""	"NSC"	"NAME"	"SMILES"	"CONFIDENTIAL_FLAG"	"MOA"	"FDA_STATUS"	"TOTAL_EXPS"	"TOTAL_EXPS_AFTER_QC"	"PUBCHEM_ID"	"CAS"
"1"	"1"	"tolylquinone"	"CC1=CC(=O)C=CC1=O"	0	NA	NA	3	2	NA	"553979"
"17"	"17"	"4-AMINO-3-PENTADECYLPHENOL"	"CCCCCCCCCCCCCCCc1cc(O)ccc1N"	0	""	""	3	3	219123	"3158552"
"89"	"89"	"(dimethylamino)propiophenone hydrochloride"	"CN(C)CCC(=O)c1ccccc1"	0	NA	NA	3	2	NA	"879721"
"185"	"185"	"Cactinomycin"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2"	0	NA	NA	2	1	NA	"66819"
"295"	"295"	"2-Phenylbutyric Acid"	"OC(=O)CCCc1ccccc1"	0	""	""	2	1	4775	"1821121"
"353"	"353"	"CHLORO-9-[[3-(DIETHYLAMINO)PROPYL]AMINO]-2-METHOXYACRIDI..."	"CCN(CC)CCCNc1c2ccc(Cl)cc2nc3ccc(OC)cc13"	0	""	""	1	1	24180741	"5336652"
"384"	"384"	"7-CHLORO-9-[[3-(DIPENTYLAMINO)PROPYL]AMINO]-1,2,3,4-TETR..."	"CCCCCN(CCCCC)CCCNc1c2CCCCc2nc3ccc(Cl)cc13"	0	""	""	1	1	54599265	"5336889"
"534"	"534"	"ACETOXYPHENANTHRYLMERCURY"	"[R][Hg]OC(=O)C.c1ccc2c(c1)ccc3ccccc23"	0	""	""	2	2	16685698	""
"596"	"596"	"3-BROMO-2,4,6-TRINITROTOLUENE"	"Cc1c(cc(c(Br)c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	219376	"5333095"
"629"	"629"	"Bioxiran"	"C1OC1C2CO2"	0	""	""	1	1	11254	"1464535"
"721"	"721"	"isatin thiosemicarbazone"	"NC(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	2	1	690109	"487161"
"739"	"739"	"AMINOPTERIN"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	"DHFR"	""	2	2	NA	"54626"
"740"	"740"	"METHOTREXATE"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"Df|DHFR"	"FDA approved"	135	76	126941	"59052"
"742"	"742"	"azaserin"	"NC(COC(=O)C=[N+]=[N-])C(=O)O"	0	""	""	5	2	460129	"115026"
"749"	"749"	"8-Azaguanine"	"NC1=NC(=O)c2[nH]nnc2N1"	0	NA	NA	4	4	NA	"134587"
"752"	"752"	"6-THIOGUANINE"	"NC1=NC(=S)c2[nH]cnc2N1"	0	"Ds|IMPDH2|IMPDH"	"FDA approved"	130	113	NA	"154427"
"755"	"755"	"6-MERCAPTOPURINE"	"S=C1N=CNc2nc[nH]c12"	0	"Ds|PPAT"	"FDA approved"	127	97	NA	"50442"
"757"	"757"	"Colchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	"FDA approved"	14	7	NA	"64868"
"762"	"762"	"Nitrogen mustard"	"CN(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	54	48	NA	"55867"
"798"	"798"	"3-PHENYL-1-(2-PYRIDYL)-2-PROPEN-1-ONE"	"O=C(\C=C\c1ccccc1)c2ccccn2"	0	NA	NA	1	1	NA	"5337531"
"830"	"830"	"4-Pyridineacrylic acid"	"OC(=O)\C=C\c1ccncc1"	0	""	""	1	1	736782	"5337791"
"885"	"885"	"3,3'-DIAMINO-4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE"	"CN(C)c1ccc(cc1N)C(=O)c2ccc(N(C)C)c(N)c2"	0	NA	NA	3	2	NA	"5340238"
"1010"	"1010"	"7-[.ALPHA.-(P-NITROANILINO)BENZYL]-8-QUINOLINOL"	"Oc1c(ccc2cccnc12)C(Nc3ccc(cc3)[N+](=O)[O-])c4ccccc4"	0	""	""	2	1	219563	"5335966"
"1011"	"1011"	"P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID"	"OC(=O)c1ccc(NC(c2ccccc2)c3ccc4cccnc4c3O)cc1"	0	""	""	2	2	219564	"5335977"
"1012"	"1012"	"wln: t66 bnj iyr&mr bvq& jq"	"OC(=O)c1ccccc1NC(c2ccccc2)c3ccc4cccnc4c3O"	0	""	""	2	1	95307	"5394354"
"1013"	"1013"	"7-(.ALPHA.-ANILINO-P-NITROBENZYL)-8-QUINOLINOL"	"Oc1c(ccc2cccnc12)C(Nc3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	219565	""
"1014"	"1014"	"7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL"	"Cc1ccnc(NC(c2ccccc2)c3ccc4cccnc4c3O)c1"	0	""	""	1	1	219566	"5335988"
"1026"	"1026"	"acpc"	"NC1(CCCC1)C(=O)O"	0	""	""	5	2	2901	"52528"
"1027"	"1027"	"1,1,3-TRIBROMO-3-METHYL-2-BUTANONE"	"CC(C)(Br)C(=O)C(Br)Br"	0	""	""	3	2	219573	"1578058"
"1063"	"1063"	"6-CHLORO-2-METHOXY-9-[(5-PIPERIDINOPENTYL)AMINO]ACRIDINE"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCN4CCCCC4)c2c1"	0	""	""	1	1	219600	""
"1199"	"1199"	"2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE"	"CC(C)(N)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C"	0	""	""	1	1	219648	"5396214"
"1338"	"1338"	"N-DECYL-2-IODOACETAMIDE"	"CCCCCCCCCCNC(=O)CI"	0	""	""	2	2	219690	"5348787"
"1390"	"1390"	"Allopurinol"	"O=C1NC=Nc2[nH]ncc12"	0	"AM|XDH"	"FDA approved"	4	2	NA	"315300"
"1393"	"1393"	"Pyrazoloadenine"	"Nc1ncnc2[nH]ncc12"	0	""	""	2	2	75420	"2380634"
"1433"	"1433"	"4-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE"	"CCCCNc1ncnc2c1cnn2c3ccccc3"	0	""	""	2	2	219760	"68380529"
"1460"	"1460"	"tryptazan"	"NC(Cc1n[nH]c2ccccc12)C(=O)O"	0	""	""	1	1	95318	"526307"
"1482"	"1482"	"2-(2-METHYL-2-NITROPROPOXY)BORNANE"	"CC(C)(CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"1507"	"1507"	"2-CHLORO-3-PHENOXY-1,4-NAPHTHOQUINONE"	"ClC1=C(Oc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	1	219799	"71369170"
"1760"	"1760"	"3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE"	"NNC(=O)CCc1ccc2ccc3ccccc3c2c1"	0	""	""	1	1	219939	"5345879"
"1771"	"1771"	"Thiram"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	2	2	NA	"137268"
"1797"	"1797"	"o-Aminoazotoluene"	"Cc1ccccc1N=Nc2ccc(N)c(C)c2"	0	NA	NA	1	1	NA	"97563"
"1895"	"1895"	"GUANAZOLE"	"Nc1n[nH]c(N)n1"	0	"A7"	""	10	2	15078	"1455772"
"1906"	"1906"	"pmp (van)"	"SC(=S)N1CCCCC1"	0	NA	NA	4	2	NA	"98771"
"1910"	"1910"	"Alkarsodyl"	"C[As](=O)(C)O"	0	NA	NA	2	1	NA	"124652"
"1945"	"1945"	"GLUCONIC ACID, BARIUM SALT"	"OCC(O)C(O)C(O)C(O)C(=O)O"	0	""	""	1	1	5351603	"5328416"
"2012"	"2012"	"1-DODECYL-4-NONYLPYRIDINIUM CHLORIDE"	"CCCCCCCCCCCC[n+]1ccc(CCCCCCCCC)cc1"	0	""	""	1	1	24180869	""
"2013"	"2013"	"declid"	"OC(=O)CCCCCCCCC=C"	0	NA	NA	5	2	NA	"112389"
"2039"	"2039"	"oxin"	"Oc1cccc2cccnc12"	0	NA	NA	1	1	NA	"148243"
"2053"	"2053"	"TRIS(4-BIPHENYLYL)METHANOL"	"OC(c1ccc(cc1)c2ccccc2)(c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	219999	"5341140"
"2061"	"2061"	"3-(2-furyl)acrolein"	"O=C\C=C\c1occc1"	0	NA	NA	1	1	NA	"623303"
"2186"	"2186"	"thymophthalein"	"CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(O)cc4C"	0	""	""	2	1	31316	"125202"
"2384"	"2384"	"2,6-dibenzylidenecyclohexanone"	"O=C1\C(=C\c2ccccc2)\CCC/C/1=C\c3ccccc3"	0	NA	NA	4	2	NA	"897789"
"2604"	"2604"	"D.b.t.c."	"CCCC[Sn](Cl)(Cl)CCCC"	0	""	""	2	1	12688	"683181"
"2626"	"2626"	"Propyl Gallate"	"CCCOC(=O)c1cc(O)c(O)c(O)c1"	0	""	""	1	1	4947	"121799"
"2724"	"2724"	"phenyl p-tolyl sulfone"	"Cc1ccc(cc1)S(=O)(=O)c2ccccc2"	0	NA	NA	1	1	NA	"640573"
"2755"	"2755"	"avlon"	"C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	NA	"86408"
"2785"	"2785"	"QAICTYKDANKDKI-UHFFFAOYSA-N"	"COc1cc(c2ncccc2c1O)[N+](=O)[O-]"	0	""	""	1	1	135399288	"5323580"
"2805"	"2805"	"2,2',5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl"	"Cc1cc(O)c(cc1O)c2cc(O)c(C)cc2O"	0	""	""	2	2	220284	"4371340"
"2829"	"2829"	"vetol"	"CC1=C(O)C(=O)C=CO1"	0	NA	NA	1	1	NA	"118718"
"3039"	"3039"	"SODIUM PHENYLACETATE"	"[Na+].OC(=O)Cc1ccccc1"	0	NA	NA	1	1	NA	"114705"
"3053"	"3053"	"Actinomycin D"	"CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O"	0	"Db"	"FDA approved"	132	92	NA	"50760"
"3055"	"3055"	"puromycin"	"COc1ccc(C[C@H](N)C(=O)NC2C(CO)OC(C2O)n3cnc4c(ncnc34)N(C)C)cc1"	0	NA	NA	1	1	NA	"58582"
"3060"	"3060"	"Potassium arsenite"	"[K+].O[As]=O"	0	NA	NA	2	1	NA	"10124502"
"3061"	"3061"	"malacid"	"CCc1nc(N)nc(N)c1c2ccc(Cl)cc2"	0	"DHFR"	"FDA approved"	2	2	NA	"58140"
"3062"	"3062"	"Etoprine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	29142	"18588573"
"3073"	"3073"	"facid"	"NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2N1"	0	NA	NA	1	1	NA	"59303"
"3074"	"3074"	"Chlorazin"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2"	0	NA	NA	1	1	NA	"152534"
"3077"	"3077"	"D 54"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2"	0	NA	NA	2	2	NA	"17711818"
"3080"	"3080"	"d 69"	"CC1(C)N=C(N)N=C(N)N1c2cccc(Cl)c2"	0	NA	NA	1	1	NA	"1931197"
"3081"	"3081"	""	"CCCCCCC1N=C(N)N=C(N)N1c2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"3082"	"3082"	"x 49"	"CC1(C)N=C(N)N=C(N)N1c2cccc(Br)c2"	0	NA	NA	2	2	NA	"4514527"
"3083"	"3083"	"1-(3-Chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride"	"CCCCCCC1N=C(N)N=C(N)N1c2cccc(Cl)c2"	0	""	""	2	2	24180956	"5337962"
"3088"	"3088"	"Chlorambucil"	"OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	130	102	NA	"305033"
"3090"	"3090"	"badil"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	""	"FDA approved"	1	1	NA	"548629"
"3091"	"3091"	"Methyl green"	"[Cl-].[Br-].CC[N+](C)(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	NA	NA	1	1	NA	"14855766"
"3093"	"3093"	"crude pyronine b"	"CCN(CC)c1ccc2C=C3C=CC(=[N+](CC)CC)C=C3Oc2c1.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	NA	NA	1	1	NA	""
"3094"	"3094"	"PDMT"	"CN(C)N=Nc1ccccc1"	0	""	""	1	1	23654	"7227910"
"3262"	"3262"	"2,5-Bis(ethylamino)hydroquinone"	"Oc1cc(N2CC2)c(O)cc1N3CC3"	0	""	""	2	2	94797	"2588343"
"3265"	"3265"	""	"Clc1ccc(\C=C\c2ccc3ccccc3n2)cc1"	0	NA	NA	2	2	NA	"5392198"
"3284"	"3284"	"wln: t6nj c- bt5ktj a1 a2- at5ktj a1 b- ct6nj &q 2 &i 2"	"C[N+]1(CC[N+]2(C)CCCC2c3cccnc3)CCCC1c4cccnc4"	0	NA	NA	1	1	NA	"5392303"
"3298"	"3298"	"Phenol, 2-methoxy-4-(2-nitropropenyl)-"	"COc1cc(\C=C(\C)/[N+](=O)[O-])ccc1O"	0	NA	NA	1	1	NA	"5395471"
"3424"	"3424"	"quinacrine mustard"	"COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1"	0	NA	NA	2	2	NA	"4213450"
"3531"	"3531"	"clioquinol"	"Oc1c(I)cc(Cl)c2cccnc12"	0	NA	NA	1	1	NA	"130267"
"3618"	"3618"	"4-N-(7-Chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine"	"Clc1ccc2c(NC3CCC(CC3)NC4CCCCC4)ccnc2c1"	0	""	""	1	1	220625	""
"3628"	"3628"	""	"CCN(CC)c1ccc(NC(C(=O)c2ccccc2)c3ccccc3)cc1"	0	NA	NA	1	1	NA	"5342632"
"3799"	"3799"	"AI3-08904"	"[O-][N+](=O)c1cccc(\C=C\C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])c1"	0	""	""	1	1	6436750	"621216"
"3808"	"3808"	"2,4-dinitrobromobenzene"	"[O-][N+](=O)c1ccc(Br)c(c1)[N+](=O)[O-]"	0	""	""	2	2	11441	"584485"
"3840"	"3840"	"Chloro-(5-chlorothiophen-2-yl)mercury"	"Cl[Hg]c1ccc(Cl)s1"	0	""	""	2	2	407288	""
"3847"	"3847"	"1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one"	"CCC(=O)c1cc(c(Br)s1)[N+](=O)[O-]"	0	""	""	1	1	220712	""
"3852"	"3852"	"Hydron III"	"Oc1ccc(N=O)c2cccnc12"	0	""	""	2	2	19103	"3565262"
"3877"	"3877"	""	"c1cc[n+](cc1)C2c3ccccc3C(c4ccccc24)[n+]5ccccc5"	0	NA	NA	2	2	NA	"69282162"
"3905"	"3905"	"tripyridyl"	"c1ccc(nc1)c2cccc(n2)c3ccccn3"	0	NA	NA	1	1	NA	"1148794"
"3907"	"3907"	"Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1)..."	"Oc1cccc2cccnc12"	0	""	""	2	2	142766	"2439078"
"3927"	"3927"	"thiolutin"	"CN1C(=O)C(=C2SSC=C12)NC(=O)C"	0	""	""	2	1	6870	"87116"
"3941"	"3941"	""	"C\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6974465"
"3970"	"3970"	"pyrod"	"O=C1NC=CC(=O)N1"	0	NA	NA	5	2	NA	"66228"
"4045"	"4045"	"auramin"	"CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	NA	NA	1	1	NA	"2465272"
"4060"	"4060"	"urson"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(=O)O"	0	""	""	1	1	64945	"77521"
"4112"	"4112"	"Fenticlor"	"Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O"	0	NA	NA	1	1	NA	"97245"
"4114"	"4114"	"Morpholine-N-dithiocarbamate"	"SC(=S)N1CCOCC1"	0	""	""	4	2	72675	"5327106"
"4170"	"4170"	"kipca"	"CC1=CC(=O)c2ccccc2C1=O"	0	NA	NA	2	1	NA	"58275"
"4184"	"4184"	"p,p'-Dihydroxystilbene"	"Oc1ccc(\C=C\c2ccc(O)cc2)cc1"	0	""	""	2	2	5282363	"659223"
"4232"	"4232"	"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid"	"OC(=O)c1cccc(NC(C(=O)c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	220828	"5397568"
"4236"	"4236"	"4m2o"	"CN(C)c1ccc(\C=C\c2ccnc3ccccc23)cc1"	0	""	""	2	2	668053	"897552"
"4238"	"4238"	"2m2m"	"CN(C)c1ccc(\C=C\c2ccc3ccccc3[n+]2C)cc1"	0	NA	NA	1	1	NA	"3915615"
"4239"	"4239"	"4m2m"	"CN(C)c1ccc(\C=C\c2cc[n+](C)c3ccccc23)cc1"	0	NA	NA	2	2	NA	"20327086"
"4265"	"4265"	"Phenanthroline hydrochloride"	"c1cnc2c(c1)ccc3cccnc23"	0	NA	NA	2	2	NA	"3829865"
"4272"	"4272"	"5-methylphenanthroline"	"Cc1cc2cccnc2c3ncccc13"	0	""	""	1	1	72791	"3002786"
"4280"	"4280"	"neocuproin"	"Cc1ccc2ccc3ccc(C)nc3c2n1"	0	""	""	2	2	65237	"484117"
"4281"	"4281"	"4,7-Dimethyl-o-phenanthroline"	"Cc1ccnc2c1ccc3c(C)ccnc23"	0	""	""	1	1	72792	"3248053"
"4285"	"4285"	"STK862428"	"ClC1=C(Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	14161	"1090160"
"4290"	"4290"	"1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide"	"CCCCCc1cc[n+](CC(=O)c2ccc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	24181037	"5397955"
"4291"	"4291"	"Masoprocol"	"CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2"	0	""	"FDA approved"	2	2	NA	"500389"
"4320"	"4320"	"strophanthin"	"COC1CC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)OC(C)C1OC7OC(CO)C(O)C(O)C7O"	0	NA	NA	3	1	NA	"560532"
"4375"	"4375"	"Hydroxychloroquine Sulfate"	"CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12"	0	"Immunomodulatory"	"FDA approved"	1	1	NA	"747364"
"4378"	"4378"	"1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride"	"CCN(CC)CC(O)c1cc(nc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	2	1	24181064	""
"4432"	"4432"	"genacryl pink g"	"CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	1	1	6433371	"3648360"
"4434"	"4434"	"nabor orange r"	"C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15"	0	NA	NA	2	2	NA	"4657005"
"4483"	"4483"	"omadine sodium"	"[O-][n+]1ccccc1S"	0	NA	NA	1	1	NA	"3811732"
"4512"	"4512"	"2-Iodo-3-(phenylsulfonyl)propanenitrile"	"IC(CS(=O)(=O)c1ccccc1)C#N"	0	""	""	1	1	220946	""
"4518"	"4518"	"Bis(4-amino-3-bromophenyl)methanone"	"Nc1ccc(cc1Br)C(=O)c2ccc(N)c(Br)c2"	0	""	""	2	2	220951	"5398618"
"4582"	"4582"	"(1Z,4E)-1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one"	"Oc1ccc(Br)cc1\C=C\C(=O)\C=C\c2cc(Br)ccc2O"	0	""	""	1	1	54603154	"6291005"
"4623"	"4623"	"1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl- (9CI)"	"OC(=O)c1nc([nH]c1C(=O)O)c2ccccc2"	0	""	""	2	2	221007	"888608"
"4644"	"4644"	"Betulin"	"CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12"	0	NA	NA	1	1	NA	"473983"
"4681"	"4681"	"2-[4-(Carboxymethoxy)phenoxy]acetic acid"	"OC(=O)COc1ccc(OCC(=O)O)cc1"	0	""	""	1	1	24181093	"5393293"
"4698"	"4698"	""	"CC(C)c1cc(SC#N)c(C)cc1O"	0	NA	NA	1	1	NA	"6074313"
"4722"	"4722"	"aloin"	"OCc1cc(OCC(O)C(O)C(O)C=O)c2C(=O)c3ccccc3C(=O)c2c1"	0	""	"FDA approved"	4	1	221037	""
"4728"	"4728"	"Aminothiadiazole"	"Nc1nncs1"	0	""	""	10	3	19909	"4005510"
"4810"	"4810"	""	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccccc23)c(c1)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"2058711"
"4844"	"4844"	"N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	24181101	"2932516"
"4857"	"4857"	"dedc"	"[Na+].CCN(CC)C(=S)S"	0	NA	NA	2	1	NA	"148185"
"4896"	"4896"	"quinalizarin"	"Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O"	0	NA	NA	1	1	NA	"81618"
"4911"	"4911"	"Thioinosine"	"OCC1OC(C(O)C1O)n2cnc3C(=S)N=CNc23"	0	NA	NA	2	2	NA	"574254"
"4962"	"4962"	"p-Toluhydroquinol"	"Cc1cc(O)ccc1O"	0	NA	NA	1	1	NA	"95716"
"4972"	"4972"	"tbhq"	"CC(C)(C)c1cc(O)ccc1O"	0	""	""	3	2	16043	"1948330"
"5006"	"5006"	"C.I. 42510 acetate"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	1	1	NA	"6035956"
"5011"	"5011"	"Brilliant Green"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3"	0	NA	NA	1	1	NA	"633034"
"5019"	"5019"	"violet bnp"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)Cc3cccc(c3)S(=O)(=O)O)C=C2)c4ccc(cc4)N(CC)Cc5cccc(c5)S(=O)(=O)O"	0	NA	NA	2	2	NA	"4129844"
"5031"	"5031"	"D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihyd..."	"Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OCC3OC(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)C(OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)C(OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)C3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10"	0	""	""	1	1	16129878	"72401537"
"5048"	"5048"	"magneson ii"	"Oc1ccc(N=Nc2ccc(cc2)[N+](=O)[O-])c3ccccc13"	0	""	""	1	1	79174	"5290620"
"5053"	"5053"	"tptz"	"c1ccc(cc1)c2n[n+](c3ccccc3)n(n2)c4ccccc4"	0	""	""	2	2	9283	"298964"
"5062"	"5062"	"allyliodourotropine"	"C=CC[N+]12CN3CN(CN(C3)C1)C2"	0	NA	NA	1	1	NA	"36895622"
"5066"	"5066"	"2,4-Dihydroxy-6-methyl-4'-nitroazobenzene"	"Cc1cc(O)cc(O)c1N=Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	69095	"607965"
"5113"	"5113"	"POMIFERIN"	"CC(=CCc1c(O)c2C(=O)C(=COc2c3C=CC(C)(C)Oc13)c4ccc(O)c(O)c4)C"	0	""	""	2	2	4871	"572032"
"5159"	"5159"	"chartreusin"	"COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C(O)C2O)C1O"	0	NA	NA	8	5	NA	"6377180"
"5192"	"5192"	"5,6-Chrysenedione"	"O=C1C(=O)c2c(ccc3ccccc23)c4ccccc14"	0	""	""	1	1	16317	"2051107"
"5200"	"5200"	"py 40"	"NC1=NC(=O)C(=C(N)N1)N=Nc2ccccc2"	0	""	""	1	1	135403411	"3054704"
"5206"	"5206"	"1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride"	"CCCCCCCCCCCC1N=C(N)N=C(N)N1c2cccc(Br)c2"	0	""	""	2	2	24181145	"6333477"
"5278"	"5278"	"olpizan"	"[O-][N+](=O)c1cc(Cl)c(Cl)c(c1Cl)[N+](=O)[O-]"	0	""	""	1	1	17584	"2678219"
"5283"	"5283"	"chlorotriethyltin"	"CC[Sn](Cl)(CC)CC"	0	""	""	1	1	13820	"994310"
"5332"	"5332"	"pan (van)"	"Oc1ccc2ccccc2c1N=Nc3ccccn3"	0	""	""	2	2	6825	"85858"
"5337"	"5337"	"vancide 26"	"CCCCCCCCCCCC[n+]1ccccc1.Clc2ccc3SC(=S)[N-]c3c2"	0	""	""	2	2	79411	"5406973"
"5347"	"5347"	"(o-carboxyphenylthio)acetic acid"	"OC(=O)CSc1ccccc1C(=O)O"	0	NA	NA	1	1	NA	"135137"
"5355"	"5355"	"Berberal"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	2	2	NA	"316416"
"5364"	"5364"	"cinchonidine"	"OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34"	0	""	"FDA approved"	1	1	NA	"485712"
"5366"	"5366"	"Noscapine"	"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34"	0	""	"FDA approved"	1	1	NA	"128621"
"5417"	"5417"	"1-Naphthalenol, 4-nitroso- (9CI)"	"Oc1ccc(N=O)c2ccccc12"	0	NA	NA	1	1	NA	"605607"
"5418"	"5418"	"p-Nitroso-N,N-diethylaniline"	"CCN(CC)c1ccc(cc1)N=O"	0	""	""	1	1	67115	"120229"
"5425"	"5425"	"9,10-Phenanthrenedione, 2-nitro- (9CI)"	"[O-][N+](=O)c1ccc2c(c1)C(=O)C(=O)c3ccccc23"	0	NA	NA	1	1	NA	"604955"
"5485"	"5485"	"1,3-Bis(7-chloroquinolin-4-ylamino)propan-2-ol"	"OC(CNc1ccnc2cc(Cl)ccc12)CNc3ccnc4cc(Cl)ccc34"	0	""	""	1	1	221231	"6285241"
"5491"	"5491"	"Ethyl red"	"CCN1C=C\C(=C/c2ccc3ccccc3[n+]2CC)\c4ccccc14"	0	NA	NA	1	1	NA	"634219"
"5550"	"5550"	"Malachite green oxalate"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.OC(=O)C(=O)O.[O-]C(=O)C(=O)[O-]"	0	""	""	4	2	407450	"4366318"
"5551"	"5551"	"wln: t b566 ck esj c1 d1u1r dn1&1 &i"	"CN(C)c1ccc(\C=C\c2sc3ccc4ccccc4c3[n+]2C)cc1"	0	""	""	2	1	6433478	"6285354"
"5620"	"5620"	"2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid"	"OC(=O)CC1(CC(=O)O)Nc2ccccc2SC1=O"	0	""	""	1	1	221258	"6289185"
"5639"	"5639"	"phenylbenzophenone"	"O=C(c1ccccc1)c2ccccc2c3ccccc3"	0	""	""	1	1	407452	"1985326"
"5648"	"5648"	"thonzide"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2"	0	NA	NA	2	1	NA	"553082"
"5703"	"5703"	"5-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]isoquinoline"	"COc1cc(cc(OC)c1OC)c2nccc3cc4OCOc4cc23"	0	""	""	1	1	221307	"6289710"
"5705"	"5705"	"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate"	"COC(=O)c1cc(O)c2cc3OCOc3cc2c1c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	221309	"6289721"
"5816"	"5816"	"wln: gr dmyus&mvr"	"Clc1ccc(NC(=S)NC(=O)c2ccccc2)cc1"	0	""	""	2	1	701011	"4921839"
"5889"	"5889"	"l-Usnic acid"	"CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O"	0	NA	NA	5	2	NA	""
"5890"	"5890"	"D-Usnic acid"	"CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O"	0	NA	NA	5	2	NA	""
"5896"	"5896"	"Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol"	"COc1cc(N=Nc2ccc(O)c3ncccc23)c4ncccc4c1"	0	""	""	1	1	135436503	""
"5907"	"5907"	"Acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline"	"COc1ccc2nccc(\C=C\c3ccnc4ccc(OC)cc34)c2c1"	0	""	""	2	1	16682406	"6281852"
"5908"	"5908"	"9-(6-Methoxy-3,4-dihydro-2H-quinolin-1-yl)acridine"	"COc1ccc2N(CCCc2c1)c3c4ccccc4nc5ccccc35"	0	""	""	1	1	221375	"5461472"
"5920"	"5920"	"4-[[4-(Dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine"	"COc1cc(N=Nc2cc(Cc3ccc(cc3)N(C)C)c(N)cc2N(C)C)c4ncccc4c1"	0	""	""	1	1	407487	""
"6145"	"6145"	"1,2-Dibenzoylbenzene"	"O=C(c1ccccc1)c2ccccc2C(=O)c3ccccc3"	0	""	""	1	1	70875	"1159860"
"6152"	"6152"	"Chrysarobin"	"Cc1cc(O)c2cc3c(O)c(O)ccc3cc2c1"	0	NA	NA	2	2	NA	""
"6171"	"6171"	"cineol"	"CC12CCC(CC1)C(C)(C)O2"	0	NA	NA	6	3	NA	"470826"
"6176"	"6176"	"cinchonine"	"O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34"	0	NA	NA	1	1	NA	"118105"
"6266"	"6266"	"dibenzoylmethane"	"O=C(CC(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	8433	"120467"
"6278"	"6278"	"2-aminonaphthiazole"	"Nc1nc2c(ccc3ccccc23)s1"	0	""	""	1	1	94880	"40172654"
"6386"	"6386"	"bialamicol"	"CCN(CC)Cc1cc(cc(CC=C)c1O)c2cc(CC=C)c(O)c(CN(CC)CC)c2"	0	NA	NA	4	2	NA	"3624962"
"6396"	"6396"	"Thiotepa"	"S=P(N1CC1)(N2CC2)N3CC3"	0	"A7|AlkAg"	"FDA approved"	136	114	NA	"52244"
"6477"	"6477"	"nf 23"	"CCOC(=O)\C=C\c1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	899314	"1874120"
"6777"	"6777"	"ALBB-024793"	"[O-][N+](=O)c1cc(Br)cc2c3cc(Br)ccc3[nH]c12"	0	""	""	1	1	221765	"5416228"
"6814"	"6814"	"erucic acid"	"CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O"	0	NA	NA	5	1	NA	"112867"
"6883"	"6883"	"72I9A2I712"	"[O-][N+](=O)c1cccc(Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	221812	"2548972"
"6891"	"6891"	"N-(4-Bromophenyl)-3,4-dichlorobenzamide"	"Clc1ccc(cc1Cl)C(=O)Nc2ccc(Br)cc2"	0	""	""	2	1	221819	""
"6926"	"6926"	""	"O=C(NNc1ccccc1)C(=O)NNc2ccccc2"	0	NA	NA	1	1	NA	"3030759"
"7215"	"7215"	"tetraaminoditolylmethane"	"Cc1cc(Cc2cc(C)c(N)cc2N)c(N)cc1N"	0	NA	NA	1	1	NA	"97223"
"7223"	"7223"	"chrome black t"	"[Na+].Oc1cc(c2cc(ccc2c1N=Nc3ccc4ccccc4c3O)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	4	2	NA	"1787617"
"7233"	"7233"	"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione"	"Brc1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(Br)ccc7c8ccc(c9ccc2c3c49)c5c68"	0	""	""	1	1	222032	"76415413"
"7354"	"7354"	"6-hydrazinopurine"	"N\N=C\1/N=CNc2nc[nH]c12"	0	""	""	2	2	94902	"5404864"
"7359"	"7359"	"xylosyl a"	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	NA	"524696"
"7364"	"7364"	"ddmp"	"Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2"	0	NA	NA	3	2	NA	"7761457"
"7365"	"7365"	"Diazooxonorleucine"	"NC(CCC(=O)C=[N+]=[N-])C(=O)O"	0	NA	NA	12	4	NA	"157039"
"7376"	"7376"	""	"COc1cc(\C=C\[N+](=O)[O-])ccc1O"	0	NA	NA	1	1	NA	"6178423"
"7389"	"7389"	"phenanthraquinone"	"O=C1C(=O)c2ccccc2c3ccccc13"	0	NA	NA	1	1	NA	"84117"
"7390"	"7390"	""	"COc1ccc(\C=C\[N+](=O)[O-])cc1OC"	0	NA	NA	1	1	NA	"4230937"
"7420"	"7420"	"5-Bromo-3-cyclohexyl-2-hydroxybenzamide"	"NC(=O)c1cc(Br)cc(C2CCCCC2)c1O"	0	""	""	1	1	222105	"6284500"
"7436"	"7436"	"Sulfanilanilide, 4'-tert-butyl-"	"CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1"	0	""	""	1	1	222114	""
"7519"	"7519"	"BUPHANIDRINE, PERCHLORATE"	"COC1CC2N3CCC2(C=C1)c4cc5OCOc5c(OC)c4C3"	0	""	""	1	1	457798	""
"7521"	"7521"	"simeon"	"CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O"	0	NA	NA	9	2	NA	"466068"
"7525"	"7525"	"transvaalin"	"CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(OC7OC(CO)C(O)C(O)C7O)C1O"	0	""	""	6	1	222156	"124992"
"7529"	"7529"	"digimed"	"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C"	0	NA	NA	3	1	NA	"71636"
"7530"	"7530"	"strophanthoside-k"	"COC1CC(O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(C)C1OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O"	0	NA	NA	2	2	NA	"33279571"
"7532"	"7532"	"Adigal"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(CCC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	NA	"17575201"
"7533"	"7533"	"Allocor"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	NA	"17575223"
"7534"	"7534"	"SCILLIROSIDIN, GLYCOSIDE"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)CCC(O)C=C15"	0	""	""	10	5	222160	"507595"
"7535"	"7535"	"lanatoside b"	"CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(C(O)CC78O)C9=CC(=O)OC9)C5"	0	NA	NA	2	2	NA	"17575212"
"7606"	"7606"	"Alantan"	"NC(=O)NC1NC(=O)NC1=O"	0	NA	NA	1	1	NA	"97596"
"7757"	"7757"	"Bornyl cinnamate"	"CC1(C)[C@@H]2CC[C@]1(C)[C@@H](C2)OC(=O)\C=C\c3ccccc3"	0	NA	NA	1	1	NA	"6330672"
"7801"	"7801"	"mauve"	"Cc1ccc(cc1)[n+]2c3cc(N)c(C)cc3nc4cc(C)c(Nc5ccccc5)cc24"	0	""	""	2	2	407617	"6373224"
"7811"	"7811"	"Bindschedler's green"	"CN(C)c1ccc(cc1)N=C2C=CC(=[N+](C)C)C=C2"	0	""	""	1	1	73516	"4486059"
"7813"	"7813"	"Brilliant Cresyl Blue"	"CCN(CC)c1cc2OC3=CC(=N)C=C(N)C3=Nc2cc1C"	0	""	""	1	1	24181324	""
"7821"	"7821"	"capri blue"	"CCN(CC)c1cc2[o+]c3cc(ccc3nc2cc1C)N(C)C"	0	""	""	1	1	102162	"1787571"
"7833"	"7833"	"krisolamine"	"Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	1	1	NA	"128950"
"7853"	"7853"	"2,6-Dichloro-7-methylpurine"	"Cn1cnc2nc(Cl)nc(Cl)c12"	0	""	""	1	1	75281	"2273930"
"8101"	"8101"	"Inosite"	"OC1C(O)C(O)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"6917357"
"8117"	"8117"	"erycorbin"	"OCC(O)C1OC(=O)C(=C1O)O"	0	NA	NA	1	1	NA	"89656"
"8120"	"8120"	"mycoin"	"OC1OCC=C2OC(=O)C=C12"	0	NA	NA	5	5	NA	"149291"
"8174"	"8174"	"Phenylbiguanide mbt-salt"	"NC(=N)NC(=N)Nc1ccccc1.S=C2Nc3ccccc3S2"	0	""	""	1	1	3034162	"5437116"
"8179"	"8179"	""	"NC(=O)Nc1n[nH]c(n1)c2ccccc2"	0	NA	NA	1	1	NA	"6642326"
"8360"	"8360"	"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine"	"CCN(CC)CCCC(Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13)c4ccc(F)cc4"	0	""	""	1	1	222439	"3870437"
"8552"	"8552"	"9-Chlorophenanthrene"	"Clc1cc2ccccc2c3ccccc13"	0	""	""	1	1	13694	"947728"
"8643"	"8643"	"gallamine blue"	"CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)N"	0	""	""	1	1	135436514	"1563026"
"8672"	"8672"	"hofmann's violet"	"CCNc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N(CC)CC)c(C)c3"	0	""	""	1	1	24181402	""
"8673"	"8673"	"iodine green"	"CN(C)c1ccc(cc1C)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C"	0	""	""	1	1	54605107	"33231004"
"8675"	"8675"	"ethyl violet"	"CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC"	0	""	""	2	1	16955	"2390592"
"8704"	"8704"	"dyodin"	"Oc1c(I)cc(I)c2cccnc12"	0	NA	NA	1	1	NA	"83738"
"8786"	"8786"	"diacetoxybutyltin"	"CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C"	0	""	""	2	2	16682740	"1067330"
"8806"	"8806"	"Melphalan"	"N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O"	0	"A7|AlkAg"	"FDA approved"	51	42	NA	"3223072"
"8974"	"8974"	"Bis(4-bromophenyl)iodanium;hydroiodide"	"Brc1ccc([I+]c2ccc(Br)cc2)cc1"	0	""	""	1	1	54609012	""
"8982"	"8982"	"Diphenyliodanium;2,4,6-trinitrophenol"	"[I+](c1ccccc1)c2ccccc2"	0	""	""	1	1	24181416	"6293658"
"8985"	"8985"	"Di-p-tolyliodinium bromide"	"Cc1ccc([I+]c2ccc(C)cc2)cc1"	0	NA	NA	1	1	NA	"6293681"
"8994"	"8994"	"Bis(4-tert-butylphenyl)iodanium;hydrochloride"	"CC(C)(C)c1ccc([I+]c2ccc(cc2)C(C)(C)C)cc1"	0	""	""	1	1	54602012	"5421534"
"8995"	"8995"	"rot c"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccccc4"	0	NA	NA	1	1	NA	"85869"
"9037"	"9037"	"3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(o-hydroxy-phenyl)-"	"OC1=CC2=C(c3ccccc3O)c4cc(O)c(O)cc4OC2=CC1=O"	0	""	""	1	1	72722	"3569822"
"9168"	"9168"	"fumidil"	"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C/C(=O)O"	0	NA	NA	3	1	NA	"23110158"
"9170"	"9170"	"thiocolciran"	"COc1cc2CC[C@H](N)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	5	2	17649	"2731160"
"9291"	"9291"	"naphthol blue (van)"	"CN(C)c1ccc2nc3c(ccc4ccccc34)[o+]c2c1"	0	""	""	2	1	101929	"966621"
"9358"	"9358"	"pada"	"CN(C)c1ccc(cc1)N=Nc2ccccn2"	0	""	""	1	1	81528	"13103758"
"9403"	"9403"	"methylene green (van)"	"CN(C)c1ccc2nc3ccc(N(C)C)c(c3[s+]c2c1)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"2679018"
"9404"	"9404"	"safranin bluish"	"CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	2	2	NA	"2390569"
"9594"	"9594"	"safranin bluish"	"CN(C)c1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	1	1	NA	"2390569"
"9598"	"9598"	"Azur I"	"CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	""	1	1	68275	"531555"
"9605"	"9605"	"methylene blue nn"	"CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C"	0	NA	NA	1	1	NA	"1934163"
"9608"	"9608"	"1-(naphthalen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-..."	"OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1c4ccc5ccccc5c4"	0	""	""	1	1	222760	""
"9609"	"9609"	"janus red"	"Cc1cc(ccc1N=Nc2cccc(c2)[N+](C)(C)C)N=Nc3c(O)ccc4ccccc34"	0	NA	NA	3	2	NA	"2636319"
"9610"	"9610"	"janus black"	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)\N=N\c5ccc(O)cc5"	0	""	""	1	1	135436529	"4443996"
"9612"	"9612"	"nile blue bb"	"CCN(CC)c1ccc2nc3c(cc(NCc4ccccc4)c5ccccc35)[o+]c2c1"	0	""	""	2	1	20520	"4451881"
"9665"	"9665"	"gelcohol"	"CO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C"	0	""	""	1	1	222778	"108102518"
"9667"	"9667"	"N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate"	"CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCc1ccc(OCCOCC[N+](C)(C)CC)cc1"	0	""	""	1	1	24181516	"6292315"
"9704"	"9704"	"lutex"	"CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	NA	"57830"
"9706"	"9706"	"Triethylenemelamine"	"C1CN1c2nc(nc(n2)N3CC3)N4CC4"	0	"A7|AlkAg"	"FDA approved"	128	117	5799	"51183"
"9768"	"9768"	"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol"	"Oc1ccc(Cl)cc1Cc2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	222840	"5419534"
"9771"	"9771"	"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol"	"CCCC(C)c1cc(Cc2cc(Cl)cc(Cl)c2O)c(O)c(Cc3cc(Cl)cc(Cl)c3O)c1"	0	""	""	1	1	222841	""
"9853"	"9853"	"orange y"	"[Na+].Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O"	0	NA	NA	2	1	NA	"633965"
"9855"	"9855"	"phenosafranin"	"Nc1ccc2nc3ccc(N)cc3[n+](c4ccccc4)c2c1"	0	NA	NA	1	1	NA	"81936"
"9856"	"9856"	"red oil"	"CCCCCCCC\C=C/CCCCCCCC(=O)O"	0	""	""	5	1	445639	"112801"
"9858"	"9858"	"new fuchsin"	"CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N"	0	NA	NA	2	2	NA	"3248917"
"9921"	"9921"	"pentamide"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	4735	"100334"
"9936"	"9936"	"kutizon"	"CC(C)c1ccc(\C=N\NC(=S)N)cc1"	0	NA	NA	1	1	NA	"3811209"
"9951"	"9951"	"decyltrimethylammonium bromide"	"CCCCCCCCCC[N+](C)(C)C"	0	""	""	1	1	16388	"2082840"
"10010"	"10010"	"N,N-Bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- non..."	"COc1ccc2nc(C)cc(NCCCCCCCCCNc3cc(C)nc4ccc(OC)cc34)c2c1"	0	NA	NA	3	3	NA	"6286095"
"10018"	"10018"	"benzimidazole, 1-dodecyl-2-methyl-, hydrobromide"	"CCCCCCCCCCCCn1c(C)nc2ccccc12"	0	NA	NA	1	1	NA	""
"10036"	"10036"	"2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	1	1	222938	""
"10037"	"10037"	"N-(7-Chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	222939	"6286255"
"10438"	"10438"	"resazoin"	"Oc1ccc2c(OC3=CC(=O)C=CC3=[N+]2[O-])c1"	0	NA	NA	2	2	NA	"550823"
"10460"	"10460"	"p-Fuchsin"	"Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	4	3	NA	"569619"
"10466"	"10466"	"Basic Fuchsin"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	NA	NA	2	2	NA	"632995"
"10483"	"10483"	"Desoximetasone"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	""	2	2	5754	"50237"
"10492"	"10492"	"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-dieth..."	"CCN(CC)CCCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	"5418597"
"10517"	"10517"	"2m2pm"	"CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1"	0	NA	NA	1	1	NA	"2156298"
"10520"	"10520"	"2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide"	"C[n+]1c(\C=C\c2ccc(Cl)cc2)ccc3ccccc13"	0	""	""	1	1	54598850	"5418779"
"10526"	"10526"	""	"CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1"	0	NA	NA	1	1	NA	"20064839"
"10534"	"10534"	"1,3,3-Trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide"	"C[N+]1=C(\C=C\C=C\c2ccccc2)C(C)(C)c3ccccc13"	0	""	""	1	1	54609031	"5418859"
"10535"	"10535"	""	"CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	NA	NA	1	1	NA	"6307035"
"10587"	"10587"	"1-Naphthalenemethanol, .alpha.-[2-(dibutylamino)-1,1-dim..."	"CCCCN(CCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12"	0	""	""	1	1	24181636	"5414584"
"10594"	"10594"	"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride"	"CCN(CC)CCC(CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	24181641	"5414631"
"10641"	"10641"	"1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride"	"CCCCCN(CCCCC)CC(O)c1cc(Cl)ccc1OC"	0	""	""	1	1	24181655	""
"10660"	"10660"	"1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride"	"CCCCCN(CCCCC)CC(O)c1ccc(Cl)c2ccccc12"	0	""	""	1	1	24181664	""
"10667"	"10667"	"phenothiazin-5-ium (9ci), 7-(dibutylamino)-3-(diethylami..."	"CCCCN(CCCC)c1ccc2nc3c(C)cc(cc3[s+]c2c1)N(CC)CC"	0	""	""	1	1	24181669	"6285832"
"10721"	"10721"	"Cortef fluid"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)CCC5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	""	1	1	223253	"508996"
"10848"	"10848"	"ALBB-015765"	"Oc1cccc2c3OC(=O)C4=C(CCCC4)c3ccc12"	0	""	""	1	1	223320	"5408468"
"11051"	"11051"	""	"CCCCN(CCCC)CCCCNc1c(C)cnc2cc(Cl)ccc12"	0	NA	NA	1	1	NA	""
"11216"	"11216"	"Indophenol, 2,6-dibromo-, monosodium salt"	"Oc1ccc(cc1)N=C2C=C(Br)C(=O)C(=C2)Br"	0	NA	NA	1	1	NA	"5415236"
"11225"	"11225"	"klot"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	NA	"92319"
"11232"	"11232"	"sudan r"	"COc1ccccc1N=Nc2c(O)ccc3ccccc23"	0	NA	NA	2	2	NA	"1229556"
"11235"	"11235"	"thioflavine"	"CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C"	0	""	""	2	2	16953	"2390547"
"11240"	"11240"	"basic blue k"	"CCNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C)c4ccccc14"	0	""	""	2	2	16599	"2185866"
"11241"	"11241"	"sudan red"	"[Cl-].[Cl-].Nc1cc2c(nc3c4ccccc4ccc3[n+]2c5cccc6ccccc56)c7ccccc17.Nc8cc9c(nc%10c%11ccccc%11c(N)cc%10[n+]9c%12cccc%13ccccc%12%13)c%14ccccc8%14"	0	""	""	2	2	11980862	""
"11420"	"11420"	"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol"	"CCCCCN(CCCCC)CC(C)(C)C(O)c1ccc(OC)c2ccccc12"	0	""	""	1	1	223647	"6288466"
"11452"	"11452"	"ANTINEOPLASTIC-11452"	"O=[As]c1ccc(cc1)S(=O)(=O)Nc2ccccc2"	0	""	""	1	1	223660	""
"11461"	"11461"	"Usaf Sn-31"	"CN(C)C(=S)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	6967	"89372"
"11511"	"11511"	"NIOSH/GY7277500"	"CC1C(=O)C(=C(c2ccccc2)C1(O)c3ccccc3)C"	0	""	""	1	1	223673	"5423063"
"11590"	"11590"	"9AD2B660I3"	"OCCNc1ncnc2nc[nH]c12"	0	""	""	1	1	20684	"4551955"
"11624"	"11624"	"Maybridge3_001738"	"Cn1ncc2c(Sc3ccc(Cl)cc3)ncnc12"	0	""	""	1	1	223719	""
"11663"	"11663"	"1-Phenyl-4-propoxy-6-(propylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine"	"CCCOc1nc(SCCC)nc2c1cnn2c3ccccc3"	0	""	""	1	1	223750	""
"11667"	"11667"	"1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(p-bromoanilino)-1-..."	"Cn1ncc2c(Nc3ccc(Br)cc3)nc(Nc4ccc(Br)cc4)nc12"	0	""	""	1	1	223752	""
"11668"	"11668"	"N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyr..."	"Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc4cccc(Cl)c4)nc12"	0	""	""	2	2	223753	""
"11713"	"11713"	"c.i. pigment red 64 (8ci)"	"OC(=O)c1cc2ccccc2c(N=Nc3ccccc3)c1O"	0	""	""	1	1	80753	"27757795"
"11773"	"11773"	"mida"	"CN(CC(=O)O)CC(=O)O"	0	""	""	1	1	20441	"4408644"
"11841"	"11841"	"TimTec1_005460"	"COc1ccc2OC(=O)C=C(C)c2c1"	0	""	""	1	1	223821	"6295358"
"11881"	"11881"	"benzoylleukomethylene blue"	"CN(C)c1ccc2N(C(=O)c3ccccc3)c4ccc(cc4Sc2c1)N(C)C"	0	""	""	1	1	94975	"1249974"
"11897"	"11897"	"Phthiocol"	"CC1=C(O)C(=O)c2ccccc2C1=O"	0	""	""	2	1	10221	"483556"
"11905"	"11905"	"lapachol"	"CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C"	0	NA	NA	4	2	NA	"84797"
"11926"	"11926"	"tardolyt"	"COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"313677"
"11963"	"11963"	"2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride"	"Oc1c(CNCCNCc2cc(Cl)cc(Cc3ccccc3)c2O)cc(Cl)cc1Cc4ccccc4"	0	""	""	1	1	24181851	""
"11969"	"11969"	"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol"	"Oc1c(Cl)cc(Cl)c(Cl)c1CNCCNCc2c(O)c(Cl)cc(Cl)c2Cl"	0	""	""	1	1	223883	""
"11981"	"11981"	"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol"	"CCCCC\N=C\c1c(O)c(O)c(C(C)C)c2cc(C)c(c(O)c12)c3c(C)cc4c(C(C)C)c(O)c(O)c(\C=N\CCCCC)c4c3O"	0	""	""	1	1	223889	"5422606"
"11991"	"11991"	"REGID_for_CID_223899"	"CC(C)(C)C1=NN=C2C1C(=O)c3ccccc23"	0	""	""	1	1	223899	"6287805"
"12097"	"12097"	"Resorufin"	"Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1"	0	""	""	2	2	69462	"635789"
"12113"	"12113"	"1,2-Dimethoxy-4-(2-nitropropenyl)benzene"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1OC"	0	NA	NA	1	1	NA	"122474"
"12129"	"12129"	"7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid"	"Oc1ccc2cccc(c2c1N=Nc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N=Nc5c(O)ccc6cccc(c56)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	223984	"7251992"
"12150"	"12150"	"Decanediamide, N,N'-bis(4-amino-2-methyl-6-quinolyl)-, d..."	"Cc1cc(N)c2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1"	0	NA	NA	2	2	NA	""
"12161"	"12161"	"Crotonosid"	"NC1=NC(=O)Nc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	1	1	NA	"1818719"
"12174"	"12174"	"isoflupredone"	"CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO"	0	NA	NA	3	2	NA	"338954"
"12181"	"12181"	"3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid"	"OC(=O)c1c(cc2ccccc2c1c3ccccc3)C4=C5C=CC(=O)C=C5Oc6cc(O)ccc46"	0	""	""	3	2	408250	"6640024"
"12198"	"12198"	"Dromostanolone Propionate"	"CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C"	0	"Ho"	"FDA approved"	2	2	224004	"521120"
"12455"	"12455"	"beacon red"	"[Na+].OC(=O)c1ccccc1N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	2	1	NA	"1836222"
"12516"	"12516"	"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-..."	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCCC5)c4)c2c1"	0	""	""	1	1	24181914	""
"12517"	"12517"	"N-Benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride"	"CC(C)c1ccc2C3CCCC(C)(NCc4ccccc4)C3CCc2c1"	0	""	""	1	1	24181915	""
"12650"	"12650"	"ANTINEOPLASTIC-12650"	"Oc1ccc(cc1)N=Nc2ccc(cc2)[As](=O)(O)O"	0	""	""	1	1	224279	"5425661"
"12825"	"12825"	"NCIMech_000116"	"Oc1c(Br)c(nc2ccccc12)c3ccccc3"	0	""	""	4	2	224423	"6639969"
"12865"	"12865"	"Quinine, hydrobromide, hydrate"	"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1"	0	""	""	1	1	11068	""
"12969"	"12969"	"c.i. 37511"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3"	0	NA	NA	1	1	NA	"5442400"
"13002"	"13002"	"win 1701"	"CN(C)c1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	25926	"13365383"
"13003"	"13003"	"wln: t c666 bnj eo1 fo1 im1yq1n2&2 mnw &gh 2"	"CCN(CC)CC(O)CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"73972506"
"13006"	"13006"	"Ethanol, 2-[(2-[(2-methoxy-9-acridinyl)amino]ethyl)amino..."	"COc1ccc2nc3ccccc3c(NCCNCCO)c2c1"	0	""	""	2	2	24181963	"38915785"
"13051"	"13051"	"4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol"	"COc1ccc2nc3cc(Cl)ccc3c(Nc4cc(C(C)C)c(O)cc4C)c2c1"	0	""	""	2	1	224524	"5427554"
"13052"	"13052"	""	"CCN(CC)CCCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	NA	NA	2	2	NA	"5418597"
"13055"	"13055"	"TCMDC-142279"	"CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"	0	""	""	1	1	459702	"5427587"
"13119"	"13119"	"l-trp"	"NC(Cc1c[nH]c2ccccc12)C(=O)O"	0	NA	NA	5	3	NA	"73223"
"13128"	"13128"	"nicota"	"NC(=O)c1cccnc1"	0	NA	NA	1	1	NA	"98920"
"13151"	"13151"	"J-501875"	"Oc1ccc(cc1)C(=O)\C=C\c2ccccc2Cl"	0	""	""	2	2	5354553	"5424022"
"13162"	"13162"	"Cadmium;4-chlorobenzenesulfonic acid"	"[Cd+2].OS(=O)(=O)c1ccc(Cl)cc1"	0	""	""	1	1	54603804	"5424975"
"13204"	"13204"	"AK-38589"	"Nc1nnc2cc(Cl)ccc2n1"	0	""	""	1	1	95001	"5423530"
"13239"	"13239"	"NCI-13239"	"CCCCNc1c(CN)cnc2cc(Cl)ccc12"	0	""	""	1	1	224604	"5423723"
"13248"	"13248"	""	"CCN1CCC(CC1)Nc2ccnc3cc(Cl)ccc23"	0	NA	NA	1	1	NA	"5423767"
"13275"	"13275"	"5,6-Dimethoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine;hydroiodide"	"COc1cc(NCCC2CCCCN2)c3ncccc3c1OC"	0	""	""	1	1	24182013	"5428604"
"13300"	"13300"	""	"CCN(CC)CCC(CNc1ccnc2cc(Cl)ccc12)c3ccc(OC)cc3"	0	NA	NA	1	1	NA	"5418600"
"13307"	"13307"	"9-Phenanthrenemethanol, 6-bromo-.alpha.-[(diheptylamino)..."	"CCCCCCCN(CCCCCCC)CC(O)c1cc2ccccc2c3cc(Br)ccc13"	0	""	""	1	1	45049470	"23257536"
"13314"	"13314"	""	"COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC"	0	NA	NA	1	1	NA	"5428795"
"13316"	"13316"	"(2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol"	"OC(C1CCCCN1)c2cc(nc3ccccc23)c4ccc(Cl)cc4"	0	""	""	2	1	224644	"5428808"
"13317"	"13317"	"N-[(7-Chloro-2-phenylquinolin-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;sulfuric acid"	"CCN(CC)CCCNCc1cc(nc2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	54609285	"5428819"
"13318"	"13318"	"N',N'-Diethyl-N-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine;sulfuric acid"	"CCN(CC)CCCNCc1cc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	54602013	"5428820"
"13378"	"13378"	""	"COc1cc(NCCC2CCCCN2)c3ncccc3c1"	0	NA	NA	2	2	NA	"5429254"
"13380"	"13380"	"2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole"	"COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1"	0	""	""	2	2	224687	"5429265"
"13397"	"13397"	"Triamcinolone"	"C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO"	0	""	""	1	1	31307	"124947"
"13477"	"13477"	"4-N-(7-Chloro-3-phenylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydroiodide"	"CCN(CC)CCCC(C)Nc1c(cnc2cc(Cl)ccc12)c3ccccc3"	0	""	""	2	1	24182056	"5431038"
"13479"	"13479"	"1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12"	0	""	""	1	1	224741	"5431050"
"13480"	"13480"	""	"OC(C1CCCCN1)c2cc(nc3c2ccc4ccccc34)c5ccccc5"	0	NA	NA	2	1	NA	""
"13483"	"13483"	"A821143"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12"	0	""	""	1	1	224743	"5431083"
"13484"	"13484"	"1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine"	"CCN(CC)CCCC(C)Nc1cc(nc2cc(OC)ccc12)c3ccccc3"	0	""	""	1	1	498042	"5431094"
"13502"	"13502"	"echinomycin"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c3cnc4ccccc4n3)NC(=O)c5cnc6ccccc6n5"	0	""	""	2	1	3197	""
"13597"	"13597"	""	"OC(=O)CSc1cc(nc2ccccc12)c3ccccc3"	0	NA	NA	1	1	NA	"5443038"
"13598"	"13598"	"7-Chloro-N-[2-[2-(diethylamino)ethylsulfonyl]ethyl]quinolin-4-amine;phosphoric acid"	"CCN(CC)CCS(=O)(=O)CCNc1ccnc2cc(Cl)ccc12"	0	""	""	2	2	54603830	"5433261"
"13616"	"13616"	"2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-di..."	"CCC(CNc1cc(OC)cc2cccnc12)NC3CCCCC3"	0	""	""	1	1	224810	"5431629"
"13625"	"13625"	"4-[(Z)-2-(4,6-Dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline"	"CCN(CC)c1ccc(\C=C\c2cc(C)c3cc(C)ccc3n2)cc1"	0	""	""	1	1	54605076	"5431696"
"13628"	"13628"	"N-(4-Benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine"	"CCN(CC)CCCNc1cccc2c(SCc3ccccc3)ccnc12"	0	""	""	1	1	224815	"5431710"
"13699"	"13699"	"Petcm"	"OC(Cc1ccncc1)C(Cl)(Cl)Cl"	0	""	""	1	1	224859	"10129563"
"13713"	"13713"	""	"CCN(CC)CCCNc1cc(OC)c(OC)c2cccnc12"	0	NA	NA	1	1	NA	""
"13724"	"13724"	"N-(7-Chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine"	"CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c3ccc(Cl)cc3"	0	""	""	1	1	224873	"5442706"
"13801"	"13801"	"2-mercapto-o-acetanisidide, carbamate"	"COc1ccccc1NC(=O)CSC(=O)N"	0	""	""	1	1	224935	"7451607"
"13831"	"13831"	"Probes1_000354"	"Cn1c(Sc2ccc(c3cccnc3)n2C)ccc1c4cccnc4"	0	""	""	2	1	224958	""
"13835"	"13835"	"1-Tetradecylpyridin-1-ium-3-carboxamide;bromide"	"CCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N"	0	""	""	2	2	24182122	"5442842"
"13973"	"13973"	"basic yellow k"	"Cc1cc2cc3cc(C)c(N)cc3nc2cc1N"	0	NA	NA	2	2	NA	"135499"
"13977"	"13977"	"Alizarin Blue S"	"OC1(C2N=CC=CC2C3=C(C(=O)c4ccccc4C3=O)C1(O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	NA	""
"13981"	"13981"	"5-benzamido-1-aminoanthraquinone"	"Nc1cccc2C(=O)c3c(NC(=O)c4ccccc4)cccc3C(=O)c12"	0	""	""	2	2	67011	"117066"
"13984"	"13984"	"SC-33007"	"Oc1c(ccc2ccccc12)C(O)(c3ccccc3)c4ccc5ccccc5c4O"	0	""	""	2	1	224978	""
"13986"	"13986"	"janus green v"	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)N=Nc5ccc(cc5)N(C)C"	0	""	""	2	2	76123	"2869832"
"14006"	"14006"	""	"COc1ccccc1\C=C(\C)/[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6306349"
"14009"	"14009"	"2,4-Dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene"	"CC\C(=C/c1ccc(OC)cc1OC)\[N+](=O)[O-]"	0	""	""	1	1	49791635	"15804838"
"14022"	"14022"	"Bis(methylthio)maleonitrile"	"CS\C(=C(\SC)/C#N)\C#N"	0	""	""	1	1	5929688	"7373026"
"14034"	"14034"	"IMKHPTXYFMGMDE-UHFFFAOYSA-N"	"[O-][N+](=O)c1ccc(C=C2C(=C(Cl)C(=C2Cl)Cl)Cl)cc1"	0	""	""	1	1	225001	"63161035"
"14040"	"14040"	"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)C2=NON3OC23C(=O)c4ccc(OC)cc4"	0	""	""	2	2	225006	""
"14050"	"14050"	"arolen"	"CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12"	0	NA	NA	2	1	NA	"50635"
"14071"	"14071"	"Ethanol, 2-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]pr..."	"COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCO)c2c1"	0	NA	NA	1	1	NA	"38915183"
"14073"	"14073"	"1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride"	"COc1ccc2nc3ccccc3c(NCCNCC(C)O)c2c1"	0	""	""	1	1	54609322	""
"14079"	"14079"	"Acridine, 9-[(4-diethylamino-1-methylbutyl)amino]-2-meth..."	"CCN(CC)CCCC(C)Nc1c2ccc(C)cc2nc3ccc(OC)cc13"	0	""	""	1	1	54602016	""
"14186"	"14186"	"Maybridge1_003613"	"OC(=O)CSc1nc2ccccc2[nH]1"	0	""	""	1	1	137805	"3042000"
"14229"	"14229"	"Acrichine"	"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13"	0	"Db|AP"	"FDA approved"	2	2	NA	"69056"
"14380"	"14380"	"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione"	"CC(C)COc1nc2N(C)C(=O)N(C)C(=O)c2n1C"	0	""	""	1	1	225223	"5438766"
"14548"	"14548"	"Benzylidenanthron"	"O=C1c2ccccc2C(=Cc3ccccc3)c4ccccc14"	0	""	""	1	1	225328	"14343921"
"14657"	"14657"	"1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride"	"COc1cc2nc3cc(ccc3c(NCCCNCC(C)(C)O)c2cc1OC)[N+](=O)[O-]"	0	""	""	1	1	24182209	""
"14659"	"14659"	"3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride"	"COc1ccc2nc3cc(Cl)ccc3c(NCCNCC(O)CO)c2c1"	0	""	""	1	1	24182211	""
"14666"	"14666"	"adenin"	"Nc1ncnc2nc[nH]c12"	0	NA	NA	5	3	NA	"73245"
"14711"	"14711"	""	"COc1cc(CN2CCCCC2)cc3C=C(C(=O)O)C(=O)Oc13"	0	NA	NA	3	1	NA	""
"14741"	"14741"	"8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride"	"CC(C)NCCCCCNc1cc(O)cc2cccnc12"	0	""	""	2	2	54605112	""
"14864"	"14864"	"ceprim"	"CCCCCCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	1	1	NA	"123035"
"14973"	"14973"	"N-(p-Carboxyphenyl)glycine"	"OC(=O)CNc1ccc(cc1)C(=O)O"	0	""	""	2	1	225483	"5698544"
"14974"	"14974"	"Glaucarubol"	"CC1C(O)C2(O)OCC34C(CC5C(=CC(O)C(O)C5(C)C23)C)OC(=O)C(O)C14"	0	""	""	5	2	225484	"1448222"
"14975"	"14975"	"glarubin"	"CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=C[C@H](O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	5	3	NA	"1448233"
"14977"	"14977"	"9-Hydrazinoacridinhydrochlorid"	"NNc1c2ccccc2nc3ccccc13"	0	""	""	1	1	54609366	""
"15013"	"15013"	"ANQI"	"NC1=CC(=N)c2ccccc2C1=O"	0	NA	NA	2	1	NA	"5438857"
"15078"	"15078"	"Malononitrile, (.beta.-pentylcinnamylidene)-"	"CCCCC\C(=C\c1ccccc1)\C=C(C#N)C#N"	0	""	""	2	1	6271803	""
"15193"	"15193"	"Ba 2758"	"OCC(O)C(O)C(O)CC=O"	0	NA	NA	1	1	NA	"154176"
"15200"	"15200"	"gallium nitrate"	"[Ga+3].O[N+](=O)[O-]"	0	NA	NA	10	5	NA	"13494901"
"15309"	"15309"	"Phlorone"	"CC1=CC(=O)C(=CC1=O)C"	0	NA	NA	5	4	NA	"137188"
"15372"	"15372"	"p-oxinozon"	"Oc1ccc(Nc2ccc3ccccc3c2)cc1"	0	NA	NA	1	1	NA	"93458"
"15609"	"15609"	"Gluconic acid, cyclic antimonate(III), sodium salt"	"OCC1O[Sb](O)OC1C(O)C(O)C(=O)O"	0	""	""	2	2	24182331	""
"15623"	"15623"	""	"Cc1ccc(cc1)[Sb]2(O)(O)OC(CO)C(O2)C(O)C(O)C(=O)O"	0	NA	NA	1	1	NA	""
"15628"	"15628"	"rozex"	"CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6"	0	""	""	1	1	5280954	"24815245"
"15785"	"15785"	""	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	1	1	NA	"1222613"
"15791"	"15791"	"Thioxanthen-9-one, 4-methyl-1-(2-piperidinoethylamino)-,..."	"Cc1ccc(NCCN2CCCCC2)c3C(=O)c4ccccc4Sc13"	0	""	""	1	1	21144135	""
"15795"	"15795"	"6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride"	"CCN(CCNc1ccc(C)c2Sc3cc(Cl)ccc3C(=O)c12)CC(C)(C)O"	0	""	""	1	1	24182355	""
"15812"	"15812"	"N,N-Dihexylquinoline-4-carboximidamide"	"CCCCCCN(CCCCCC)C(=N)c1ccnc2ccccc12"	0	""	""	1	1	408791	""
"15813"	"15813"	"(Z)-5-[Benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one"	"CN(CCC(=O)\C(=C/c1ccccc1)\c2ccc(Cl)cc2)Cc3ccccc3"	0	""	""	1	1	5897951	"5447563"
"15830"	"15830"	"DCVC"	"N[C@@H](CS\C(=C/Cl)\Cl)C(=O)O"	0	NA	NA	2	2	NA	"13419460"
"15886"	"15886"	"Q2806562"	"[O-][N+](=O)c1cc(Cl)c2[nH]c3c(Cl)cc(cc3c2c1)[N+](=O)[O-]"	0	""	""	2	2	225968	""
"15975"	"15975"	"light orange r"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	18981	"3468631"
"16034"	"16034"	"CBDivE_011978"	"Cc1ccc(NSc2ccccc2[N+](=O)[O-])cc1"	0	""	""	2	2	226033	"4837325"
"16116"	"16116"	"Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide"	"C[N+](C)(C)CCN(Cc1cccs1)c2ccccn2"	0	""	""	1	1	5351669	""
"16165"	"16165"	"Azure C (VAN)"	"CNc1ccc2nc3ccc(N)cc3[s+]c2c1"	0	""	""	1	1	135421845	"531577"
"16166"	"16166"	"Azure B bromide"	"CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	""	2	2	13797451	"7508409"
"16219"	"16219"	"OAM5T44TSB"	"CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)N(c5ccccc5)c2c1"	0	""	""	1	1	226107	"82014220"
"16222"	"16222"	"Phenazinium (8CI), 3-(diethylamino)-7-[(2-hydroxy-1-naph..."	"CCN(CC)c1ccc2nc3ccc(cc3[n+](c4ccccc4)c2c1)N=Nc5c(O)ccc6ccccc56"	0	""	""	1	1	135421850	"4569840"
"16239"	"16239"	"p-anisylchloromercury"	"COc1ccc([Hg]Cl)cc1"	0	""	""	1	1	408835	"3009798"
"16258"	"16258"	"2-Nitro-1-phenylpropan-1-ol"	"CC(C(O)c1ccccc1)[N+](=O)[O-]"	0	""	""	1	1	226118	"6343573"
"16520"	"16520"	"N,N-Diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline"	"CCN(CC)c1ccc(\C=C\c2cc(C)c3ccccc3n2)cc1"	0	""	""	1	1	5912102	""
"16685"	"16685"	""	"C\C(=C/c1ccc2OCOc2c1)\[N+](=O)[O-]"	0	NA	NA	1	1	NA	"5438415"
"16729"	"16729"	"(Z)-3-(3-Methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid"	"COc1cc(\C=C/C(=O)O)ccc1OCc2ccccc2"	0	""	""	1	1	5354670	"7152956"
"16865"	"16865"	""	"OCC(S)CS"	0	NA	NA	1	1	NA	""
"16876"	"16876"	""	"O=C(CSCC(=O)N\N=C\c1ccccc1)N\N=C\c2ccccc2"	0	NA	NA	1	1	NA	"15054601"
"17061"	"17061"	"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol"	"COc1ccc(\C=N\c2c(O)ccc3ccccc23)cc1OC"	0	""	""	1	1	226514	"7250002"
"17065"	"17065"	"(2-Benzamidophenyl) benzoate"	"O=C(Nc1ccccc1OC(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	226518	"6296599"
"17245"	"17245"	"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate"	"C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COC(=O)C5CCCC5)[C@@]4(C)C[C@H](O)[C@H]23"	0	""	""	1	1	226609	""
"17257"	"17257"	"actidione, benzoylacetate"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c3ccccc3"	0	""	""	2	2	226619	""
"17273"	"17273"	"Propyl quinacrine mustard"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCl)CCCl)c2c1"	0	NA	NA	3	2	NA	"10072272"
"17275"	"17275"	"2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride"	"Oc1c(CC=C)cc(cc1CN(CCCl)CCCl)c2cc(CC=C)c(O)c(CN(CCCl)CCCl)c2"	0	""	""	3	2	24182498	""
"17473"	"17473"	"siquil"	"CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F"	0	NA	NA	1	1	NA	"1098608"
"17551"	"17551"	"1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- ph..."	"Cc1cc(C)c(C(=O)CC(=O)c2cccnc2)c(C)c1"	0	""	""	1	1	226783	""
"17647"	"17647"	""	"CC(CCC1=C(C)CCCC1(C)C)NCc2ccc(OCCCN3CCCCC3)cc2"	0	NA	NA	1	1	NA	""
"17652"	"17652"	"N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6..."	"CC(CCC1=C(C)CCCC1(C)C)N(C)Cc2ccc(OCCCN3CCCC3)cc2"	0	NA	NA	1	1	NA	""
"17744"	"17744"	"4,4-Dimethyl-2-pentadecyl-1-(propan-2-yl)-4,5-dihydro-1h-imidazole"	"CCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)C"	0	""	""	1	1	226857	""
"17759"	"17759"	"1-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol"	"CCCCCCCC\C=C\CCCCCCCC1=NC(C)(C)CN1CC(C)O"	0	""	""	2	1	5354710	""
"17762"	"17762"	"2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol"	"CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1C(C)(C)CO"	0	""	""	1	1	226869	""
"18286"	"18286"	"1-Ethoxy-5-fluoro-2,4-dinitrobenzene"	"CCOc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	227098	""
"18298"	"18298"	""	"CC1=CC2=[N+]3C1=Cc4cc(C)c5C=C6C(=C(CCC(=O)O)C7=[N+]6[Cu+2]3([nH-]45)[NH-]8C(=C2)C(=C(CCC(=O)O)C8=C7)C)C"	0	NA	NA	4	2	NA	""
"18300"	"18300"	""	"CC1=CC2=[N+]3C1=Cc4cc(C)c5C=C6C(=C(CCC(=O)O)C7=[N+]6[Pd+2]3([nH-]45)[NH-]8C(=C2)C(=C(CCC(=O)O)C8=C7)C)C"	0	NA	NA	3	2	NA	""
"18335"	"18335"	"cinerubin b"	"CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)ccc(O)c8C(=O)c7cc6C1C(=O)OC"	0	NA	NA	3	1	NA	"35906515"
"18451"	"18451"	"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-"	"Brc1ccc(CN(Cc2ccc(Br)cc2)c3ccc4c(c3)C(=O)c5ccccc45)cc1"	0	""	""	1	1	227150	""
"18460"	"18460"	"n-(7-Nitro-9h-fluoren-2-yl)formamide"	"[O-][N+](=O)c1ccc2c(Cc3cc(NC=O)ccc23)c1"	0	""	""	2	2	227158	"6583717"
"18613"	"18613"	"Trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide"	"C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc12"	0	""	""	1	1	5351688	""
"18719"	"18719"	""	"OCC(O)C(O)C(O)C(O)c1nc2cc(Cl)ccc2[nH]1"	0	NA	NA	1	1	NA	"7256179"
"18727"	"18727"	""	"O=C1CCCCC1CN2CCCCC2"	0	NA	NA	1	1	NA	"6966092"
"18758"	"18758"	"2,2'-Biphenyl-4,4'-diyldiguanidine sulfate(1:1)"	"NC(=N)Nc1ccc(cc1)c2ccc(NC(=N)N)cc2"	0	""	""	2	2	227281	"6966252"
"18804"	"18804"	"hinokitol"	"CC(C)C1=CC=CC(=O)C(=C1)O"	0	""	""	2	1	3611	"499445"
"18805"	"18805"	"thujaplicin, alpha"	"CC(C)C1=CC=C(O)C(=O)C=C1"	0	NA	NA	3	2	NA	"672764"
"18877"	"18877"	"3,4-di(benzo[b]thiophene-3-carbonyl)-1,2,5-oxadiazole 2-..."	"[O-][n+]1onc(C(=O)c2csc3ccccc23)c1C(=O)c4csc5ccccc45"	0	""	""	2	2	227331	"7146330"
"18880"	"18880"	"Phenoxathiine-4-carbohydrazide"	"NNC(=O)c1cccc2Sc3ccccc3Oc12"	0	""	""	1	1	227334	"5453758"
"18883"	"18883"	"2-(12H-Benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine"	"CCN(CC)CCN1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	1	227337	""
"18891"	"18891"	"NCIMech_000665"	"CN(C)CCCN1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	1	227345	"5453770"
"18894"	"18894"	"valerolactim"	"O=C1CCCCN1"	0	NA	NA	5	1	NA	"675207"
"19048"	"19048"	"Racemic gossypol, acetate salt"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	4	1	NA	"5453043"
"19139"	"19139"	"A842338"	"Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12"	0	""	""	1	1	227530	"6958867"
"19147"	"19147"	"2-chloro-N-phenethyl-9-phenyl-9H-purin-6-amine, hydrochl..."	"Clc1nc(NCCc2ccccc2)c3ncn(c4ccccc4)c3n1"	0	NA	NA	1	1	NA	"5444724"
"19441"	"19441"	"fda 0283"	"Cc1ccccc1c2nc3c(N)nc(N)nc3nc2N"	0	""	""	1	1	95122	"2853692"
"19502"	"19502"	""	"CC(=O)OCc1oc([Hg]Cl)cc1"	0	NA	NA	1	1	NA	""
"19509"	"19509"	"yohimbine"	"COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12"	0	NA	NA	2	1	NA	"65190"
"19630"	"19630"	"(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate"	"CCC(=O)OCN1C(=O)C=CC1=O"	0	""	""	2	2	227681	"72835268"
"19637"	"19637"	"2-(m-Nitrostyryl)pyridine"	"[O-][N+](=O)c1cccc(\C=C\c2ccccn2)c1"	0	NA	NA	1	1	NA	"5425741"
"19639"	"19639"	"m-Dimaleimidobenzene"	"O=C1C=CC(=O)N1c2cccc(c2)N3C(=O)C=CC3=O"	0	""	""	1	1	18156	"3006937"
"19645"	"19645"	"Nitrochin"	"[O-][N+](=O)c1cc[n+]([O-])c2ccccc12"	0	""	""	2	2	5955	"56575"
"19646"	"19646"	"WLN: T66 BNJ BO C1 ENW"	"Cc1cc(c2ccccc2[n+]1[O-])[N+](=O)[O-]"	0	NA	NA	2	2	NA	"4831623"
"19727"	"19727"	"A818196"	"Cc1c(C)[n+]([O-])c(C)c(C)[n+]1[O-]"	0	""	""	1	1	227746	"22978843"
"19728"	"19728"	"[(E)-(4-Hexoxyphenyl)methylideneamino]thiourea"	"CCCCCCOc1ccc(\C=N\NC(=S)N)cc1"	0	""	""	2	2	9555790	""
"19760"	"19760"	"N-Phthaloyl-Phe-OH"	"OC(=O)C(Cc1ccccc1)N2C(=O)c3ccccc3C2=O"	0	""	""	1	1	227754	"3588645"
"19781"	"19781"	"Phenol, 4,4'-(1,6-hexanediyl)bis-"	"Oc1ccc(CCCCCCc2ccc(O)cc2)cc1"	0	""	""	2	2	90481	"3682959"
"19802"	"19802"	"rhamnetin"	"COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O"	0	""	""	1	1	5281691	"90197"
"19893"	"19893"	"Fluorouracil"	"FC1=CNC(=O)NC1=O"	0	"Ds|Rs|TYMS"	"FDA approved"	1888	253	NA	"51218"
"19912"	"19912"	"Cryptopleurine"	"COc1ccc2c3CN4CCCC[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1"	0	""	""	8	1	92765	"482224"
"19942"	"19942"	"Tenulin"	"C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@@]4(C)[C@H]1C=CC4=O"	0	""	""	1	1	227830	"55780228"
"19976"	"19976"	"10-(3-(1-Azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine"	"Clc1ccc2Sc3ccccc3N(CCCN4CCCC45CCCCC5)c2c1"	0	""	""	2	2	227840	""
"19987"	"19987"	"Methylprednisolone"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14"	0	"NonCan:Anti-inflammatory"	"FDA approved"	1	1	6741	"83432"
"19990"	"19990"	"streptovaricin c"	"COC(=O)C1C(O)C(C)C(O)C(C)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\C(C)(O)C(O)C(C)C1O)\C"	0	NA	NA	1	1	NA	"23344174"
"20000"	"20000"	"agrosol"	"C[Hg]NC(=N)NC#N"	0	NA	NA	1	1	NA	"502396"
"20200"	"20200"	"Benzethonium Chloride"	"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	NA	NA	2	2	NA	"121540"
"20207"	"20207"	""	"C(Cc1ccncc1)SCc2ccccc2"	0	NA	NA	1	1	NA	"21181919"
"20256"	"20256"	"uridin"	"OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O"	0	""	"FDA approved"	1	1	NA	"58968"
"20514"	"20514"	"NCIMech_000725"	"CCCCOCc1cc(CN2CCN(C)CC2)c(O)c3ncccc13"	0	""	""	1	1	227994	""
"20527"	"20527"	"dibask"	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2"	0	NA	NA	2	1	NA	"87127"
"20534"	"20534"	"Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]eth..."	"CCN(CCO)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12"	0	NA	NA	3	1	NA	""
"20535"	"20535"	""	"CCN(CC)CCCNc1ccc(C)c2Sc3ccccc3C(=O)c12"	0	NA	NA	1	1	NA	""
"20644"	"20644"	"1,2,3-Tribenzylguanidine"	"C(NC(=NCc1ccccc1)NCc2ccccc2)c3ccccc3"	0	""	""	1	1	33144	"5440982"
"20909"	"20909"	"isothan"	"CCCCCCCCCCCC[n+]1ccc2ccccc2c1"	0	NA	NA	2	2	NA	"93232"
"21061"	"21061"	"cresol"	"Cc1ccc(O)cc1.Cc2cccc(O)c2.Cc3ccccc3O"	0	""	""	1	1	24693	""
"21075"	"21075"	"pilocereine"	"COc1cc2CCN(C)C(CC(C)C)c2c(Oc3c(OC)cc4CCN(C)C(CC(C)C)c4c3Oc5cc6C(CC(C)C)N(C)CCc6cc5OC)c1O"	0	NA	NA	5	2	NA	"2552478"
"21206"	"21206"	"6-AMINONICOTINAMIDE"	"NC(=O)c1ccc(N)nc1"	0	""	""	2	2	9500	"329895"
"21276"	"21276"	"2,6-dinitrochlorobenzene"	"[O-][N+](=O)c1cccc(c1Cl)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"606213"
"21356"	"21356"	"N,N-Bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide"	"O=NN(CC(=O)NNc1ccccc1)CC(=O)NNc2ccccc2"	0	""	""	2	2	228424	"7155397"
"21434"	"21434"	"ALBB-007622"	"Cc1ccc(C)c2c(CC(=O)O)c(C)[nH]c12"	0	""	""	1	1	228480	"5435438"
"21518"	"21518"	"2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol"	"CC(C)c1cc(CN(C)C)c(O)c(c1)C(C)(C)C"	0	""	""	1	1	228534	"6936443"
"21531"	"21531"	""	"COc1ccc(cc1)C2(Cl)c3ccccc3N(c4ccccc4)c5ccccc25"	0	NA	NA	1	1	NA	"5456586"
"21545"	"21545"	"Methanesulfonothioic acid, S-methyl ester (9CI)"	"CSS(=O)(=O)C"	0	""	""	1	1	18064	"2949920"
"21548"	"21548"	"dthyd"	"CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O"	0	NA	NA	14	9	NA	"50895"
"21588"	"21588"	"A805455"	"CC(CCC(=O)O)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2"	0	""	""	1	1	228569	"16733292"
"21622"	"21622"	"5-(Morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one"	"C\C(=N\N1CC(CN2CCOCC2)OC1=O)\C=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	5922444	""
"21662"	"21662"	"2-Bromophenazine 5,10-dioxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3cc(Br)ccc13"	0	""	""	1	1	228612	"6975742"
"21666"	"21666"	"Phenazine di-N-oxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3ccccc13"	0	""	""	1	1	228615	"303833"
"21669"	"21669"	"2-methoxyphenazine, 5,10-dioxide"	"COc1ccc2c(c1)[n+]([O-])c3ccccc3[n+]2[O-]"	0	NA	NA	1	1	NA	"303786"
"21681"	"21681"	"STL437892"	"COc1ccc(cc1)N=Nc2c(N)nn(C)c2N"	0	""	""	1	1	228622	"5460435"
"21683"	"21683"	"STL437902"	"Cc1ccc(cc1)N=Nc2c(N)nn(c2N)c3ccccc3"	0	""	""	2	2	228624	"5456928"
"21702"	"21702"	""	"CC(C)CNc1nc2ncnc(N)c2[nH]1"	0	NA	NA	1	1	NA	""
"21715"	"21715"	"Trichloromethyl(4-chlorophenyl) sulfone"	"Clc1ccc(cc1)S(=O)(=O)C(Cl)(Cl)Cl"	0	""	""	2	2	228635	""
"21728"	"21728"	"Sempervirine, nitrate"	"C1CCc2cn3ccc4c5ccccc5nc4c3cc2C1"	0	""	""	1	1	5351497	"5436464"
"21914"	"21914"	"3,4-Benzpyrene"	"c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45"	0	""	""	2	2	2336	"50328"
"21970"	"21970"	"L-alpha-Aminobutyric Acid"	"Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25"	0	""	""	3	2	1674	"56495"
"22070"	"22070"	"pyrethrosin"	"CC(=O)OC1\C=C(/C)\CCC2OC2(C)CC3OC(=O)C(=C)C13"	0	NA	NA	3	3	NA	"28272186"
"22201"	"22201"	"pimm"	"ClC1=C(Cl)C2(Cl)C3C(C(=O)N([Hg]c4ccccc4)C3=O)C1(Cl)C2(Cl)Cl"	0	""	""	1	1	110719	"5834811"
"22225"	"22225"	"Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid"	"OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl"	0	""	""	2	2	5351702	""
"22227"	"22227"	""	"ClC1=C(Cl)C2(Cl)C3C(C(=O)N([Hg]c4cccs4)C3=O)C1(Cl)C2(Cl)Cl"	0	NA	NA	2	2	NA	""
"22348"	"22348"	"1H-Naphth[2,3-d]imidazole-4,9-dione, 1-(4-bromophenyl)-2..."	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1c4ccc(Br)cc4"	0	""	""	2	2	229013	"93657411"
"22600"	"22600"	""	"COc1cc(\C=C/[N+](=O)[O-])ccc1OCc2ccccc2"	0	NA	NA	1	1	NA	"1860566"
"22709"	"22709"	"ae 200"	"O=C1N=CNc2nn[nH]c12"	0	""	""	3	3	135410720	"2683901"
"22842"	"22842"	"cumostrol"	"Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1"	0	""	""	5	3	5281707	"479130"
"22945"	"22945"	"WLN: WNR CG DG FNW"	"[O-][N+](=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]"	0	""	""	1	1	80565	"6306394"
"22984"	"22984"	""	"COc1ccccc1\C=C(\C)/[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6306349"
"22994"	"22994"	"2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride"	"CCCCCCCCCCC(C[N+](C)(C)C\C=C\c1ccccc1)C(O)c2ccccc2"	0	""	""	1	1	24183021	"7146181"
"23159"	"23159"	"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate"	"COC(=O)CCC(C)C1CCC2C3CCC4CC5CCC4(C)C3(O5)C(Br)C(Br)C12C"	0	""	""	1	1	229453	"23405110"
"23162"	"23162"	"Nandrolone phenpropionate"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc5ccccc5"	0	"Ho|NonCan:Ste"	"FDA approved"	2	2	NA	"62908"
"23173"	"23173"	"4-((2-(Acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid"	"CC(=O)Nc1ccc2c(c1)\C(=N\c3ccc(cc3)C(=O)O)\c4ccccc24"	0	""	""	1	1	229459	"5454411"
"23297"	"23297"	"N-(3-Methylphenyl)-2,4,7-trinitrofluoren-9-imine"	"Cc1cccc(c1)\N=C/2\c3cc(ccc3c4c2cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	229543	"5455094"
"23345"	"23345"	"ptsm"	"CNC(=S)N\N=C\C(=N\NC(=S)NC)\C"	0	""	""	1	1	9552058	"673687"
"23416"	"23416"	"29D9UWI50A"	"COc1ccc(\C=C(/C#N)\c2ccc(OC)cc2)cc1"	0	""	""	1	1	5716814	"6443749"
"23418"	"23418"	"3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride"	"OC(CCNCc1ccccc1)c2ccc3ccccc3c2"	0	""	""	1	1	54603596	"5455696"
"23477"	"23477"	"1,2-Dichloro-4-[(E)-2-nitrobut-1-enyl]benzene"	"CC\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	""	""	1	1	5355002	"15873399"
"23615"	"23615"	"deoxyuridine"	"OCC1OC(CC1O)N2C=CC(=O)NC2=O"	0	NA	NA	2	1	NA	"951780"
"23676"	"23676"	""	"CC(C)N(Cc1ccc(CN(C(C)C)C(=O)CCl)cc1)C(=O)CCl"	0	NA	NA	1	1	NA	""
"23759"	"23759"	"TESTOLACTONE"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2"	0	"Ho"	"FDA approved"	50	3	NA	"968934"
"23766"	"23766"	"6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimi..."	"CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1"	0	NA	NA	1	1	NA	""
"23833"	"23833"	"1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid"	"Cc1ccc(cc1)S(=O)ON2CCC(CC2)(C(=O)O)c3ccccc3"	0	""	""	2	1	229831	""
"23856"	"23856"	"4-Methoxy-"	"COc1ccc(\C=C\[N+](=O)[O-])cc1"	0	""	""	1	1	697963	"3179100"
"23863"	"23863"	""	"C\C(=C/c1ccc(Cl)c(Cl)c1)\[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6974465"
"23904"	"23904"	""	"CN1CCCC(C1)C(=O)OCC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C"	0	NA	NA	2	2	NA	""
"23925"	"23925"	""	"COc1ccc(cc1)c2cc(C(O)C3CCCCN3)c4ccccc4n2"	0	NA	NA	2	1	NA	""
"23936"	"23936"	"(4Z)-4-[(4-Nitrophenyl)hydrazinylidene]pentanoic acid"	"C\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\CCC(=O)O"	0	""	""	1	1	6369925	"1568485"
"23994"	"23994"	"Butyl maleurate"	"CCCCOC(=O)\C=C/C(=O)NC(=O)N"	0	""	""	1	1	5355031	"140987"
"24030"	"24030"	"1,4-benzenediamine (9ci), n-butyl-n'-phenyl-"	"CCCCNc1ccc(Nc2ccccc2)cc1"	0	""	""	1	1	229938	"15464990"
"24037"	"24037"	"N-(9-(4-(trimethylamino)benzylidene)-9H-fluoren-2-yl)ace..."	"CC(=O)Nc1ccc2c3ccccc3\C(=C\c4ccc(cc4)[N+](C)(C)C)\c2c1"	0	""	""	1	1	5351711	""
"24047"	"24047"	""	"CN(CCc1ccccn1)c2ccc3c(Cc4ccccc34)c2"	0	NA	NA	1	1	NA	""
"24076"	"24076"	""	"[Na+].CCN(CC)COC(=S)S"	0	NA	NA	2	2	NA	""
"24113"	"24113"	"NCIMech_000745"	"CN(C)CCCN1c2ccc3ccccc3c2Sc4cccc(Cl)c14"	0	""	""	2	1	229969	"5459314"
"24189"	"24189"	"8455AB"	"[O-][N+](=O)c1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1"	0	""	""	1	1	1549990	"7152752"
"24500"	"24500"	"2,6-Dimethoxyquinone"	"COC1=CC(=O)C=C(OC)C1=O"	0	NA	NA	5	4	NA	"530552"
"24559"	"24559"	"Mithramycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	"Db|Rs"	"FDA approved"	28	14	NA	"18378897"
"24692"	"24692"	"2,4,7-Tribromotropone"	"BrC1=CC=C(Br)C(=O)C(=C1)Br"	0	""	""	2	2	230132	"29798821"
"24799"	"24799"	""	"ClC(C(Cl)c1ccccc1)C(=O)c2ccccc2"	0	NA	NA	1	1	NA	"16619560"
"24817"	"24817"	"peltatin a"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	6	2	NA	"568536"
"24818"	"24818"	"podophyllotoxin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	5	2	NA	"518285"
"24819"	"24819"	"peltatin b"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	11	3	NA	"518296"
"24871"	"24871"	"l-Arctigenin"	"COc1ccc(CC2COC(=O)C2Cc3ccc(O)c(OC)c3)cc1OC"	0	""	""	2	2	230232	""
"24913"	"24913"	"TC-167793"	"CN(C)C(=S)SCc1ccccc1"	0	""	""	1	1	81664	"7250182"
"25028"	"25028"	"4-Amino-1,2-naphthoquinone"	"NC1=CC(=O)C(=O)c2ccccc12"	0	""	""	1	1	72908	"5460355"
"25154"	"25154"	"Pipobroman"	"BrCCC(=O)N1CCN(CC1)C(=O)CCBr"	0	"A7|AlkAg"	"FDA approved"	50	29	NA	"54911"
"25434"	"25434"	""	"COc1ccc2N(C(C=Cc2c1)C#N)C(=O)c3ccccc3"	0	NA	NA	2	2	NA	"6334312"
"25454"	"25454"	"Isoquinolin-1-yl(4-methoxyphenyl)phenylmethanol"	"COc1ccc(cc1)C(O)(c2ccccc2)c3nccc4ccccc34"	0	""	""	1	1	230510	""
"25463"	"25463"	"Rubremetinium chloride"	"CCC1C[N+]2=C(c3cc(OC)c(OC)cc3CC2)c4c1cc5c6cc(OC)c(OC)cc6CCn45"	0	NA	NA	1	1	NA	""
"25485"	"25485"	"uabaina"	"CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O"	0	NA	NA	3	1	NA	"630604"
"25703"	"25703"	"1-(Aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine"	"C(c1ccc(cc1)\N=C(\C(c2ccccc2)c3ccccc3)/N4CC4)c5ccc(cc5)\N=C(/C(c6ccccc6)c7ccccc7)\N8CC8"	0	""	""	1	1	230621	""
"25818"	"25818"	"4-chloro-3-nitrophenyl methyl sulfone"	"CS(=O)(=O)c1ccc(Cl)c(c1)[N+](=O)[O-]"	0	""	""	1	1	66796	"97074"
"25830"	"25830"	"CBDivE_002081"	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	230690	"742256"
"25846"	"25846"	"2-Nitrophenyl 2,4,6-trimethylbenzenesulfonate"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)Oc2ccccc2[N+](=O)[O-]"	0	""	""	2	2	230706	""
"25861"	"25861"	"6-Chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide"	"Cc1c(Cl)c(cc2c1N=CNS2(=O)=O)S(=O)(=O)N"	0	""	""	1	1	5351722	""
"26037"	"26037"	"1-[4-[(E)-2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol"	"CN(C)CC(O)c1ccc(\C=C\c2ccc(Cl)cc2)cc1"	0	""	""	1	1	5929908	"7148007"
"26040"	"26040"	"1-Piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-"	"OC(CN1CCCCC1)c2ccc(\C=C\c3ccc(Cl)cc3)cc2"	0	""	""	1	1	5351150	""
"26045"	"26045"	"5,7-dichloroisatin"	"Clc1cc(Cl)c2NC(=O)C(=O)c2c1"	0	""	""	1	1	80771	"6374921"
"26074"	"26074"	"1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1)"	"CN(C)CC(O)c1ccc(Cl)c2ccccc12"	0	""	""	2	2	230791	"7355659"
"26081"	"26081"	""	"COc1ccc(C(=O)CCN(C)C)c2ccccc12"	0	NA	NA	2	2	NA	"5471090"
"26113"	"26113"	"[(E)-3-(2,3,4,5-Tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene"	"ClC1=C(Cl)C(=C\C=C\c2ccccc2)C(=C1Cl)Cl"	0	""	""	2	2	5860626	"61355199"
"26258"	"26258"	"cube"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C"	0	NA	NA	6	2	NA	"83794"
"26271"	"26271"	"Cyclophosphamide"	"ClCCN(CCCl)P1(=O)NCCCO1"	0	"A7|AlkAg"	"FDA approved"	50	3	NA	"6055192"
"26273"	"26273"	"6-Benzylthioinosine"	"OCC1OC(C(O)C1O)n2cnc3c(SCc4ccccc4)ncnc23"	0	""	""	2	2	95263	"6165033"
"26427"	"26427"	"5-Chlorocoumarin"	"Clc1cccc2OC(=O)C=Cc12"	0	""	""	1	1	230978	"38169981"
"26540"	"26540"	"2-methyl-4,5,6-trichloropyrimidine"	"Cc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	2	2	231054	"1780285"
"26647"	"26647"	"Naphthazarin"	"Oc1ccc(O)c2C(=O)C=CC(=O)c12"	0	NA	NA	4	4	NA	"475387"
"26692"	"26692"	"4,5-bis(4-Methoxyphenyl)-1H-imidazol-2(5H)-one"	"COc1ccc(cc1)C2NC(=O)N=C2c3ccc(OC)cc3"	0	""	""	1	1	231112	"5471410"
"26697"	"26697"	"IPDPPISLQQOKEV-NTCAYCPXSA-N"	"CC(=O)NC1=C\C(=N/C(=O)C)\c2ccccc2C1=O"	0	""	""	2	2	231115	""
"26821"	"26821"	"o-Aminoazotoluene"	"Cc1ccccc1N=Nc2ccc(N)c(C)c2"	0	NA	NA	1	1	NA	"97563"
"26933"	"26933"	"OKDKHOBYMXHNMN-UHFFFAOYSA-N"	"Cc1ccc(NC(C(=O)c2ccccc2)c3ccccc3)cc1"	0	""	""	1	1	231205	"78604827"
"26980"	"26980"	"Mitomycin"	"CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N"	0	"A2|AlkAg"	"FDA approved"	130	122	5746	"50077"
"27034"	"27034"	"2,3-Quinizarindicarbonitrile"	"Oc1c(C#N)c(C#N)c(O)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	410191	"5470984"
"27102"	"27102"	"Usaf bv-11"	"Oc1c(cccc1[N+](=O)[O-])C(=O)Nc2ccc(I)cc2"	0	NA	NA	1	1	NA	"10515487"
"27103"	"27103"	""	"Oc1ccc(cc1C(=O)Nc2ccc(I)cc2)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6491016"
"27445"	"27445"	""	"OC(=O)c1ccc2cccnc2c1O"	0	NA	NA	3	2	NA	"19829799"
"27515"	"27515"	"2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo- (..."	"CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)O"	0	""	""	1	1	138417	"19506855"
"27604"	"27604"	"N-[(E)-[1-(5-Chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide"	"CC(C)C\C(=N/NC(=O)c1ccncc1)\c2cc(Cl)ccc2O"	0	""	""	2	2	135431336	""
"27607"	"27607"	"5-Chlorosalicylaldehyde isonicotinoylhydrazone"	"Oc1ccc(Cl)cc1\C=N\NC(=O)c2ccncc2"	0	""	""	1	1	135431337	"732923"
"27640"	"27640"	"Floxuridine"	"OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	"Ds|TYMS"	"FDA approved"	124	75	NA	"50919"
"28002"	"28002"	"Naphtho[2,1-b]quinolizinium, 7-methyl- chloride"	"Cc1c2ccc3ccccc3c2c[n+]4ccccc14"	0	""	""	4	4	5351151	""
"28081"	"28081"	"J3.656.556J"	"BrC(c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	231626	"5467209"
"28365"	"28365"	"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate"	"CC(=O)Oc1ccc(cc1)C23c4ccccc4C2(OC(=O)C)c5cc(OC(=O)C)ccc35"	0	""	""	1	1	231714	""
"28408"	"28408"	"1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide"	"C[N+]1(CCCC[N+]2(C)CCCCCCC2)CCCCCCC1"	0	""	""	1	1	5351731	"5471647"
"28430"	"28430"	""	"Brc1ccc(cc1)N=NC(C#N)C#N"	0	NA	NA	2	2	NA	"5471716"
"28527"	"28527"	"Cyclohexylmethanamine;cyclohexylmethylcarbamic acid"	"NCC1CCCCC1.OC(=O)NCC2CCCCC2"	0	""	""	1	1	231799	""
"28566"	"28566"	""	"COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCC(C)O)c2c1"	0	NA	NA	1	1	NA	""
"28567"	"28567"	""	"COc1cc2nc3cc(ccc3c(NCCNCC(C)O)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"28568"	"28568"	""	"COc1cc2nc3cc(ccc3c(NCCNCC(C)(C)O)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"28569"	"28569"	""	"COc1cc2nc3cc(ccc3c(NCCCNCCO)c2cc1OC)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"28608"	"28608"	"1,3-Bis(4-bromophenyl)thiourea"	"Brc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1"	0	""	""	1	1	3652630	"2059758"
"29013"	"29013"	"2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol"	"Cc1ccc(c(C)c1)c2cc(O)c(cc2O)c3ccc(C)cc3C"	0	""	""	1	1	232011	"5465463"
"29018"	"29018"	"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol"	"Cc1cc(C)c(c(C)c1)c2cc(O)c(cc2O)c3c(C)cc(C)cc3C"	0	""	""	1	1	232016	"5465509"
"29117"	"29117"	"7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one"	"CCCCC(=O)c1c(O)ccc2C(=CC(=O)Oc12)C"	0	""	""	1	1	5355215	"6324545"
"29182"	"29182"	"2-(Ethoxycarbonyl)phenyl 2-phenylhydrazinecarboxylate"	"CCOC(=O)c1ccccc1OC(=O)NNc2ccccc2"	0	""	""	2	2	232136	""
"29228"	"29228"	"Allyl disulfide"	"C=CCSSCC=C"	0	""	""	2	2	16590	"2179579"
"29422"	"29422"	"thioguanosine"	"NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	NA	"85314"
"29424"	"29424"	"N-Butyl-2-(methylthio)-9H-purin-6-amine"	"CCCCNc1nc(SC)nc2nc[nH]c12"	0	""	""	2	2	517841	""
"29443"	"29443"	"Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	"O=C(O[Hg]CC1OCCOC1C[Hg]OC(=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	16683643	""
"29459"	"29459"	"Quinoline, 4-[.alpha.-[bis(2-chloroethyl)amino]-4-methox..."	"COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)CCCl"	0	""	""	2	1	24183684	""
"29603"	"29603"	""	"Nc1nc(N)c2ncn(c3ccccc3)c2n1"	0	NA	NA	1	1	NA	""
"29604"	"29604"	"9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride"	"Nc1nc(N)c2ncn(c3ccc(Cl)c(Cl)c3)c2n1"	0	""	""	1	1	24183689	""
"29606"	"29606"	"9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride"	"Cc1ccc(cc1)n2cnc3c(N)nc(N)nc23"	0	""	""	1	1	54601764	""
"29630"	"29630"	"dichloroamethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Cl)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	NA	"528745"
"29638"	"29638"	"N'-(4-Fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide"	"Fc1ccc(NNC(=O)CC2Sc3ccccc3NC2=O)cc1"	0	""	""	1	1	232328	"2263583"
"29865"	"29865"	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide"	"Oc1ccccc1\C=N\NC(=O)CSCC(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	135431368	"6325106"
"30033"	"30033"	"glycerol-tris(iodoacetate)"	"ICC(=O)OCC(COC(=O)CI)OC(=O)CI"	0	""	""	2	1	23681	"7250466"
"30083"	"30083"	""	"CCCCCCCCCCN=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C"	0	NA	NA	2	2	NA	"6324034"
"30198"	"30198"	""	"Cc1cc(NCCCCCCNc2cc(C)nc3ccc(Cl)cc23)c4cc(Cl)ccc4n1"	0	NA	NA	1	1	NA	""
"30417"	"30417"	""	"C(CCOc1ccccc1C2CCCCC2)CCN3CCNCC3"	0	NA	NA	1	1	NA	""
"30637"	"30637"	"(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride"	"NC(=N)SCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	24183838	""
"30652"	"30652"	"1,4-Diacetoxynaphthalene"	"CC(=O)Oc1ccc(OC(=O)C)c2ccccc12"	0	""	""	1	1	79775	"5697007"
"30656"	"30656"	"michler's thione"	"CN(C)c1ccc(cc1)C(=S)c2ccc(cc2)N(C)C"	0	""	""	1	1	71045	"1226466"
"30659"	"30659"	""	"CCCCCCCCCCCCc1ccc(cc1)C(=O)\C=C\C(=O)O"	0	NA	NA	1	1	NA	"52497797"
"30706"	"30706"	"chinon"	"O=C1C=C(N2CC2)C(=O)C=C1N3CC3"	0	""	""	4	4	95715	"526625"
"30712"	"30712"	"4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol"	"CC(C)c1cc(\N=C/c2ccccc2O)c(C)cc1O"	0	""	""	2	2	232780	"7251196"
"30722"	"30722"	"2,4,6-trichloro-5-methylpyrimidine"	"Cc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	232789	"1780365"
"30799"	"30799"	"1-Methylcyclopentane-1,2-dicarboxylic acid"	"CC1(CCCC1C(=O)O)C(=O)O.CC2(CCCC2C(=O)O)C(=O)O"	0	""	""	1	1	232835	""
"30813"	"30813"	"5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole"	"c1ccc(cc1)n2nnnc2c3cccc4ccccc34"	0	""	""	2	2	232850	"6321579"
"30863"	"30863"	"5660AH"	"Nc1ccccc1c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	22658	"6272522"
"30915"	"30915"	"Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury"	"O=C(O[Hg]CC1COCC(C[Hg]OC(=O)c2ccccc2)O1)c3ccccc3"	0	""	""	1	1	16683646	""
"30916"	"30916"	"mp 317"	"O=C(O[Hg]CC1COC(C[Hg]OC(=O)c2ccccc2)CO1)c3ccccc3"	0	""	""	4	3	16683647	""
"30930"	"30930"	"2-Indolecarboxylic acid, 5-(benzyloxy)-"	"OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1"	0	NA	NA	2	2	NA	"6640091"
"30979"	"30979"	"3-ethylcholanthrene"	"CCc1ccc2cc3c(ccc4ccccc34)c5CCc1c25"	0	""	""	1	1	95723	"7511548"
"31059"	"31059"	"MS-1469"	"O=C1NC(=S)S/C/1=C/c2ccc3OCOc3c2"	0	""	""	1	1	1416279	"28824660"
"31660"	"31660"	"2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid"	"Nc1ccccc1O.O[Sb]2OC(C(O2)C(=O)O)C(=O)O"	0	""	""	2	2	16682749	""
"31692"	"31692"	""	"CC(=O)\C(=C/c1ccc(Cl)cc1)\c2ccccc2"	0	NA	NA	2	2	NA	"6318769"
"31703"	"31703"	"Ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate"	"CCOC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	5774635	"6324807"
"31709"	"31709"	"Quinolinium, 2-[2-(2,5-dimethyl-1-pentyl-1H-pyrrol-3-yl)..."	"CCCCCn1c(C)cc(\C=C\c2ccc3cc(C)ccc3[n+]2C)c1C"	0	""	""	2	2	54605545	""
"31711"	"31711"	"2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diet..."	"CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc4ccc(OC)cc24)cc(CC=C)c1O"	0	NA	NA	1	1	NA	"7511617"
"31717"	"31717"	"tetraethyleniminobenzoquinone"	"O=C1C(=C(N2CC2)C(=O)C(=C1N3CC3)N4CC4)N5CC5"	0	""	""	2	2	95735	"4239069"
"31760"	"31760"	"Asperuloside"	"CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C23"	0	NA	NA	1	1	NA	""
"31768"	"31768"	"N,N-Dimethyl-4-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CN(C)c1ccc(\C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	2	2	54599828	"7400488"
"31777"	"31777"	"N,N-Diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1"	0	""	""	2	2	54605565	"6333955"
"31778"	"31778"	""	"[Cl-].[Cl-].CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1"	0	NA	NA	2	2	NA	"7400499"
"31779"	"31779"	""	"CN1\C(=C/C(I)C(I)C2=[N+](C)c3ccccc3C2(C)C)\C(C)(C)c4ccccc14"	0	NA	NA	2	2	NA	"6320134"
"31780"	"31780"	"astraphloxin"	"CN1\C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)\C(C)(C)c4ccccc14"	0	""	""	2	2	6540442	"6320145"
"31782"	"31782"	"N-(4-Ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride"	"[Cl-].[Cl-].CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2"	0	""	""	2	2	54602338	"6320327"
"31812"	"31812"	"dulana"	"Nc1ccc(cc1)S(=O)(=O)Nc2nccs2"	0	NA	NA	1	1	NA	"72140"
"31815"	"31815"	"ANTINEOPLASTIC-31815"	"[Na+].O[As](=O)(O)c1ccc(OCCO[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	NA	NA	2	1	NA	"7150892"
"31869"	"31869"	"Suberosin"	"COc1cc2OC(=O)C=Cc2cc1CC=C(C)C"	0	""	""	1	1	68486	"581317"
"31882"	"31882"	"3,4'-dimethoxychrysin"	"COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(OC)cc3"	0	""	""	1	1	5352001	"20869958"
"32065"	"32065"	"Hydroxyurea"	"NC(=O)NO"	0	"AM|Dr"	"FDA approved"	49	32	NA	"127071"
"32149"	"32149"	""	"C(c1c2ccccc2cc3c1ccc4ccccc34)[n+]5ccccc5"	0	NA	NA	1	1	NA	""
"32190"	"32190"	"WLN: T66 BNJ G1R& JQ"	"Oc1ccc(Cc2ccccc2)c3cccnc13"	0	NA	NA	1	1	NA	"6954934"
"32212"	"32212"	".alpha.-Bromochalcone"	"Br\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	NA	NA	1	1	NA	"6935757"
"32516"	"32516"	"3-(But-3-en-2-yl)-2-hydroxybenzaldehyde"	"CC(C=C)c1cccc(C=O)c1O"	0	""	""	1	1	233642	""
"32569"	"32569"	"Piperazine, 4-(m-chlorophenyl)-4'-(p-chlorophenyl)-1,1'-..."	"Clc1ccc(cc1)N2CCN(CCCN3CCN(CC3)c4cccc(Cl)c4)CC2"	0	""	""	2	1	233683	""
"32743"	"32743"	"Acetoxycycloheximide"	"CC1CC(C)(CC(C(O)CC2CC(=O)NC(=O)C2)C1=O)OC(=O)C"	0	NA	NA	2	1	NA	"2885394"
"32924"	"32924"	"2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate"	"C[n+]1c2ccc(Cl)cc2nc3cc(ccc13)c4ccccc4"	0	""	""	1	1	24184082	""
"32927"	"32927"	"n-Hexadecyltrimethylammonium bromide"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	0	NA	NA	1	1	NA	"57090"
"32930"	"32930"	"N-(7-Chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride"	"CCN(CC)CCCNc1cc(OC)cc2nc3cc(Cl)ccc3nc12"	0	""	""	1	1	24184086	""
"32937"	"32937"	"Acridan, 9-chloro-9-(p-dimethylaminophenyl)-10-ethyl-, d..."	"CCN1c2ccccc2C(Cl)(c3ccc(cc3)N(C)C)c4ccccc14"	0	NA	NA	1	1	NA	""
"32942"	"32942"	"Cetalkonium Chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	2	2	31202	"122189"
"32944"	"32944"	"cephaeline dihydrochloride"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45"	0	NA	NA	10	2	NA	"5853292"
"32946"	"32946"	"mggh"	"C\C(=N/NC(=N)N)\C=N\NC(=N)N"	0	NA	NA	11	6	NA	"7059236"
"32951"	"32951"	"mycoin"	"OC1OCC=C2OC(=O)C=C12"	0	NA	NA	1	1	NA	"149291"
"32967"	"32967"	"3-N,6-N,2,7-Tetramethylacridine-3,6-diamine;hydrochloride"	"CNc1cc2nc3cc(NC)c(C)cc3cc2cc1C"	0	""	""	1	1	54608353	"6323393"
"32982"	"32982"	"Curcumin"	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O"	0	"Apo"	"FDA approved"	2	1	NA	"458377"
"32992"	"32992"	"colchicoside"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	4	1	NA	""
"33001"	"33001"	"Fluorometholone"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	""	""	4	2	9878	"426131"
"33006"	"33006"	"NCIMech_000040"	"CC(=O)Nc1ccc(cc1)c2nc3ccccc3s2"	0	""	""	1	1	233871	"6265572"
"33052"	"33052"	"DAQRZDDIMCDMPZ-UHFFFAOYSA-N"	"C(SCc1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	233907	"2222404"
"33092"	"33092"	"Methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate"	"COC(=O)Nc1ccc2ccc3c(NC(=O)OC)ccc4ccc1c2c34.COC(=O)Nc5ccc6ccc7ccc(NC(=O)OC)c8ccc5c6c78"	0	""	""	1	1	233937	""
"33202"	"33202"	"Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate"	"COC(=O)CCC1=C(C)C2=[N+]3C1=Cc4[nH-]5c(C=C6C=C(C)C7=[N+]6[Cd+2]35[NH-]8C(=C7)C=C(C)C8=C2)c(C)c4CCC(=O)OC"	0	""	""	2	2	3551195	""
"33353"	"33353"	"Cinnamamide, N-(4-amino-2-methyl-6-quinolyl)-o-chloro-"	"Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1"	0	NA	NA	2	2	NA	""
"33408"	"33408"	"N-Acetyliodocolchinol"	"COc1cc2CC[C@H](NC(=O)C)c3cc(O)c(I)cc3c2c(OC)c1OC"	0	NA	NA	2	2	NA	"38838276"
"33410"	"33410"	"Colchicine Derivative"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4ccccc4"	0	"TUBB"	""	8	2	46151	"63989753"
"33413"	"33413"	""	"CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	NA	"6275236"
"33418"	"33418"	"10-[(Z)-C-Aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide"	"NNC(=N)SCCCCCCCCCCSC(=N)NN"	0	""	""	1	1	54603357	""
"33419"	"33419"	"sn 967"	"C[n+]1c2ccccc2nc3c(N)cc(N)cc13"	0	NA	NA	1	1	NA	"1084431"
"33423"	"33423"	"ANTINEOPLASTIC-33423"	"COc1ccc(cc1NCS(=O)(=O)O)\[As]=[As]\c2ccc(OC)c(NCS(=O)(=O)O)c2"	0	NA	NA	1	1	NA	"6634748"
"33434"	"33434"	"isoquinolinium (8ci), 2,2'-decamethylenedi-, dibromide"	"C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]3ccc4ccccc4c3"	0	""	""	2	1	24184168	"1465743"
"33458"	"33458"	"3-N,3-N,6-N,6-N,2,7-Hexamethylacridine-3,6-diamine;hydrochloride"	"CN(C)c1cc2nc3cc(N(C)C)c(C)cc3cc2cc1C"	0	""	""	1	1	54602200	"6275509"
"33467"	"33467"	""	"CCN(CC)c1ccc(\C=C\c2ccc3cc(C)ccc3[n+]2CC)cc1"	0	NA	NA	2	2	NA	"7356743"
"33530"	"33530"	"Neuro_000017"	"[O-][N+](=O)c1ccc2c(c1)C(=O)C(=O)c3cc(ccc23)[N+](=O)[O-]"	0	""	""	5	4	95759	"604944"
"33548"	"33548"	".beta.-Dimethylamino-.alpha.-phenylpropiophenone hydroch..."	"CN(C)CC(C(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	91378	"25287790"
"33553"	"33553"	""	"CN(C)CC(C(=O)c1ccccc1)c2ccc(C)cc2"	0	NA	NA	1	1	NA	""
"33556"	"33556"	"3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide"	"COc1ccc(cc1)C(=O)C(CN(C)C)c2ccccc2"	0	""	""	1	1	54598857	""
"33560"	"33560"	"3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide"	"O=C(C(CN1CCOCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	54599888	""
"33566"	"33566"	"4-[4-(Diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	"CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	""	""	2	1	54609218	""
"33568"	"33568"	"3-Piperidino-2-phenylpropiophenone"	"O=C(C(CN1CCCCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	89341	"20451289"
"33570"	"33570"	"5-Morpholino-1,5-diphenyl-pent-1-en-3-one"	"O=C(CC(N1CCOCC1)c2ccccc2)\C=C\c3ccccc3"	0	""	""	1	1	6184372	"6275214"
"33574"	"33574"	"1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride"	"CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO"	0	""	""	1	1	24184220	"6265436"
"33577"	"33577"	"4-[4-(Dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride"	"CCCCN(CCCC)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	""	""	2	1	24184222	""
"33669"	"33669"	"emetine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45"	0	NA	NA	3	2	NA	"316427"
"33690"	"33690"	"Benzo[a]heptalen-9(5H)-one, 7-acetamido-10-(diethylamino..."	"CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	2	2	NA	""
"33759"	"33759"	""	"Oc1ccc(Br)cc1\C=N\NC(=O)c2ccncc2"	0	NA	NA	1	1	NA	"732912"
"33762"	"33762"	"LS-130969"	"COc1cccc(\C=N\NC(=O)c2ccncc2)c1O"	0	""	""	1	1	135538347	"7209850"
"33765"	"33765"	"CAP 1 hydrochloride"	"ClCCN1CCCCC1CCl"	0	""	""	1	1	21123220	"6274880"
"33832"	"33832"	"Ascorbic Acid"	"OCC(O)C1OC(=O)C(=C1O)O"	0	NA	NA	3	2	NA	"50817"
"34046"	"34046"	""	"CC\C(=C/c1ccc(cc1)N(C)C)\c2ccncc2"	0	NA	NA	1	1	NA	""
"34060"	"34060"	"N,N'-Diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride"	"CCN(CCCOc1ccccc1)CCN(CC)CCCOc2ccccc2"	0	""	""	1	1	54609242	""
"34391"	"34391"	"Cryptocyanin"	"CCN1C=C\C(=C/C=C/c2cc[n+](CC)c3ccccc23)\c4ccccc14"	0	NA	NA	1	1	NA	"4727508"
"34444"	"34444"	"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine"	"[O-][N+](=O)c1ccc(Nc2nc3ccccc3s2)cc1"	0	""	""	1	1	234474	"2501066"
"34462"	"34462"	"Uracil mustard"	"ClCCN(CCCl)C1=CNC(=O)NC1=O"	0	"A7|AlkAg"	"FDA approved"	50	46	6194	"66751"
"34475"	"34475"	"Androst-5-en-16.beta.-ol, 3.beta.-methoxy- (8CI)"	"CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CC=C2C1"	0	""	""	1	1	234498	"6038342"
"34521"	"34521"	"Dexamethasone Decadron"	"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"	0	"Ho"	"FDA approved"	1	1	NA	"50022"
"34533"	"34533"	"Fulcin"	"COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O"	0	NA	NA	2	2	NA	"78739001"
"34541"	"34541"	"(Iodoacetyl)urea"	"NC(=O)NC(=O)CI"	0	""	""	2	2	234533	"67172149"
"34656"	"34656"	"CYTISINE, 3-METHYL-"	"CN1CC2CC(C1)C3=CC=CC(=O)N3C2"	0	""	""	1	1	234566	"63699796"
"34661"	"34661"	"pms (van)"	"C[n+]1c2ccccc2nc3ccccc13"	0	""	""	3	2	9285	"299116"
"34749"	"34749"	""	"CNC(Cc1ccccc1)c2cccc(OC)c2O"	0	NA	NA	1	1	NA	"6278279"
"34757"	"34757"	"Melicopidine"	"COc1c2OCOc2c(OC)c3C(=O)c4ccccc4N(C)c13"	0	""	""	2	2	68060	"475912"
"34780"	"34780"	"STK174912"	"Oc1ccccc1\C=N\N=C/2\Nc3ccccc3S2"	0	""	""	1	1	135460716	"6278417"
"34821"	"34821"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-nitro phe..."	"CN(C)CC(=C)C(=O)c1ccccc1[N+](=O)[O-]"	0	NA	NA	4	4	NA	""
"34864"	"34864"	"2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan"	"CC(=O)Nc1ccc(Sc2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	2	2	234636	"6277550"
"34924"	"34924"	""	"O=C(C(Nc1ccc2ccccc2c1)c3ccccc3)c4ccccc4"	0	NA	NA	2	2	NA	"6276922"
"34927"	"34927"	"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride"	"CCN(CC)CCC(CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-])c4ccccc4"	0	""	""	2	2	24184591	"5414631"
"34931"	"34931"	"1-Naphthalenesulfonic acid, 3,3'-[1,2-ethenediylbis [(3-..."	"[Na+].Oc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(\C=C\c4ccc(cc4S(=O)(=O)O)N=Nc5cc(c6ccccc6c5O)S(=O)(=O)O)c(c3)S(=O)(=O)O"	0	""	""	5	2	135488929	"6962421"
"34949"	"34949"	"1-(1-Hydroxynaphthalen-2-yl)heptan-1-one"	"CCCCCCC(=O)c1ccc2ccccc2c1O"	0	""	""	1	1	234660	"67013665"
"35027"	"35027"	"n-Laurylpyridinium chloride"	"CCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	1	1	NA	"104745"
"35049"	"35049"	""	"CC(C)c1ccc(\C=C/2\C=C(OC2=O)c3ccc4ccccc4c3)cc1"	0	NA	NA	2	1	NA	"6278144"
"35123"	"35123"	"perchloropyrimidine"	"Clc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	2	1	15690	"1780401"
"35400"	"35400"	"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol"	"NC(=N)SCc1ccc(Cl)cc1Cl.Oc2c(Cl)cc(Cl)c(Cl)c2[N+](=O)[O-]"	0	""	""	2	1	234810	""
"35427"	"35427"	"1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone"	"O=C(C[N+]1(CCOCC1)c2ccccc2)c3ccccc3"	0	""	""	1	1	411628	"7401210"
"35441"	"35441"	"Phenanthridinium, 8-amino-5-methyl-6-phenyl-bromide"	"C[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccccc14"	0	""	""	2	2	21144180	"67240306"
"35446"	"35446"	"PROPIOPHENONE, 3-PHENYL-3-PIPERIDINO-"	"O=C(CC(N1CCCCC1)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	"5350970"
"35450"	"35450"	"1-[2-(biphenyl-4-yl)-2-oxoethyl]-3,5,7-triaza-1-azoniatr..."	"O=C(C[N+]12CN3CN(CN(C3)C1)C2)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	5351745	""
"35468"	"35468"	"Podophyllotoxin bromide"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)C(Br)c4cc5OCOc5cc24"	0	""	""	2	2	234820	""
"35471"	"35471"	"peltatin b"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4c(O)c5OCOc5cc24"	0	NA	NA	2	2	NA	"518296"
"35479"	"35479"	"Podophyllotoxin isothiuronium bromide"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](SC(=N)N)c4cc5OCOc5cc24"	0	""	""	2	2	54602203	"51887979"
"35489"	"35489"	"2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide"	"O=C(C[n+]1ccc2ccccc2c1)c3ccc4ccc5ccccc5c4c3"	0	""	""	2	2	5351160	"7401243"
"35542"	"35542"	"xanthoxylin n"	"COc1c2C=CC(=O)Oc2cc3OC(C)(C)C=Cc13"	0	""	""	1	1	66548	"84991"
"35563"	"35563"	"2,5-Bis(chloromercuri)furan"	"Cl[Hg]c1oc([Hg]Cl)cc1"	0	NA	NA	1	1	NA	"6270991"
"35580"	"35580"	"QLZ45PX3T1"	"O=C1NC2(NC(=O)C1=O)Nc3ccccc3S2"	0	""	""	2	1	234858	"6270355"
"35587"	"35587"	"Leucanthone, m-aminobenzenesulfonate"	"CCN(CC)CCNc1ccc(C)c2Sc3ccccc3C(=O)c12.Nc4cccc(c4)S(=O)(=O)O"	0	""	""	2	1	234864	"16170846"
"35617"	"35617"	"1,3-Naphthalenedisulfonic acid, 7,7'-azoxybis [[[[[(2-su..."	"OS(=O)(=O)c1cc(c2cc(ccc2c1)\N=N\c3ccc(cc3)\N=N\c4ccc(\C=C\c5ccc(cc5S(=O)(=O)O)\N=[N+](/[O-])\c6ccc(\C=C\c7ccc(cc7S(=O)(=O)O)\N=N\c8ccc(cc8)\N=N\c9ccc%10cc(cc(c%10c9)S(=O)(=O)O)S(=O)(=O)O)c(c6)S(=O)(=O)O)c(c4)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	2	1	54601070	"6273536"
"35676"	"35676"	"Purpurogallin"	"OC1=CC=Cc2cc(O)c(O)c(O)c2C1=O"	0	NA	NA	1	1	NA	"569777"
"35683"	"35683"	"mercuryl"	"OB(O[Hg]c1ccccc1)O[Hg]c2ccccc2"	0	""	""	2	2	16683655	"6273990"
"35729"	"35729"	"4-Ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"CCOc1c(OC)cc(cc1OC)C2C3C(COC3=O)Cc4c(OCC)c5OCOc5cc24"	0	""	""	1	1	234897	"6270402"
"35753"	"35753"	"3,3'-dihydroxyhexestrol"	"CC[C@@H]([C@@H](CC)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2"	0	NA	NA	1	1	NA	"79199512"
"35767"	"35767"	"2,4,6-tribromophenylallyl ether"	"Brc1cc(Br)c(OCC=C)c(Br)c1"	0	""	""	1	1	76767	"3278895"
"35770"	"35770"	"clomid"	"CCN(CC)CCOc1ccc(cc1)\C(=C(/Cl)\c2ccccc2)\c3ccccc3"	0	NA	NA	1	1	NA	"50419"
"35790"	"35790"	"2-benzimidazolepropionic acid"	"OC(=O)CCc1nc2ccccc2[nH]1"	0	NA	NA	2	1	NA	"23249970"
"35855"	"35855"	""	"ClC1=C(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2NC5=C(Cl)C(=O)c6ccccc6C5=O)C(=O)c7ccccc7C1=O"	0	NA	NA	1	1	NA	"6962692"
"35915"	"35915"	"erythritol aziridine"	"O[C@@H](CN1CC1)[C@H](O)CN2CC2"	0	""	""	1	1	234991	"21401285"
"35949"	"35949"	"NCIMech_000850"	"O=S1(=O)CCN(CC1)c2ccccc2CC(c3c[nH]c4ccccc34)c5c[nH]c6ccccc56"	0	""	""	3	1	235012	""
"35950"	"35950"	"Carbamimidothioic acid, (4-chloro-1-naphthalenyl)methyl ..."	"NC(=N)SCc1ccc(Cl)c2ccccc12.Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	235013	""
"36333"	"36333"	"akron"	"CCOc1ccc2nc3cc(N)ccc3c(N)c2c1"	0	NA	NA	1	1	NA	"1837576"
"36338"	"36338"	"quatresin"	"CCCCCCCCCCCCCC[n+]1ccc(C)cc1"	0	""	""	2	2	17671	"2748881"
"36354"	"36354"	"tmca"	"COC1=CC=C2C(=CC1=O)[C@@H](N)CCc3cc(OC)c(OC)c(OC)c23"	0	NA	NA	13	5	NA	"49720721"
"36359"	"36359"	""	"Clc1ccc2c(ccc[n+]2CC(=O)c3ccc4CCCCc4c3)c1"	0	NA	NA	1	1	NA	"6270866"
"36369"	"36369"	"2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide"	"C(CC[n+]1ccc2ccccc2c1)C[n+]3ccc4ccccc4c3"	0	""	""	1	1	5351749	"67258246"
"36373"	"36373"	"Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetra..."	"COc1cc(cc(OC)c1OC)C2C(CO)C(CO)C(O)c3cc4OCOc4cc23"	0	NA	NA	2	2	NA	""
"36390"	"36390"	"Podophyllin"	""	0	NA	NA	2	2	NA	"9000559"
"36405"	"36405"	"Chelerythrine"	"COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC"	0	"BCL2|PK:PRKCA,STK"	"Clinical trial"	2	2	72311	"3895929"
"36407"	"36407"	"PICROPODOPHYLLIN"	"COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	""	""	2	2	72435	"477474"
"36408"	"36408"	"Podophyllotoxin acetate"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC(=O)C)c4cc5OCOc5cc24"	0	NA	NA	1	1	NA	"1180343"
"36413"	"36413"	"DAURICINE"	"COc1cc2CCN(C)C(Cc3ccc(Oc4cc(CC5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC"	0	NA	NA	1	1	NA	"524174"
"36437"	"36437"	"CRASSIN, ACETATE"	"CC(=O)OC1C\C(=C\CC\C(=C/CCC(C)(O)C2CC1C(=C)C(=O)O2)\C)\C"	0	NA	NA	1	1	NA	"28028684"
"36525"	"36525"	"8-[(4-tert-butylphenoxy)methyl]-1,3-dimethyl-3,7-dihydro..."	"CN1C(=O)N(C)c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2C1=O"	0	""	""	1	1	235292	""
"36731"	"36731"	"Sulfiram"	"CCN(CC)C(=S)SC(=S)N(CC)CC"	0	""	""	2	2	7215	"95056"
"36755"	"36755"	".alpha.,.alpha.',.alpha.''-Tripyridyl"	"c1ccc(nc1)c2cccc(n2)c3ccccn3"	0	NA	NA	1	1	NA	"1148794"
"36758"	"36758"	"Tolonium chloride"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	NA	"92319"
"36768"	"36768"	"2,3,4,4'-Tmbp"	"COc1ccc(cc1)c2ccc(OC)c(OC)c2OC"	0	""	""	2	2	165441	"6271596"
"36806"	"36806"	"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,"	"O=C1CN2CCN(CC2)CC(=O)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CN5CCN(CC5)CC(=O)Nc6ccc(cc6)S(=O)(=O)c7ccc(N1)cc7)cc4"	0	""	""	4	3	235431	"6266837"
"37168"	"37168"	"celcot rm"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	67277	"135659"
"37186"	"37186"	"3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)C(F)(F)F"	0	""	""	2	2	235600	"450339"
"37187"	"37187"	"naphtazol c"	"Cc1ccc(Cl)cc1NC(=O)c2cc3ccccc3cc2O"	0	""	""	2	1	67275	"135637"
"37202"	"37202"	"celcot rn"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc4ccccc34"	0	""	""	1	1	67241	"132683"
"37248"	"37248"	""	"CC(C)CCN(CCC(C)C)CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)CN(CCC(C)C)CCC(C)C)cc2"	0	NA	NA	1	1	NA	"2520196"
"37249"	"37249"	""	"O=C(CN(C1CCCCC1)C2CCCCC2)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CN(C5CCCCC5)C6CCCCC6)cc4"	0	NA	NA	2	2	NA	"2907882"
"37261"	"37261"	""	"ClCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCl)cc2)cc1"	0	NA	NA	2	2	NA	"17328153"
"37364"	"37364"	"6-METHOXYGUANINE"	"COc1nc(N)nc2nc[nH]c12"	0	""	""	18	2	65275	"20535835"
"37379"	"37379"	""	"C\C(=N/NC(=O)c1ccncc1)\c2ccccc2O"	0	NA	NA	1	1	NA	"789811"
"37388"	"37388"	"PG9A8I4S8I"	"OC(=O)CCNc1ncnc2nc[nH]c12"	0	""	""	1	1	95806	"73094992"
"37432"	"37432"	"2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl- (9CI)"	"Oc1ccccc1\C=C\C(=O)c2ccccc2"	0	NA	NA	1	1	NA	"644780"
"37433"	"37433"	"Chalcone, 2',3,4-trihydroxy-"	"Oc1ccc(\C=C\C(=O)c2ccccc2O)cc1O"	0	NA	NA	1	1	NA	"6272431"
"37518"	"37518"	""	"Cc1ccc(cc1)S(=O)(=O)OCC#CCOS(=O)(=O)c2ccc(C)cc2"	0	NA	NA	2	2	NA	"6337593"
"37600"	"37600"	""	"[O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(Br)Br"	0	NA	NA	1	1	NA	"6941851"
"37608"	"37608"	"naphthol as-d"	"Oc1cc2ccccc2cc1C(=O)Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	75160	"2208200"
"37627"	"37627"	"1,5-diphenoxyanthraquinone"	"O=C1c2cccc(Oc3ccccc3)c2C(=O)c4cccc(Oc5ccccc5)c14"	0	""	""	1	1	6699	"82213"
"37641"	"37641"	"tricinolone acetophenonide"	"CC1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c6ccccc6"	0	""	""	1	1	235856	"3092828"
"37815"	"37815"	"2-(1,3-Oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide"	"O=C(CNc1occn1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CNc4occn4)cc3"	0	""	""	1	1	235925	""
"37876"	"37876"	""	"CN(C)CCCOc1ccc(OCCCN(C)C)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	1	1	NA	""
"37888"	"37888"	""	"CN(C)CCCOc1ccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccc(OCCCN(C)C)cc3)cc1"	0	NA	NA	2	1	NA	""
"37889"	"37889"	""	"CN(C)CCCOc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OCCCN(C)C"	0	NA	NA	2	2	NA	""
"37895"	"37895"	""	"CN(C)CCOc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OCCN(C)C"	0	NA	NA	2	2	NA	""
"37896"	"37896"	""	"CC(CN(C)C)Oc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3OC(C)CN(C)C"	0	NA	NA	2	1	NA	""
"37898"	"37898"	""	"CN(C)CCOc1cccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3cccc(OCCN(C)C)c3)c1"	0	NA	NA	2	2	NA	""
"37900"	"37900"	""	"CN(C)CCCSc1ccccc1NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3ccccc3SCCCN(C)C"	0	NA	NA	1	1	NA	""
"37901"	"37901"	""	"CN(C)CCCOc1cccc(NC2=C(Cl)C(=O)C(=C(Cl)C2=O)Nc3cccc(OCCCN(C)C)c3)c1"	0	NA	NA	2	2	NA	""
"37943"	"37943"	"o-phenethylnicotinaldoxime"	"C(Cc1ccccc1)O\N=C\c2cccnc2"	0	""	""	1	1	9561248	"71172651"
"38007"	"38007"	"XPVZKRRTCHLFRZ-UHFFFAOYSA-N"	"Oc1cc(nc2ccccc12)c3ccc(Cl)cc3"	0	""	""	1	1	236003	"6337515"
"38086"	"38086"	"(4-Chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate"	"Cn1cnc(c1S(=O)(=O)Oc2ccc(Cl)cc2)[N+](=O)[O-]"	0	""	""	1	1	236063	"6954343"
"38087"	"38087"	"5-Phenoxysulfonyl-1-methyl-4-nitroimidazole"	"Cn1cnc(c1S(=O)(=O)Oc2ccccc2)[N+](=O)[O-]"	0	""	""	2	2	81400	"6954354"
"38090"	"38090"	"Z1603789400"	"Cn1cnc(c1S(=O)(=O)Oc2cccc3ccccc23)[N+](=O)[O-]"	0	""	""	2	2	236065	"6339646"
"38186"	"38186"	"Mercury, (p-dioxane-2,5-diyldimethylene)bis[(octanoyloxy)-"	"CCCCCCCC(=O)O[Hg]CC1COC(C[Hg]OC(=O)CCCCCCC)CO1"	0	""	""	1	1	16683657	""
"38270"	"38270"	"olivomycin"	"COC(C1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C(C)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O"	0	NA	NA	12	7	NA	"102647165"
"38525"	"38525"	""	"CN(C)CC1CCCC(CN(C)C)C1=O"	0	NA	NA	2	2	NA	"20115177"
"38530"	"38530"	"2,8-Bis((dimethylamino)methyl)cyclooctanone hydrochloride"	"CN(C)CC1CCCCCC(CN(C)C)C1=O"	0	""	""	2	2	373400	"6333262"
"38534"	"38534"	"Cyclohexanone, 2-[(dimethylamino)methyl]-6-(piperidinome..."	"CN(C)CC1CCCC(CN2CCCCC2)C1=O"	0	NA	NA	3	3	NA	"6333284"
"38535"	"38535"	"2,6-bis(4-morpholinylmethyl)cyclohexanone,dihydrochloride"	"O=C1C(CN2CCOCC2)CCCC1CN3CCOCC3"	0	NA	NA	3	3	NA	"6333295"
"38643"	"38643"	"aquamycin"	"NC(=O)C#CC(=O)N"	0	NA	NA	2	2	NA	"543215"
"38663"	"38663"	"styrene, 3,4-dichloro-.beta.-nitro- (8ci)"	"[O-][N+](=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	54605559	"18984162"
"38684"	"38684"	"1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2- (2-phenyl..."	"CC(C)C1OC(OCC1(C)C)\C=C\c2ccccc2"	0	""	""	1	1	5351757	"61920534"
"38721"	"38721"	"Mitotane"	"ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl"	0	"A7|Ho|AlkAg|anti-Ho|CYP11A1"	"FDA approved"	50	2	NA	"53190"
"38732"	"38732"	"2-Amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine"	"CNc1ncnc(Sc2nc(N)nc3nc[nH]c23)c1[N+](=O)[O-]"	0	""	""	2	2	3246138	""
"38733"	"38733"	"2-((2-Amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone"	"Nc1nc(SCC(=O)c2ccc(Br)cc2)c3[nH]cnc3n1"	0	""	""	1	1	3246139	""
"38737"	"38737"	"Purine, 2-amino-6-(O-nitrobenzylthio)-"	"Nc1nc(SCc2ccccc2[N+](=O)[O-])c3[nH]cnc3n1"	0	""	""	2	1	3246141	""
"38743"	"38743"	"AK-94315"	"OC(=O)CCC1(NC(=O)NC1=O)c2ccccc2"	0	""	""	2	1	236331	"6939920"
"38777"	"38777"	"o-nitrophenyl succinic acid"	"OC(=O)CC(C(=O)O)c1ccccc1[N+](=O)[O-]"	0	""	""	1	1	236350	"6332941"
"38887"	"38887"	"guaneran"	"Cn1cnc(c1Sc2nc(N)nc3nc[nH]c23)[N+](=O)[O-]"	0	""	""	2	2	3379405	"5581522"
"39084"	"39084"	"Azathioprine Sodium"	"Cn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"446866"
"39135"	"39135"	"STK213636"	"[O-][N+](=O)c1cc(ccc1Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(F)(F)F"	0	""	""	1	1	236554	"365559"
"39147"	"39147"	"resactin a"	"CC1CC(C)(O)CC(C(O)CC2CC(=O)NC(=O)C2)C1=O"	0	""	""	2	1	91467	"523864"
"39199"	"39199"	"4-(Dimethylamino)-1,3-diphenylbutan-2-one"	"CN(C)CC(C(=O)Cc1ccccc1)c2ccccc2"	0	""	""	1	1	236584	"76932644"
"39202"	"39202"	"Cyclohexanone, 2,6-bis(piperidinomethyl)-"	"O=C1C(CN2CCCCC2)CCCC1CN3CCCCC3"	0	""	""	4	3	236587	""
"39215"	"39215"	""	"CNCC(SC)c1ccc(O)c(O)c1"	0	NA	NA	1	1	NA	""
"39277"	"39277"	"FCH840693"	"ClCCNC1=CNC(=O)NC1=O"	0	""	""	2	1	236633	"65689"
"39310"	"39310"	"Naphtho[1,2-b]quinolizinium, 13-methyl-, chloride"	"Cc1c2cccc[n+]2cc3ccc4ccccc4c13"	0	""	""	1	1	21144197	""
"39351"	"39351"	"2-Chloro-3-{[3-(propan-2-ylamino)propyl]amino}naphthalene-1,4-dione"	"CC(C)NCCCNC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	236655	""
"39356"	"39356"	""	"ClC1=C(NCCCN(CCCNC2=C(Cl)C(=O)c3ccccc3C2=O)C4=C(Cl)C(=O)c5ccccc5C4=O)C(=O)c6ccccc6C1=O"	0	NA	NA	1	1	NA	"22295870"
"39367"	"39367"	"9h-purine, 6-(allylthio)-9-.beta.-d-ribofuranosyl- (8ci)"	"OCC1OC(C(O)C1O)n2cnc3c(SCC=C)ncnc23"	0	""	""	1	1	236667	"13153190"
"39368"	"39368"	"SRI 1215"	"CCSc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	NA	"13286049"
"39575"	"39575"	""	"CCCCOC(=O)c1ccc(NC(=O)CCl)cc1"	0	NA	NA	1	1	NA	""
"39661"	"39661"	"IDOXURIDINE"	"OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O"	0	""	"FDA approved"	2	1	NA	"54422"
"39688"	"39688"	"Phenethylamine, N-isopropyl-.alpha.-methyl-, hydrochloride"	"CC(C)NC(C)Cc1ccccc1"	0	""	""	1	1	213535	"26640608"
"39779"	"39779"	""	"OC(=O)\C(=C/C(=O)c1ccc(Br)cc1)\O"	0	NA	NA	1	1	NA	"6314541"
"39789"	"39789"	"(Z)-3-(3-Nitrophenyl)-1-phenylprop-2-en-1-one;bromide"	"[O-][N+](=O)c1cccc(\C=C\C(=O)c2ccccc2)c1"	0	""	""	2	2	54605179	"6314610"
"39792"	"39792"	"WLN: T3OTJ BVR& CVR"	"O=C(C1OC1C(=O)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"4440986"
"39803"	"39803"	"2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl- (9CI)"	"O=C(\C=C\c1cccc2ccccc12)c3ccccc3"	0	""	""	2	1	5712119	"42299490"
"39851"	"39851"	""	"NCS(=O)(=O)O"	0	NA	NA	1	1	NA	"6939851"
"39863"	"39863"	"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-Trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol"	"C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc(ncc5C[C@]4(C)[C@H]3CC[C@]12C)c6ccccc6"	0	""	""	3	2	236853	""
"39969"	"39969"	"5-Chloro-6-nitroquinoline"	"[O-][N+](=O)c1ccc2ncccc2c1Cl"	0	""	""	1	1	236923	"58416323"
"40273"	"40273"	"10-Methyl-7h-benzo[c]phenothiazine"	"Cc1ccc2Nc3ccc4ccccc4c3Sc2c1"	0	""	""	1	1	237061	"6314369"
"40341"	"40341"	"1,4-naphthoquinone, 2,2'-(1,4-piperazinediyl)bis[3-chloro-"	"ClC1=C(N2CCN(CC2)C3=C(Cl)C(=O)c4ccccc4C3=O)C(=O)c5ccccc5C1=O"	0	""	""	3	3	237101	"6312476"
"40342"	"40342"	"STK535899"	"CN1CCN(CC1)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	1	237102	"6312487"
"40593"	"40593"	"2,4,5-trichloropyrimidine"	"Clc1ncc(Cl)c(Cl)n1"	0	""	""	2	2	237259	"5750765"
"40618"	"40618"	"2,6-dibenzylidenecyclohexanone"	"O=C1\C(=C\c2ccccc2)\CCC/C/1=C\c3ccccc3"	0	NA	NA	1	1	NA	"897789"
"40665"	"40665"	"PC 254"	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3C4OC(CO)C(O)C4O)[N+](=O)[O-]"	0	NA	NA	3	2	NA	"3384610"
"40693"	"40693"	"Cadmium, bis(2-amino-2-methyl-1-propanol-N,O)dichloro-"	"CC1(C)CO[Cd]2(Cl)(Cl)(NC(C)(C)CO2)N1"	0	""	""	1	1	412646	""
"40787"	"40787"	"2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine; 2,3,4,5,6-pentachlorophenol"	"CC(=C)CNCC(=C)C.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl"	0	""	""	1	1	237371	"6338676"
"40837"	"40837"	"1,2-ethanediphosphonic acid"	"OP(=O)(O)CCP(=O)(O)O"	0	""	""	1	1	80247	"6145319"
"41140"	"41140"	""	"CCN(CC)CCNc1ccc(c2Sc3cc(Cl)ccc3C(=O)c12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"6970327"
"41373"	"41373"	"Arsenobenzene"	"c1ccc(cc1)\[As]=[As]\c2ccccc2"	0	""	""	2	1	78277	"4519328"
"41390"	"41390"	"ANTINEOPLASTIC-41390"	"O=[As]c1ccc(cc1)C(=O)c2ccc(Oc3ccccc3)cc2"	0	""	""	2	2	237683	"6973962"
"41566"	"41566"	"ethyl phenylpropiolate"	"CCOC(=O)C#Cc1ccccc1"	0	""	""	1	1	91516	"2216946"
"41567"	"41567"	"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene"	"Clc1ccc(cc1)S(=O)(=O)Cc2ccc(Cl)cc2Cl"	0	""	""	2	2	237765	"6310367"
"41658"	"41658"	"(3-nitrophenyl)arsonous dichloride"	"[O-][N+](=O)c1cccc(c1)[As](Cl)Cl"	0	""	""	1	1	22753	"6306963"
"41805"	"41805"	"sulquin"	"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2"	0	""	""	2	1	5338	"59405"
"41880"	"41880"	"Bi-2,4-cyclopentadien-1-yl, decachloro-"	"ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl"	0	NA	NA	2	1	NA	"2227170"
"41890"	"41890"	"2,5-bis(chloromethyl)-p-xylene"	"Cc1cc(CCl)c(C)cc1CCl"	0	""	""	2	2	80530	"6298722"
"42044"	"42044"	"Lobendazole"	"CCOC(=O)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	NA	"6306714"
"42070"	"42070"	"1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea"	"Cc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2)cc1"	0	""	""	1	1	4268411	"2209258"
"42076"	"42076"	"sp g"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)c6ccccc6)c7cc8OCOc8cc27"	0	NA	NA	2	2	NA	"3268197"
"42138"	"42138"	"KC 60"	"Nc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1"	0	NA	NA	1	1	NA	"90772477"
"42258"	"42258"	""	"C(N1CCN(Cc2c[nH]c3ccccc23)CC1)c4c[nH]c5ccccc45"	0	NA	NA	1	1	NA	"6308685"
"42352"	"42352"	"Carbamic acid, (2-piperazinylethyl)dithio-"	"SC(=S)NCCN1CCNCC1"	0	""	""	1	1	3032930	"36001715"
"42369"	"42369"	"LS-144126"	"Oc1ccc(Cl)cc1\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	135538372	"28058299"
"42371"	"42371"	""	"Oc1ccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])c(O)c1"	0	NA	NA	1	1	NA	"28058380"
"42384"	"42384"	"9-benzyl-6-(benzylthio)-9H-purin-2-amine"	"Nc1nc(SCc2ccccc2)c3ncn(Cc4ccccc4)c3n1"	0	""	""	2	1	238161	"94333070"
"42405"	"42405"	"Propan-2-yl hexadecylcarbamate"	"CCCCCCCCCCCCCCCCNC(=O)OC(C)C"	0	""	""	2	1	238166	"6298788"
"42428"	"42428"	"LS-144130"	"Oc1ccccc1\C=N\N=C\2/NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	135538374	"24458251"
"42656"	"42656"	"N-(2-Furylmethyl)-2-(2-pyridinyl)ethanamine"	"C(Cc1ccccn1)NCc2occc2"	0	""	""	2	1	238327	"6312001"
"42679"	"42679"	"1-Phenyl-3-(4-pyridinyl)-1,3-propanedione"	"O=C(CC(=O)c1ccncc1)c2ccccc2"	0	""	""	2	1	238347	"6312205"
"42695"	"42695"	"2-Phenyl-4-pyridin-2-ylbutanoic acid"	"OC(=O)C(CCc1ccccn1)c2ccccc2"	0	""	""	2	1	238363	"6312318"
"42797"	"42797"	"3-Methyl-1-(2-quinolinyl)-2-butanone"	"CC(C)C(=O)Cc1ccc2ccccc2n1"	0	""	""	1	1	238450	"10554560"
"42808"	"42808"	"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone"	"CN(C)CCC(C(=O)C(C)(C)C)c1ccccn1"	0	""	""	1	1	238460	""
"42824"	"42824"	"2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine"	"C(CN1CCCC1)C(c2ccccc2)c3ccccn3"	0	""	""	1	1	238475	""
"42856"	"42856"	""	"COc1cccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])c1O"	0	NA	NA	1	1	NA	"28058368"
"42972"	"42972"	"1,1,3,4-Tetrabromo-4-phenylbutan-2-one"	"BrC(Br)C(=O)C(Br)C(Br)c1ccccc1"	0	""	""	1	1	238545	"6304558"
"43101"	"43101"	"1-[(4-Bromophenyl)amino]cyclopentanecarbonitrile"	"Brc1ccc(NC2(CCCC2)C#N)cc1"	0	""	""	1	1	238637	"73143109"
"43223"	"43223"	""	"Cl[Hg]c1cc(Br)cc(Br)c1"	0	NA	NA	1	1	NA	""
"43308"	"43308"	"2-Oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide"	"O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc2ccccc2"	0	""	""	2	2	238775	""
"43321"	"43321"	"ponticin"	"COc1ccc(\C=C\c2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)cc1O"	0	NA	NA	1	1	NA	"155588"
"43333"	"43333"	"p-Benzoquinone, trimethoxy-"	"COC1=CC(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	238795	"3117053"
"43339"	"43339"	"Nootkatin"	"CC(C)C1=C(CC=C(C)C)C=CC(=O)C(=C1)O"	0	NA	NA	2	2	NA	"4431032"
"43409"	"43409"	"(6-(6-Mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol"	"OCC1CCCC(O1)n2cnc3C(=S)N=CNc23"	0	""	""	1	1	4581572	""
"43413"	"43413"	"9-Benzyl-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purin-2-amine"	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3Cc4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	238855	""
"43486"	"43486"	"Morphothebaine, hydrochloride"	"COc1ccc2C[C@H]3N(C)CCc4cc(O)cc(c34)c2c1O"	0	NA	NA	4	1	NA	"6032662"
"43534"	"43534"	"2-amino-9-benzyladenine"	"Nc1nc(N)c2ncn(Cc3ccccc3)c2n1"	0	""	""	1	1	238930	"7674364"
"43567"	"43567"	"4-Methyl-7-methoxy-6-hydroxycoumarin"	"COc1cc2OC(=O)C=C(C)c2cc1O"	0	""	""	1	1	238946	"6345626"
"43578"	"43578"	"6-Butyl-7,8-dihydroxy-4-methylchromen-2-one"	"CCCCc1cc2C(=CC(=O)Oc2c(O)c1O)C"	0	""	""	1	1	5355695	"6345706"
"43628"	"43628"	"copper polyphthalocyanine"	"c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9ccccc9C%10=[N+]8[Cu+2]57[NH-]3C(=N%10)c2c1)c%11ccccc6%11)c%12ccccc4%12"	0	""	""	1	1	475701	"26893936"
"43675"	"43675"	"tptc"	"Cl[Sn](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	"639587"
"43684"	"43684"	"Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide"	"CC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c2ccccn2)(c3ccccn3)c4ccccn4"	0	""	""	1	1	24185840	""
"43959"	"43959"	"wln: 1n1&r dyunqr dn1&1"	"CN(C)c1ccc(cc1)C(=NO)c2ccc(cc2)N(C)C"	0	""	""	1	1	15581	"1714518"
"44102"	"44102"	"5-[2-(Benzyloxy)-2-methylpropyl]-5-methylimidazolidine-2,4-dione"	"CC(C)(CC1(C)NC(=O)NC1=O)OCc2ccccc2"	0	""	""	1	1	239211	"7153573"
"44185"	"44185"	"emetinetriiodobismuth(iii)"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45.I[Bi](I)I"	0	NA	NA	4	3	NA	""
"44230"	"44230"	"Dodecyl morpholine-4-carboximidate"	"CCCCCCCCCCCCOC(=N)N1CCOCC1"	0	""	""	2	1	239304	""
"44303"	"44303"	"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride"	"Nc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	215727	"945686"
"44477"	"44477"	"(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc2cc(Br)c3ccccc3c2c1"	0	""	""	1	1	5351779	"6632924"
"44489"	"44489"	"1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride"	"CCCCCCN(CCCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1"	0	""	""	1	1	54605561	""
"44580"	"44580"	"PC 287"	"CCCn1cnc2c(SCc3ccccc3Cl)nc(N)nc12"	0	""	""	1	1	239486	"92494536"
"44585"	"44585"	"PC 298"	"CC(C)Cn1cnc2c(Sc3c(ncn3C)[N+](=O)[O-])nc(N)nc12"	0	""	""	2	1	239491	"36892430"
"44684"	"44684"	"7,8-Dichloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione;hydrochloride"	"CN(C)CCCN1C2=NC(=O)NC(=O)C2=Nc3cc(Cl)c(Cl)cc13"	0	""	""	1	1	24185927	""
"44690"	"44690"	"pyronin b"	"CCN(CC)c1ccc2cc3ccc(cc3[o+]c2c1)N(CC)CC"	0	""	""	2	2	16524	"2150483"
"44753"	"44753"	"ACM39763025"	"O=C1C=CC(=O)N1CCCCCCCCCCN2C(=O)C=CC2=O"	0	""	""	1	1	239578	"39763025"
"45029"	"45029"	"1,4-Naphthoquinone, 2-chloro-3-furfurylamino-"	"ClC1=C(NCc2occc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	239677	"22359440"
"45074"	"45074"	"J3.545.223K"	"NC(Cc1ccccc1)c2nnn[nH]2"	0	""	""	1	1	239705	"31603062"
"45114"	"45114"	"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid"	"CN(CC(=O)O)Cc1c(O)c(Cl)cc(Cl)c1Cl"	0	""	""	1	1	239729	"5389300"
"45182"	"45182"	"Sodium;4-[(4-fluorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid"	"[Na+].Oc1c(N=Nc2ccc(F)cc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	135421951	"6300670"
"45236"	"45236"	"4,4,4-Trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one"	"CC12CCC(O)CC1CCC3C4CCC(C(=O)CC(O)C(F)(F)F)C4(C)CCC23"	0	""	""	2	2	239763	"1554321"
"45238"	"45238"	"[(3S,8R,9S,10R,13S,14S,16E)-16-(1-Acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C(/OC(=O)C)\C(F)(F)F)\C4=O)[C@@H]3CC=C2C1"	0	""	""	3	2	5351782	"1993233"
"45291"	"45291"	"thiopicolinanilide"	"S=C(Nc1ccccc1)c2ccccn2"	0	""	""	1	1	759327	"13225848"
"45384"	"45384"	"mes (van)"	"COC(=O)c1nc(c(N)c(c1C)c2ccc(OC)c(OC)c2O)c3ccc4C(=O)C(=C(N)C(=O)c4n3)OC"	0	""	""	2	2	18834	"3398489"
"45388"	"45388"	"DACARBAZINE"	"CN(C)N=Nc1[nH]cnc1C(=O)N"	0	"A7|AlkAg"	"FDA approved"	55	19	NA	"4342034"
"45527"	"45527"	"m-Toluenesulfonamide, 6-[(4-amino-o-tolyl)azo]-"	"Cc1ccc(N=Nc2ccc(N)cc2C)c(c1)S(=O)(=O)N"	0	""	""	1	1	239838	"6300103"
"45548"	"45548"	"Acid Orange R"	"[Na+].Oc1c(N=Nc2ccccc2)c3ccc(cc3cc1S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	NA	"5859007"
"45561"	"45561"	"Sodium;7-hydroxy-8-[(4-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid"	"[Na+].Cc1ccc(cc1)N=Nc2c(O)ccc3cc(cc(c23)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	135421996	"6970225"
"45565"	"45565"	"p-Hydroxy-p-bis azobenzene"	"Oc1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccccc3"	0	NA	NA	1	1	NA	"6250233"
"45595"	"45595"	"3-Hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide"	"Oc1c(cc2ccccc2c1N=Nc3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccccc4"	0	""	""	1	1	239856	"6300512"
"45596"	"45596"	"3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide"	"Oc1c(cc2ccccc2c1N=Nc3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccccc4"	0	""	""	1	1	239857	"6300523"
"45641"	"45641"	"2-Propanone, 2-(9H-purin-6-yl)hydrazone"	"CC(=N\N=C\1/N=CNc2nc[nH]c12)C"	0	""	""	2	2	520491	""
"45730"	"45730"	"N1-(7-Chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine"	"CN(C)CCCNc1c2CCCCc2nc3ccc(Cl)cc13"	0	""	""	2	1	239932	"6297843"
"45739"	"45739"	"2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione"	"ClC1=C(Nc2ccc(Nc3ccccc3)c(NC4=C(Cl)C(=O)c5ccccc5C4=O)c2)C(=O)c6ccccc6C1=O"	0	""	""	1	1	413256	"7153722"
"45828"	"45828"	"Purine, 2,6,8-tris(hexylamino)-"	"CCCCCCNc1nc(NCCCCCC)c2[nH]c(NCCCCCC)nc2n1"	0	""	""	2	2	3354028	""
"45831"	"45831"	"N-benzyl-N,N-dimethyl-2-(2-(4-(2,2,4,4-tetramethylpentyl..."	"CC(C)(C)CC(C)(C)Cc1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"45940"	"45940"	"1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea"	"COc1cc(NC(=O)NCc2occc2)ccc1c3ccc(NC(=O)NCc4occc4)cc3OC"	0	""	""	1	1	240061	"6298302"
"46061"	"46061"	"Butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazi..."	"CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1"	0	NA	NA	3	2	NA	""
"46085"	"46085"	"Thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-nitro..."	"CN(C)CCNc1ccc(c2Sc3ccccc3C(=O)c12)[N+](=O)[O-]"	0	""	""	1	1	24186124	""
"46213"	"46213"	"1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea"	"CCOc1ccc(NC(=O)Nc2cc(ccc2C)C(C)C)cc1"	0	""	""	2	2	240168	"6341384"
"46401"	"46401"	".alpha.-Sarcin"	""	0	NA	NA	2	2	NA	"16714571"
"46598"	"46598"	"(3Z)-3-Benzylidene-6-methylheptane-2,4-dione"	"CC(C)CC(=O)\C(=C/c1ccccc1)\C(=O)C"	0	""	""	1	1	54603898	""
"46647"	"46647"	"[1-(Ethoxycarbonyl)-2-oxocyclopentyl]acetic acid"	"CCOC(=O)C1(CC(=O)O)CCCC1=O"	0	""	""	1	1	240444	"6342785"
"46683"	"46683"	"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	1	1	240478	"6342990"
"46691"	"46691"	""	"Clc1ccc(\C=N/NC(=N)C(=N)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1"	0	NA	NA	2	2	NA	""
"46728"	"46728"	"Crassin acetate"	"CC(=O)OC1C\C(=C\CC\C(=C/CCC(C)(O)C2CC1C(=C)C(=O)O2)\C)\C"	0	""	""	2	2	5355441	"28028684"
"46788"	"46788"	"8-Azaguanosine"	"NC1=NC(=O)c2nnn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	NA	"2133804"
"47147"	"47147"	"Prodigiosin"	"CCCCCC1=C\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135408511	"82893"
"47384"	"47384"	"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide"	"NC1=C(Cl)C(=O)c2cc(ccc2C1=O)S(=O)(=O)N.NC3=C(Cl)C(=O)c4ccc(cc4C3=O)S(=O)(=O)N"	0	""	""	2	2	240739	""
"47438"	"47438"	"Fluorometholone acetate"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	NA	NA	1	1	NA	"3801067"
"47468"	"47468"	"1-N',2-N'-Bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide"	"Oc1ccc(\C=N/NC(=N)C(=N)N\N=C\c2ccc(O)cc2)cc1"	0	""	""	2	2	135408516	""
"47657"	"47657"	"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene"	"[O-][N+](=O)c1ccc(Oc2cccc(c2)C(F)(F)F)c(c1)[N+](=O)[O-]"	0	""	""	1	1	240863	""
"47713"	"47713"	"oil red b"	"Oc1ccc2ccccc2c1N=Nc3cccc4ccccc34"	0	NA	NA	1	1	NA	"2653647"
"47715"	"47715"	"diacromo blue g"	"[Na+].Oc1cc(c2ccccc2c1N=Nc3ccc4ccccc4c3O)S(=O)(=O)O"	0	NA	NA	1	1	NA	"3564145"
"47719"	"47719"	"safranin"	"Cc1cc2nc3cc(C)c(N)cc3[n+](c4ccccc4)c2cc1N"	0	""	""	2	2	2723800	"477736"
"47723"	"47723"	"red l"	"Oc1ccc2ccccc2c1N=Nc3ccc(cc3)N=Nc4ccc(cc4)S(=O)(=O)O"	0	NA	NA	2	1	NA	"6406560"
"47731"	"47731"	"Gentian Violet B"	"CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1"	0	""	""	2	2	196986	"603474"
"47786"	"47786"	"9h-purine, 2-amino-6-(2,4-dichlorobenzylthio)-9-isobutyl-"	"CC(C)Cn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc12"	0	""	""	1	1	240896	"94094163"
"48006"	"48006"	"5-Fluoro-2-Deoxycytidine"	"NC1=NC(=O)N(C=C1F)C2CC(O)C(CO)O2"	0	NA	NA	3	2	NA	"10356760"
"48034"	"48034"	"Aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(..."	"Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N3CC3"	0	""	""	2	2	241000	""
"48151"	"48151"	"NCIMech_000212"	"CC(C)(C)c1ccc(O)c(CN(Cc2cc(ccc2O)C(C)(C)C)C3CCCCC3)c1"	0	""	""	2	1	241052	"4660542"
"48160"	"48160"	"4-tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol"	"Cc1cc(cc(CNC2CCCCC2)c1O)C(C)(C)C"	0	""	""	1	1	241059	"6640900"
"48162"	"48162"	"1-[[(2-Hydroxynaphthalen-1-yl)methylamino]methylidene]naphthalen-2-one"	"Oc1ccc2ccccc2c1C\N=C\c3c(O)ccc4ccccc34"	0	""	""	1	1	241061	"6640911"
"48229"	"48229"	"NIOSH/DL3650000"	"COc1ccc(cc1OC)c2nc3ccccc3s2"	0	""	""	1	1	241105	"6638455"
"48238"	"48238"	"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea"	"Oc1ccc(Cl)cc1\C=N\NC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	135408530	"6638524"
"48241"	"48241"	"1-[(Z)-(3-Ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea"	"CCOc1cc(\C=N\NC(=O)N\N=C\c2ccc(O)c(OCC)c2)ccc1O"	0	""	""	2	2	135408532	""
"48269"	"48269"	""	"COc1cccc2C(=O)c3ccccc3c12"	0	NA	NA	1	1	NA	"4269163"
"48300"	"48300"	"antineoplastic-48300"	"O[As](=O)(O)c1ccc(Cc2ccc(cc2)[As](=O)(O)O)cc1"	0	""	""	2	2	241158	""
"48526"	"48526"	""	"O\N=C/1\C(=O)c2ccccc2c3ccccc13"	0	NA	NA	2	2	NA	"14140046"
"48630"	"48630"	""	"CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	2	2	NA	""
"48648"	"48648"	"GNF-Pf-2144"	"CCSC1=CC(=O)c2ccccc2C1=O"	0	""	""	2	2	241362	"36623662"
"48653"	"48653"	"LS-33601"	"Cc1ccc2C(=O)NSc2c1"	0	""	""	1	1	96023	"4337477"
"48693"	"48693"	"2-(benzo[d]oxazol-3(2H)-ylmethyl)-5-((cyclohexylamino)me..."	"Oc1cc(CN2COc3ccccc23)c(O)cc1CNC4CCCCC4"	0	NA	NA	1	1	NA	""
"48856"	"48856"	"2,4-Dibromo-6-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]phenol"	"CN(Cc1cc(Br)cc(Br)c1O)Cc2cc(Br)cc(Br)c2O"	0	""	""	1	1	241461	"92434827"
"48874"	"48874"	"Probes1_000359"	"Oc1c(Cl)cc(CN(Cc2cc(Cl)c(O)c(Cl)c2)C3CCCCC3)cc1Cl"	0	""	""	1	1	241476	"6640400"
"48888"	"48888"	""	"Sc1cccc2cccnc12"	0	NA	NA	2	2	NA	"491338"
"48890"	"48890"	"KSC174Q0B"	"Oc1cccc2CCCNc12"	0	""	""	2	2	241490	"6640502"
"48892"	"48892"	"5-BENZOYLQUINOLIN-8-OL"	"Oc1ccc(C(=O)c2ccccc2)c3cccnc13"	0	""	""	1	1	241492	"1028713"
"48956"	"48956"	"0199AC"	"Nc1ccc2NCCNc2c1"	0	""	""	1	1	241506	"6639914"
"49096"	"49096"	""	"OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1"	0	NA	NA	1	1	NA	"6640091"
"49244"	"49244"	"L-Cysteine, S-ethyl- (9CI)"	"CCSCC(N)C(=O)O"	0	NA	NA	1	1	NA	"2629596"
"49451"	"49451"	"Cucurbitacin B"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	2	2	NA	"6199673"
"49452"	"49452"	"Fabacein"	"CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(=O)C"	0	""	""	2	2	5356030	"37710137"
"49460"	"49460"	"1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium"	"CC1=NCC[N+]1(CCc2ccccc2)Cc3ccccc3"	0	""	""	1	1	413544	""
"49488"	"49488"	"N,N'-Bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide"	"Oc1ccccc1\C=N/NC(=O)CCCCCCCCC(=O)N\N=C\c2ccccc2O"	0	""	""	2	2	135408549	"5287274"
"49490"	"49490"	"N,N'-Bis[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]decanediamide"	"Oc1ccc(Cl)cc1\C=N/NC(=O)CCCCCCCCC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	2	2	135408550	""
"49495"	"49495"	"Adipic acid bis(N'-salicylidene hydrazide)"	"Oc1ccccc1\C=N/NC(=O)CCCCC(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	135408551	"5287263"
"49502"	"49502"	"N,N'-Bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide"	"Clc1ccccc1\C=N/NC(=O)CCCCC(=O)N\N=C\c2ccccc2Cl"	0	""	""	1	1	5539412	""
"49512"	"49512"	"Thiram"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	1	1	NA	"137268"
"49520"	"49520"	"o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-"	"Cc1cc(ccc1C=O)N(CCCl)CCCl"	0	""	""	2	2	141295	"26459950"
"49565"	"49565"	"STL405613"	"Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1"	0	""	""	1	1	241732	""
"49689"	"49689"	""	"OC(=O)\C=C\C(=O)Nc1cccc2C(=O)c3ccccc3c12"	0	NA	NA	2	2	NA	"6632559"
"49733"	"49733"	"Benzhydrylsulfonylsulfanylmethylbenzene"	"O=S(=O)(SCc1ccccc1)C(c2ccccc2)c3ccccc3"	0	""	""	1	1	241855	""
"49842"	"49842"	"Vinblastine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	129	78	NA	"143679"
"50076"	"50076"	"D-Mannitol, 1,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy..."	"OC(CN(CCCl)CCCl)C(O)C(O)C(O)CN(CCCl)CCCl"	0	NA	NA	1	1	NA	""
"50137"	"50137"	"2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid"	"OCC(c1ccccc1)S(=O)(=O)O.OS(=O)(=O)Cc2ccccc2"	0	""	""	2	1	413606	""
"50188"	"50188"	"2'-Chloroflavanone"	"Clc1ccccc1C2CC(=O)c3ccccc3O2"	0	""	""	1	1	242063	"6344247"
"50189"	"50189"	"3'-Chloroflavanone"	"Clc1cccc(c1)C2CC(=O)c3ccccc3O2"	0	""	""	1	1	242064	"1849598"
"50190"	"50190"	"4'-Chloroflavanone"	"Clc1ccc(cc1)C2CC(=O)c3ccccc3O2"	0	""	""	1	1	242065	"3034104"
"50273"	"50273"	"Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzyl..."	"Cc1cc(ccc1\C=N\c2cccnc2)N(CCCl)CCCl"	0	""	""	2	2	242100	""
"50413"	"50413"	"tardolyt"	"COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"313677"
"50463"	"50463"	""	"O=C(Nc1cccc(c1)C2=NCCN2)c3ccc(OCCCOc4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6)cc3"	0	NA	NA	1	1	NA	""
"50567"	"50567"	"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine"	"Cc1cc(C)c2c(SCc3ccc(Cl)cc3Cl)nc(N)nc2n1"	0	""	""	1	1	242225	""
"50643"	"50643"	"Benzamide, 5-chloro-N-(3-chlorophenyl)-2-hydroxy- (9CI)"	"Oc1ccc(Cl)cc1C(=O)Nc2cccc(Cl)c2"	0	NA	NA	2	2	NA	"22203981"
"50648"	"50648"	"STK366297"	"Oc1c(ccc2ccccc12)C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	242249	"71835659"
"50683"	"50683"	"C.I. Azoic Coupling Component 22"	"Oc1cc2ccccc2cc1C(=O)Nc3cccc(Cl)c3"	0	NA	NA	1	1	NA	"5442400"
"50686"	"50686"	"sanatol tr"	"Cc1cc(Cl)ccc1NC(=O)c2cc3ccccc3cc2O"	0	NA	NA	2	2	NA	"92762"
"50827"	"50827"	"1-[(Z)-(2-Hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea"	"Oc1ccccc1\C=N\NC(=S)N\N=C\c2ccccc2O"	0	""	""	1	1	135408564	"6327271"
"50869"	"50869"	"5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole"	"COc1cc(cc(OC)c1OC)C(=O)c2ccc3OCOc3c2"	0	""	""	2	2	242314	"6327544"
"50974"	"50974"	""	"OC(=O)CS1CC(=O)O[Cu]12OC(=O)CS2CC(=O)O"	0	NA	NA	2	1	NA	""
"51001"	"51001"	"Carbomycin"	"CO[C@H]1[C@@H](CC(=O)O[C@H](C)C[C@@H]2OC2\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C"	0	NA	NA	1	1	NA	"4564878"
"51045"	"51045"	"n-acetylcolchinol"	"COc1cc2CC[C@H](NC(=O)C)c3cc(O)ccc3c2c(OC)c1OC"	0	NA	NA	2	2	NA	"38838265"
"51046"	"51046"	"n-acetylcolchinol, methyl ether"	"COc1ccc2c(c1)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	7	4	NA	"65967013"
"51143"	"51143"	"Pyrazoloimidazole"	"C1Cn2nccc2N1"	0	"Ds|Rs"	""	11	6	NA	"6714290"
"51146"	"51146"	"win 20226"	"CCN(CC)CC(C)Nc1ccc(c2Sc3ccccc3C(=O)c12)[N+](=O)[O-]"	0	""	""	2	2	24186469	""
"51148"	"51148"	"Caddy"	"Cl[Cd]Cl"	0	""	""	8	7	24947	"10108642"
"51351"	"51351"	"CHALCONE,2-HYDROXY-4,6-DIMETHYL"	"COc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OC)c1"	0	""	""	1	1	5356121	"76554240"
"51361"	"51361"	"1-[(Z)-(2-Nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea"	"[O-][N+](=O)c1ccccc1\C=N\NC(=S)N\N=C\c2ccccc2[N+](=O)[O-]"	0	""	""	1	1	54601410	"6344996"
"51369"	"51369"	"C13H9NOS"	"Oc1cccc(c1)c2nc3ccccc3s2"	0	""	""	1	1	242605	"25389280"
"51524"	"51524"	"sudan j"	"Oc1ccc2ccccc2c1N=Nc3ccccc3"	0	NA	NA	1	1	NA	"842079"
"51534"	"51534"	"Aizen Victoria Blue BO"	"CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14"	0	NA	NA	2	2	NA	"2390605"
"51535"	"51535"	"navinon black bb"	"[O-][N+](=O)c1ccc2c(c1)C(=O)c3ccc4c5ccc6C(=O)c7cc(ccc7c8ccc(c9ccc2c3c49)c5c68)[N+](=O)[O-]"	0	""	""	1	1	80733	""
"51562"	"51562"	"Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylt..."	"CSc1ncc(Br)c(Sc2nc(N)nc3nc[nH]c23)n1"	0	""	""	1	1	4393482	"68498464"
"51857"	"51857"	"Palladate(2-), dichlorobis(6H-purine-6-thionato-N(7),S(6..."	"Cl[Pd]12(Cl)(S=C3N=CNc4[nH]c[n+]1c34)S=C5N=CNc6[nH]c[n+]2c56"	0	""	""	2	2	135403629	""
"51916"	"51916"	"Heptanamide, N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-c..."	"CCCCCCC(=O)NC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NC(=O)CCCCCC"	0	""	""	1	1	242907	"4873410"
"52003"	"52003"	"AF-399/14739252"	"Brc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(Br)cc3"	0	""	""	1	1	242937	""
"52141"	"52141"	"nonactin"	"C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O[C@@H](C)C[C@@H]5CC[C@@H](O5)[C@@H](C)C(=O)O1"	0	NA	NA	2	2	NA	"6833847"
"52245"	"52245"	"Methylestradiol"	"C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"	0	""	""	1	1	66413	"302761"
"52384"	"52384"	"KC 516"	"CCSc1ncc(Br)c(Sc2nc(N)nc3nc[nH]c23)n1"	0	""	""	1	1	5228354	"91348719"
"52389"	"52389"	""	"OC(=O)C1=C(CN2CCCCC2)C(=O)NC(=O)N1"	0	NA	NA	1	1	NA	""
"52426"	"52426"	"LS-94160"	"Oc1ccc2ccccc2c1\C=N\N=C/3\NC=C(C=C3)[N+](=O)[O-]"	0	""	""	1	1	135408599	"28058357"
"52427"	"52427"	"LS-144122"	"Oc1ccc(Br)cc1\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-]"	0	""	""	1	1	135408600	"28058302"
"52429"	"52429"	"LS-162021"	"COc1ccc(\C=N\N=C/2\NC=C(C=C2)[N+](=O)[O-])cc1OC"	0	""	""	1	1	6058184	"28058379"
"52440"	"52440"	"6-((4-Chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine"	"Clc1ccc(CSc2ncnc3c2ncn3C4CCCCO4)cc1"	0	""	""	1	1	243154	""
"52627"	"52627"	"NE11486"	"O=C1C=CC(=O)N1c2ccc3ccccc3c2"	0	""	""	1	1	243251	"6637452"
"52745"	"52745"	"1H-Naphth[2,3-d]imidazole-4,9-dione, 2-methyl-3-[(4-nitr..."	"Cc1[n+](Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c3n1c5ccccc5"	0	NA	NA	3	3	NA	""
"53101"	"53101"	"RCH 108"	"OC1=CC=C(C=CC1=O)N=O"	0	""	""	2	2	16807	"2297941"
"53183"	"53183"	"8-Hydroxy-5-iodoquinoline"	"Oc1ccc(I)c2cccnc12"	0	""	""	1	1	96111	"13207631"
"53184"	"53184"	"2,4,5-Trichloro-6-phenylpyrimidine"	"Clc1nc(Cl)c(Cl)c(n1)c2ccccc2"	0	""	""	1	1	243422	"86984192"
"53292"	"53292"	"Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate"	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(Cc2ccccc2)NC(=O)C"	0	""	""	3	2	243456	"13555254"
"53327"	"53327"	"N,N'-Bis(salicylideneamino)oxamide"	"Oc1ccccc1\C=N/NC(=O)C(=O)N\N=C\c2ccccc2O"	0	""	""	1	1	135408610	"5287252"
"53396"	"53396"	"actinogen"	"C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CCOC5=O)OC6OC(CO)C(O)C(O)C6O"	0	NA	NA	6	2	NA	"36983694"
"53398"	"53398"	"A 8671K119"	""	0	NA	NA	4	4	NA	"1406720"
"53454"	"53454"	"2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate"	"CC(=O)OC(C)(C)N=Nc1ccc(Br)cc1"	0	""	""	3	2	243545	"6943540"
"53638"	"53638"	"fluorophenothiazine dihydrochloride"	"OCCOCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1"	0	NA	NA	1	1	NA	"1827914"
"53861"	"53861"	"1-[N'-[4-[(6-Methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	54601442	""
"53866"	"53866"	"Dihydrorotenone"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C"	0	NA	NA	2	2	NA	"6659456"
"53892"	"53892"	"progesterone, 11.beta.,17-dihydroxy-6.alpha.-methyl-"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14"	0	""	""	1	1	243748	"7055530"
"54042"	"54042"	"N'-[1-(2,4-Dihydroxyphenyl)ethylidene]isonicotinohydrazide"	"C\C(=N/NC(=O)c1ccncc1)\c2ccc(O)cc2O"	0	""	""	1	1	135408621	"792381"
"54044"	"54044"	"N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-ca..."	"C\C(=N/NC(=O)c1ccncc1)\c2ccc3ccccc3c2O"	0	""	""	2	2	135408622	""
"54059"	"54059"	"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-"	"CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C"	0	""	""	4	4	97887	"3901517"
"54101"	"54101"	"Adenine, 9,9'ethylenebis(N,N-dimethyl-"	"CN(C)c1ncnc2c1ncn2CCn3cnc4c(ncnc34)N(C)C"	0	""	""	1	1	243877	""
"54251"	"54251"	"AK103525"	"OCCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	""	""	1	1	243943	"4338481"
"54278"	"54278"	"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine"	"Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C"	0	""	""	1	1	243964	"6944167"
"54340"	"54340"	"2-aminopregn-5-en-3-yl acetate acetate"	"CCC1CCC2C3CC=C4CC(OC(=O)C)C(N)CC4(C)C3CCC12C"	0	""	""	2	1	243988	""
"54393"	"54393"	"ALBB-024126"	"[O-][N+](=O)c1ccc(cc1)C2=NCCO2"	0	""	""	1	1	244028	"7465636"
"54548"	"54548"	"1,2-Dimethoxy-4-(2-nitropropenyl)benzene"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1OC"	0	NA	NA	2	1	NA	"122474"
"54690"	"54690"	"N-[(E)-1-(2,3,4-Trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide"	"CCCCCCCCC\C(=N/NC(=O)c1ccncc1)\c2ccc(O)c(O)c2O"	0	""	""	2	2	135408642	""
"54702"	"54702"	"Flumethasone"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO"	0	NA	NA	1	1	NA	"2135173"
"54709"	"54709"	"Androst-5-en-17one, 3.beta.-hydroxy-16-(1-pyrrolidinylme..."	"CC12CCC(O)CC1=CCC3C2CCC4(C)C3C\C(=C\N5CCCC5)\C4=O"	0	""	""	1	1	6147639	"26013821"
"54848"	"54848"	"1-[N'-[3-[(6-Methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	3	3	54599371	"7402111"
"54849"	"54849"	"1-[N'-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCCCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	54605283	"7403670"
"54854"	"54854"	"SY198913"	"OC(=O)Cc1cc(Cl)ccc1O"	0	""	""	2	1	244199	"24161384"
"54902"	"54902"	"vanitile"	"O=C1\C(=C\c2cccs2)\CCC/C/1=C\c3cccs3"	0	NA	NA	2	2	NA	"893016"
"54909"	"54909"	"Propan-1-one, 2,3-dichloro-1,3-bis(4-methylphenyl)-"	"Cc1ccc(cc1)C(Cl)C(Cl)C(=O)c2ccc(C)cc2"	0	""	""	2	2	244246	""
"54916"	"54916"	""	"Clc1ccc(\C=C\2/CCC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	"18989827"
"55114"	"55114"	"NE51905"	"CC(C)(C)CNCCO"	0	""	""	2	1	244282	"7403681"
"55236"	"55236"	"2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole"	"CCCCCCCCCCCCCCCCN1CC2CCCCC2C1"	0	""	""	1	1	54609620	"6624164"
"55720"	"55720"	"Phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester"	"[O-][P-](Oc1ccc2ccccc2c1)(N3CC3)N4CC4"	0	NA	NA	1	1	NA	"41657414"
"55804"	"55804"	"n-(2-Nitrophenyl)-9h-xanthen-9-amine"	"[O-][N+](=O)c1ccccc1NC2c3ccccc3Oc4ccccc24"	0	""	""	1	1	244706	"6630791"
"55849"	"55849"	"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone"	"[O-][N+](=O)c1ccc(cc1)C2CN=NC2C(=O)c3ccccc3"	0	""	""	1	1	244737	"6631090"
"55861"	"55861"	"Benzaurin"	"Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccccc3"	0	""	""	1	1	244745	"569608"
"56030"	"56030"	"1-(2-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine"	"CCc1ccccc1N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	5	3	244818	""
"56054"	"56054"	"ATPU"	"NC(=N)SCc1c2ccccc2c(CSC(=N)N)c3ccccc13"	0	NA	NA	1	1	NA	"3063896"
"56287"	"56287"	"5-{[5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrimidine-2,4(1h,3h)-dione"	"CSc1nc(Cl)c(Br)c(NC2=CNC(=O)NC2=O)n1"	0	""	""	1	1	244944	"7356334"
"56410"	"56410"	"PORFIROMYCIN"	"CO[C@@]12[C@H](COC(=O)N)C3=C(N1C[C@H]4[C@@H]2N4C)C(=O)C(=C(N)C3=O)C"	0	"A7|AlkAg"	""	8	6	NA	"801525"
"56452"	"56452"	"9-Isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine"	"CC(C)Cn1cnc2c(SCc3c(C)ccc4ccccc34)nc(N)nc12"	0	""	""	2	2	244996	""
"56544"	"56544"	""	"O=C1\C(=C/c2cccs2)\Oc3ccccc13"	0	NA	NA	1	1	NA	"6622226"
"56591"	"56591"	"1-[N'-[2-[(6-Methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride"	"COc1cc(NCCNC(=N)NC(=N)NC(C)C)c2ncccc2c1"	0	""	""	2	2	54611977	"6960630"
"56612"	"56612"	"N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine"	"CCN(CC)CCCC(C)Nc1ccnc2cc(OC)ccc12"	0	""	""	1	1	245068	"7597093"
"56624"	"56624"	"7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine"	"Clc1ccc2c(NC3CCC(CC3)N4CCCCC4)ccnc2c1"	0	""	""	1	1	245078	"6632991"
"56633"	"56633"	"2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid"	"COc1cc(NCCCCCNC(=N)N)c2ncccc2c1"	0	""	""	2	2	24186907	"6633074"
"56646"	"56646"	"N-Butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide"	"CCCCNCCCCCNc1cc(OC)cc2cccnc12"	0	""	""	1	1	54603801	"6633165"
"56677"	"56677"	"WLN: L B656 HHJ DE EZ FE LE"	"Nc1c(Br)cc2c(Cc3cc(Br)ccc23)c1Br"	0	""	""	1	1	12885	"724312"
"56736"	"56736"	"N-[(E)-(3-Chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide"	"CC(SC(C)C(=O)N\N=C\c1cccc(Cl)c1)C(=O)N\N=C\c2cccc(Cl)c2"	0	""	""	1	1	54599374	"6938994"
"56779"	"56779"	"4-(1H-Benzimidazol-2-ylmethylamino)benzoic acid;hydrochloride"	"OC(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1"	0	""	""	2	2	54602043	""
"56805"	"56805"	"2,5-Diphenyl-1,4-dithiin"	"S1C=C(SC=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	245172	"4159039"
"56808"	"56808"	"Quinaldine Blue"	"CCN1\C(=C\C=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	NA	NA	1	1	NA	"2768903"
"56817"	"56817"	"(+/-)-gossypol"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	2	1	NA	"303457"
"56902"	"56902"	"GVELGZSFVZANIL-UHFFFAOYSA-N"	"CN1N=C(C)C(=O)N(C)C1=S"	0	""	""	1	1	245197	"1566309"
"57048"	"57048"	"2-Azaadenine"	"Nc1nnnc2nc[nH]c12"	0	""	""	2	2	5480214	"2308567"
"57187"	"57187"	""	"CCOc1ccc(\C=C\[N+](=O)[O-])cc1"	0	NA	NA	1	1	NA	"6946301"
"57197"	"57197"	"Caffeic acid"	"OC(=O)\C=C\c1ccc(O)c(O)c1"	0	""	"FDA approved"	2	1	NA	"331395"
"57199"	"57199"	"merophan"	"NC(Cc1ccccc1N(CCCl)CCCl)C(=O)O"	0	""	""	2	2	9571	"342950"
"57715"	"57715"	""	"Oc1c(Br)cc(Cl)cc1C(c2cc(Cl)cc(Br)c2O)C(Cl)(Cl)Cl"	0	NA	NA	2	1	NA	"7144630"
"57759"	"57759"	""	"COc1cc(\C=C(\C)/[N+](=O)[O-])ccc1O"	0	NA	NA	2	1	NA	"5395471"
"57864"	"57864"	"NIOSH/XU5145000"	"Cc1ccc(Nc2cc(Cl)c(cc2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	2	2	245680	"7508498"
"57958"	"57958"	"n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline"	"Cc1ccc(NCSc2ccc(Cl)cc2)cc1"	0	""	""	1	1	245731	"6632004"
"57969"	"57969"	"DNDI1416985"	"Oc1c(CN2CCCCC2)ccc3cccnc13"	0	""	""	1	1	245742	"6632093"
"58011"	"58011"	"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione"	"CN(C)c1ccc(cc1)C(O)C2=CC(=O)c3ccccc3C2=O"	0	""	""	1	1	245772	"6629192"
"58180"	"58180"	"2-Imidazoline, 2-undecyl-"	"CCCCCCCCCCCC1=NCCN1"	0	""	""	1	1	245858	"10443615"
"58239"	"58239"	"blastmycin"	"CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O"	0	NA	NA	7	5	NA	"522703"
"58255"	"58255"	"11-(4-Morpholinyl)-11H-indeno[1,2-b]quinoline"	"C1CN(CCO1)C2c3ccccc3c4nc5ccccc5cc24"	0	""	""	1	1	245879	"6626637"
"58329"	"58329"	"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-"	"OCCCNC(=O)c1cc(Cl)ccc1O"	0	""	""	2	1	245913	"6626911"
"58338"	"58338"	"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione"	"CCN(CC)c1ccc(cc1)C(O)C2=CC(=O)c3ccccc3C2=O"	0	""	""	2	2	245920	"6627152"
"58368"	"58368"	"Fugillin dicyclohexylamine salt"	"COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(=O)O"	0	NA	NA	4	3	NA	""
"58385"	"58385"	"Thiocyanic acid, 1H-purin-6-yl ester (9CI)"	"N#CSc1ncnc2nc[nH]c12"	0	""	""	2	2	96185	"19447735"
"58514"	"58514"	"Chromomycin A3"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)C)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	26	14	NA	"7059247"
"58539"	"58539"	"Benzoic acid, m-nitro-, salicylidenehydrazide"	"Oc1ccccc1\C=N\NC(=O)c2cccc(c2)[N+](=O)[O-]"	0	""	""	2	2	135408681	"82859787"
"58573"	"58573"	"Pyrimidine, 2,4,5-trichloro-6-ethyl-"	"CCc1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	246015	"6585484"
"58574"	"58574"	"Pyrimidine, 2,4,5-trichloro-6-propyl-"	"CCCc1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	246016	"89793726"
"58575"	"58575"	"Pyrimidine, 2,4,5-trichloro-6-isopropyl-"	"CC(C)c1nc(Cl)nc(Cl)c1Cl"	0	""	""	2	2	246017	"89793715"
"58634"	"58634"	"2-Bromoethyl 4-chloro-3-nitrobenzoate"	"[O-][N+](=O)c1cc(ccc1Cl)C(=O)OCCBr"	0	""	""	2	2	246056	""
"58903"	"58903"	"[[(3Z)-3-Amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate"	"N=C(NOC(=O)c1ccccc1)C(C2CCCCC2)C(=O)NOC(=O)c3ccccc3"	0	""	""	1	1	44825805	""
"58904"	"58904"	"Hydrocinnamohydroxamic acid,.alpha.-(N-hydroxyamidino)-,..."	"N=C(NOC(=O)c1ccccc1)C(Cc2ccccc2)C(=O)NOC(=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"58905"	"58905"	"BC 76"	"ClCCn1cnc2c(SCc3ccccc3)ncnc12"	0	""	""	1	1	246230	"299138"
"58906"	"58906"	"BC 77"	"ClCCn1cnc2c(SCc3ccccc3Cl)ncnc12"	0	""	""	2	2	246231	"299127"
"58924"	"58924"	"1,3,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,..."	"CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC"	0	""	""	2	2	246248	"3960187"
"59220"	"59220"	"[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxo..."	"[Na+].OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=C(F)C(=O)NC3=O)C(O)C(O)C1O"	0	""	""	3	3	54609809	""
"59267"	"59267"	"SANTALIN"	"COc1c(O)cc2C(=O)C3=C(CCCC3)C(=O)c2c1O"	0	""	""	1	1	246331	"7400104"
"59270"	"59270"	"Sanguinarine nitrate"	"CN1C=C2C3=C(OCO3)C=CC2=C4C=CC5C=C6OCOC6=CC5=C14.O[N+](=O)O"	0	NA	NA	2	2	NA	"4752867"
"59275"	"59275"	"3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide"	"COc1ccc(CC[N+]2(C)COc3cc4OC(=O)C=C(C)c4cc3C2)cc1OC"	0	""	""	1	1	5351838	"7460539"
"59276"	"59276"	""	"COc1ccc2OCN(Cc2c1)[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C"	0	NA	NA	2	1	NA	""
"59413"	"59413"	"4-(3H-Imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride"	"OC(=O)c1ccc(cc1)N2CC3=Nc4ccccc4[N+]3=C2"	0	""	""	1	1	5351839	""
"59450"	"59450"	""	"COc1ccccc1\C=C\[N+](=O)[O-]"	0	NA	NA	1	1	NA	"3316243"
"59620"	"59620"	"(4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a..."	"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5CC(=CC(=O)[C@@H]5[C@@]4(C)C(=O)C[C@H]23)C)C1"	0	""	""	1	1	246496	""
"59684"	"59684"	"N-Butyltriphenylphosphonium bromide"	"CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	159628	"1779517"
"59687"	"59687"	"Acetalax"	"CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4"	0	"NonCan:Cath"	"FDA approved"	2	2	NA	"115333"
"59729"	"59729"	"sparsomysin"	"CSCS(=O)C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	7	2	NA	"1404644"
"59814"	"59814"	"Critex"	"Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4"	0	""	""	4	4	31315	"125133"
"59937"	"59937"	"(2-Methoxyphenyl)(naphthalen-2-yl)methanone"	"COc1ccccc1C(=O)c2ccc3ccccc3c2"	0	""	""	1	1	246624	""
"59984"	"59984"	"EX-A776"	"CN1CCN(CC1)C(=O)\C=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	5356520	""
"59994"	"59994"	"4-(alpha-Chloroacetyl)antipyrine"	"CN1N(C(=O)C(=C1C)C(=O)CCl)c2ccccc2"	0	""	""	1	1	246657	"6630735"
"59996"	"59996"	"Nitrin (VAN)"	"Nc1ccccc1\C=N\Nc2ccccc2"	0	""	""	1	1	5375979	"553742"
"60043"	"60043"	"Benzoic acid, 4-[(1H-naphth-[2,3-d]imidazol-2-ylmethyl)-..."	"OC(=O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	3	3	246676	"6630291"
"60044"	"60044"	"4-[(5,6-Dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride"	"OC(=O)c1ccc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1"	0	""	""	1	1	24187152	"17033599"
"60064"	"60064"	"ZZDNKHNYMZVZGJ-UHFFFAOYSA-N"	"CCOC(=O)C(=Cc1ccccc1Br)C(=O)OCC"	0	""	""	1	1	246693	"93098670"
"60288"	"60288"	"p-Toluidine, N-allyl-"	"Cc1ccc(NCC=C)cc1"	0	""	""	1	1	246779	"15258465"
"60387"	"60387"	"tylocrebrin"	"COc1ccc2c3CN4CCC[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1OC"	0	""	""	3	1	246845	"6879023"
"60785"	"60785"	"2,3-(3',2'-indolo)-5.alpha.-androstan-17.beta.-ol"	"CC12CCC3C(CC[C@H]4Cc5[nH]c6ccccc6c5CC34C)C1CCC2O"	0	NA	NA	2	2	NA	"22847865"
"60898"	"60898"	"1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone"	"ClCC(=O)N1c2ccccc2Oc3ccc4ccccc4c13"	0	""	""	2	2	247104	"6621654"
"61297"	"61297"	"5-Aminoindol-3-ylpropionsaeure"	"Nc1ccc2[nH]cc(CCC(=O)O)c2c1"	0	""	""	1	1	247165	"5318127"
"61586"	"61586"	"Phleomycin (8CI 9CI)"	"[R]C(=O)c1csc(n1)C2CSC(=N2)CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NCC(N)C(=O)N)C(OC4OC(CO)C(O)C(O)C4OCCC5OC(CO)C(O)C(OC(=O)N)C5O)c6c[nH]cn6)C(=O)C"	0	NA	NA	4	2	NA	"11006330"
"61711"	"61711"	"2-oh-e2"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O"	0	""	""	2	2	247304	"362050"
"61747"	"61747"	"N-Prop-2-enyl-7H-purine-6-sulfonamide"	"C=CCNS(=O)(=O)c1ncnc2nc[nH]c12"	0	""	""	1	1	5351841	"90223748"
"61772"	"61772"	"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol"	"CC(C)c1cc(C(C)C)c(Cl)c(Cl)c1O.CC(C)c2cc(Cl)c(O)c(C(C)C)c2Cl"	0	""	""	1	1	247339	""
"61805"	"61805"	"kantaridin"	"C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O"	0	""	""	3	2	5944	"56257"
"61837"	"61837"	"retusin (van)"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	"1245154"
"61900"	"61900"	""	"Fc1ccc2ccc3c(C(=O)OC3(c4ccccc4)c5ccccc5)c2c1"	0	NA	NA	1	1	NA	"2907177"
"62343"	"62343"	"3-Bromopyruvate (acid)"	"OC(=O)C(=O)CBr"	0	"Mito|HK2"	"Clinical trial"	2	1	NA	"1113593"
"62372"	"62372"	"ACM24209903"	"Oc1ccc(OCCOc2ccc(O)cc2)cc1"	0	""	""	1	1	247525	"24209903"
"62485"	"62485"	""	"CCCCCN(CCCCC)CC(O)c1cc2CCCCc2c3ccccc13"	0	NA	NA	1	1	NA	"5416773"
"62586"	"62586"	"((Imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid"	"CN1C(=O)N(C)c2nc(C(=N)SCC(=O)O)n(C)c2C1=O"	0	""	""	1	1	247616	""
"62709"	"62709"	"ipas"	"COC1=C(O)c2ccc(nc2C3=NC(C)(C)N=C13)c4nc(C(=O)O)c(C)c(c4N)c5ccc(OC)c(OC)c5O"	0	""	""	1	1	247673	"15964315"
"62752"	"62752"	"Pyrimidine, 2,4-diamino-6-(p-iodoanilino)-5-nitroso-"	"Nc1nc(N)c(N=O)c(Nc2ccc(I)cc2)n1"	0	""	""	1	1	247696	"49753482"
"62791"	"62791"	"Ergosterol"	"CC(C)C(C)\C=C/C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C"	0	""	"FDA approved"	2	1	NA	""
"62857"	"62857"	"apt (radioprotective)"	"NCCCSC(=N)N"	0	NA	NA	2	2	NA	"7072404"
"62914"	"62914"	"Antioxidant 80"	"Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(Cc3cc(C)cc(c3O)C(C)(C)C)c1"	0	NA	NA	2	1	NA	"90686"
"63357"	"63357"	"m-Cresol, 4,6-dichloro-5-ethyl-"	"CCc1c(Cl)c(C)cc(O)c1Cl"	0	""	""	1	1	247901	"1127602"
"63549"	"63549"	"Prednisolone, 9-fluoro-6.alpha.-methyl-, acetate"	"C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14"	0	NA	NA	1	1	NA	"432337"
"63629"	"63629"	"1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-1-(p-chlorobenzyl)-"	"Nc1ncnc2c1cnn2Cc3ccc(Cl)cc3"	0	""	""	2	1	247946	""
"63701"	"63701"	"vengicide"	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N"	0	NA	NA	12	3	NA	"606586"
"63786"	"63786"	"ARONIS017515"	"NC(=S)N\N=C\c1c[nH]c2ccccc12"	0	""	""	1	1	135400404	"6868286"
"63839"	"63839"	"fixierer p"	"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C"	0	NA	NA	1	1	NA	"959524"
"63878"	"63878"	"Cytarabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	"Ds"	"FDA approved"	130	123	NA	"69749"
"63984"	"63984"	"Cordycepin"	"Nc1ncnc2c1ncn2C3OC(CO)CC3O"	0	"Ds"	"Clinical trial"	1	1	NA	"73030"
"64087"	"64087"	"sordinol"	"OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(Cl)cc24)CC1"	0	NA	NA	2	1	NA	"633590"
"64111"	"64111"	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	NA	"1519455"
"64342"	"64342"	"4747AC"	"COC(=O)c1nc(Cl)nc(Cl)c1Cl"	0	""	""	1	1	248061	"89284855"
"64692"	"64692"	""	"CCOC(=O)C(Cc1c[nH]c2ccc(cc12)[N+](=O)[O-])(NC(=O)C)C(=O)OCC"	0	NA	NA	2	2	NA	"6958334"
"64703"	"64703"	"Diethyl(acetylamino)({5-[bis(2-chloroethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2ccc(cc12)N(CCCl)CCCl)(NC(=O)C)C(=O)OCC"	0	""	""	3	3	248139	""
"64798"	"64798"	"AC-907/25004561"	"COc1n[n+]([O-])c(C)cc1[N+](=O)[O-]"	0	""	""	1	1	6405305	"4683878"
"64821"	"64821"	""	"CN(C)c1ccc(cc1)C(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C"	0	NA	NA	1	1	NA	""
"64875"	"64875"	"3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethy..."	"CN(C)CCCN1CCC2(CCC(CC2)C(C)(C)C)CC1"	0	NA	NA	2	2	NA	""
"64945"	"64945"	"A822229"	"COc1ccc(\C=C\c2ccnc3ccccc23)cc1OC"	0	""	""	1	1	6184681	"2878639"
"65022"	"65022"	"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea"	"Oc1ccc(Cl)cc1\C=N\NC(=S)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	135460243	"6956361"
"65104"	"65104"	"septacidin"	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2[nH]cnc3ncnc23)OC1C(O)CO"	0	NA	NA	11	7	NA	"62362598"
"65238"	"65238"	"abieta-8,11,13-trien-18-amine benzoate"	"CC(C)c1ccc2c(CCC3C(C)(CN)CCCC23C)c1"	0	""	""	3	1	248381	""
"65239"	"65239"	"Accel R"	"C1CN(CCO1)SSN2CCOCC2"	0	""	""	1	1	7648	"103344"
"65346"	"65346"	"SANGIVAMYCIN"	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	12	2	NA	"18417895"
"65381"	"65381"	"aquamycin"	"NC(=O)C#CC(=O)N"	0	NA	NA	4	2	NA	"543215"
"65537"	"65537"	"Benzenesulfonamide, m-(4-amino-3-methoxy-1-naphthylazo)-"	"COc1cc(N=Nc2cccc(c2)S(=O)(=O)N)c3ccccc3c1N"	0	""	""	2	2	248466	""
"65601"	"65601"	"p-(2-Nitropropenyl)anisole"	"COc1ccc(\C=C(/C)\[N+](=O)[O-])cc1"	0	""	""	2	2	5372879	"17354631"
"65628"	"65628"	"STK386853"	"C\C(=C/c1c[nH]c2ccccc12)\[N+](=O)[O-]"	0	""	""	1	1	5291187	"22693512"
"65814"	"65814"	"N-(4-Diethylaminobenzylideneamino)guanidine"	"CCN(CC)c1ccc(\C=N\NC(=N)N)cc1"	0	""	""	1	1	9561622	""
"65860"	"65860"	"2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4-[[4-[4- ..."	"Oc1c(N=Nc2ccc(Sc3ccc(NC(=O)c4ccc(cc4)N=Nc5c(O)c(cc6cc(ccc56)S(=O)(=O)O)S(=O)(=O)O)cc3)cc2)c7ccc(cc7cc1S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	415011	"7401469"
"65921"	"65921"	"Fluorene, 9-bromo-2,4,7-trichloro-"	"Clc1ccc2c(c1)C(Br)c3cc(Cl)cc(Cl)c23"	0	""	""	1	1	248608	"7012193"
"66020"	"66020"	"2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrro..."	"Clc1ccc2NC(=O)CN=C(c3ccc[nH]3)c2c1"	0	""	""	1	1	64983	"30195303"
"66211"	"66211"	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline"	"Cc1ccc(cc1)N(CSc2ccc(Cl)cc2)CSc3ccc(Cl)cc3"	0	""	""	1	1	248767	"6969137"
"66214"	"66214"	"Laurodin"	"CCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12"	0	""	""	2	1	67354	"146372"
"66230"	"66230"	"STK258698"	"[O-][N+](=O)c1cccc(c1)C(Br)C(Br)C(=O)c2ccccc2"	0	""	""	1	1	248781	"6968996"
"66259"	"66259"	""	"OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	5	1	NA	"2968287"
"66301"	"66301"	"1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine"	"NC(=N)N\N=C(\c1ccccc1)/c2ccc(Cl)cc2"	0	""	""	1	1	5356780	"19992951"
"66323"	"66323"	"4-Hexadecyl-4-methylmorpholin-4-ium;methyl sulfate"	"CCCCCCCCCCCCCCCC[N+]1(C)CCOCC1"	0	""	""	1	1	24187598	"6964154"
"66366"	"66366"	"AMOT0288"	"Brc1ccc(Br)nn1"	0	""	""	2	2	248852	"17973863"
"66380"	"66380"	"[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium;chloride"	"C[N+](C)(C)c1nc(N)nc2c1ncn2C3OC(CO)C(O)C3O"	0	""	""	1	1	5351860	"68743168"
"66457"	"66457"	"AE-406/41056674"	"CC1=C(SCc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	248894	"2593591"
"66543"	"66543"	"ALBB-023208"	"COC(=O)c1cc(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	248909	"2213798"
"66902"	"66902"	"AK-25511"	"Clc1ncnc(Cl)c1Cl"	0	""	""	1	1	249007	"1780274"
"66914"	"66914"	"Pyrimidine, 2,4,6-trichloro-5-propyl-"	"CCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	249012	"58811"
"66917"	"66917"	"4,5,6-Trichloro-2-phenylpyrimidine"	"Clc1nc(nc(Cl)c1Cl)c2ccccc2"	0	""	""	2	1	249015	"1207847"
"66933"	"66933"	"Carbamic acid, diethyldithio-, anhydrosulfide with metha..."	"CCN(CC)C(=S)SS(=O)(=O)C"	0	""	""	1	1	249018	""
"67015"	"67015"	"mercaptoacetate"	"CCCC[Sn]1(CCCC)OC(=O)CS1"	0	NA	NA	2	2	NA	"78206"
"67025"	"67025"	"Dypnone guanyl hydrazone hydrochloride"	"C\C(=C\C(=N\NC(=N)N)\c1ccccc1)\c2ccccc2"	0	NA	NA	1	1	NA	"25747368"
"67041"	"67041"	"1-(4-Nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea"	"CCCCC\C=C/C\C=C\CCCCCCCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	5356823	"6964869"
"67090"	"67090"	"5,7-Dibromo-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol"	"COc1cc(\C=C\c2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O"	0	""	""	2	2	135460261	""
"67091"	"67091"	"AC1OB7T2"	"Oc1ccc2ccccc2c1\C=C\c3ccc4c(Br)cc(Br)c(O)c4n3"	0	""	""	2	2	135422273	""
"67118"	"67118"	"43F8Q05RYE"	"NC(=N)NN=C(c1ccccc1)c2ccccc2"	0	""	""	1	1	249134	"4353440"
"67209"	"67209"	"2-Methylthio-1,4-naphthoquinone"	"CSC1=CC(=O)c2ccccc2C1=O"	0	""	""	1	1	96324	"26037605"
"67239"	"67239"	"Azaribine"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2N=CC(=O)NC2=O"	0	NA	NA	1	1	NA	"2169644"
"67477"	"67477"	"2-[(Z)-[(2-Fluorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride"	"NC(=N)N\N=C(\c1ccccc1)/c2ccccc2F"	0	""	""	2	2	54608243	"1511371"
"67478"	"67478"	"2-[(Z)-[(4-Methylphenyl)-phenylmethylidene]amino]guanidine;hydrochloride"	"Cc1ccc(cc1)\C(=N/NC(=N)N)\c2ccccc2"	0	""	""	2	2	54603621	"21083909"
"67480"	"67480"	"2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride"	"Cc1ccc(cc1)C(=NNC(=N)N)c2ccc(C)cc2"	0	""	""	2	1	54599910	"21083921"
"67574"	"67574"	"Vincristine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	63	25	249332	"2068782"
"67580"	"67580"	"5'-Methoxynobiletin"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	72815	"6965362"
"67586"	"67586"	"2-Naphthacenecarboxamide, N-[(6,7-dihydro-7-oxo-v-triazo..."	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC4=Nc5[nH]nnc5C(=O)N4)C(=O)c6c(O)cccc6[C@@]3(C)O"	0	""	""	3	3	135422275	""
"67588"	"67588"	"2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,..."	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCc4nc5c(S)ncnc5[nH]4)C(=O)c6c(O)cccc6[C@@]3(C)O"	0	""	""	1	1	54706004	""
"67601"	"67601"	"AM806322"	"Cn1cc(CO)c2ccccc12"	0	""	""	1	1	23406	"6965442"
"67603"	"67603"	"AM806323"	"Cc1[nH]c2ccccc2c1CO"	0	""	""	1	1	249349	"6967711"
"67714"	"67714"	""	"c1ccc(cc1)[P+](C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	"7253078"
"67774"	"67774"	"Diethyl(acetylamino)[(6-nitro-1h-indol-3-yl)methyl]propanedioate"	"CCOC(=O)C(Cc1c[nH]c2cc(ccc12)[N+](=O)[O-])(NC(=O)C)C(=O)OCC"	0	""	""	3	2	249442	"7355900"
"67798"	"67798"	"4,5,6-Trichloro-2-ethylpyrimidine"	"CCc1nc(Cl)c(Cl)c(Cl)n1"	0	""	""	1	1	249454	"1197304"
"67799"	"67799"	"Pyrimidine, 2,4,6-trichloro-5-ethyl-"	"CCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	249455	"1780387"
"67817"	"67817"	"everfree"	"CN1C(=S)SC(N=Nc2ccc(cc2)[N+](=O)[O-])C1=O"	0	NA	NA	1	1	NA	"962027"
"67925"	"67925"	"2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid"	"NC(=N)NN=C1C(=O)c2ccccc2C1=O"	0	""	""	1	1	54609874	""
"68075"	"68075"	"thalicarpin"	"COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc4cc5C[C@@H]6N(C)CCc7cc(OC)c(OC)c(c67)c5cc4OC)cc1OC"	0	""	""	13	3	21470	"5373422"
"68088"	"68088"	"Guanidine, [(p-fluoro-.alpha.-phenylbenzylidene)amino]-,..."	"NC(=N)N\N=C(\c1ccccc1)/c2ccc(F)cc2"	0	""	""	2	1	54599426	"1511382"
"68091"	"68091"	"vancide pa"	"CCCS(=O)(=O)\C=C/S(=O)(=O)CCC"	0	NA	NA	3	3	NA	"1113140"
"68092"	"68092"	"vancide pb"	"[O-][N+](=O)c1cc(c(Cl)c(Cl)c1Cl)[N+](=O)[O-]"	0	""	""	1	1	22875	"6379460"
"68093"	"68093"	"Zinc pyrithione"	"O1=n2ccccc2S[Zn]13O=n4ccccc4S3"	0	""	""	2	2	415267	""
"68154"	"68154"	"1-[(Z)-Benzylideneamino]-2-[(E)-benzylideneamino]guanidine"	"N=C(N\N=C\c1ccccc1)N\N=C\c2ccccc2"	0	""	""	1	1	54602470	"3560869"
"68155"	"68155"	"1-[(E)-(2-Ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine"	"CCOc1ccccc1\C=N\NC(=N)N\N=C\c2ccccc2OCC"	0	""	""	1	1	54606037	""
"68294"	"68294"	"6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)"	"N1C=NC2=S[Hg]3(S=C4N=CNc5[nH]c[n+]3c45)[n+]6c[nH]c1c26"	0	NA	NA	3	3	NA	"15635253"
"68558"	"68558"	"Q27251898"	"Oc1ccccc1\C=N\Nc2ccccc2"	0	""	""	1	1	135460273	"614653"
"68989"	"68989"	"Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-N-(N-form..."	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(Cc2ccccc2)NC=O"	0	""	""	3	2	250002	"13331674"
"69049"	"69049"	"5-Chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one"	"ClC1=C(N\N=C(\C(=O)c2ccccc2)/c3ccccc3)C=NNC1=O"	0	""	""	1	1	9561703	""
"69187"	"69187"	"methoxyelliptione"	"COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"	0	""	""	6	4	72512	"10371865"
"69294"	"69294"	"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5C6C(CC(=C45)OC(=O)C)C(=O)N(Cc7ccccc7)C6=O)C3CC=C2C1"	0	""	""	1	1	250204	""
"69413"	"69413"	"1-[(Z)-(2-Methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine"	"COc1ccccc1\C=N\NC(=N)N\N=C\c2ccccc2OC"	0	""	""	2	2	54601314	""
"69509"	"69509"	"Ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate"	"CCCCCCCCCCCC(c1ccccc1)[N+](C)(C)C"	0	""	""	1	1	21144271	""
"69573"	"69573"	"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane"	"C(N1CCC2(CC1)SSC3(CCN(Cc4ccccc4)CC3)SS2)c5ccccc5"	0	""	""	1	1	250319	""
"69575"	"69575"	"5-((5-((5-Oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone"	"O=C1O\C(=N/c2cccc3c(cccc23)\N=C\4/OC(=O)C=C4)\C=C1"	0	""	""	1	1	250321	"6959951"
"69577"	"69577"	""	"CC1=CC(=O)N(C1=O)c2cccc3c(cccc23)N4C(=O)C=C(C)C4=O"	0	NA	NA	2	2	NA	""
"69600"	"69600"	"Quinoline, 4-(p-methoxystyryl)- (8CI)"	"COc1ccc(\C=C\c2ccnc3ccccc23)cc1"	0	""	""	1	1	5377590	"2859554"
"69603"	"69603"	"Quinoline, 4-(2,5-dimethoxystyryl)-"	"COc1ccc(OC)c(\C=C\c2ccnc3ccccc23)c1"	0	""	""	3	2	5929717	"2859521"
"69604"	"69604"	""	"COc1cc(\C=C\c2ccnc3ccccc23)cc(OC)c1OC"	0	NA	NA	1	1	NA	"2859985"
"69608"	"69608"	"Purine-6-thiol, ethyl carbonate"	"CCOC(=O)Sc1ncnc2nc[nH]c12"	0	""	""	1	1	580739	"92352222"
"69811"	"69811"	"mibt"	"CN1C(=O)\C(=N/NC(=S)N)\c2ccccc12"	0	NA	NA	1	1	NA	"1910685"
"69830"	"69830"	"Alanine, N-(N-acetyl-L-leucyl)-3-[p-[bis(2-chloroethyl)a..."	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C"	0	NA	NA	2	2	NA	"4213381"
"69852"	"69852"	"spermine hydrochloride"	"NCCCNCCCCNCCCN"	0	NA	NA	2	2	NA	"306672"
"69856"	"69856"	"zinostatin"	""	0	NA	NA	2	1	NA	"9014022"
"69911"	"69911"	"2-[(E)-Furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid"	"CC(C)c1cc(c(C)cc1O)S(=O)(=O)O.NC(=N)N\N=C\c2occc2"	0	""	""	2	1	9561735	""
"69917"	"69917"	"2-[(Z)-[(E)-3-(4-Methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine"	"Cc1ccc(\C=C\C(=N\NC(=N)N)\c2ccccc2)cc1"	0	""	""	1	1	9561739	""
"69945"	"69945"	"phosphoramide mustard cyclohexylamine salt"	"NP(=O)(O)N(CCCl)CCCl"	0	""	""	3	2	96355	"1566150"
"70092"	"70092"	"Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionat..."	"Cl[Pd]12(\S=C\3/N=CNc4[nH]cnc34)(S=C5N=CNc6[nH]c[n+]1c56)S=C7N=CNc8[nH]c[n+]2c78"	0	""	""	4	3	498063	""
"70194"	"70194"	"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid"	"CC(C)C12CCC3(CCC4C(C)(CCCC4(C)C(=O)O)C3C1)C(CN)C2"	0	""	""	1	1	250607	"7143911"
"70555"	"70555"	"(2z)-6-Amino-1,3-dibenzyl-2-imino-2,3-dihydropyrimidin-4(1h)-one"	"NC1=CC(=O)N(Cc2ccccc2)C(=N)N1Cc3ccccc3"	0	""	""	2	1	250781	""
"70568"	"70568"	"2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride"	"C(C(Cc1ccccc1)C2=NCCCN2)c3ccccc3"	0	""	""	1	1	54599069	""
"70660"	"70660"	""	"CCN(CC)c1ccc(cc1)C(=O)c2ccc(cc2)N(CC)CC"	0	NA	NA	2	2	NA	""
"70811"	"70811"	"XYVPTQBXFHRJJR-VHEBQXMUSA-N"	"COc1ccc(cc1)N=Nc2c(O)ccc3ccccc23"	0	""	""	1	1	139450	"13411911"
"70845"	"70845"	"nogalamycin"	"COC1C(C)OC(O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@H]7O[C@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC"	0	NA	NA	3	3	NA	"1404155"
"70874"	"70874"	"Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)- (8CI)"	"CCCCN(C)N=Nc1[nH]cnc1C(=O)N"	0	""	""	2	1	135460287	"18910593"
"70929"	"70929"	"hedamycin"	"CC1OC(CC(C1O)N(C)C)c2cc(C3CC(C)(C(O)C(C)O3)N(C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C)cc5C(=O)c24)C7(C)OC7C8OC8C"	0	""	""	11	2	98033	"11048978"
"70931"	"70931"	"Celastrol"	"CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O"	0	""	""	2	2	122724	""
"70933"	"70933"	"Cycliramine Maleate"	"CN1CCC(=C(c2ccc(Cl)cc2)c3ccccn3)CC1"	0	""	""	1	1	5357113	"5781373"
"71090"	"71090"	"Propiolic acid, (p-nitrophenyl)-, methyl ester"	"COC(=O)C#Cc1ccc(cc1)[N+](=O)[O-]"	0	""	""	3	2	251019	"7515153"
"71097"	"71097"	"(Z)-1-(5-Chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one"	"Oc1ccc(Cl)cc1C(=O)\C=C\c2ccc3ccccc3n2"	0	""	""	1	1	40491342	"7209758"
"71261"	"71261"	"Beta-Thioguanine Deoxyriboside"	"NC1=NC(=S)c2ncn(C3CC(O)C(CO)O3)c2N1"	0	"Ds"	""	11	8	NA	"789617"
"71300"	"71300"	"7ZC34TF8SX"	"COc1ccc(OC)c(c1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	251112	"70460309"
"71302"	"71302"	"YB1PP1M8P8"	"COc1cc(OC)cc(c1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	251114	"70460296"
"71381"	"71381"	"(1,3,2-dithiarsolan-2-ylthio)acetic acid"	"OC(=O)CS[As]1SCCS1"	0	""	""	2	1	96378	"7749055"
"71423"	"71423"	"Megestrol acetate"	"CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C"	0	"Ho|PGR"	"FDA approved"	1	1	11683	"595335"
"71426"	"71426"	"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol"	"OCC1OC(O)C(\N=C\c2ccc3OCOc3c2)C(O)C1O"	0	""	""	2	1	251176	""
"71536"	"71536"	"eulan nk"	"Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1Cl"	0	""	""	1	1	77265	"3687705"
"71669"	"71669"	"NCIMech_000140"	"Nc1nc(N)c(c(Cc2cccc(c2)C(F)(F)F)n1)c3cccc(c3)C(F)(F)F"	0	""	""	2	2	415629	"1548910"
"71677"	"71677"	"7H-Benzo[c]phenothiazine, 7-chloroacetyl-"	"ClCC(=O)N1c2ccccc2Sc3c1ccc4ccccc34"	0	""	""	1	1	251355	"3640004"
"71717"	"71717"	"2-[(E)-1-(4-Fluorophenyl)pentylideneamino]guanidine"	"CCCC\C(=N/NC(=N)N)\c1ccc(F)cc1"	0	""	""	1	1	9561770	""
"71795"	"71795"	"ELLIPTICINE"	"Cc1c2ccncc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	7	3	3213	"519233"
"71850"	"71850"	"[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate"	"FC1=CN(C2CC(OC(=O)c3ccccc3)C(CSC(=O)c4ccccc4)O2)C(=O)NC1=O"	0	""	""	1	1	251458	"2383360"
"71851"	"71851"	"A-TGdR"	"NC1=NC(=S)c2ncn(C3CC(O)C(CO)O3)c2N1"	0	"Ds"	""	11	8	NA	"2133815"
"71935"	"71935"	"Duramycin"	"CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C3NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)CNC(=O)C(Cc6ccccc6)NC(=O)C7CNCCCCC(NC(=O)C8NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(NC(=O)C(CSCC(NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(N)CSC8C)C(=O)NC(CSC3C)C(=O)N7)NC1=O)C(O)C(=O)O)C(=O)O"	0	NA	NA	1	1	NA	"1391362"
"71948"	"71948"	"Thioflavine S"	"CN(C)c1ccc(cc1)c2sc3cc(ccc3[n+]2C)c4sc5cc(ccc5[n+]4C)c6sc7c(c(C)ccc7[n+]6C)S(=O)(=O)O.CN(C)c8ccc(cc8)c9sc%10cc(ccc%10[n+]9C)c%11sc%12c(c(C)ccc%12[n+]%11C)S(=O)(=O)O"	0	""	""	1	1	415676	""
"72055"	"72055"	"Sulfonium, dodecyldimethyl- iodide"	"CCCCCCCCCCCC[S+](C)C"	0	""	""	3	2	19021065	"18412812"
"72115"	"72115"	"tetrahydroalstonine"	"COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12"	0	NA	NA	1	1	NA	"6474904"
"72151"	"72151"	"Coumarin, 6-[[p-[bis(hydroxyethyl)amino]benzylidene]amin..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc3OC(=O)C=Cc3c2)cc1"	0	""	""	5	4	251586	"14415464"
"72234"	"72234"	"Plicatic acid"	"COc1cc2C(O)C(CO)C(O)(C(c3cc(O)c(O)c(OC)c3)c2cc1O)C(=O)O"	0	NA	NA	1	1	NA	""
"72254"	"72254"	"2-hydroxy-2-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,..."	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC5(O)C(=O)c6ccccc6C5=O"	0	""	""	1	1	251630	""
"72274"	"72274"	"sp i"	"CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3OCOc3cc2[C@H]1c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	NA	"1508458"
"72533"	"72533"	""	"NC(=N)N\N=C\c1ccc(O)c(c1)C(=O)O"	0	NA	NA	1	1	NA	""
"72564"	"72564"	"isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl- (8ci)"	"Nc1c(cccc1C(=O)Nc2ccc(cc2)C3=NCCN3)C(=O)Nc4ccc(cc4)C5=NCCN5"	0	""	""	2	1	251786	"21696264"
"72862"	"72862"	"COLUBRINE, BETA"	"COc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2c1"	0	NA	NA	1	1	NA	"509364"
"72881"	"72881"	"N-[(Z)-(2-Hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide"	"Oc1ccc2ccccc2c1\C=N\NC(=O)C3CC3"	0	""	""	1	1	135460295	""
"72914"	"72914"	"Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate"	"COC(=O)C1C2CCC(C(C(=O)OC)C1=O)N2C"	0	""	""	2	1	5351875	""
"72917"	"72917"	"Brucine, dihydro-"	"COc1cc2N3C4C5C(CC3=O)OCCC6CN7CCC4(C7CC56)c2cc1OC"	0	NA	NA	1	1	NA	"34403902"
"72939"	"72939"	""	"CN1CCCC1c2cccnc2.OC(=O)c3ccccc3O.O=C4[O-][Mn+2]56([OH+]c7ccccc7C(=O)[O-]5)([OH+]c8ccccc8C(=O)[O-]6)[OH+]c9ccccc49"	0	NA	NA	1	1	NA	""
"72942"	"72942"	"noformicin"	"NC(=N)CCNC(=O)C1CCC(=N1)N"	0	NA	NA	3	2	NA	""
"72961"	"72961"	"8-azadenosine"	"Nc1ncnc2c1nnn2C3OC(CO)C(O)C3O"	0	NA	NA	5	5	NA	"10299442"
"73013"	"73013"	"4-aminopiazthiole"	"Nc1cccc2nsnc12"	0	""	""	2	2	69845	"767646"
"73019"	"73019"	"4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde"	"ClCCN(CCCl)c1ccc(C=O)c(Cl)c1"	0	""	""	2	2	251946	"65611349"
"73048"	"73048"	""	"N=C1Cc2ccccc2c3ccccc3C1C#N"	0	NA	NA	1	1	NA	"7443472"
"73101"	"73101"	"1,4,5,6,7,7-Hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid"	"OC(=O)C1C(C(=O)Nc2ccc3c(Cc4ccccc34)c2)C5(Cl)C(=C(Cl)C1(Cl)C5(Cl)Cl)Cl"	0	""	""	1	1	252008	""
"73109"	"73109"	""	"C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	2	1	NA	"3664902"
"73233"	"73233"	"ppm-18"	"O=C(NC1=CC(=O)c2ccccc2C1=O)c3ccccc3"	0	""	""	2	2	4882	"65240860"
"73241"	"73241"	"DNDI1417146"	"Oc1ccccc1\C=N/NC(=S)Nc2ccc(F)cc2"	0	""	""	2	2	135435713	"16113374"
"73287"	"73287"	"KSC352Q4B"	"Clc1ncccc1C#N"	0	""	""	2	1	81079	"6602546"
"73300"	"73300"	"Thujaplicin mixture"	"CC(C)C1=CC=C(O)C(=O)C=C1.CC(C)C2=CC=CC(=O)C(=C2)O.CC(C)C3=CC=C(O)C(=O)C(=C3)O.CC(C)C4=C(O)C(=O)C=CC=C4"	0	""	""	2	2	252101	""
"73306"	"73306"	"3-[(p-Methoxyphenyl)-thiosemicarbazono]-2-indolinone"	"COc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	NA	NA	3	2	NA	""
"73346"	"73346"	"Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-"	"Cc1cc(C)nc(NC(=N)NCCc2ccccc2)n1"	0	""	""	1	1	252116	"55474823"
"73396"	"73396"	"VVMOFVNFPBAHLP-UHFFFAOYSA-N"	"Clc1ccc(NC2(CCN(Cc3ccccc3)CC2)C#N)cc1"	0	""	""	2	2	70418	"972203"
"73411"	"73411"	"corioflavine r"	"Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N"	0	""	""	1	1	38475	"6441732"
"73413"	"73413"	"chrome black s"	"[Na+].Oc1ccc2ccccc2c1N=Nc3c(O)cc(c4cc(ccc34)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	2	1	NA	"3618584"
"73495"	"73495"	"chelocardin dodecyl sulfate"	"CC(=O)C1=C(O)C(N)C2Cc3c(C)c4ccc(C)c(O)c4c(O)c3C(=O)C2(O)C1=O"	0	""	""	2	1	415844	""
"73705"	"73705"	"CC-07311"	"NC(=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	96425	"13550884"
"73735"	"73735"	"redoxal"	"COc1cc(ccc1Nc2ccccc2C(=O)O)c3ccc(Nc4ccccc4C(=O)O)c(OC)c3"	0	""	""	4	3	72571	"52962955"
"73754"	"73754"	"Fluorodopan"	"CC1=C(N(CCF)CCCl)C(=O)NC(=O)N1"	0	"A7"	""	11	5	13268	"834913"
"74199"	"74199"	"Pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5..."	"CNc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1"	0	""	""	1	1	252368	"91192700"
"74437"	"74437"	"epoxypiperazine"	"C(C1CO1)N2CCN(CC3CO3)CC2"	0	""	""	2	2	98074	"2917988"
"74663"	"74663"	"LAVBKIWRWNKSGD-UHFFFAOYSA-N"	"O=S(=O)(Cc1ccccc1)SCc2ccccc2"	0	""	""	2	2	252586	"16601404"
"74702"	"74702"	"indanthren corinth rk"	"O=C(Nc1ccc(Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c5C(=O)c6ccccc6C(=O)c15)c7ccccc7"	0	""	""	2	2	5351878	"4003365"
"74859"	"74859"	"2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid"	"Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc2ccc(C(=O)O)c(O)c2"	0	""	""	2	2	252682	""
"74947"	"74947"	"noxin"	"Oc1ccc(c2cccnc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"4008484"
"75140"	"75140"	"Benzenesulfonamide, 4-[(6,7-dihydro-6-thioxo-1H-purin-8-..."	"NS(=O)(=O)c1ccc(cc1)N=Nc2nc3NC=NC(=S)c3[nH]2"	0	""	""	2	2	3246283	""
"75382"	"75382"	"3,4-dibromosulfolane"	"BrC1CS(=O)(=O)CC1Br"	0	NA	NA	1	1	NA	"15091302"
"75520"	"75520"	"tfdu"	"OCC1OC(CC1O)N2C=C(C(=O)NC2=O)C(F)(F)F"	0	"TYMS"	"FDA approved"	2	2	NA	"70008"
"75603"	"75603"	"b 80568"	""	0	NA	NA	1	1	NA	""
"75627"	"75627"	"meso-2,3-Diphenylsuccinic acid"	"OC(=O)[C@H]([C@H](C(=O)O)c1ccccc1)c2ccccc2"	0	""	""	1	1	253131	"1225134"
"75747"	"75747"	"5-(6-Mercapto-9H-purin-9-yl)pentanoic acid"	"OC(=O)CCCCn1cnc2C(=S)N=CNc12"	0	""	""	1	1	3246285	"3342889"
"75782"	"75782"	"Pheophorbide b"	"CCc1c(C=O)c2cc3nc(cc4[nH]c([C@@H](CCC(=O)O)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c(cc1[nH]2)nc56)c(C)c3C=C"	0	NA	NA	1	1	NA	""
"75890"	"75890"	"pyrazolanthrone"	"O=C1c2ccccc2c3n[nH]c4cccc1c34"	0	""	""	1	1	8515	"129566"
"75957"	"75957"	"8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,6-d..."	"[Na+].Oc1ccc2ccccc2c1N=Nc3cc(cc4cccc(c34)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	135534342	""
"76023"	"76023"	"toddalin"	"COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC"	0	""	""	1	1	5351594	"478035"
"76064"	"76064"	"Benzylpenillic acid"	"CC1(C)SC2C(N=C(Cc3ccccc3)N2C1C(=O)O)C(=O)O"	0	""	""	1	1	253302	"13093873"
"76150"	"76150"	""	"C1CCN(CC1)[C@H]2OCCC2OC3OC4COC(C4OC3N5CCCCC5)N6CCCCC6"	0	NA	NA	1	1	NA	""
"76175"	"76175"	"(E)-1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one"	"Oc1ccc(Cl)cc1C(=O)\C=C\c2ccncc2"	0	""	""	1	1	5357374	"2110103"
"76351"	"76351"	"Uridine, 2'-deoxy-5-fluoro-5'-thio-"	"OC1CC(OC1CS)N2C=C(F)C(=O)NC2=O"	0	""	""	5	3	253426	"2010211"
"76356"	"76356"	"9.beta.-D-Arabinofuranosyl-2-chloroadenine"	"Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	NA	"10147123"
"76387"	"76387"	"tylophorin"	"COc1cc2c3C[C@@H]4CCCN4Cc3c5cc(OC)c(OC)cc5c2cc1OC"	0	NA	NA	1	1	NA	"482202"
"76411"	"76411"	"olivomycin"	"COC(C1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C(C)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O"	0	NA	NA	7	2	NA	"102647165"
"76455"	"76455"	"peliomycin (usan)"	""	0	NA	NA	4	1	NA	"1404202"
"76518"	"76518"	"1-(4-Bromophenyl)-3-carbamoylurea"	"NC(=O)NC(=O)Nc1ccc(Br)cc1"	0	""	""	3	1	253519	""
"76519"	"76519"	"Inosine, 6-thio-, 2',3',5'-tris(4-methoxybenzoate)"	"COc1ccc(cc1)C(=O)OCC2OC(C(OC(=O)c3ccc(OC)cc3)C2OC(=O)c4ccc(OC)cc4)n5cnc6C(=S)N=CNc56"	0	""	""	1	1	4351018	""
"76523"	"76523"	"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl"	"Cc1c(cc(c(c2c(cc(c(C)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	253522	"14185445"
"76627"	"76627"	"ossamycin"	"CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC4CCC(C(C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C\[C@@H]5CC(C)(C)O[C@@]5(O)C[C@H](O2)[C@H]3C)O1"	0	""	""	2	2	5351598	""
"76751"	"76751"	"Nobiletin"	"COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	1	1	NA	"478013"
"76779"	"76779"	"Streptorubrin"	"CCCCC1CCCCCCc2cc1c(\C=C\3/N=C(C=C3OC)c4ccc[nH]4)[nH]2"	0	NA	NA	2	1	NA	"56208072"
"76808"	"76808"	"mimbane (usan)"	"Cn1c2[C@@H]3C[C@@H]4CCCC[C@H]4CN3CCc2c5ccccc15"	0	NA	NA	2	1	NA	"3277596"
"76885"	"76885"	""	"NC1=CC(=O)c2cccnc2C1=O"	0	NA	NA	1	1	NA	"64636915"
"76919"	"76919"	"2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-1,2,3,4,5,..."	"COC1=C(N)C(=O)C2=C(CCC(N2)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O)C1=O"	0	""	""	3	2	253712	""
"76937"	"76937"	"4-(Anilinomethyl)-N,N-bis(2-chloroethyl)aniline"	"ClCCN(CCCl)c1ccc(CNc2ccccc2)cc1"	0	""	""	1	1	253728	""
"76952"	"76952"	"9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3',5'-t..."	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)n2cnc3C(=S)N=CNc23"	0	""	""	1	1	4019652	"7764809"
"76955"	"76955"	"KC 1260"	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	2	2	3521514	"7764785"
"76991"	"76991"	"[(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate"	"COc1cc(cc(OC)c1OC)C#CC(=O)OC\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	5357424	""
"77007"	"77007"	"Diethyl(acetylamino)({7-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2c(cccc12)N(CCO)CCO)(NC(=O)C)C(=O)OCC"	0	""	""	2	1	253773	""
"77021"	"77021"	"6.alpha.,9-difluoroprednisolone"	"C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO"	0	""	""	4	3	101859	"806291"
"77038"	"77038"	"litomycin"	"CC1OC2CC(=O)OC2C3=C1C(=O)c4c(O)c5c(C6CC(O)C5(O)C(C)O6)c(O)c4C3=O"	0	NA	NA	2	2	NA	"19879062"
"77039"	"77039"	"8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride"	"CC1=CC(=O)Oc2c(CN(CCCl)CCCl)c(O)ccc12"	0	""	""	1	1	24188551	"14522191"
"77140"	"77140"	"(o-Methylbenzyl)triphenylphosphonium bromide"	"Cc1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	197738	"1530365"
"77141"	"77141"	"ACM2378861"	"Cc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1"	0	""	""	2	2	11797662	"2378861"
"77213"	"77213"	"Procarbazine"	"CNNCc1ccc(cc1)C(=O)NC(C)C"	0	"A7|AlkAg"	"FDA approved"	47	3	9703	"366701"
"77471"	"77471"	"mitocromin"	""	0	NA	NA	2	1	NA	"11043984"
"77495"	"77495"	"Inosine, 6-thio-, 2',3',5'-tripentanoate"	"CCCCC(=O)OCC1OC(C(OC(=O)CCCC)C1OC(=O)CCCC)n2cnc3C(=S)N=CNc23"	0	""	""	2	2	4208664	""
"77502"	"77502"	"Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-"	"Nc1nc(SN=Nc2ccc(cc2)S(=O)(=O)N)c3[nH]cnc3n1"	0	""	""	2	2	4642645	""
"77541"	"77541"	"Amuno"	"COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3"	0	""	"FDA approved"	1	1	20071791	"28751453"
"77556"	"77556"	"KC 1275"	"CCC(=O)OCC1OC(C(OC(=O)CC)C1OC(=O)CC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	1	1	5035970	"42558883"
"77643"	"77643"	"6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride"	"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(O)cc13"	0	""	""	1	1	24188580	""
"77809"	"77809"	"Benzo[b]quinolizinium, 6-methyl- bromide"	"Cc1c2ccccc2cc3cccc[n+]13"	0	""	""	1	1	19921723	""
"77810"	"77810"	"Naphtho[1,2-b]quinolizinium, 9-methyl-, bromide"	"Cc1cccc2cc3c(ccc4ccccc34)c[n+]12"	0	""	""	1	1	21144314	""
"77830"	"77830"	"camolar"	"CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2.OC(=O)c3cc4ccccc4c(Cc5c(O)c(cc6ccccc56)C(=O)O)c3O"	0	""	""	2	2	11870	"609789"
"77950"	"77950"	"Cirolerosus"	""	0	NA	NA	3	1	NA	"11056125"
"78015"	"78015"	"Maybridge1_005563"	"COc1ccc(cc1)C(=O)c2ccc(OC)cc2OC"	0	""	""	1	1	254174	"4038157"
"78018"	"78018"	"3H-Pyrrolo[3,2-f]quinolinium, 2,3,6,7-tetramethyl-, iodide"	"Cc1ccc2c3cc(C)n(C)c3ccc2[n+]1C"	0	""	""	1	1	24188629	""
"78206"	"78206"	"Cyclobenzaprine Hydrochloride"	"CN(C)CCC=C1c2ccccc2C=Cc3ccccc13"	0	""	"FDA approved"	1	1	NA	"6202239"
"78298"	"78298"	"N,N-Bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline"	"ClCCN(CCCl)c1ccc(cc1)n2cnc3c(Cl)ncnc23"	0	""	""	1	1	254234	"16208041"
"78312"	"78312"	"[5-(2-Amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)n2cnc3C(=S)N=C(N)Nc23"	0	""	""	2	2	5254146	""
"78325"	"78325"	"2-[4-[(Z)-4-[4-[2-(Diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride"	"CCN(CC)CCOc1ccc(cc1)\C(=C(\CC)/c2ccc(OCCN(CC)CC)cc2)\CC"	0	""	""	2	2	54605975	""
"78365"	"78365"	"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-"	"CCCCOc1ccc(NC(=N)Nc2ccc(Cl)cc2)cc1"	0	""	""	2	2	254258	""
"78508"	"78508"	"WLN: T56 BN DN FN HNJ D4 IS1"	"CCCCn1cnc2c(SC)ncnc12"	0	""	""	1	1	96530	"15923485"
"78572"	"78572"	"wln: t66 bnj bo emq &gh"	"ONc1cc[n+]([O-])c2ccccc12"	0	NA	NA	2	2	NA	"1010613"
"78627"	"78627"	"Naphtho[2,1-b]quinolizinium, 7,10-dimethyl- perchlorate"	"Cc1ccc2c(C)c3ccc4ccccc4c3c[n+]2c1"	0	""	""	2	2	21144325	""
"78629"	"78629"	"naphtho[1,2-b]quinolizinium, 10,13-dimethyl- chloride"	"Cc1ccc2c(C)c3c(ccc4ccccc34)c[n+]2c1"	0	""	""	1	1	20245316	""
"78634"	"78634"	"4H-1-Benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphe..."	"COc1cc(OC)c(C2=C(O)C(=O)c3ccccc3O2)c(OC)c1"	0	""	""	2	2	254343	""
"78714"	"78714"	"Clothixamide Maleate"	"CNC(=O)CCN1CCN(CC\C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1"	0	NA	NA	2	1	NA	""
"79037"	"79037"	"Lomustine"	"ClCCN(N=O)C(=O)NC1CCCCC1"	0	"A6|AlkAg"	"FDA approved"	51	6	NA	"13010474"
"79093"	"79093"	"gardenin b"	"COc1ccc(cc1)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	2	2	NA	"2798201"
"79139"	"79139"	"AT-051/43421285"	"Nc1ccc(\C=C\c2ccc3ncccc3c2)cc1"	0	""	""	1	1	5936795	"54820"
"79140"	"79140"	"AT-051/43421286"	"Nc1ccc(\C=C\c2ccc3cccnc3c2)cc1"	0	""	""	1	1	5937681	"54831"
"79250"	"79250"	"Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate"	"CCOC(=O)c1ccc(cc1)N(CCC(=O)CCl)C=O"	0	""	""	2	2	254720	"4261023"
"79304"	"79304"	"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone"	"CC1C(C)N(C(=O)CCl)c2ccccc2N1C(=O)CCl"	0	""	""	2	1	254760	"6699509"
"79456"	"79456"	"3-nitro-2',4'-salicyloxylidide"	"Cc1ccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c(C)c1"	0	""	""	1	1	186171	"33581087"
"79459"	"79459"	"5'-Chloro-2'-methoxy-3-nitrosalicylanilide"	"COc1ccc(Cl)cc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	2	1	186169	"33581054"
"79543"	"79543"	"Pyridinium, 5-ethyl-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-..."	"CCc1ccc(\C=C\c2ccc(O)c3ncccc23)[n+](C)c1"	0	""	""	2	2	135534376	"2246802"
"79563"	"79563"	"1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyr..."	"Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c4cc5ccccc5c6ccccc46)cc1"	0	""	""	1	1	254860	""
"79606"	"79606"	"3-(5,6a-Dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid"	"CCC(=O)OC1CCC2C3CCC(=O)OC3C(C)(CCC(=O)O)CC12C"	0	""	""	1	1	254882	""
"79687"	"79687"	"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide"	"Oc1ccc2C(=CC(=O)Oc2c1)CC(=O)N\N=C\c3ccc(cc3)N(CCCl)CCCl"	0	""	""	1	1	9615407	"14522204"
"79688"	"79688"	"N-[(E)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide"	"Cc1cc(ccc1\C=N\NC(=O)CC2=CC(=O)Oc3cc(O)ccc23)N(CCCl)CCCl"	0	""	""	1	1	5351196	"14415431"
"79741"	"79741"	"2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4'..."	"Nc1c(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(O)ccc5cc(cc(c45)S(=O)(=O)O)S(=O)(=O)O)c(cc6cc(c(N=Nc7ccccc7)c(O)c16)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	2	1	135479135	""
"80103"	"80103"	"2,3-Butanediol, 1,4-bis(2-methyl-1-aziridinyl)- (8CI)"	"CC1CN1CC(O)C(O)CN2CC2C"	0	NA	NA	2	2	NA	"15870209"
"80111"	"80111"	"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline"	"ClCCN(CCCl)c1ccc(OCc2ccccc2)cc1"	0	""	""	1	1	254980	"17794353"
"80126"	"80126"	"Cyclopentanecarboxylic acid, 1-amino-, benzyl ester, p-t..."	"NC1(CCCC1)C(=O)OCc2ccccc2"	0	""	""	1	1	254983	""
"80141"	"80141"	"6,7-Dichloro-9H-fluoren-2-amine"	"Nc1ccc2c(Cc3cc(Cl)c(Cl)cc23)c1"	0	""	""	1	1	254996	""
"80186"	"80186"	"chrysonex"	"Nc1cc2c3ccccc3ccc2c4ccccc14"	0	""	""	2	2	17534	"2642980"
"80396"	"80396"	"1,3-Butanedione, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-"	"FC(F)(F)C(=O)CC(=O)c1csc2ccccc12"	0	""	""	1	1	96570	"392290"
"80465"	"80465"	"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-4,..."	"Cc1[n+](C)c2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	NA	NA	2	2	NA	""
"80466"	"80466"	"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-3-..."	"CC(C)Cn1c(C)[n+](C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	3	3	24188900	""
"80467"	"80467"	"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-2-methyl-1-(2-m..."	"CC(C)C[n+]1c(C)n(CC(=O)c2ccc(cc2)[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c13"	0	NA	NA	2	2	NA	""
"80469"	"80469"	"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-isopropyl-3-m..."	"CC(C)n1c(\C=C\c2ccccc2)[n+](C)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	5	5	54605678	""
"80734"	"80734"	"Carbanilide, 4,4''-oxybis[4'-cyano-"	"O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(cc3)C#N)cc2)cc1)Nc4ccc(cc4)C#N"	0	""	""	1	1	255329	""
"80735"	"80735"	"Carbanilide, 4,4''-oxybis[4'-nitro"	"[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Oc3ccc(NC(=O)Nc4ccc(cc4)[N+](=O)[O-])cc3)cc2)cc1"	0	""	""	2	1	255330	""
"80756"	"80756"	"WLN: T66 BNJ E1U1R BO1 DO1 EO1"	"COc1cc(OC)c(\C=C\c2ccnc3ccccc23)cc1OC"	0	""	""	5	2	5351198	"2878628"
"80870"	"80870"	"hydrouracil, 5-bromo-1-(2-deoxy-.beta.-d-erythro-pentofu..."	"COC1N(C2CC(O)C(CO)O2)C(=O)NC(=O)C1(F)Br"	0	NA	NA	5	4	NA	"1031614"
"80948"	"80948"	"p-Benzenediacrylanilide, 3',3''-bis(1,4,5,6-tetrahydro-2..."	"O=C(Nc1cccc(c1)C2=NCCCN2)\C=C\c3ccc(\C=C\C(=O)Nc4cccc(c4)C5=NCCCN5)cc3"	0	NA	NA	2	1	NA	""
"80997"	"80997"	"Ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1..."	"C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C)cnn5c6ccccc6"	0	""	""	2	2	255437	"14000432"
"80998"	"80998"	"Cortivazol"	"CC1CC2C3C=C(C)C4=Cc5c(CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(=O)C)cnn5c6ccccc6"	0	""	"FDA approved"	2	2	NA	"1110403"
"81048"	"81048"	"7-Chloro-6-methoxyquinoline-5,8-dione"	"COC1=C(Cl)C(=O)c2ncccc2C1=O"	0	""	""	2	2	255470	"59962968"
"81052"	"81052"	"Streptonigrin analog (MeO-N3)"	"COC1=C(N=[N+]=[N-])C(=O)c2ncccc2C1=O"	0	""	""	3	3	494043	"14097337"
"81206"	"81206"	"Lithium;[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate"	"[Li+].OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	54604163	"980187"
"81260"	"81260"	"nitrocresolamine"	"Nc1ccc(N)c2C(=O)c3c(cccc3[N+](=O)[O-])C(=O)c12"	0	""	""	2	2	4421615	"82337"
"81274"	"81274"	"benzophenone, 3,3',4,4',5-pentamethoxy- (8ci)"	"COc1ccc(cc1OC)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	255605	"22699974"
"81280"	"81280"	""	"BrCc1cccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	NA	NA	1	1	NA	""
"81303"	"81303"	"N-Fluoranthen-2-ylacetamide"	"CC(=O)Nc1cc2c3ccccc3c4cccc(c1)c24"	0	""	""	1	1	255622	"13823557"
"81403"	"81403"	"Ketone, 7-(p-fluorophenyl)-1,2,3,3a,3b,7,10,10a,10b,11,1..."	"C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=Cc5c(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C)cnn5c6ccc(F)cc6"	0	""	""	2	2	255700	""
"81465"	"81465"	"N',N'-Bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride"	"CN(C)CCCN(CCC1CCCCC1)CCC2CCCCC2"	0	""	""	2	2	54609597	""
"81517"	"81517"	"Benz[c]acridin-7(5H)-one, 6,6a,12,12a-tetrahydro-5,5-dim..."	"CC1(C)CC2C(Nc3ccccc3C2=O)c4ccccc14"	0	""	""	2	2	255766	""
"81540"	"81540"	"2-[3-[Cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile"	"Oc1ccccc1C2N(CCCN2C(C#N)c3ccccc3)C(C#N)c4ccccc4"	0	""	""	1	1	416751	"2164707"
"81747"	"81747"	"1-((Benzylamino)methyl)-2-naphthalenethiol"	"Sc1ccc2ccccc2c1CNCc3ccccc3"	0	""	""	1	1	255831	""
"81767"	"81767"	"Cinnamamide, p-[bis(2-bromoethyl)amino]-.alpha.-cyano-"	"NC(=O)\C(=C/c1ccc(cc1)N(CCBr)CCBr)\C#N"	0	""	""	2	2	6282616	""
"81947"	"81947"	"dibask"	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2"	0	NA	NA	2	2	NA	"87127"
"82013"	"82013"	"p-toluidine, .alpha.-inden-1-ylidene-n-methyl- (8ci)"	"CNc1ccc(\C=C/2\C=Cc3ccccc23)cc1"	0	NA	NA	1	1	NA	"443298"
"82025"	"82025"	"2',3-Dinitro-p-salicylotoluidide"	"Cc1ccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	1	1	255922	"73454907"
"82028"	"82028"	"Benzamide, N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro- (9CI)"	"Cc1cccc(NC(=O)c2cccc(c2O)[N+](=O)[O-])c1C"	0	""	""	2	2	255923	"73454963"
"82029"	"82029"	"2',5'-salicyloxylidide, 3-nitro-"	"Cc1ccc(C)c(NC(=O)c2cccc(c2O)[N+](=O)[O-])c1"	0	""	""	1	1	45953	"63981168"
"82109"	"82109"	"iodonium, dimesityl- chloride"	"Cc1cc(C)c([I+]c2c(C)cc(C)cc2C)c(C)c1"	0	""	""	2	2	54609598	""
"82116"	"82116"	"gloxazon"	"CCOC(C)\C(=N/NC(=S)N)\C=N\NC(=S)N"	0	NA	NA	2	2	NA	"2507917"
"82133"	"82133"	"Algocor"	"CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3"	0	""	""	1	1	6237	"68906"
"82151"	"82151"	"Daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	126	96	NA	"23541506"
"82219"	"82219"	"Adenosine, 4'-thio-"	"Nc1ncnc2c1ncn2C3SC(CO)C(O)C3O"	0	NA	NA	1	1	NA	"2500803"
"82260"	"82260"	"Benzathine tenuazonate"	"CC[C@@H](C)[C@@H]1NC(=O)C(=C1O)C(=O)C.C(CNCc2ccccc2)NCc3ccccc3"	0	NA	NA	1	1	NA	"18413371"
"82274"	"82274"	"Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate"	"CCOC(=O)c1ccc(cc1)N(CCOS(=O)(=O)c2ccc(C)cc2)CCOS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	256046	"15314348"
"82339"	"82339"	"WLN: T56 A BN ENTJ A- DT6NJ"	"C1CN2CCN(C1)C2c3ccncc3"	0	""	""	1	1	96625	"13022805"
"82489"	"82489"	"C15014"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C\C(=N/O)\C2=O"	0	""	""	2	2	9561873	"60834459"
"82587"	"82587"	"L-Tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylen..."	"NC(Cc1ccc(O)cc1)C(=O)N\N=C\c2ccc(cc2)N(CCCl)CCCl"	0	""	""	1	1	9568284	""
"82655"	"82655"	"1-Nitro-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine"	"N\C(=N/N=C/c1ccc(cc1)c2ccccc2)\N[N+](=O)[O-]"	0	""	""	2	2	24189043	"41467894"
"82802"	"82802"	"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](c5cc([nH]n5)C(F)(F)F)[C@@]4(C)CC[C@H]23"	0	""	""	2	2	256248	""
"82803"	"82803"	"(3S,8S,9R,10S,13R)-17-(1-acetyl-5-(trifluoro methyl)-1H-..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4c5cc(n(n5)C(=O)C)C(F)(F)F)[C@@H]3CC=C2C1"	0	""	""	2	1	256249	""
"82892"	"82892"	"nogalamycin compound b"	"COC(=O)c1c(C)ccc2c(O)c3C(=O)c4c(O)cc5c(OC6(C)OC5(C)C(O)C(C6O)N(C)C)c4C(=O)c3cc12"	0	""	""	4	2	4348193	""
"83014"	"83014"	"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone"	"CC(C)CC(=O)CC(O)C(Cl)(Cl)Cl"	0	""	""	1	1	256296	"22703726"
"83066"	"83066"	"8-Quinolinol, 5-(chloromethyl)-, hydrochloride"	"Oc1ccc(CCl)c2cccnc12"	0	NA	NA	1	1	NA	"4053456"
"83110"	"83110"	"J-502985"	"ClCCNC(=O)Nc1cccnc1"	0	""	""	1	1	256330	"13908582"
"83142"	"83142"	"Daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	2	2	NA	"20830813"
"83193"	"83193"	"setoglaucin"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl"	0	""	""	3	2	107404	"3521060"
"83216"	"83216"	"Apocannoside"	"[R]OC1CCC2(C=O)C(CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)C1"	0	""	""	1	1	5459315	""
"83217"	"83217"	"wln: zswor cz dssr bz doszw"	"Nc1cc(ccc1SSc2ccc(cc2N)S(=O)(=O)N)S(=O)(=O)N"	0	""	""	2	1	19790	"3905928"
"83219"	"83219"	"N-(p-Styrylphenyl)acetohydroxamic acid"	"CC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1"	0	NA	NA	2	2	NA	"18559950"
"83223"	"83223"	"silver methylsulfonate"	"[Ag+].CS(=O)(=O)O"	0	NA	NA	1	1	NA	"2386529"
"83224"	"83224"	"925876PZ8X"	"NCCNC(=S)S"	0	""	""	1	1	3246302	"20950849"
"83233"	"83233"	"Naphthalene, 1,5-bis(chloromethyl)-"	"ClCc1cccc2c(CCl)cccc12"	0	""	""	1	1	74424	"1733762"
"83265"	"83265"	"Trityl cysteine"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O"	0	"TUBB"	""	12	6	NA	"2799077"
"83279"	"83279"	"agecorynin c"	"COc1cc(OC)c(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2"	0	""	""	2	2	256420	"70460310"
"83281"	"83281"	"4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-[4-(1-meth..."	"COc1c(OC)c(OC)c2C(=O)C=C(Oc2c1OC)c3ccc(OC(C)C)cc3"	0	""	""	2	2	256422	"70460263"
"83292"	"83292"	"6H-Pyrido[4,3-b]carbazole, 1-(p-chlorophenyl)-3,4-dihydr..."	"Cc1c2CCN=C(c3ccc(Cl)cc3)c2cc4c5ccccc5[nH]c14"	0	""	""	5	3	256427	"4241423"
"83300"	"83300"	"Ethyl fluoranthen-3-ylcarbamate"	"CCOC(=O)Nc1ccc2c3ccccc3c4cccc1c24"	0	""	""	1	1	256431	""
"83318"	"83318"	"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-"	"Oc1cc(Cl)c(N=Nc2ccc(cc2)[N+](=O)[O-])c(Cl)c1"	0	""	""	1	1	256444	"88210371"
"83321"	"83321"	"STK756818"	"C(=C1c2ccccc2c3ccccc13)c4ccccn4"	0	""	""	1	1	256447	"2871274"
"83327"	"83327"	"1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea"	"CCCNC(=O)Nc1ccc2c(Cc3cc(ccc23)N(CCCl)CCCl)c1"	0	""	""	1	1	256452	"6662948"
"83340"	"83340"	"Iyomycin B1"	"Cn1cnc2nc(Cl)nc(N)c12"	0	NA	NA	2	2	NA	"11030130"
"83343"	"83343"	"5-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile"	"ClCCN(CCCl)c1ccc(\C=N\c2cnc(C#N)s2)cc1"	0	""	""	1	1	9568291	"92550282"
"83459"	"83459"	"Indole-2,3-dione, 3-(4,4-dimethyl-3-thiosemicarbazone)"	"CN(C)C(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	2	1	256526	"6452080"
"83492"	"83492"	"1,3-Benzodioxol-5-yl[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	"Clc1cccc(c1)N2CCN(CC2)C(=S)c3ccc4OCOc4c3"	0	""	""	2	2	256556	""
"83502"	"83502"	"(3,4-Dimethoxyphenyl)[4-(3-methylphenyl)piperazin-1-yl]methanethione"	"COc1ccc(cc1OC)C(=S)N2CCN(CC2)c3cccc(C)c3"	0	""	""	1	1	256566	""
"83606"	"83606"	"4-Benzoyl-3-hydroxyphenyl 2-ethylhexanoate"	"CCCCC(CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1"	0	""	""	1	1	256608	""
"83628"	"83628"	"p-Diazodiphenylamine sulfate-paraformaldehyde polymer"	"OS(=O)(=O)O.C=O.N#[N+]c1ccc(Nc2ccccc2)cc1"	0	""	""	1	1	416926	"9070364"
"83633"	"83633"	""	"CC(C)CC(N)C(=O)Nc1ccc2ccccc2c1"	0	NA	NA	1	1	NA	""
"83715"	"83715"	"STL361983"	"N1C(Nc2cccc3cccc1c23)c4cccnc4"	0	""	""	1	1	256661	"6584414"
"83950"	"83950"	"nigrin"	"COC1=C(N)C(=O)c2nc(ccc2C1=O)c3nc(C(=O)O)c(C)c(c3N)c4ccc(OC)c(OC)c4O"	0	NA	NA	6	2	NA	"3930196"
"84033"	"84033"	"C15001"	"CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]4(C)C=C(C[C@@H]34)C=O)C1"	0	""	""	1	1	256729	"65065578"
"84061"	"84061"	"SXPXVPGJBRZVLW-UHFFFAOYSA-M"	"CCOCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	24189128	"25361697"
"84063"	"84063"	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)Oc4ccccc4"	0	NA	NA	2	2	NA	"22409832"
"84064"	"84064"	"(2-(Benzyloxy)ethyl)triphenylphosphonium bromide"	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4"	0	""	""	1	1	24189130	""
"84069"	"84069"	"wln: ro3pr&r&r &e &4/12"	"C(COc1ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	3048782	"63985671"
"84073"	"84073"	""	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	"7333677"
"84074"	"84074"	"Phosphonium, (3-bromopropyl)triphenyl- bromide"	"BrCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	2723862	"3607178"
"84086"	"84086"	"7-{[(2-Bromophenyl)amino](phenyl)methyl}quinolin-8-ol"	"Oc1c(ccc2cccnc12)C(Nc3ccccc3Br)c4ccccc4"	0	""	""	1	1	256750	""
"84092"	"84092"	"7-[(Naphthalen-1-ylamino)(phenyl)methyl]quinolin-8-ol"	"Oc1c(ccc2cccnc12)C(Nc3cccc4ccccc34)c5ccccc5"	0	""	""	1	1	256754	""
"84093"	"84093"	"7-(phenyl(p-tolylamino)methyl)quinolin-8-ol"	"Cc1ccc(NC(c2ccccc2)c3ccc4cccnc4c3O)cc1"	0	""	""	2	1	256755	""
"84094"	"84094"	"Enamine_000429"	"Oc1c(ccc2cccnc12)C(Nc3ccccn3)c4ccccc4"	0	""	""	2	2	256756	""
"84096"	"84096"	"8-Quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-"	"Oc1c(ccc2cccnc12)C(Nc3cccc4cccnc34)c5ccccc5"	0	""	""	1	1	256758	""
"84145"	"84145"	""	"OC(=O)CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"51114944"
"84167"	"84167"	"B1A8BPF5U8"	"OC(=O)c1ccc2C(=O)c3ccccc3c4ncnc1c24"	0	""	""	2	2	72574	"65359162"
"84248"	"84248"	"phenylmercury benzoate"	"O=C(O[Hg]c1ccccc1)c2ccccc2"	0	""	""	2	2	16682929	"94439"
"84423"	"84423"	"ethidium chloride"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	1	1	NA	"602528"
"84429"	"84429"	"metofurone"	"[O-][N+](=O)c1oc(cc1)C(=O)CCl"	0	""	""	2	2	21753	"5579953"
"84661"	"84661"	""	"[O-][N+](=O)c1c(Br)sc(Br)c1[N+](=O)[O-]"	0	NA	NA	1	1	NA	"52431308"
"85068"	"85068"	"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol"	"Cc1nc(N)nc2SC(O)CCc12"	0	""	""	1	1	257143	"92503667"
"85069"	"85069"	"2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol"	"CC1=C(CCCNc2ccccc2)C(=S)N=C(N)N1"	0	""	""	1	1	3246306	"2360681"
"85230"	"85230"	"Indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-, m..."	"COC(=O)CCc1c[nH]c2ccc(cc12)N(CCCl)CCCl"	0	""	""	2	2	257269	"93017664"
"85234"	"85234"	"Pinnatifidin"	"CC1=CC(=O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@@H]12"	0	""	""	1	1	73465	"35730859"
"85235"	"85235"	"Ambrosin"	"CC1CCC2C(OC(=O)C2=C)C3(C)C1C=CC3=O"	0	NA	NA	3	3	NA	"509933"
"85236"	"85236"	"Helenalin"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]3(C)[C@H]1C=CC3=O"	0	""	""	2	2	23205	"6754138"
"85242"	"85242"	"Coronopilin"	"C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]3(C)C(=O)CC[C@@]13O"	0	NA	NA	1	1	NA	"2571815"
"85262"	"85262"	"5-Ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	"CCNCCC1(CC)C(=O)NC(=O)NC1=O"	0	""	""	2	1	257295	""
"85323"	"85323"	"V1G7II8M3G"	"Cc1nnc2ccccc2c1O"	0	""	""	1	1	257352	"7317820"
"85372"	"85372"	"(Z)-3-Cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid"	"OC(=O)\C(=C(\C#N)/c1ccc(cc1)c2cccc3ccccc23)\O"	0	""	""	1	1	3246307	""
"85431"	"85431"	""	"CC(C)NCCC(O)c1oc2ccccc2c1"	0	NA	NA	1	1	NA	""
"85442"	"85442"	"Amiodarone hydrochloride"	"CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3"	0	""	"FDA approved"	2	1	NA	"19774824"
"85450"	"85450"	"C15162"	"CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc3c(CN4CCCC4)c(O)ccc13"	0	""	""	1	1	257434	"16797572"
"85459"	"85459"	"wln: t6n dotj a1r bq cq d1- at6n dotj"	"Oc1c(CN2CCOCC2)ccc(CN3CCOCC3)c1O"	0	""	""	1	1	96672	"25163626"
"85485"	"85485"	"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol"	"Oc1ccc(Cc2cc(Cl)cc(Cl)c2O)cc1Cl"	0	""	""	1	1	257459	""
"85508"	"85508"	"vantoc cl"	"CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	8753	"139071"
"85561"	"85561"	"3-hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitro..."	"[Na+].Oc1cc(c2c(cccc2c1N=Nc3ccc4ccccc4c3O)[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	1	1	NA	"518887"
"85566"	"85566"	"sddc"	"[Na+].CN(C)C(=S)S"	0	""	""	2	2	19877808	"128041"
"85700"	"85700"	"Quinolinium, 2-[2-(8-hydroxy-5-quinolyl)vinyl]-1,6-methy..."	"Cc1ccc2c(ccc(\C=C\c3ccc(O)c4ncccc34)[n+]2C)c1"	0	NA	NA	4	2	NA	"6759893"
"85701"	"85701"	"Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-..."	"CCOc1ccc2c(ccc(\C=C\c3ccc(O)c4ncccc34)[n+]2C)c1"	0	""	""	1	1	135429828	"6759906"
"85743"	"85743"	"carboxymethyl ethylxanthate"	"CCOC(=S)SCC(=O)O"	0	""	""	1	1	33055	"25554841"
"85759"	"85759"	""	"CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O"	0	NA	NA	1	1	NA	"27652217"
"85775"	"85775"	"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	"CC(C)C1=CC=CC(=O)C(=C1)O.C=O"	0	""	""	1	1	257608	""
"85776"	"85776"	"WLN: L7VJ BOVR DNW& CI"	"[O-][N+](=O)c1ccc(cc1)C(=O)OC2=C(I)C=CC=CC2=O"	0	""	""	1	1	18074	"2961877"
"85779"	"85779"	"N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide"	"COc1ccc(cc1)C(=O)NC2=CC=C(O)C(=O)C=C2"	0	""	""	1	1	257612	""
"85791"	"85791"	"Ethacrynic Acid"	"CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"	0	NA	NA	2	1	NA	"58548"
"85998"	"85998"	"STREPTOZOCIN"	"CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO"	0	"A7|AlkAg"	"FDA approved"	50	3	NA	"18883664"
"86005"	"86005"	"nogalarol"	"COC(=O)C1c2cc3C(=O)c4c5OC6OC(C)(C(O)C(C6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2C(O)CC1(C)O"	0	""	""	2	1	122727	""
"86078"	"86078"	"cynotoxin"	"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5"	0	""	""	2	2	6185	"66284"
"86100"	"86100"	"NCIMech_000403"	"Cc1c2CCN=Cc2cc3c4ccccc4[nH]c13"	0	""	""	5	2	257702	"4238679"
"86140"	"86140"	"Bis[(3-pyridyl)methyl]amine"	"C(NCc1cccnc1)c2cccnc2"	0	""	""	1	1	74257	"1656946"
"86225"	"86225"	"bisbid"	"CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C"	0	NA	NA	1	1	NA	"23288495"
"86354"	"86354"	"(p-Nitrophenyl)phenyliodonium bromide"	"[O-][N+](=O)c1ccc([I+]c2ccccc2)cc1"	0	NA	NA	2	1	NA	"4072484"
"86368"	"86368"	"5-Methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide"	"Cc1cc(\C=C/c2ccc3ccccc3[n+]2C)c(O)c4ncccc14"	0	""	""	2	2	135534469	"13953247"
"86371"	"86371"	"Quinolinium, 2-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-..."	"Cc1ccc2c(ccc(\C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1"	0	""	""	1	1	135483953	"13785201"
"86372"	"86372"	"Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-methyl-7-quinoly..."	"CCOc1ccc2c(ccc(\C=C/c3cc(C)c4cccnc4c3O)[n+]2C)c1"	0	NA	NA	3	2	NA	"13953258"
"86373"	"86373"	"Quinolinium, 4-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-..."	"Cc1cc(\C=C\c2cc[n+](C)c3ccccc23)c(O)c4ncccc14"	0	NA	NA	2	2	NA	"10277404"
"86374"	"86374"	"5-[(E)-2-(3-Methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide"	"C[n+]1c(\C=C\c2ccc(O)c3ncccc23)[se]c4ccccc14"	0	""	""	2	2	135488972	"6759860"
"86467"	"86467"	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC(=O)O)ccc34)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	"1428666"
"86714"	"86714"	""	"CC(C)(N)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O"	0	NA	NA	1	1	NA	"38402492"
"87015"	"87015"	"1,1'-(benzo[d][1,3]dioxol-5-ylmethylene)dipiperazine"	"C1CN(CCN1)C(N2CCNCC2)c3ccc4OCOc4c3"	0	""	""	1	1	258237	""
"87034"	"87034"	"(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone"	"COc1cc(C(=O)N2CCN(CC2)c3ccccc3)c4ccccc4n1"	0	""	""	2	2	258251	""
"87084"	"87084"	"1,3-Benzothiazol-2-yl(3,4,5-trimethoxyphenyl)methanol"	"COc1cc(cc(OC)c1OC)C(O)c2nc3ccccc3s2"	0	""	""	1	1	258293	""
"87086"	"87086"	"8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one"	"ClCCN(CCCl)c1ccc(cc1)c2nc3NC=NC(=O)c3[nH]2"	0	""	""	1	1	135454065	""
"87112"	"87112"	""	"CC1CN(CCO)CCN1c2ccccc2"	0	NA	NA	1	1	NA	""
"87119"	"87119"	""	"Cc1ccc(cc1)N2CCN(CCC(=O)O)CC2"	0	NA	NA	2	2	NA	""
"87197"	"87197"	""	"COc1cc(\C=C\c2ccnc3ccccc23)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"87221"	"87221"	"Actinomycin C3"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	1	NA	"2612148"
"87222"	"87222"	"actinomycin vii"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)CC)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	1	NA	""
"87314"	"87314"	"Strophanthidol"	"C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"560543"
"87364"	"87364"	"3,6-dibromophenanthrene-9,10-dione"	"Brc1ccc2C(=O)C(=O)c3ccc(Br)cc3c2c1"	0	""	""	2	2	258450	"53348053"
"87406"	"87406"	"Aristololactam"	"COc1cccc2c1cc3NC(=O)c4cc5OCOc5c2c34"	0	""	""	1	1	96710	"13395023"
"87413"	"87413"	"Vilangin"	"CCCCCCCCCCCC1=C(O)C(=O)C(=C(O)C1=O)CC2=C(O)C(=O)C(=C(O)C2=O)CCCCCCCCCCC"	0	""	""	1	1	417182	"4370687"
"87450"	"87450"	"2,6-Diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol"	"NC1=NC(=O)C(=C(N)N1)Cn2ccnc2"	0	""	""	1	1	135403641	""
"87500"	"87500"	"Solacongestidine"	"C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C5=NC[C@H](C)CC5"	0	""	""	2	2	258526	"984827"
"87862"	"87862"	"Sulfonaphtholazoresorcinol"	"Oc1ccc(N=Nc2c(O)cc(c3ccccc23)S(=O)(=O)O)c(O)c1"	0	""	""	1	1	85517	"16623475"
"87864"	"87864"	"salicyl n-salicylidenehydrazide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2O"	0	NA	NA	1	1	NA	"3232368"
"87868"	"87868"	"Phenethyl Isothiocyanate"	"S=C=NCCc1ccccc1"	0	""	""	2	2	16741	"2257092"
"87877"	"87877"	"8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline..."	"Oc1c(cc(c2cccnc12)S(=O)(=O)O)N=Nc3ccc4cc(ccc4c3)S(=O)(=O)O"	0	NA	NA	1	1	NA	"56990579"
"88054"	"88054"	"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol"	"COc1ccc2nccc(C=O)c2c1"	0	""	""	2	2	258759	""
"88065"	"88065"	"2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol"	"CN(CCO)Cc1ncccc1O"	0	""	""	1	1	258769	""
"88104"	"88104"	"sri 2636"	"ClCCN(N=O)C(=O)N[C@H]1CCCC[C@@H]1Cl"	0	""	""	1	1	258797	"13909121"
"88135"	"88135"	"Brahmic acid"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(=O)O"	0	NA	NA	3	1	NA	"18449417"
"88381"	"88381"	"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide"	"Clc1ccc2NP(=S)(Nc2c1)c3ccccc3"	0	""	""	1	1	258918	"4600173"
"88421"	"88421"	"Crinamin"	"CO[C@@H]1C[C@H]2N3CC(O)[C@]2(C=C1)c4cc5OCOc5cc4C3"	0	NA	NA	1	1	NA	"639418"
"88468"	"88468"	"etamycin"	"CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C3CC(O)CN3C1=O)c4ccccc4"	0	""	""	4	1	417256	""
"88499"	"88499"	"pmsf"	"FS(=O)(=O)Cc1ccccc1"	0	""	""	1	1	4784	"329986"
"88536"	"88536"	"Calusterone"	"C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@H]13"	0	"Ho"	"FDA approved"	2	1	28204	"17021260"
"88871"	"88871"	"JS-053C"	"Ic1ccc(cc1)N2C(=O)C=CC2=O"	0	""	""	2	2	96758	"65833014"
"88903"	"88903"	"6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	"CC1(C)N=C(N)N=C(N)N1CCCCc2ccccc2"	0	""	""	2	2	5351906	"2113066"
"88915"	"88915"	"170D343"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c5ccc(Br)cc5"	0	""	""	2	2	259210	"21170343"
"88916"	"88916"	"10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,..."	"Cc1nc(cs1)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C"	0	""	""	2	2	259211	""
"88927"	"88927"	"Ardisin"	"CCCCCCCCCCCCCC1=C(O)C(=O)C(=C(O)C1=O)CC2=C(O)C(=O)C(=C(O)C2=O)CCCCCCCCCCCCC"	0	""	""	1	1	417291	"13917356"
"88941"	"88941"	"8-quinolinol, vanadium(v) complex"	"O[V]12(=O)(OC3CCCC4CCCN1C34)OC5CCCC6CCCN2C56"	0	""	""	1	1	54606261	"19631948"
"88971"	"88971"	"N-(1,3-Dichloro-7-nitro-9H-fluoren-2-yl)formamide"	"[O-][N+](=O)c1ccc2c(Cc3c(Cl)c(NC=O)c(Cl)cc23)c1"	0	""	""	2	2	259241	""
"89074"	"89074"	"Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)ami..."	"OS(=O)(=O)SCCNCCCCCC1CCCCC1"	0	""	""	2	1	96765	"21209030"
"89133"	"89133"	""	"[R]N.[R]Cl.[R]OC.c1ccc2c(c1)ccc3ccccc23"	0	NA	NA	1	1	NA	""
"89167"	"89167"	"C17H18ClNO3S"	"Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl"	0	""	""	1	1	9824	"329306"
"89171"	"89171"	"Tetrazolium violet"	"c1ccc(cc1)c2n[n+](c3cccc4ccccc34)n(n2)c5ccccc5"	0	""	""	1	1	74395	"1719717"
"89172"	"89172"	"2H-Tetrazolium, 3-(2-biphenylyl)-2,5-diphenyl- chloride"	"c1ccc(cc1)c2ccccc2[n+]3nc(nn3c4ccccc4)c5ccccc5"	0	""	""	2	2	24189419	""
"89201"	"89201"	"Estramustine"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2O"	0	"A7|TUBB|AlkAg"	"FDA approved"	5	2	NA	"2998574"
"89239"	"89239"	"monopar"	"CC[n+]1c(\C=C\c2ccc(cc2)N3CCCC3)cccc1\C=C\c4ccc(cc4)N5CCCC5"	0	""	""	2	2	6433387	"3784994"
"89400"	"89400"	""	"O=C1C=C(Nc2ccccc2)c3ncccc3C1=O"	0	NA	NA	2	1	NA	""
"89488"	"89488"	"N-Methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline"	"CNc1ccc(CSc2ccc(C)cc2)cc1"	0	""	""	1	1	259517	"92547698"
"89500"	"89500"	"N,4-Bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline"	"CN(CSc1ccc(Cl)cc1)c2ccc(CSc3ccc(Cl)cc3)cc2"	0	""	""	1	1	259528	""
"89602"	"89602"	"1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- metho..."	"COc1ccc(OCC(O)CN2CCN(CC2)c3ccc(Cl)cc3)cc1"	0	""	""	1	1	259580	"450497"
"89671"	"89671"	"lunatin"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	""	""	7	4	5351204	"60132232"
"89736"	"89736"	"s-Triazine, 2-amino-4-anilino-6-(chloromethyl)-"	"Nc1nc(CCl)nc(Nc2ccccc2)n1"	0	""	""	1	1	34942	"30355603"
"89822"	"89822"	"5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one"	"NC1=NC(=O)c2nnn(C3CC(O)C(CO)O3)c2N1"	0	""	""	2	2	135454027	"4546730"
"90137"	"90137"	"sulfide, 2,4-dinitrophenyl 2-nitro-p-tolyl"	"Cc1ccc(Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	1	1	259746	""
"90311"	"90311"	"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole"	"Clc1ccc(cc1Cl)c2oc(nn2)c3cccc4ccccc34"	0	""	""	1	1	259766	""
"90318"	"90318"	"2-Bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one"	"Brc1ccc2C(C3c4ccccc4C(=O)c5cc(Br)ccc35)c6ccccc6C(=O)c2c1"	0	""	""	1	1	417379	""
"90394"	"90394"	"8-aminoadenosine"	"Nc1ncnc2c1nc(N)n2C3OC(CO)C(O)C3O"	0	NA	NA	2	2	NA	"3868335"
"90411"	"90411"	"2'-Ethyl-3-nitrosalicylanilide"	"CCc1ccccc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	1	1	259820	"73454918"
"90558"	"90558"	"menisperine iodide"	"COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4c2c1O"	0	""	""	1	1	24189461	"17669180"
"90600"	"90600"	"Iodonium, (p-nitrophenyl)phenyl- nitrate"	"O[N+](=O)O.[O-][N+](=O)c1ccc([I+]c2ccccc2)cc1"	0	""	""	1	1	6332375	"4072473"
"90615"	"90615"	""	"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O"	0	NA	NA	1	1	NA	"14635531"
"90616"	"90616"	"Betamethasone Sodium Phosphate"	"C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O"	0	NA	NA	2	2	NA	"151735"
"90636"	"90636"	"Vinblastine"	"CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C[C@@H](C3)[C@H]1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)[C@H]8[C@](O)([C@H](OC(=O)C)[C@]9(CC)C=CCN%10CC[C@]78[C@H]9%10)C(=O)OC"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	NA	""
"90736"	"90736"	"STK325057"	"O=C1NC(=S)NC(=O)C1=Cc2c[nH]c3ccccc23"	0	""	""	1	1	135443018	"53215615"
"90810"	"90810"	"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole"	"Cc1ccc(cc1)c2oc(nn2)c3ccc4ccccc4c3"	0	""	""	2	2	260000	"52596891"
"90829"	"90829"	""	"CC(C)(C)C1CCC2(CC1)CCN(CCCN3CCOCC3)CC2"	0	NA	NA	2	1	NA	""
"90862"	"90862"	"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole"	"Brc1ccccc1c2oc(cn2)c3ccccc3"	0	""	""	1	1	260020	"37611271"
"90903"	"90903"	"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide"	"Cc1cc(ccc1\C=N\NC(=O)c2cccnc2)N(CCCl)CCCl"	0	""	""	1	1	5984534	"16183714"
"90904"	"90904"	"Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]..."	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2cccnc2)cc1"	0	""	""	1	1	5867877	"16230801"
"91397"	"91397"	"1-Piperazineethanol, 4-(p-chlorophenyl)-.alpha.-[1-napht..."	"OC(COc1cccc2ccccc12)CN3CCN(CC3)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"91513"	"91513"	"Pyridine-2-aldehyde 2-pyridylhydrazone"	"N(\N=C\c1ccccn1)c2ccccn2"	0	NA	NA	2	1	NA	"2215330"
"91745"	"91745"	"9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9..."	"Cn1cnc(c1Sc2ncnc3c2ncn3C4OC(CO)C(O)C4O)[N+](=O)[O-]"	0	""	""	1	1	54606076	""
"92188"	"92188"	"isoquinaldaldehyde, thiosemicarbazone"	"NC(=S)N\N=C\c1nccc2ccccc12"	0	NA	NA	1	1	NA	"2365266"
"92207"	"92207"	"5-fluoranyl-7-nitro-quinolin-8-ol"	"Oc1c(cc(F)c2cccnc12)[N+](=O)[O-]"	0	""	""	1	1	260644	"18472021"
"92339"	"92339"	"Fluphenazine"	"CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO"	0	"NonCan:Psy"	"FDA approved"	3	2	6215	"67732"
"92412"	"92412"	""	"OC(C1=C\C(=C/c2ccncc2)\c3ccccc13)c4ccncc4"	0	NA	NA	2	1	NA	""
"92423"	"92423"	"Uridine, 2'-deoxy-5-(trifluoromethyl)-, 3',5'-bis(p-nitr..."	"[O-][N+](=O)c1ccc(cc1)C(=O)OCC2OC(CC2OC(=O)c3ccc(cc3)[N+](=O)[O-])N4C=C(C(=O)NC4=O)C(F)(F)F"	0	""	""	1	1	260750	"7057445"
"92494"	"92494"	"pyrimidine, 5-allyl-2,4,6-trichloro-"	"Clc1nc(Cl)c(CC=C)c(Cl)n1"	0	""	""	2	2	260780	"10182680"
"92495"	"92495"	"5-Butan-2-yl-2,4,6-trichloropyrimidine"	"CCC(C)c1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	260781	"14273780"
"92497"	"92497"	"Pyrimidine, 2,4,6-trichloro-5-pentyl-"	"CCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	260783	"14077679"
"92498"	"92498"	"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine"	"CC(C)CCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	260784	"14077691"
"92499"	"92499"	"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine"	"CCCC(C)c1c(Cl)nc(Cl)nc1Cl"	0	""	""	1	1	260785	"14095659"
"92504"	"92504"	"5-Benzyl-2,4,6-trichloropyrimidine"	"Clc1nc(Cl)c(Cc2ccccc2)c(Cl)n1"	0	""	""	1	1	260789	"14273791"
"92506"	"92506"	"Pyrimidine, 2,4,6-trichloro-5-heptyl-"	"CCCCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	260791	"14077715"
"92510"	"92510"	"NCIMech_000294"	"CCCCCCCCCc1c(Cl)nc(Cl)nc1Cl"	0	""	""	2	2	260795	"14077737"
"92530"	"92530"	"OR8600T"	"COc1cc2cc([nH]c2cc1OCc3ccccc3)C(=O)O"	0	""	""	1	1	260801	"2495923"
"92585"	"92585"	"Benzoic acid, p-[(purin-6-ylthio)mercuri]-"	"OC(=O)c1ccc([Hg]Sc2ncnc3nc[nH]c23)cc1"	0	""	""	2	2	3246339	""
"92618"	"92618"	"dichlorodipropyltin"	"CCC[Sn](Cl)(Cl)CCC"	0	""	""	1	1	93562	"867367"
"92713"	"92713"	"Arabinopyranoside, methyl, 2,3-dibenzoate 4-p-toluenesul..."	"COC1OCC(OS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c3ccccc3)C1OC(=O)c4ccccc4"	0	""	""	1	1	260901	"13143925"
"92835"	"92835"	"N-[Bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide"	"CC(=O)NC(c1nc2cc(C)c(C)cc2[nH]1)c3nc4cc(C)c(C)cc4[nH]3"	0	""	""	1	1	260983	""
"92859"	"92859"	"Arsenic trioxide"	"O1[As]2O[As]3O[As](O[As]1O3)O2"	0	"Apo"	"FDA approved"	5	2	261004	"1327533"
"92909"	"92909"	"ANTINEOPLASTIC-92909"	"NC(=O)CNc1ccc(cc1)\[As]=[As]\c2ccc(NCC(=O)N)cc2"	0	""	""	1	1	261046	""
"92915"	"92915"	"ANTINEOPLASTIC-92915"	"O=C(Nc1ccc(cc1)\[As]=[As]\c2ccc(NC(=O)c3ccccc3)cc2)c4ccccc4"	0	""	""	2	2	261051	""
"92937"	"92937"	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-"	"Cn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	4	4	261066	"68452380"
"92941"	"92941"	"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione"	"Cn1c2ccccc2c3ccc4C(=O)c5ccccc5C(=O)c4c13"	0	""	""	1	1	261069	"21355362"
"92954"	"92954"	"ACETYLTROPHANTHIDIN"	"CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"60388"
"92988"	"92988"	"5JVO6RU58B"	"C(SSCc1ccncc1)c2ccncc2"	0	""	""	2	2	199500	"1020719"
"93033"	"93033"	"Salicylic acid, 4-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimi..."	"OC(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1O"	0	""	""	1	1	261126	"4116421"
"93077"	"93077"	"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline"	"Cc1c(c(C)c(c(Nc2c(c(C)c(c(C)c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	261155	"5369244"
"93131"	"93131"	"helenin"	"C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12"	0	""	""	1	1	72724	"546430"
"93132"	"93132"	"agroclavin"	"CN1CC(=CC2C1Cc3c[nH]c4cccc2c34)C"	0	NA	NA	2	1	NA	"548425"
"93134"	"93134"	"hellebrin"	"CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C6=COC(=O)C=C6)C(O)C(O)C1OC7OC(CO)C(O)C(O)C7O"	0	""	""	14	6	417553	"13289184"
"93135"	"93135"	"oxycanthine"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	NA	NA	1	1	NA	"548403"
"93287"	"93287"	"(E)-3-(2-Chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one"	"[O-][N+](=O)c1ccc(Cl)c(\C=C\C(=O)c2ccccc2)c1"	0	""	""	1	1	5349234	"29368410"
"93301"	"93301"	"1,3-Benzodioxol-5-yl[4-(3-methylphenyl)piperazin-1-yl]methanethione"	"Cc1cccc(c1)N2CCN(CC2)C(=S)c3ccc4OCOc4c3"	0	""	""	1	1	261316	""
"93354"	"93354"	"Androst-4-en-3-one, 11.beta.-hydroxy-17.beta.-(2-phenyl-..."	"C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2c5csc(n5)c6ccccc6"	0	""	""	2	2	261360	""
"93355"	"93355"	"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid"	"CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2c5csc(N)n5.OS(=O)(=O)c6ccc(Br)cc6"	0	""	""	1	1	261361	""
"93419"	"93419"	"steffimycin"	"COC1C(O)C(O)C(C)OC1OC2C(OC)C(C)(O)C(=O)c3cc4C(=O)c5cc(OC)cc(O)c5C(=O)c4c(O)c23"	0	NA	NA	5	1	NA	"11033344"
"93427"	"93427"	"Pyrrolo[2,1-a]isoquinoline-2-carboxamide, 3-phenyl-"	"NC(=O)c1cc2c3ccccc3ccn2c1c4ccccc4"	0	NA	NA	2	2	NA	""
"93489"	"93489"	"3-Isothiazolone"	"O=C1NSC=C1"	0	""	""	5	3	96917	"1003072"
"93674"	"93674"	"Aromoline"	"COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(Oc(c1O)c23)cc67)ccc5O)cc4"	0	NA	NA	3	2	NA	"519539"
"93734"	"93734"	"LS-103271"	"CC(N)Cc1ccc(Cl)c(Cl)c1"	0	""	""	2	1	201553	"156127"
"93737"	"93737"	"auramin"	"CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C"	0	NA	NA	1	1	NA	"2465272"
"93739"	"93739"	"Basic Fuchsin"	"Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3"	0	""	""	3	3	12447	"632995"
"93819"	"93819"	"ergenyl"	"CCCC(CCC)C(=O)O"	0	"PK:GSK3A,GSK3B"	"FDA approved"	2	1	3121	"99661"
"93866"	"93866"	"Naphtho[2,1-b]quinolizinium, 5-chloro-7-methyl- perchlorate"	"Cc1c2cc(Cl)c3ccccc3c2c[n+]4ccccc14"	0	""	""	2	2	21144372	""
"93868"	"93868"	"Naphtho[1,2-b]quinolizinium, 3,13-dimethyl- perchlorate"	"Cc1ccc2c(ccc3c[n+]4ccccc4c(C)c23)c1"	0	""	""	1	1	21144373	""
"93958"	"93958"	"meterocycle"	"O=C1NC(=O)C(=C\C=C\c2ccccc2)C(=O)N1"	0	""	""	1	1	727420	"23450499"
"93967"	"93967"	"ChemDiv3_000196"	"OC(=O)C(Cc1c[nH]cn1)N2C(=O)c3ccccc3C2=O"	0	""	""	1	1	261550	"5959795"
"94037"	"94037"	"Mikanin"	"CC12CC3OC(=O)C(=C)C3C4OC(=O)C(=C4)C5OC5C1O2"	0	""	""	2	2	5140086	"17928619"
"94600"	"94600"	"CAMPTOTHECIN"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	7	7	24360	"7689034"
"94703"	"94703"	"N-Methyl-4-[(E)-quinolin-5-yldiazenyl]aniline"	"CNc1ccc(cc1)N=Nc2cccc3ncccc23"	0	""	""	2	2	261763	""
"94739"	"94739"	"Demethyltylophorinine"	"COc1cc2c3CN4CCC[C@H]4[C@H](O)c3c5ccc(O)cc5c2cc1OC"	0	""	""	2	1	261792	""
"94743"	"94743"	"Cucurbitacin A"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C"	0	""	""	8	5	5281315	"6040193"
"94783"	"94783"	"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol"	"COc1cc(ccc1O)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)c3ccc(O)c(OC)c3"	0	""	""	1	1	261816	""
"94810"	"94810"	"N-(4-Amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide"	"Nc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c3ccccc3)c(Cl)c1"	0	""	""	1	1	261838	""
"94820"	"94820"	"2,2'-(4,4'-methylenebis(4,1-phenylene))diisoindoline-1,3..."	"O=C1N(C(=O)c2ccccc12)c3ccc(Cc4ccc(cc4)N5C(=O)c6ccccc6C5=O)cc3"	0	""	""	2	2	261847	"39673988"
"94889"	"94889"	"Gardenin"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	2	2	261859	"21187735"
"94945"	"94945"	"Questiomycin A"	"NC1=CC2=Nc3ccccc3OC2=CC1=O"	0	""	""	2	2	72725	"1916592"
"95099"	"95099"	"gitoxim"	"CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(C(O)CC67O)C8=CC(=O)OC8)C4)OC3C)OC2C"	0	NA	NA	2	2	NA	"4562361"
"95170"	"95170"	"A15655"	"NC(=O)c1ccc(cc1)c2c3ccccc3cc4c2ccc5ccccc45"	0	""	""	1	1	262000	"56164808"
"95381"	"95381"	"DNZGBFXOVKCJMO-UHFFFAOYSA-N"	"CC1Oc2cc(OC(=O)C)ccc2C=C1c3ccc(OC(=O)C)cc3"	0	""	""	1	1	262088	"10499088"
"95382"	"95382"	"Camptothecin Derivative"	"CCC1(OC(=O)C)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	"7688644"
"95397"	"95397"	"1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-"	"OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O"	0	""	""	2	2	262093	"93718833"
"95434"	"95434"	"ALBB-001166"	"O=Cc1cn(Cc2ccccc2)c3ccccc13"	0	""	""	2	2	262104	"10511510"
"95441"	"95441"	"METHYL CCNU"	"C[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	"A7"	""	11	2	NA	"13909096"
"95448"	"95448"	"1h-1,2,4-triazole, 3-(4-diazo-4h-imidazol-5-yl)-"	"[N-]=[N+]=C1N=CN=C1c2nc[nH]n2"	0	""	""	1	1	500000	""
"95466"	"95466"	"PCNU"	"ClCCN(N=O)C(=O)NC1CCC(=O)NC1=O"	0	"A7"	""	11	7	26328	"13909029"
"95570"	"95570"	""	"O=C(CCN1CC2CCC(CC2)C1)c3cccs3"	0	NA	NA	2	2	NA	"16228674"
"95580"	"95580"	"HMBA"	"CC(=O)NCCCCCCNC(=O)C"	0	""	""	10	1	3616	"3073594"
"95609"	"95609"	"tetraoxo[?]tetrone"	"O=C1CNCCCN2CCN(CCCNCC(=O)Nc3ccc(cc3)S(=O)(=O)c4ccc(NC(=O)CNCCCN5CCN(CCCNCC(=O)Nc6ccc(cc6)S(=O)(=O)c7ccc(N1)cc7)CC5)cc4)CC2"	0	""	""	2	2	262184	""
"95676"	"95676"	"3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide"	"CC1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1"	0	""	""	1	1	5351927	""
"95678"	"95678"	"3-HP"	"NC(=S)N\N=C\c1ncccc1O"	0	"Ds"	""	13	5	NA	"3814797"
"95779"	"95779"	"2-(Tosyloxy)biphenyl"	"Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3ccccc3"	0	""	""	2	2	262324	""
"96019"	"96019"	"solanine"	"CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)N2C1"	0	""	""	5	1	262500	""
"96349"	"96349"	"Coralyne chloride"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC"	0	NA	NA	1	1	NA	"38989387"
"96517"	"96517"	"3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide"	"C[N+]1(C=C(SC1=S)c2ccccc2)c3ccccc3"	0	""	""	1	1	24189815	""
"96541"	"96541"	"1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile"	"O=C(N1C(C=Cc2c1ccc3ccccc23)C#N)c4ccccc4"	0	""	""	2	2	262649	"26455958"
"96641"	"96641"	"wln: t b666 dn fnj c1 emym&z &gh"	"Cc1nc(NC(=N)N)nc2ccc3ccccc3c12"	0	""	""	1	1	200222	"1150410"
"96694"	"96694"	""	"NCCSC(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	NA	"15515589"
"96704"	"96704"	"S-tritylcysteamine"	"NCCSC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	262764	"1095858"
"96914"	"96914"	"perfluorobenzophenone"	"Fc1c(F)c(F)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F"	0	""	""	2	2	70068	"853394"
"96932"	"96932"	"3,3'-diethyl-9-methylthiacarbocyanine iodide"	"CCN1\C(=C\C(=C\c2sc3ccccc3[n+]2CC)\C)\Sc4ccccc14"	0	NA	NA	1	1	NA	"3065790"
"96996"	"96996"	"piriqualone"	"Cc1ccccc1N2C(=Nc3ccccc3C2=O)\C=C\c4ccccn4"	0	NA	NA	1	1	NA	"1897898"
"97338"	"97338"	"isotetrandrine"	"COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34"	0	NA	NA	1	1	NA	"477576"
"97345"	"97345"	"2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation"	"OC(=O)C[N+]12CC[N+]3(CC(=O)O)CC(=O)O[Hg]13OC(=O)C2"	0	""	""	2	2	16683706	""
"97371"	"97371"	"tri-p-tolylphosphine"	"Cc1ccc(cc1)P(c2ccc(C)cc2)c3ccc(C)cc3"	0	""	""	1	1	13956	"1038955"
"97372"	"97372"	"(Ethylmethyl)octadecylsulfonium iodide"	"CCCCCCCCCCCCCCCCCC[S+](C)CC"	0	""	""	1	1	207332	"29676504"
"97374"	"97374"	"Diethylcyanine"	"CCN1\C(=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	""	""	2	2	5717105	"2402428"
"97388"	"97388"	"Silver benzoate"	"[Ag+].OC(=O)c1ccccc1"	0	""	""	2	2	6712949	"532310"
"97419"	"97419"	"progallin o"	"CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1"	0	""	""	2	2	61253	"1034011"
"97845"	"97845"	"(16E)-16-Hydroxyimino-13-methyl-3-(2-methylprop-2-enoxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"CC(=C)COc1ccc2C3CCC4(C)C(C\C(=N/O)\C4=O)C3CCc2c1"	0	""	""	2	1	6414726	""
"97882"	"97882"	""	"COc1ccc(C[N+](C)(C)N)cc1OC"	0	NA	NA	2	1	NA	""
"97885"	"97885"	""	"C\C(=N/[N+](C)(C)C)\c1ccc(C)c(C)c1"	0	NA	NA	2	1	NA	""
"97960"	"97960"	"2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one"	"CC1=CC(=O)N\C(=N\N=C\c2cc(Br)ccc2O)\N1"	0	""	""	1	1	135458781	""
"97967"	"97967"	"Benzaldehyde, 2-hydroxy-, (1,4-dihydro-6-methyl-4-oxo-2-..."	"CC1=CC(=O)N\C(=N\N=C\c2ccccc2O)\N1"	0	NA	NA	1	1	NA	"66680033"
"98363"	"98363"	"Ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate"	"CCOC(=O)\C(=C\1/SS\C(=C(\C#N)/C(=O)OCC)\S1)\C#N"	0	""	""	1	1	3003822	"2631938"
"98481"	"98481"	"4LTV4EUB33"	"N#CC1(C#N)C2(CCCCCC2)C1(C#N)C#N"	0	""	""	2	2	263806	"93086954"
"98535"	"98535"	"Aminoanfol"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)cnc2n1"	0	NA	NA	2	2	NA	"25312316"
"98572"	"98572"	".beta.-Resorcylaldehyde, 2-pyridylhydrazone"	"Oc1ccc(\C=N\N=C/2\NC=CC=C2)c(O)c1"	0	""	""	1	1	135509512	"50286856"
"98573"	"98573"	"2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone"	"Oc1ccc2ccccc2c1\C=N\N=C\3/NC=CC=C3"	0	""	""	2	2	135400277	"10335601"
"98579"	"98579"	"Bromochloromethotrexate"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(Cl)cc(cc3Br)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	NA	"6914121"
"98580"	"98580"	"Monobromomethotrexate"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3Br)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	NA	"13082832"
"98710"	"98710"	"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine"	"Nc1nc(N)c(N=Nc2ccccc2)c(n1)c3ccccc3"	0	""	""	1	1	263983	"13491719"
"98828"	"98828"	"1-((2-Pyridinylmethyl)thio)acetone"	"CC(=O)CSCc1ccccn1"	0	""	""	1	1	264035	""
"98883"	"98883"	"Thiazolo[3,2-f]phenanthridinium, 2-methyl- perchlorate"	"Cc1c[n+]2c3ccccc3c4ccccc4c2s1"	0	""	""	2	2	21144387	""
"98892"	"98892"	"STK973247"	"Cc1cc(SCC(=O)c2ccccc2)nc3ccccc13"	0	""	""	1	1	264064	"13896861"
"98904"	"98904"	"Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate"	"c1ccc(cc1)c2csc3c4ccccc4c5ccccc5[n+]23"	0	""	""	2	2	5351215	"13896996"
"98905"	"98905"	"2-(phenanthridin-6-ylthio)-1-phenylethanone"	"O=C(CSc1nc2ccccc2c3ccccc13)c4ccccc4"	0	""	""	1	1	264067	"13896974"
"98923"	"98923"	"N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide"	"O=C(NNC(=S)Nc1ccccc1)c2ccccn2"	0	""	""	1	1	5380527	"60838166"
"98938"	"98938"	"(1E,4E)-1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one"	"COc1ccccc1\C=C\C(=O)\C=C\c2ccccc2O"	0	""	""	2	2	6284052	""
"99016"	"99016"	"CALYCANTHINE"	"CN1CCC23C4Nc5ccccc5C2(CCN4C)C1Nc6ccccc36"	0	NA	NA	4	1	NA	"595051"
"99027"	"99027"	"NCIMech_000601"	"BrCc1ccc2C=CC(=O)Oc2c1"	0	""	""	1	1	264119	"53878129"
"99060"	"99060"	"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine"	"BrP(NC1CCCCCC1)(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	264143	"30866865"
"99087"	"99087"	"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate"	"CCOC(=O)C(CO)C1=NC2=C(NC1=O)C(=O)N(C)C(=O)N2C"	0	""	""	1	1	264162	""
"99148"	"99148"	"E0P23WVX51"	"O=[Sn](C1CCCCC1)C2CCCCC2"	0	""	""	2	2	31510	"22771171"
"99282"	"99282"	"Rubradirin"	"COC1C(C)OC(CC1(C)[N+](=O)[O-])Oc2cc(nc(C(=O)OC3C(C)\C=C(/C)\C(=O)c4c(O)c(C)cc5C(=O)C6=C(OC(C)(CN6)C(=O)C3O)C(=O)c45)c2O)C(=O)NC7=C(O)c8ccc(OC)cc8OC7=O"	0	""	""	1	1	54711001	"11031382"
"99296"	"99296"	"Tetramethylammonium bis[decahydro-C- phenyldicarbaundeca..."	"[Fe+2].[R]c1ccccc1.[R]c2ccccc2.C[N+](C)(C)C.[RH].[RH]"	0	NA	NA	1	1	NA	""
"99300"	"99300"	""	"CCCCc1cc(O)ccc1O"	0	NA	NA	1	1	NA	"4197697"
"99303"	"99303"	"DA-28952"	"Oc1ccc(O)c(Cc2ccccc2)c1"	0	""	""	1	1	74354	"1706736"
"99310"	"99310"	"Hydroquinone, octyl-"	"CCCCCCCCc1cc(O)ccc1O"	0	NA	NA	1	1	NA	"1706690"
"99445"	"99445"	"cytosine arabinoside monophosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)O)C(O)C2O"	0	NA	NA	2	2	NA	"7075118"
"99515"	"99515"	""	"N=C(c1ccc2ccccc2c1)c3ccccc3Cc4ccccc4"	0	NA	NA	1	1	NA	""
"99543"	"99543"	"(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride"	"Cc1cc(C)cc(c1)C(=N)c2ccccc2Cc3cccc4ccccc34"	0	""	""	1	1	5351940	""
"99671"	"99671"	"2-[2-[(1,3-Dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione"	"CN1C(=O)N(C)c2nc(SCCN3C(=O)c4ccccc4C3=O)[nH]c2C1=S"	0	""	""	1	1	3246362	"6493001"
"99676"	"99676"	"1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one"	"CN1C(=O)N(C)c2nc(SCCCc3ccccc3)[nH]c2C1=S"	0	""	""	1	1	3246363	"6493023"
"99733"	"99733"	"reumycin"	"CN1C(=O)N=C2NN=CN=C2C1=O"	0	""	""	4	2	5351216	"5016182"
"99843"	"99843"	"vengicide"	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N"	0	NA	NA	2	2	NA	"606586"
"100045"	"100045"	"saponin p"	"[R]OC1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)[C@@H](OC(=O)\C=C/C=C\C(C)CC)[C@H](OC(=O)C)[C@@]5(CC[C@@]34C)C(=O)O)C1(C)C"	0	NA	NA	4	2	NA	""
"100046"	"100046"	"Elephantopin"	"CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]4OC(=O)C(=C)[C@H]14)OC2=O"	0	NA	NA	4	3	NA	"13017113"
"100058"	"100058"	"jilkon"	"COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24"	0	NA	NA	4	1	NA	"357700"
"100071"	"100071"	"Haloprogin"	"Clc1cc(Cl)c(OCC#CI)cc1Cl"	0	""	""	1	1	3561	"777117"
"100279"	"100279"	"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine"	"CN(C)c1ncnc2c1ccn2C3OC(CO)C(O)C3O"	0	""	""	2	2	264884	"20371000"
"100290"	"100290"	"aklavin"	"CC[C@]1(O)CC(OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4cc3[C@@H]1C(=O)OC"	0	NA	NA	2	2	NA	""
"100434"	"100434"	"3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phe..."	"C\C(=N/c1ccccc1)\C2=C(O)C(Cc3ccc(O)cc3)NC2=O"	0	""	""	2	2	135500557	""
"100445"	"100445"	"TN 16"	"C\C(=N/c1ccccc1)\C2=C(O)C(Cc3ccccc3)NC2=O"	0	NA	NA	2	2	NA	""
"100723"	"100723"	"(o-Chlorophenyl)hydrazizne hydrochloride"	"NNc1ccccc1Cl"	0	""	""	1	1	443287	"41052759"
"100737"	"100737"	""	"Clc1ccc(cc1)C(=O)CSC#N"	0	NA	NA	2	2	NA	"19339594"
"100770"	"100770"	"Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-4-[[[4-[2-(..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(Cc4ccccc4)n3)N(CCCl)CCCl"	0	""	""	2	2	24190089	"19749634"
"100777"	"100777"	"4-Penten-1-ol, 4-nitro-5-(9-phenanthryl)-, acetate"	"CC(=O)OCCC\C(=C\c1cc2ccccc2c3ccccc13)\[N+](=O)[O-]"	0	""	""	2	1	5380575	"19889624"
"100844"	"100844"	"saramycetin"	""	0	NA	NA	1	1	NA	""
"100856"	"100856"	""	"NC1=NC(=O)C(=C(N1)c2ccccc2)CCCOc3ccc(N)cc3"	0	NA	NA	1	1	NA	"14937587"
"100880"	"100880"	"Camptothecin"	"CC[C@](O)(C(=O)O)C1=C(CO)C(=O)N2Cc3cc4ccccc4nc3C2=C1"	0	"TOP1"	"FDA approved"	8	6	NA	"25387671"
"101003"	"101003"	"2-Hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one"	"NNC1=CC=CC(=CC1=O)\C=C\c2ccccc2"	0	""	""	1	1	6267649	"78463419"
"101088"	"101088"	"Withaferin A"	"C[C@H]([C@H]1CC(=C(CO)C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	NA	NA	3	2	NA	"5119482"
"101319"	"101319"	"[(E)-[(1E)-1-(Carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea"	"COCCOC(C)\C(=N\NC(=S)N)\C=N\NC(=S)N"	0	""	""	2	2	9614290	"2447054"
"101489"	"101489"	"Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybe..."	"COc1cc(ccc1\C=N\NC(=O)c2cccnc2)N(CCCl)CCCl"	0	""	""	1	1	5977454	"16230812"
"101490"	"101490"	"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide"	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2cccnc2)c(Cl)c1"	0	""	""	3	3	6252761	"16183725"
"101492"	"101492"	"Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylid..."	"OC(=O)c1ccccc1\N=C\c2ccc(cc2)N(CCCl)CCCl"	0	""	""	2	1	265452	"18471766"
"101643"	"101643"	"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione"	"CC(C)(Cl)CCC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	265521	""
"102004"	"102004"	"catharanthine hcl"	"CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC"	0	""	""	4	1	418553	""
"102049"	"102049"	"3-Hydroxy-3',4',5,7-tetramethoxyflavone"	"COc1cc(OC)c2C(=O)C(=C(Oc2c1)c3ccc(OC)c(OC)c3)O"	0	""	""	2	1	97142	"1244786"
"102051"	"102051"	"9B35R9JIHA"	"COc1ccc(cc1OC)C2=C(O)C(=O)c3ccccc3O2"	0	""	""	1	1	97143	"6889801"
"102057"	"102057"	"F9J53MVN3M"	"COc1ccc2C(=O)C(=C(Oc2c1)c3ccc(OC)c(OC)c3)O"	0	""	""	1	1	265724	"58544904"
"102064"	"102064"	"UPC5E8CVE7"	"O=C1OC2=C(C(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	265728	"5651605"
"102067"	"102067"	"6H-Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl-"	"CN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	265730	"5291189"
"102068"	"102068"	"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione"	"Nc1ccccc1N2C(=O)c3ccccc3C4=C2c5ccccc5C4=O"	0	""	""	1	1	265731	"15315181"
"102225"	"102225"	"(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile"	"O\N=C/1\C=C\C(=C(\C#N)/c2ccc(Cl)cc2)\C=C1Cl"	0	""	""	1	1	5715133	"842137"
"102378"	"102378"	"[(E)-(1,2,3,4-Tetrafluorofluoren-9-ylidene)amino]thiourea"	"NC(=S)N\N=C\1/c2ccccc2c3c(F)c(F)c(F)c(F)c13"	0	""	""	2	2	5380664	""
"102622"	"102622"	"Solanocapsin"	"C[C@H]1CN[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](N)CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@]2(O)C1"	0	""	""	1	1	73419	"639861"
"102627"	"102627"	"Yoshi 864"	"CS(=O)(=O)OCCCNCCCOS(=O)(=O)C"	0	"A7"	""	11	7	NA	"3458228"
"102742"	"102742"	"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione"	"ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c4ccccc4C1=O"	0	""	""	1	1	265940	"22295472"
"102809"	"102809"	"matamycin"	"COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)c3csc(\C=N\O)n3"	0	NA	NA	1	1	NA	"12656405"
"102810"	"102810"	"u-22265"	"O=CC(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(=O)c6ccccc6"	0	""	""	1	1	265952	"13090772"
"102811"	"102811"	"Formycin A"	"Nc1ncnc2c(n[nH]c12)C3OC(CO)C(O)C3O"	0	NA	NA	5	4	NA	"6742127"
"102813"	"102813"	".beta.-Rhodomycin"	"CCC1CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1O.CC5OC(O)CCC5O.CC6OC(O)CC(C6O)N(C)C"	0	""	""	2	1	418587	""
"102814"	"102814"	"U 20043"	"OC(COC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)CC4SCCS4"	0	""	""	1	1	265955	""
"102815"	"102815"	"daunomycin compound d"	"CO[C@H]1C[C@@](C)(O)[C@H](C(=O)OC)c2cc3C(=O)c4c5O[C@H]6O[C@@](C)([C@H](O)[C@H]([C@@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12"	0	NA	NA	3	2	NA	""
"102816"	"102816"	"AZACITIDINE"	"NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O"	0	"DNMT"	"FDA approved"	19	9	NA	"320672"
"102817"	"102817"	"Elephantin"	"CC(=CC(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@H]14)OC2=O)C"	0	NA	NA	4	2	NA	"21899503"
"102866"	"102866"	"Aspergillin"	"CN1C(=O)C23CC4=CC=CC(O)C4N2C(=O)C1(CO)SS3"	0	NA	NA	2	2	NA	"67992"
"103005"	"103005"	"noracronine"	"CN1c2ccccc2C(=O)c3c(O)cc4OC(C)(C)C=Cc4c13"	0	""	""	4	1	5320199	"13161790"
"103073"	"103073"	"o-Tolualdehyde, 4-[bis(2-chloroethyl)amino]-5-ethoxy-, (..."	"CCOc1cc(\C=N\N=C/2\NN=C(C)N2N)c(C)cc1N(CCCl)CCCl"	0	""	""	2	2	54601300	""
"103231"	"103231"	"DXNLDBASBALMSX-UHFFFAOYSA-N"	"[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Oc2ccccc2"	0	""	""	1	1	266121	"43001576"
"103336"	"103336"	"Menoctone"	"OC1=C(CCCCCCCCC2CCCCC2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	26738	"14561423"
"103508"	"103508"	"1,3-Propanediamine, N,N'-bis[p-[bis(2-chloroethyl)amino]..."	"ClCCN(CCCl)c1ccc(CNCCCNCc2ccc(cc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	24190229	""
"103517"	"103517"	"(8E)-8-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one"	"Brc1cc2OCOc2cc1\C=C/3\C(=O)Nc4ccc5OCOc5c34"	0	""	""	2	1	54606088	""
"103704"	"103704"	""	"OC1CC(OC1C(=O)O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	5	5	NA	"65732447"
"103752"	"103752"	"STL194061"	"NC(=S)N\N=C\C(=O)O"	0	""	""	1	1	6864590	"928745"
"103755"	"103755"	""	"COC1C=CC2=C3Cc4cc5OCOc5cc4C3[N+](=CC2=C1OC)C.O[N+](=O)O"	0	NA	NA	1	1	NA	"16504146"
"103779"	"103779"	"gallocyanin"	"CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O"	0	NA	NA	1	1	NA	"1562852"
"103832"	"103832"	"3-[(E)-[[4-[(2E)-2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol"	"Oc1cccc(\C=N\N=C/2\NN\C(=N\N=C\c3cccc(O)c3)\c4ccccc24)c1"	0	""	""	1	1	9568401	"27703975"
"103870"	"103870"	"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone"	"O=C(C1C(C(N(C1c2ccccc2)c3ccccc3)c4ccccc4)C(=O)c5ccccc5)c6ccccc6"	0	""	""	1	1	266393	""
"104129"	"104129"	"s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)buty..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)cc3Cl)cc2"	0	NA	NA	1	1	NA	"15986251"
"104133"	"104133"	"5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine"	"Nc1nc(N)c(c(\C=C\c2ccc(cc2)[N+](=O)[O-])n1)c3ccc(Cl)cc3"	0	""	""	1	1	5474909	"17005300"
"104795"	"104795"	"Cyclamin"	"CC1(CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC%10OCC(O)C(O)C%10O)C(O)C7OC%11OC(CO)C(O)C(O)C%11O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1)C=O"	0	NA	NA	1	1	NA	"23643767"
"104800"	"104800"	"Mitozolomide"	"OC(CBr)C(O)C(O)C(O)CBr"	0	"A7"	""	2	1	NA	"10318260"
"104801"	"104801"	"cytembena"	"COc1ccc(cc1)C(=O)\C(=C\C(=O)O)\Br"	0	NA	NA	15	10	NA	"2126707"
"104942"	"104942"	"Euparotin"	"C\C=C(\C)/C(=O)OC1CC2(CO2)C3C(O)C=C(C)C3(O)C4OC(=O)C(=C)C14"	0	""	""	1	1	5380731	"10191012"
"104943"	"104943"	"Euparotin acetate"	"C\C=C(\C)/C(=O)O[C@@H]1C[C@]2(CO2)[C@@H]3[C@H](OC(=O)C)C=C(C)[C@]3(O)[C@H]4OC(=O)C(=C)[C@H]14"	0	""	""	2	2	5281456	""
"104960"	"104960"	"[(E)-(3-Ethoxypyridin-2-yl)methylideneamino]thiourea"	"CCOc1cccnc1\C=N\NC(=S)N"	0	""	""	1	1	9562139	"6839925"
"105014"	"105014"	"Cladribine"	"Nc1nc(Cl)nc2c1ncn2C3CC(O)C(CO)O3"	0	"Ds|ADA"	"FDA approved"	6	5	NA	"4291638"
"105023"	"105023"	"rubiflavin"	""	0	""	""	2	1	6450217	""
"105024"	"105024"	"Mithramycin"	""	0	"Db|Rs"	"FDA approved"	1	1	NA	""
"105131"	"105131"	"Pycnamine"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	NA	""
"105132"	"105132"	"Deoxycamptothecin"	"CCC1C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	266552	""
"105307"	"105307"	"ANM102934"	"COc1cc(\C=C\[N+](=O)[O-])c(cc1OC)[N+](=O)[O-]"	0	""	""	1	1	5705391	"16551841"
"105348"	"105348"	"2-(2-Chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone"	"COc1cc(Cl)c(CC(=O)c2c[nH]c3ccccc23)cc1OC"	0	""	""	2	2	266625	"7000477"
"105444"	"105444"	"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile"	"N#CC1(CCCC1)Nc2ccc(cc2)c3ccc(NC4(CCCC4)C#N)cc3"	0	""	""	1	1	266698	""
"105509"	"105509"	"6-Bromochroman-2-one"	"Brc1ccc2OC(=O)CCc2c1"	0	""	""	1	1	266737	"20921000"
"105546"	"105546"	"riboprine(usan)"	"CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C"	0	NA	NA	2	2	NA	"7724767"
"105550"	"105550"	"4-Nitro-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione"	"[O-][N+](=O)c1cccc2C(=O)N(C(=O)c12)c3nc[nH]n3"	0	""	""	1	1	266770	""
"105808"	"105808"	"5,8-Quinolinedione, 6-amino-7-bromo-"	"NC1=C(Br)C(=O)c2ncccc2C1=O"	0	""	""	3	2	266923	"14173810"
"105827"	"105827"	"thiosangivamycin"	"NC(=S)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	2	2	NA	"22242906"
"105900"	"105900"	"4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid"	"OC(=O)CCC(=O)c1ccc2sc3ccccc3c2c1"	0	""	""	1	1	266944	"88878799"
"106139"	"106139"	"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide"	"Oc1ccc(Cl)cc1\C=N\NC(=O)CCCC(=O)N\N=C\c2cc(Cl)ccc2O"	0	""	""	1	1	135509602	""
"106193"	"106193"	"Fusarubin"	"COc1cc(O)c2C(=O)C3=C(CC(C)(O)OC3)C(=O)c2c1O"	0	""	""	2	2	73421	"1702778"
"106246"	"106246"	"1-Methyl-3-[(Z)-2-nitroethenyl]indole"	"Cn1cc(\C=C/[N+](=O)[O-])c2ccccc12"	0	""	""	1	1	1551121	"2731002"
"106360"	"106360"	"N-(1,3,7-Tribromo-9H-fluoren-2-yl)acetamide"	"CC(=O)Nc1c(Br)cc2c(Cc3cc(Br)ccc23)c1Br"	0	""	""	1	1	267219	""
"106399"	"106399"	"cucurbitacin e"	"CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	21	15	NA	"18444661"
"106408"	"106408"	"Anthramycin methyl ether"	"CO[C@H]1Nc2c(O)c(C)ccc2C(=O)N3C=C(C[C@@H]13)\C=C\C(=O)N"	0	""	""	6	2	5351221	"5544252"
"106442"	"106442"	"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione"	"CC1COCC(C)N1C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	267286	"22359315"
"106445"	"106445"	"2-Chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione"	"ClC1=C(N\N=C/2\NN\C(=N\NC3=C(Cl)C(=O)c4ccccc4C3=O)\c5ccccc25)C(=O)c6ccccc6C1=O"	0	""	""	1	1	135509607	"22295507"
"106461"	"106461"	"2,5-Dipyridin-2-yl-1,3,4-thiadiazole"	"c1ccc(nc1)c2nnc(s2)c3ccccn3"	0	""	""	1	1	267294	"2726923"
"106486"	"106486"	"laurusin"	"OCC1OC(C(O)C1O)c2n[nH]c3C(=O)N=CNc23"	0	NA	NA	1	1	NA	"13877764"
"106531"	"106531"	"Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso..."	"ClCCN(N=O)C(=O)Nc1ccc(Cl)c(Cl)c1"	0	""	""	2	1	267343	"15145423"
"106553"	"106553"	"sapindoside a"	"CC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CCC56C)C(=O)O)C3(C)CO)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"27013918"
"106554"	"106554"	"Musennin"	"CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OCC(O)C(O)C7OC8OCC(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C5CCC34C)C2C1)C(=O)O"	0	""	""	1	1	267361	"25480744"
"106557"	"106557"	"5.alpha.,25D-Spirostan-3.beta.-ol glycoside"	""	0	NA	NA	1	1	NA	""
"106640"	"106640"	"(3-Nitrophenyl)(phenyl)iodanium bromide"	"[O-][N+](=O)c1cccc([I+]c2ccccc2)c1"	0	""	""	1	1	24190300	"23351895"
"106648"	"106648"	"Bis(2-methoxy-5-nitrophenyl)iodanium;bromide"	"COc1ccc(cc1[I+]c2cc(ccc2OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	24190303	""
"106677"	"106677"	"senecionine n-oxide"	"C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23"	0	NA	NA	1	1	NA	"13268672"
"106723"	"106723"	"STK032801"	"Oc1ccccc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3"	0	""	""	1	1	135509615	"78486370"
"106859"	"106859"	"4-Penten-1-ol, 5-(2-naphthalenyl)-4-nitro-, acetate (est..."	"CC(=O)OCCC\C(=C/c1ccc2ccccc2c1)\[N+](=O)[O-]"	0	""	""	1	1	5380900	"19893711"
"106907"	"106907"	"LS-158973"	"BrCCN(CCBr)C(=O)Nc1cccc2ccccc12"	0	""	""	1	1	267555	""
"106909"	"106909"	"Estra-1,3,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-..."	"C[C@]12CC[C@H]3[C@@H](CCc4cc(Oc5nc(nc(n5)N6CC6)N7CC7)ccc34)[C@@H]1CCC2=O"	0	""	""	1	1	267557	"22966821"
"106969"	"106969"	"Centaureidin"	"COC1=C(Oc2cc(O)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	1	1	5315773	"17313529"
"106995"	"106995"	"lomofungin"	"COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"	0	NA	NA	2	2	NA	"26786845"
"107043"	"107043"	"A817740"	"COc1ccc(NC2=CC(=O)C(=O)c3ccccc23)nn1"	0	""	""	1	1	267581	"25107704"
"107067"	"107067"	"Tirandamycin"	"C[C@H](\C=C(/C)\C=C\C(=C/1\C(=O)CNC1=O)\O)[C@H]2O[C@@]3(C)O[C@@H]([C@@H]2C)C(=O)[C@@H]4O[C@]34C"	0	NA	NA	1	1	NA	"34429704"
"107124"	"107124"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(O)ccc5nc34)C2=O"	0	"TOP1"	""	9	8	97226	"19685097"
"107129"	"107129"	"3-Hydroxycard-20(22)-enolide"	"CC12CCC(O)CC1CCC3C4CCC(C5=CC(=O)OC5)C4(C)CCC23"	0	""	""	2	2	267603	"5672231"
"107237"	"107237"	"10-(1-Benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid"	"Clc1ccc2Sc3ccccc3N(C4CCCN(Cc5ccccc5)C4)c2c1"	0	""	""	1	1	5380916	""
"107392"	"107392"	"5-HP"	"NC(=S)N\N=C\c1ccc(O)cn1"	0	"Ds"	""	11	7	135453292	"19494894"
"107413"	"107413"	"Securinin"	"O=C1OC23CC(C=CC2=C1)N4CCCCC34"	0	NA	NA	1	1	NA	"5610402"
"107432"	"107432"	"solypertine tartrate(usan)"	"COc1ccccc1N2CCN(CCc3c[nH]c4cc5OCOc5cc34)CC2"	0	NA	NA	1	1	NA	"5591435"
"107512"	"107512"	"7h-pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-amino-7..."	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C(=N)NO"	0	""	""	2	1	5369182	"22242893"
"107529"	"107529"	"pararosaniline pamoate"	"Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O"	0	""	""	2	2	24040	"49722318"
"107658"	"107658"	"Cytochalasin B"	"C[C@@H]1CCC[C@@H](O)\C=C\C(=O)O[C@]23[C@@H](\C=C\C1)[C@H](O)C(=C)[C@@H](C)[C@H]2[C@H](Cc4ccccc4)NC3=O"	0	NA	NA	12	12	NA	"14930962"
"107660"	"107660"	"Actinomycin Pip T.beta."	"[R]C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C.[R]C(=O)NC3C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C4CCCCN4C(=O)C(NC3=O)C(C)C.CC5=C6Oc7c(C)cccc7N=C6C=C(N)C5=O"	0	""	""	2	1	5458205	""
"107680"	"107680"	"Flumethasone Pivalate"	"CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C"	0	NA	NA	1	1	NA	"2002291"
"107818"	"107818"	"[(Z)-(2,6-Dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate"	"[O-][N+](=O)c1ccc(Cl)c(\C=N\OC(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl"	0	""	""	1	1	54604080	"92167561"
"108018"	"108018"	"14-Chelidoninone"	"CN1C2C(C(O)Cc3cc4OCOc4cc23)c5ccc6OCOc6c5C1=O"	0	""	""	1	1	268004	""
"108165"	"108165"	"navan"	"CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C/CCN4CCN(C)CC4)\c2c1"	0	NA	NA	2	1	NA	"5591457"
"108225"	"108225"	"Epitope ID:167836"	"CN(C)CCSS(=O)(=O)O"	0	""	""	1	1	97248	"14013300"
"108608"	"108608"	"AK550028"	"NCC1OC(C(O)C1O)n2cnc3C(=O)NC(=Nc23)N"	0	""	""	2	1	135451589	"4099847"
"109072"	"109072"	"3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(c2C(=O)O1)[N+](=O)[O-]"	0	""	""	2	2	16683294	"23535877"
"109084"	"109084"	"2-[2-(Aziridin-1-yl)ethoxy]quinoline"	"C(CN1CC1)Oc2ccc3ccccc3n2"	0	""	""	1	1	268715	""
"109128"	"109128"	"16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate"	"CC(=O)OC1CCC2(C)C(CCC3C4CC(C(C(=O)C)C4(C)C(=O)CC23)N5CC5)C1"	0	""	""	1	1	268745	"19459600"
"109131"	"109131"	"10,13-dimethyl-17-(2-(6-(methylthio)-9H-purin-9-yl)acety..."	"CSc1ncnc2c1ncn2CC(=O)C3CCC4C5CCC6=CC(=O)CCC6(C)C5CCC34C"	0	""	""	2	1	268748	"21170274"
"109154"	"109154"	"(E)-1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one"	"O=C(\C(=C/c1ccccc1)\CN2CCCCC2)c3ccccc3"	0	""	""	2	2	6147837	"7204446"
"109155"	"109155"	"2-[(Tert-butylamino)(phenyl)methyl]-1-phenylprop-2-en-1-one"	"CC(C)(C)NC(C(=C)C(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	268761	"7204424"
"109156"	"109156"	""	"CC(C)(C)NC\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	NA	NA	1	1	NA	"7204435"
"109188"	"109188"	"4-Aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid"	"Nc1ccc(cc1)C(=O)O.Nc2nc(N)c3[nH]cnc3n2.OS(=O)(=O)O"	0	""	""	1	1	3246385	""
"109229"	"109229"	"Asparaginase"	""	0	"AM|Pi"	"FDA approved"	97	80	NA	"9015683"
"109248"	"109248"	"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone"	"CC(=O)c1ccc(O)c(CN(C2CCCCC2)C3CCCCC3)c1O"	0	""	""	1	1	268806	""
"109254"	"109254"	"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine"	"CC(C)(C)CC(C)(C)N(CSc1ccc(Cl)cc1)CSc2ccc(Cl)cc2"	0	""	""	1	1	268812	"67857765"
"109292"	"109292"	""	"CC#CC#CC1=CC=CC(=O)O1"	0	NA	NA	1	1	NA	"20851325"
"109351"	"109351"	"daunomycinon"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(O)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	6	2	NA	"21794558"
"109440"	"109440"	"Theasapogenol A"	"CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O"	0	NA	NA	2	1	NA	"13844229"
"109451"	"109451"	"2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline"	"Cc1cc(Cl)nc2ccc(Cc3ccc4nc(Cl)cc(C)c4c3)cc12"	0	""	""	1	1	268954	""
"109509"	"109509"	"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol"	"CC(NCCN(C)C)C1CCC2C3CCc4cc(O)ccc4C3CCC12C"	0	""	""	2	1	268993	"72377"
"109555"	"109555"	"ddug"	"C\C(=N\NC(=N)N)\c1ccc(NC(=O)Nc2ccc(cc2)\C(=N\NC(=N)N)\C)cc1"	0	NA	NA	2	2	NA	"15427937"
"109593"	"109593"	"3-((1,3-Benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one"	"O=C1Oc2cc(ccc2c3ccccc13)\N=C\c4ccc5OCOc5c4"	0	""	""	1	1	269048	""
"109724"	"109724"	"Ifosfamide"	"ClCCNP1(=O)OCCCN1CCCl"	0	"A7|AlkAg"	"FDA approved"	49	3	NA	"3778732"
"109825"	"109825"	""	"NC1(CSSC1)C(=O)O"	0	NA	NA	1	1	NA	"32418976"
"109834"	"109834"	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCc3cccc(N)c3)c2"	0	NA	NA	2	2	NA	""
"109836"	"109836"	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCc3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	2	2	NA	"19157994"
"109838"	"109838"	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(\C=C\C=C\c3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	1	1	NA	"19157916"
"109874"	"109874"	"Benzimate"	"COC(=O)Nc1nc2ccccc2[nH]1"	0	"TUBB"	"Clinical trial"	2	2	25429	"10605217"
"110101"	"110101"	"2-(Dodecylsulfanyl)-1,4-benzoquinone"	"CCCCCCCCCCCCSC1=CC(=O)C=CC1=O"	0	""	""	2	2	269320	"55034758"
"110275"	"110275"	"9205AB"	"Cc1nc(N)nc2ccccc12"	0	""	""	2	1	269325	"6141022"
"110363"	"110363"	"2,4-dichlorobenzyltriphenylphosphonium chloride"	"Clc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(Cl)c1"	0	NA	NA	1	1	NA	"2492231"
"110383"	"110383"	"Naphtho[1,2-c]quinolizinium, 13-methyl-, chloride"	"Cc1cc2c3ccccc3ccc2[n+]4ccccc14"	0	""	""	2	2	21144417	""
"110407"	"110407"	"Nitromifene citrate"	"COc1ccc(cc1)\C(=C(/c2ccccc2)\[N+](=O)[O-])\c3ccc(OCCN4CCCC4)cc3"	0	NA	NA	2	2	NA	"5863354"
"110602"	"110602"	"Phosphonium, triphenyl-1,2-propadienyl-, bromide (9CI)"	"C=C=C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"54599994"
"110609"	"110609"	"Allyltriphenylphosphonium bromide"	"C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"1560549"
"110630"	"110630"	"N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]pentanamide"	"CCCCC(=O)N\N=C\c1c(O)ccc2ccccc12"	0	""	""	2	2	135509648	""
"110800"	"110800"	"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-"	"ClCCN(N=O)C(=O)NC1CCSc2ccccc12"	0	""	""	2	1	98351	"33022036"
"111041"	"111041"	"2,8(1H,5H)-Quinolinedione,7-amino-5-imino-"	"NC1=CC(=N)C2=C(NC(=O)C=C2)C1=O"	0	""	""	1	1	269624	""
"111062"	"111062"	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCCOc3cccc(c3)[N+](=O)[O-])c2"	0	NA	NA	2	2	NA	"19157938"
"111118"	"111118"	"Bis(4-chlorophenyl) carbonotrithioate"	"Clc1ccc(SC(=S)Sc2ccc(Cl)cc2)cc1"	0	""	""	1	1	269665	"24455296"
"111119"	"111119"	"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-,..."	"CCOC(=O)C1=Cc2c(OC)cc(OC)cc2OC1=O"	0	""	""	1	1	269666	"82235618"
"111135"	"111135"	"4-[4-(Diethylamino)-2-methylphenyl]imino-N-(4-methylsulfonylphenyl)-1-oxonaphthalene-2-carboxamide"	"CCN(CC)c1ccc(\N=C/2\C=C(C(=O)Nc3ccc(cc3)S(=O)(=O)C)C(=O)c4ccccc24)c(C)c1"	0	""	""	1	1	269678	""
"111180"	"111180"	"Acetylcysteine"	"CC(=O)NC(CS)C(=O)O"	0	""	"FDA approved"	2	1	NA	"616911"
"111533"	"111533"	"Methoxycamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC)ccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	"19685100"
"111556"	"111556"	"Naphthalene, 2-(2-nitrovinyl)-"	"[O-][N+](=O)\C=C\c1ccc2ccccc2c1"	0	NA	NA	2	2	NA	"21461461"
"111580"	"111580"	"CBDivE_010867"	"O=C1Nc2ccccc2/C/1=N/N=C\3/NC=CC=C3"	0	""	""	1	1	269887	"20144030"
"111581"	"111581"	"indole-2,3-dione, 3-[(o-nitrophenyl)hydrazone]"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	2	2	3734796	"20096359"
"111650"	"111650"	"4-(1-Adamantylsulfonyl)aniline"	"Nc1ccc(cc1)S(=O)(=O)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	269930	"68748867"
"111654"	"111654"	"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline"	"Nc1ccc(SC23CC4CC(CC(C4)C2)C3)cc1"	0	""	""	1	1	269934	"56714886"
"111702"	"111702"	"p-Dioxane-2-methanol, 3,5-dihydroxy-6-[6-(methylthio)-9H..."	"CSc1ncnc2c1ncn2C3OC(CO)C(O)OC3O"	0	""	""	2	2	269951	"51112620"
"112125"	"112125"	"tptz (iron reagent)"	"c1ccc(nc1)c2nc(nc(n2)c3ccccn3)c4ccccn4"	0	""	""	1	1	77258	"3682357"
"112147"	"112147"	"[16-(Aziridin-1-ylmethyl)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(CN5CC5)C4=O)C3CC=C2C1"	0	""	""	2	2	270053	"10475000"
"112152"	"112152"	"Plumericin"	"COC(=O)C1=CO[C@@H]2O[C@H]3\C(=C/C)\C(=O)O[C@]34C=C[C@H]1[C@H]24"	0	NA	NA	6	3	NA	"77167"
"112166"	"112166"	"Cucurbitacin K"	"CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C"	0	NA	NA	8	4	NA	"6766434"
"112167"	"112167"	"elatericin b"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	8	4	5281321	"2222073"
"112200"	"112200"	"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione"	"CC1=C(Br)C(=O)C(=C(Br)C1=O)C.Cc2c(O)c(Br)c(C)c(O)c2Br"	0	""	""	2	2	270077	""
"112257"	"112257"	"fenakrom blue xr"	"[Na+].Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)O"	0	NA	NA	1	1	NA	"3564189"
"112535"	"112535"	"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-[2..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(OCCOc3ccc(cc3)[N+](=O)[O-])c2"	0	NA	NA	1	1	NA	"19157927"
"112751"	"112751"	"4-Chloro-2-((3-quinolinylimino)methyl)phenol"	"Oc1ccc(Cl)cc1\C=N\c2cnc3ccccc3c2"	0	""	""	2	2	270355	""
"112758"	"112758"	"Rubomycin"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	2	2	NA	""
"112796"	"112796"	"1-Benzyl-2-(benzyloxy)imidazolidine"	"C(OC1NCCN1Cc2ccccc2)c3ccccc3"	0	""	""	1	1	270389	""
"112846"	"112846"	"quinaspar"	"Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	NA	"18921658"
"112849"	"112849"	"AT-051/43422431"	"NC(=N)Nc1ccc(\C=C/2\C=Cc3ccccc23)cc1"	0	""	""	2	1	6474733	"30117705"
"112929"	"112929"	"sennoside a (8ci)"	"OCC1OC(Oc2cccc3C(C4c5cccc(OC6OC(CO)C(O)C(O)C6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"81276"
"112938"	"112938"	"4,4,4-Triphenylbutanoic acid"	"OC(=O)CCC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	1	270495	"16778099"
"112960"	"112960"	"Ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate"	"CCOC(=O)N(O)c1ccc(\C=C\c2ccccc2)cc1"	0	""	""	2	2	6304618	""
"112965"	"112965"	"BRD-K68192143-001-01-5"	"ON(C(=O)CF)c1ccc(\C=C\c2ccccc2)cc1"	0	""	""	2	2	5976008	""
"113053"	"113053"	"J3.522.543I"	"COC(=O)\C=C\C=C(c1ccccc1)c2ccccc2"	0	""	""	1	1	6163542	""
"113112"	"113112"	"Phosphinic amide, P,P-bis(2,2-dimethyl-1-aziridinyl)-N-2..."	"CC1(C)CN1P(=O)(Nc2ncccn2)N3CC3(C)C"	0	""	""	1	1	270614	""
"113130"	"113130"	"Isopropyltriphenylphosphonium bromide"	"CC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	2795292	"1530332"
"113136"	"113136"	"Mansonone F"	"CC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c23"	0	""	""	2	2	94304	"5090880"
"113220"	"113220"	"Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dime..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	270636	"19188626"
"113237"	"113237"	""	"CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4N(CCc5cc(OC)c(OC)cc45)C(=O)C(N)Cc6ccccc6"	0	NA	NA	1	1	NA	""
"113423"	"113423"	"Baker's Antifol"	"Cc1cc(NC(=O)CCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	64840	"21321039"
"113452"	"113452"	"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	"OC1=C(CCCc2ccc(cc2)C3CCCCCC3)C(=O)c4ccccc4C1=O"	0	""	""	2	2	270723	"17089144"
"113455"	"113455"	"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione"	"OC1=C(CCCc2ccc(cc2)C3CCCCC3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	270725	"18100179"
"113497"	"113497"	"Gedunin"	"CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C3CCC4(C)C(OC(=O)C5OC45C13C)c6cocc6"	0	NA	NA	1	1	NA	"2753302"
"113764"	"113764"	"U 32027"	"O=C1NC(Nc2ccccc12)c3ccccc3"	0	""	""	3	2	270800	"954916"
"113802"	"113802"	"2-(4-Chlorophenyl)-1-hydroxy-1h-indole-3-carbonitrile"	"On1c(c2ccc(Cl)cc2)c(C#N)c3ccccc13"	0	""	""	1	1	270811	""
"113908"	"113908"	"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3cccc(c3)S(=O)(=O)F)cc2"	0	""	""	1	1	270820	"19160248"
"113918"	"113918"	"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCC(=O)Nc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	270832	"19160259"
"113926"	"113926"	"rifa"	"CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c(\C=N\N5CCN(C)CC5)c(O)c4c3C2=O"	0	""	"FDA approved"	1	1	135398735	"13292461"
"113943"	"113943"	"6-Bromosangivamycin"	"NC(=O)c1c(Br)n(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	3	3	NA	"20201563"
"113951"	"113951"	"6-Bromotoyocamycin"	"Nc1ncnc2c1c(C#N)c(Br)n2C3OC(CO)C(O)C3O"	0	NA	NA	3	2	NA	"20201552"
"114016"	"114016"	"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline"	"Cc1c2CCN=Cc2c(C)c3c4CCCCc4oc13"	0	""	""	1	1	270883	"23018259"
"114340"	"114340"	"ophiobolin"	"CC1CC(OC12CCC3(C)CC4C(C(=O)CC4(C)O)\C(=C/CC23)\C=O)C=C(C)C"	0	NA	NA	2	2	NA	"4611056"
"114341"	"114341"	"Caerulomycin"	"COc1cc(\C=N/O)nc(c1)c2ccccn2"	0	""	""	2	2	135478684	"19462078"
"114345"	"114345"	"u 27744"	"COC(=O)C1c2cc3C(=O)c4c5OC6OC(C)(C(O)C(C6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c2CCC1(C)O"	0	""	""	1	1	151719	"62422008"
"114346"	"114346"	"Diethyl(acetylamino)({6-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate"	"CCOC(=O)C(Cc1c[nH]c2cc(ccc12)N(CCO)CCO)(NC(=O)C)C(=O)OCC"	0	""	""	2	1	270973	""
"114381"	"114381"	"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide"	"NS(=O)(=O)c1cc(Br)c(N=Nc2ccc(O)c3ncccc23)c(Br)c1"	0	""	""	1	1	271001	"39150442"
"114382"	"114382"	"SC-60646"	"Cc1cc(Nc2ccc(cc2)N=Nc3ccc(O)c4ncccc34)nc(C)n1"	0	""	""	2	1	419381	""
"114384"	"114384"	"4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide"	"Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)c4cccnc14"	0	""	""	2	2	419383	"29821918"
"114512"	"114512"	"Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury"	"CC(=O)O[Hg]CC1(C)COC(C)(C[Hg]OC(=O)C)CO1"	0	""	""	2	2	16683716	""
"114514"	"114514"	"4-[(2,4-Diaminopyrimidin-5-yl)methyl-methylamino]benzoic acid;hydrobromide"	"CN(Cc1cnc(N)nc1N)c2ccc(cc2)C(=O)O"	0	""	""	1	1	24190776	"20781128"
"114567"	"114567"	"Eupachlorin"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(O)C=C(C)C2(O)C3OC(=O)C(=C)C13"	0	""	""	2	2	5458217	"20071505"
"114568"	"114568"	"Eupachlorin acetate"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(OC(=O)C)C=C(C)C2(O)C3OC(=O)C(=C)C13"	0	""	""	2	2	5458218	"20501524"
"114570"	"114570"	"Eupachloroxin"	"C\C=C(/C)\C(=O)OC1CC(O)(CCl)C2C(O)C3OC3(C)C2(O)C4OC(=O)C(=C)C14"	0	""	""	1	1	5917065	"20071527"
"114572"	"114572"	"Ryanodine"	"CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C3(O)C4(C)CC5(O)OC6(C(O)C(C)CCC46O)C3(O)C15C"	0	NA	NA	2	1	NA	""
"114575"	"114575"	"Mitoclomine"	"COc1c(C)cc(N(CCCl)CCCl)c2ccccc12"	0	""	""	1	1	28694	"17692545"
"114696"	"114696"	""	"Brc1cc2c(Cc3ccccc23)cc1[N+]#N"	0	NA	NA	1	1	NA	""
"114766"	"114766"	"2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid"	"NC(=O)NC(=O)C1CCCCC1C(=O)O"	0	""	""	1	1	271298	""
"114781"	"114781"	"Pederin"	"COC[C@H](C[C@H]1O[C@@H](C[C@@H](O)C1(C)C)[C@@H](NC(=O)[C@@H](O)[C@]2(CC(=C)[C@@H](C)[C@@H](C)O2)OC)OC)OC"	0	NA	NA	2	1	NA	"27973724"
"115447"	"115447"	"1,4-diaminoanthraquinone-2,3-dicarboximide"	"Nc1c2C(=O)NC(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	2	2	67192	"128814"
"115497"	"115497"	"toxifren"	"CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C1=O)O"	0	""	""	1	1	8237	"114421"
"115526"	"115526"	"3,4-Dimethylpyrazolo[3,2-c]-as-triazine"	"Cc1nnc2ccnn2c1C"	0	""	""	1	1	271622	"6726494"
"115610"	"115610"	"[3,4,5-Triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	419515	""
"115618"	"115618"	"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one"	"[O-][N+](=O)c1ccc(CC2C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	271691	"13220445"
"115625"	"115625"	"((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid"	"NCCc1c[nH]c2ccc(OC(=O)C(=O)O)cc12"	0	""	""	1	1	271694	"319711"
"115684"	"115684"	""	"O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	1	NA	"4885578"
"115712"	"115712"	"TUBERCIDIN 3', 5'-CYCLIC PHOSPHATE SESQUIHYDRATE"	"Nc1ncnc2c1ccn2C3OC4COP(=O)(O)OC4C3O"	0	NA	NA	2	2	NA	"16719361"
"115855"	"115855"	"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol"	"Cc1ccc2ccc(C)c(C)c2c1.Oc3c(cc(c(O)c3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	271872	""
"115892"	"115892"	"Quinolin-8-ol; xanthen-9-one"	"Oc1cccc2cccnc12.O=C3c4ccccc4Oc5ccccc35"	0	""	""	1	1	271897	""
"115905"	"115905"	"euchrysin"	"Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N"	0	""	""	2	1	72769	"4215956"
"115928"	"115928"	"benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(c2)C#N"	0	""	""	1	1	271921	"70743565"
"115980"	"115980"	"N-[(E)-[2-Chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide"	"CN(C)c1ccc(\C=N\NC(=O)c2cccc3ccccc23)c(Cl)c1"	0	""	""	1	1	9568495	""
"116280"	"116280"	"7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.be..."	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3nc[n+]([O-])c(N)c13"	0	""	""	2	2	3691874	""
"116282"	"116282"	"7H-Pyrrolo[2,3-d]pyrimidine-5-carbohydroximic acid, 4-am..."	"Nc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C(=O)NO"	0	""	""	2	1	54603433	"21090426"
"116336"	"116336"	"Dehydroheliotridine"	"OCc1ccn2CC[C@H](O)c12"	0	NA	NA	1	1	NA	"26400248"
"116491"	"116491"	"12-((4-Methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine"	"CN1CCN(CC(=O)N2c3ccccc3Sc4cc5ccccc5cc24)CC1"	0	""	""	1	1	272209	"18587274"
"116535"	"116535"	"indole-2,3-dione, 3-[(pentafluorophenyl)hydrazone]"	"Fc1c(F)c(F)c(N\N=C\2/C(=O)Nc3ccccc23)c(F)c1F"	0	""	""	2	2	272247	"21231389"
"116536"	"116536"	"ARONIS002269"	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	2	2	3776068	"31107069"
"116555"	"116555"	"Nogalamycin-N-oxide"	"COC1C(C)OC(OC2CC(C)(O)C(C(=O)OC)c3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)[N+](C)(C)[O-])c6cc(O)c5C(=O)c4cc23)C(OC)C1(C)OC"	0	""	""	2	2	272259	""
"116590"	"116590"	"2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine"	"[O-][N+](=O)c1cccc(c1)C2ON2C3CCCCC3"	0	""	""	1	1	272286	"23898579"
"116640"	"116640"	"Pyrrole-3-carbonitrile, 2-(1-isoquinolyl)-5-phenyl-"	"N#Cc1cc([nH]c1c2nccc3ccccc23)c4ccccc4"	0	""	""	1	1	272334	""
"116661"	"116661"	""	"C(c1ccccc1)P(c2ccccc2)(C34C5=C6C7=C3[Fe]456789%10%11C%12C8=C9C%10=C%11%12)C%13%14C%15=C%16C%17=C%13[Fe]%14%15%16%17%18%19%20%21C%22C%18=C%19C%20=C%21%22"	0	NA	NA	1	1	NA	""
"116689"	"116689"	""	"Cc1ccc(cc1)[P+](Cc2ccc(cc2)[N+](=O)[O-])(c3ccc(C)cc3)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"116692"	"116692"	""	"Cc1ccc(cc1)[S+](c2ccccc2)c3cc(C)ccc3C"	0	NA	NA	1	1	NA	"4024117"
"116693"	"116693"	"2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium"	"Cc1ccc(cc1)[S+](c2ccccc2)c3cc(C)ccc3C.OC(=O)C(OC(=O)c4ccccc4)C(OC(=O)c5ccccc5)C(=O)[O-]"	0	""	""	2	2	5351228	""
"116702"	"116702"	"Isoquinoline, 1-(5-phenyl-4-p-tolyl-2-oxazolyl)-"	"Cc1ccc(cc1)c2nc(oc2c3ccccc3)c4nccc5ccccc45"	0	""	""	1	1	272358	""
"116716"	"116716"	""	"Cc1ccccc1[P+](Cc2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	"14479517"
"116717"	"116717"	""	"Cc1ccc(cc1)[P+](Cc2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	"13432865"
"116758"	"116758"	"7-Nitro-9H-fluorene-2-carboxylic acid"	"OC(=O)c1ccc2c(Cc3cc(ccc23)[N+](=O)[O-])c1"	0	""	""	1	1	272395	""
"116787"	"116787"	"venenatine"	"COC1C(O)C(C)OC(O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	NA	"663956"
"116789"	"116789"	"Acovenoside B"	"COC1C(O)C(C)OC(OC2CC3CCC4C(CCC5(C)C(CCC45O)C6=CC(=O)OC6)C3(O)C(C2)OC(=O)C)C1O"	0	""	""	2	2	272418	""
"116878"	"116878"	"Cardiac glycoside"	""	0	NA	NA	2	1	NA	""
"117011"	"117011"	"AG-205/37066085"	"Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)c(C)c1"	0	""	""	1	1	272555	"69085387"
"117015"	"117015"	"4-[(3-Bromophenyl)amino]naphthalene-1,2-dione"	"Brc1cccc(NC2=CC(=O)C(=O)c3ccccc23)c1"	0	""	""	1	1	272559	""
"117017"	"117017"	""	"[O-][N+](=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	NA	NA	1	1	NA	"75140055"
"117024"	"117024"	""	"Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	NA	NA	1	1	NA	"69085398"
"117028"	"117028"	"8-Quinolinol, 5-bromo-7-[(4-phenyl-1-piperazinyl)methyl]-"	"Oc1c(CN2CCN(CC2)c3ccccc3)cc(Br)c4cccnc14"	0	""	""	2	2	272568	"500363622"
"117180"	"117180"	"1.alpha.,2.alpha.-epxoyscillirosidin"	"CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)C4=COC(=O)C=C4)C5(C)C6OC6C(O)C=C15"	0	""	""	5	1	272581	"10262392"
"117181"	"117181"	"cyclopiazonic acid"	"CC(=O)C1=C(O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O"	0	NA	NA	1	1	NA	"18172333"
"117185"	"117185"	"2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide"	"C[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc4ccccc14"	0	""	""	1	1	54610240	"76384480"
"117186"	"117186"	"Acetalax"	"CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4"	0	"NonCan:Cath"	"FDA approved"	2	2	NA	"115333"
"117187"	"117187"	"Indole-2,3-dione, 5,7-dichloro-, 3-[(o-nitrophenyl) hydr..."	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	3	2	3724036	"21231345"
"117188"	"117188"	"7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3c(Cl)cccc23"	0	""	""	3	2	3755584	"21303457"
"117191"	"117191"	"AE-848/32614027"	"Cc1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	272588	"21231414"
"117192"	"117192"	"Indole-2,3-dione, 3-[(o-chlorophenyl)hydrazone]"	"Clc1ccccc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	2	2	272589	"21231390"
"117194"	"117194"	"Z49571350"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	3	2	3718835	"21303399"
"117196"	"117196"	"3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Nc3cccc(c23)C(F)(F)F"	0	""	""	1	1	3347168	"21303388"
"117199"	"117199"	"US8987474, HL1-056 (NSC-117199)"	"OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1"	0	""	""	1	1	3246406	"21303446"
"117212"	"117212"	"A818039"	"O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1.O=C3OC(=O)c4cc5C(=O)OC(=O)c5cc34"	0	""	""	1	1	272598	"25656568"
"117222"	"117222"	"(E)-4,5-DIBROMO-1,5-DIPHENYL-PENT-1-EN-3-ONE"	"BrC(C(Br)c1ccccc1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	6107678	"72998153"
"117232"	"117232"	"STL367800"	"BrC(C(Br)c1ccccc1)C(=O)C(Br)C(Br)c2ccccc2"	0	""	""	2	2	272617	"19922771"
"117269"	"117269"	"4-(4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl..."	"NC1=NC(N(C(=N1)N)c2ccc(cc2)S(=O)(=O)Nc3ncccn3)c4ccc(Cl)cc4"	0	""	""	1	1	272646	""
"117271"	"117271"	"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione"	"OC1=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c4ccc(Cl)cc4)C(=O)c5ccccc5C1=O"	0	""	""	2	2	272648	""
"117274"	"117274"	""	"OC1=C(C(CCc2ccccc2)C3=C(O)C(=O)c4ccccc4C3=O)C(=O)c5ccccc5C1=O"	0	NA	NA	1	1	NA	""
"117281"	"117281"	"ANTINEOPLASTIC-117281"	"Nc1nc(N)c(N=Nc2ccc(c(O)c2)[As](=O)(O)O)c(N)n1"	0	""	""	2	2	272658	""
"117285"	"117285"	"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid"	"Nc1nc(N)c(N=Nc2ccc(C(=O)O)c(O)c2)c(N)n1"	0	""	""	1	1	272662	""
"117356"	"117356"	"D-Amethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	NA	"51865793"
"117614"	"117614"	"adoca"	"NC1=NC(=O)N(C=C1)C2OC(COC(=O)C34CC5CC(CC(C5)C3)C4)C(O)C2O"	0	NA	NA	4	3	NA	"23113011"
"117619"	"117619"	"1-(2,3-Diphenylcycloprop-2-en-1-yl)urea"	"NC(=O)NC1C(=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	272896	""
"117739"	"117739"	"3-(2,4-Dinitrophenoxy)pyridine"	"[O-][N+](=O)c1ccc(Oc2cccnc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	272938	"40604271"
"117915"	"117915"	"Indole-2,3-dione, 5-methyl-, 3-[(o-nitrophenyl)hydrazone]"	"Cc1ccc2NC(=O)\C(=N/Nc3ccccc3[N+](=O)[O-])\c2c1"	0	""	""	2	2	3632950	"21303424"
"117917"	"117917"	"Indole-2,3-dione, 7-methyl-, 3-[(o-nitrophenyl)hydrazone]"	"Cc1cccc2\C(=N\Nc3ccccc3[N+](=O)[O-])\C(=O)Nc12"	0	""	""	3	2	3693487	"21303468"
"117949"	"117949"	"4-[(4,5-Dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]-N,N-dimethylbenzenesulfonamide"	"CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1"	0	""	""	1	1	3246414	""
"118028"	"118028"	"Phenazastanine, 5,10-dihydro-5,10,10-trimethyl-"	"CN1c2ccccc2[Sn](C)(C)c3ccccc13"	0	""	""	2	1	273088	"17154517"
"118030"	"118030"	"QN6S3B7ZA5"	"CN1c2ccc(C)cc2[Sn](c3ccccc3)(c4ccccc4)c5cc(C)ccc15"	0	""	""	2	1	419766	"17154540"
"118051"	"118051"	"Bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC"	0	""	""	2	2	273108	""
"118087"	"118087"	""	"Cl[Au]Cl.O=C1[O-][Au+3]2(NC3(CCCC3)C(=O)[O-]2)NC14CCCC4"	0	NA	NA	1	1	NA	""
"118090"	"118090"	"Isoxanthopterin"	"NC1=NC(=O)C2=C(N1)NC(=O)C=N2"	0	NA	NA	6	1	NA	"529691"
"118095"	"118095"	"1,2,4,5-Tetraaminobenzene tetrahydrochloride"	"Nc1cc(N)c(N)cc1N"	0	""	""	1	1	381091	"4506665"
"118097"	"118097"	"9229AE"	"Clc1cccc(Cl)c1CSC#N"	0	""	""	2	2	82034	"7534647"
"118176"	"118176"	"Prototryptochrome, iodo-"	"OC1C2C3C4N(C1=N)c5ccccc5C4(I)C(O)C(=N)N3c6ccccc26"	0	""	""	1	1	273178	""
"118218"	"118218"	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	1	1	NA	"21679141"
"118516"	"118516"	"Copper;1,2-dicarboxyethylazanide"	"OC(=O)CC1N[Cu]2(NC(CC(=O)O)C(=O)O2)OC1=O"	0	""	""	1	1	419807	""
"118695"	"118695"	"xanthomycin"	"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCN(CC4)C(=N)NC(=N)N)C(=O)c5c(O)cccc5[C@@]3(C)O"	0	NA	NA	1	1	NA	"13040987"
"118732"	"118732"	"NCIMech_000126"	"Cc1ccc(C)c2\C(=N\Nc3ccccc3[N+](=O)[O-])\C(=O)Nc12"	0	""	""	1	1	3403987	"21231356"
"118742"	"118742"	"Pentamethylmelamine"	"CNc1nc(nc(n1)N(C)C)N(C)C"	0	NA	NA	10	2	NA	"35832098"
"118767"	"118767"	"3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid"	"COc1cc(OCc2ccccc2)c3C(=CC(=O)Oc3c1)CCC(=O)O.COc4cc(OCc5ccccc5)cc6OC(=O)C=C(CCC(=O)O)c46"	0	""	""	1	1	273493	""
"118836"	"118836"	"4-(Acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate"	"CN1CC(=C(NC(=O)C)C1=O)OS(=O)(=O)c2ccc(C)cc2"	0	""	""	2	1	273548	""
"118976"	"118976"	"Benzyl Isothiocyanate"	"S=C=NCc1ccccc1"	0	NA	NA	2	2	NA	"622786"
"118994"	"118994"	"Inosine dialdehyde"	"OC[C@@H](O[C@H](C=O)n1cnc2C(=O)N=CNc12)C=O"	0	"Ds"	""	9	5	135400916	"23590990"
"119236"	"119236"	"ChemDiv3_001941"	"CCOC(=O)c1c2C(=O)c3ccccc3C(=O)c2n4ccccc14"	0	""	""	1	1	273769	"3306932"
"119621"	"119621"	"Ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate"	"CCOC(=O)C1C(O)CC2C1c3ccccc3c4ccccc24"	0	""	""	1	1	273923	""
"119754"	"119754"	"Coptisine chloride"	"C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1"	0	""	""	2	2	72321	"6020184"
"119875"	"119875"	"Cisplatin"	"[Cl-][Pt+2]([Cl-])(N)N"	0	"A7|AlkAg"	"FDA approved"	139	97	NA	"15663271"
"119889"	"119889"	"2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benz..."	"OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C2c3ccc(O)cc3Oc4cc(O)ccc24"	0	""	""	1	1	274104	"500533915"
"119910"	"119910"	"2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecar..."	"OC(=O)C1CCCCC1C2=C3C=CC(=O)C(=C3Oc4c(O)c(O)ccc24)O"	0	""	""	1	1	274122	""
"119913"	"119913"	"7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyc..."	"CC1C2C=CC1C(C2C(=O)O)C3=C4C=CC(=O)C(=C4Oc5c(O)c(O)ccc35)O"	0	""	""	1	1	274125	""
"119915"	"119915"	"3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid"	"OC(=O)CCC1=C2C=CC(=O)C(=C2Oc3c(O)c(O)ccc13)O"	0	""	""	1	1	274127	""
"120050"	"120050"	"4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride"	"NC(=O)c1c[nH]c2ncnc(N)c12"	0	""	""	1	1	24191132	""
"120186"	"120186"	"EC-000.1784"	"Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C=O"	0	""	""	1	1	274241	"6590654"
"120288"	"120288"	"5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid"	"OC(=O)c1nnsc1c2ccc(cc2)c3snnc3C(=O)O"	0	""	""	1	1	274297	""
"120634"	"120634"	"RTX-012089"	"NNS(=O)(=O)c1cc(cc(c1)C(=O)O)C(=O)O"	0	""	""	1	1	274548	"89626108"
"120672"	"120672"	"2-[(E)-(Fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid"	"OC(=O)c1ccccc1\C=N\N=C2c3ccccc3c4ccccc24"	0	""	""	1	1	5351984	""
"120925"	"120925"	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCNC(=O)Nc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	274726	"25313002"
"120958"	"120958"	"kinetin riboside"	"OCC1OC(C(O)C1O)n2cnc3c(NCc4occc4)ncnc23"	0	NA	NA	2	2	NA	"4338470"
"121073"	"121073"	"2-[(9-Methylpentadecan-7-yl)amino]ethyl 4-nitrobenzoate"	"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	274793	""
"121129"	"121129"	"2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride"	"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	24191363	""
"121139"	"121139"	"Acrophylline"	"COc1ccc2C(=O)c3ccoc3N(CC=C(C)C)c2c1"	0	""	""	2	2	87840	"18904400"
"121145"	"121145"	"drosopholin b"	"C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO"	0	NA	NA	2	1	NA	"125655"
"121155"	"121155"	"CS-0060737"	"C\C(=C/c1ccc2ccccc2c1)\[N+](=O)[O-]"	0	""	""	1	1	5381681	"59832121"
"121182"	"121182"	"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine"	"NC1C(O)C(CO)OC1n2cnc3c(N)ncnc23"	0	NA	NA	1	1	NA	"24807849"
"121208"	"121208"	"tnbt"	"COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)[N+](=O)[O-])c5ccc(c(OC)c5)[n+]6nc(nn6c7ccc(cc7)[N+](=O)[O-])c8ccc(cc8)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"1184436"
"121210"	"121210"	"Dehydroepiandrosterone mustard"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)[C@@H]1CCC2=O"	0	""	""	1	1	198019	"24141900"
"121322"	"121322"	"N-(8-Chloro-6-oxo-5H-phenanthridin-3-yl)acetamide"	"CC(=O)Nc1ccc2c(NC(=O)c3cc(Cl)ccc23)c1"	0	""	""	1	1	274963	""
"121713"	"121713"	"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione"	"CN(C)C1=C(Sc2ccc(C)cc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	275098	""
"121754"	"121754"	"N-[(E)-(4-Chloro-3-nitrophenyl)methylideneamino]formamide"	"[O-][N+](=O)c1cc(\C=N\NC=O)ccc1Cl"	0	""	""	2	2	6861592	""
"121771"	"121771"	""	"NC(=N)SCCN1CCCCC1"	0	NA	NA	1	1	NA	""
"121848"	"121848"	"Laudanosolinium, 2-methyl-, bromide (.+-.)-"	"C[N+]1(C)CCc2cc(O)c(O)cc2C1Cc3ccc(O)c(O)c3"	0	""	""	1	1	5351989	""
"121868"	"121868"	"Strychnine, 11-benzylidene"	"O=C1N2C3C4C5CC6N(CCC36c7ccccc27)CC5=CCOC4/C/1=C\c8ccccc8"	0	""	""	1	1	5381711	"25998703"
"121879"	"121879"	"N,N-Bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride"	"Cc1cc(ccc1\C=N\c2ccc3ccccc3c2)N(CCCl)CCCl"	0	""	""	2	2	24191452	""
"121934"	"121934"	"1-(1-Adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea"	"Clc1cc(Cl)cc(\C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c1"	0	""	""	2	2	9556459	"32403182"
"122023"	"122023"	"VALINOMYCIN"	"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C"	0	NA	NA	7	2	NA	"2001958"
"122060"	"122060"	"Ethanesulfonic acid, compd. with N-[[3-[2-chloro-4-(4,6-..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCNC(=O)Nc3cccc(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	275314	"25312985"
"122131"	"122131"	"2196AB"	"Oc1ccc(C=O)c2cccnc12"	0	""	""	2	2	275363	"2598303"
"122226"	"122226"	"Laureatin"	"CCC(Br)C1CC(Br)C2CC(O2)C(C\C=C\C#C)O1"	0	""	""	1	1	5458234	""
"122263"	"122263"	""	"CC(C)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"60610051"
"122291"	"122291"	"o-Toluenesulfonyl fluoride, 5-[3-[3-[2-chloro-4-(4,6-dia..."	"Cc1ccc(NC(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)cc1S(=O)(=O)F"	0	""	""	1	1	275433	"25466777"
"122415"	"122415"	"Dinatin"	"COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3"	0	""	""	1	1	5281628	"1447887"
"122621"	"122621"	""	"NCCSCCC(=O)O"	0	NA	NA	3	1	NA	"88512203"
"122656"	"122656"	"1-(Benzylsulfinyl)-2,4-dinitrobenzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)Cc2ccccc2"	0	""	""	1	1	275684	"35804376"
"122657"	"122657"	"1-Benzylsulfonyl-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cc2ccccc2"	0	""	""	3	3	275685	"969186"
"122716"	"122716"	"Stendomycin salicylate"	""	0	NA	NA	2	2	NA	""
"122750"	"122750"	"geldanamicin"	"CO[C@@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	NA	NA	21	16	NA	"30562346"
"122758"	"122758"	"Isotretinoin"	"C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C"	0	"Ho|RXR|Differentiator"	"FDA approved"	5	2	NA	"302794"
"122759"	"122759"	"atav"	"C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C"	0	NA	NA	1	1	NA	"68268"
"122819"	"122819"	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5CO[C@H](OC5C(O)C4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	13	11	NA	"29767202"
"122822"	"122822"	"Bio7C8"	"CC(=O)Nc1ccc(\C=C\[N+](=O)[O-])cc1"	0	""	""	2	1	5381768	"20805521"
"122864"	"122864"	"Styrene, 2,6-dichloro-.beta.-nitro-"	"[O-][N+](=O)\C=C\c1c(Cl)cccc1Cl"	0	""	""	3	2	5369223	"22482435"
"122870"	"122870"	"Methasquin"	"Cc1c(CNc2ccc(cc2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	NA	NA	4	3	NA	"18921705"
"123032"	"123032"	"Ethanesulfonic acid, compd. with p-[4-[p-(4,6-diamino-2,..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	275908	"21320569"
"123111"	"123111"	"t 53"	"COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C4C(Cn23)N4C"	0	""	""	2	2	27590	""
"123115"	"123115"	"t 73"	"CCCNC1=C(C)C(=O)C2=C([C@H](COC(=O)N)[C@]3(OC)[C@@H]4N[C@@H]4CN23)C1=O"	0	NA	NA	6	5	NA	"16910795"
"123127"	"123127"	"Doxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2575	253	NA	"25316409"
"123138"	"123138"	"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(Cl)cc3)C(=O)O"	0	""	""	2	2	275977	"27446908"
"123139"	"123139"	"L-Cysteine, S-[(4-methylphenyl)diphenylmethyl]- (9CI)"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccccc3"	0	""	""	2	2	275978	"61137686"
"123140"	"123140"	"l-cysteine, s-[bis(4-methylphenyl)phenylmethyl]-"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccc(C)cc3"	0	""	""	2	2	275979	""
"123147"	"123147"	"N-Methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine"	"CN(C)N=Nc1c(C)n[nH]c1C(F)(F)F"	0	""	""	1	1	275985	"27117028"
"123383"	"123383"	"7-hydroxy-3,4'-dimethoxy flavone"	"COc1ccc(cc1OC)C2=CC(=O)c3ccc(O)cc3O2"	0	""	""	1	1	5378518	"33513369"
"123399"	"123399"	"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione"	"O=C1CCC2=C3C4CCCCC4C(=O)C5CCCC(OC2C1)C35"	0	""	""	2	2	276142	""
"123461"	"123461"	"Benzenesulfonyl fluoride, 4-[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-, monoethanesulfonate (9CI)"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCC(=O)Nc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	276171	"21320478"
"123463"	"123463"	"Ethanesulfonic acid, compd. with 4-[3-[p-(4,6-diamino-2,..."	"Cc1cc(NC(=O)NCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	276175	"21322736"
"123465"	"123465"	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CNC(=O)Nc3ccc(c(Cl)c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	276179	"20092084"
"123468"	"123468"	"Ethanesulfonic acid, compd. with 5-[[3-[2-chloro-4-(4,6-..."	"Cc1ccc(cc1S(=O)(=O)F)C(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N"	0	""	""	1	1	276185	"25313079"
"123469"	"123469"	"Ethanesulfonic acid, compd. with 4-[3-[2-[2-chloro-4-(4,..."	"Cc1cc(NC(=O)NCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	276187	"25313148"
"123491"	"123491"	"L-Cysteine, S-[tris(4-methylphenyl)methyl]- (9CI)"	"Cc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccc(C)cc2)c3ccc(C)cc3"	0	""	""	2	2	420441	"61137697"
"123493"	"123493"	"L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]- (9CI)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(F)cc3)C(=O)O"	0	""	""	2	2	420442	"61137664"
"123511"	"123511"	"1,4-Naphthalenedione, 2-(3,3-dibromo-2-propenyl)-3-hydro..."	"OC1=C(CC=C(Br)Br)C(=O)c2ccccc2C1=O"	0	""	""	1	1	276206	"36417159"
"123516"	"123516"	"Propylamine, 3-(2-chloro-4-nitrophenoxy)-, monohydrobromide"	"NCCCOc1ccc(cc1Cl)[N+](=O)[O-]"	0	""	""	1	1	21144443	"25313217"
"123528"	"123528"	"l-cysteine, s-[(4-methoxyphenyl)diphenylmethyl]-"	"COc1ccc(cc1)C(SCC(N)C(=O)O)(c2ccccc2)c3ccccc3"	0	""	""	2	2	420454	""
"123529"	"123529"	"l-cysteine, s-(2-naphthalenyldiphenylmethyl)- (9ci)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc4ccccc4c3)C(=O)O"	0	""	""	2	2	420455	"25840840"
"123794"	"123794"	"ZX-AT024064"	"Cc1ccc(O)c(c1)C(=O)\C=C\c2ccccc2"	0	""	""	1	1	5708670	"1775980"
"123814"	"123814"	"2,7-Dinitro-9h-fluoren-9-one oxime"	"ON=C1c2cc(ccc2c3ccc(cc13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	276243	"23818259"
"123829"	"123829"	"2,2-Dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide"	"COc1cc2Cc3cc(NC(=O)C(Cl)Cl)ccc3c2cc1NC(=O)C(Cl)Cl"	0	""	""	2	2	276258	""
"123976"	"123976"	"Neriifolin"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	5	2	NA	"466079"
"123977"	"123977"	"Sarnovid"	"COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3C(O)CC5(C)C(CCC45O)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	NA	"547079"
"123978"	"123978"	"Sarveroside"	"COC1CC(OC2CCC3(C)C(C2)CC4OC5CC(C6=CC(=O)OC6)C7(C)C(=O)C(O)C3C4C57O)OC(C)C1O"	0	""	""	2	2	120725	"545368"
"123979"	"123979"	"Thevetin"	"CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O"	0	""	""	2	2	5458241	"27127793"
"123994"	"123994"	"4,5,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobe..."	"Oc1ccc(cc1c2ccccc2)C3(OC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c34)c5ccc(O)c(c5)c6ccccc6"	0	""	""	1	1	276306	""
"124147"	"124147"	"harringtonin"	"COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	NA	NA	2	1	NA	"26833852"
"124202"	"124202"	"Benzimidazo[1,2-c]quinazolin-6(12h)-one"	"O=C1Nc2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	135431964	"16367990"
"124232"	"124232"	"Ethanesulfonic acid, compd. with p-[[4-[2-chloro-4-(4,6-..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCNC(=O)c3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	276432	"25313182"
"124463"	"124463"	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	2	2	NA	"21679152"
"124499"	"124499"	"4-{[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-1-yl]oxy}naphthalene-1,2-dione"	"FC(F)(F)C(=CCOC1=CC(=O)C(=O)c2ccccc12)C(F)(F)F"	0	""	""	1	1	276502	""
"124664"	"124664"	"Sodium;2-amino-3-tritylsulfanylpropanoic acid"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O"	0	""	""	1	1	54598975	""
"124749"	"124749"	"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate"	"CC(=O)OC1=CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C#C)C2(C)CC1"	0	""	""	1	1	276608	""
"124764"	"124764"	"S-Hexadecyl methanethiosulfonate"	"CCCCCCCCCCCCCCCCSS(=O)(=O)C"	0	""	""	4	4	97458	"7559479"
"124770"	"124770"	"s-decyl p-toluenethiosulfonate"	"CCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1"	0	""	""	3	1	97461	"28519337"
"124784"	"124784"	"S-BENZYL P-TOLUENETHIOSULFONATE"	"Cc1ccc(cc1)S(=O)(=O)SCc2ccccc2"	0	""	""	2	2	276623	"16601028"
"124994"	"124994"	"Naphthalen-1,4-dione, 3-butanoylamino-2-chloro-1,4-dihydro-"	"CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	2	2	276685	""
"125034"	"125034"	"2,2'-disulfanediyldiquinolin-8-ol"	"Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12"	0	""	""	1	1	276707	""
"125066"	"125066"	"Bleomycin"	"C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC[S+](C)C"	0	"Db"	"FDA approved"	131	121	NA	"9041934"
"125176"	"125176"	"Mikamycin, B grade"	"CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C3CC(=O)CCN3C(=O)C(Cc4ccc(cc4)N(C)C)N(C)C(=O)C5CCCN5C1=O)c6ccccc6.CC(C)C7OC(=O)C8=CCCN8C(=O)c9coc(CC(=O)CC(O)\C=C(/C)\C=C/CNC(=O)\C=C\C7C)n9"	0	""	""	2	1	11979458	""
"125201"	"125201"	"4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide"	"NC(=N)NC(=N)Nc1ccc(cc1)S(=O)(=O)N"	0	""	""	1	1	276767	"5626868"
"125347"	"125347"	"L06TDN89AB"	"Cc1nc(N)nc(N)c1CCCCc2ccccc2"	0	""	""	1	1	276876	"1597019"
"125348"	"125348"	"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCNC(=O)Nc3cccc(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	276877	"25313159"
"125511"	"125511"	"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol"	"CCCCCCCCCCCCCNCC(C)O"	0	""	""	1	1	277027	""
"125541"	"125541"	"3,7-Diamino-4,6-dibromo-2-methoxy-9H-fluoren-9-one"	"COc1cc2C(=O)c3cc(N)c(Br)cc3c2c(Br)c1N"	0	""	""	2	2	277056	""
"125552"	"125552"	"8-Methoxy-3,9-dinitrophenanthridin-6(5h)-one"	"COc1cc2C(=O)Nc3cc(ccc3c2cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	277067	""
"125844"	"125844"	"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid"	"Cc1cc(NC(=O)NCCCOc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)ccc1S(=O)(=O)F"	0	""	""	2	2	277241	"25313068"
"125845"	"125845"	"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	277243	""
"125973"	"125973"	"Paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	63	42	NA	"33069624"
"126217"	"126217"	"L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]- (9CI)"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc(Br)cc3)C(=O)O"	0	""	""	2	2	420691	"61137675"
"126228"	"126228"	"Ethanesulfonic acid, compd. with m-[4-[m-(4,6-diamino-2,..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3cccc(c3)S(=O)(=O)F)c2"	0	""	""	2	2	277387	""
"126668"	"126668"	"Diphenoxyphosphoryl-phenyl-methanol"	"OC(c1ccccc1)P(=O)(Oc2ccccc2)Oc3ccccc3"	0	""	""	1	1	277714	"52364326"
"126710"	"126710"	"5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine"	"Cc1cc(OCc2nc(N)nc(N)c2c3ccc(Cl)c(Cl)c3)ccc1[N+](=O)[O-]"	0	""	""	2	2	420759	"21975826"
"126719"	"126719"	"3-(Acetyloxy)card-20(22)-enolide"	"CC(=O)OC1CCC2(C)C(CCC3C4CCC(C5=CC(=O)OC5)C4(C)CCC23)C1"	0	""	""	1	1	277743	"5672242"
"126727"	"126727"	"desmethoxy-b-peltatin-a methyl ether"	"COc1ccc(cc1OC)C2C3C(Cc4c(OC)c5OCOc5cc24)OCC3=O"	0	NA	NA	2	2	NA	""
"126728"	"126728"	"ver a"	"C[C@@H]1CCOC(=O)\C=C\C=C/C(=O)O[C@@H]2C[C@@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)C1O)[C@@]2(C)[C@]35CO5.[ZH]"	0	NA	NA	12	3	NA	"3148092"
"126765"	"126765"	"holacanthone"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](OC(=O)C)[C@@H]14"	0	NA	NA	7	6	NA	"84062602"
"126771"	"126771"	"Dichloroallyl lawsone"	"OC1=C(CC=C(Cl)Cl)C(=O)c2ccccc2C1=O"	0	"Ds|Rs"	""	13	11	277767	"36417160"
"126849"	"126849"	"3-DEAZAURIDINE"	"OCC1OC(C(O)C1O)N2C=CC(=O)CC2=O"	0	NA	NA	11	11	NA	"39935494"
"126933"	"126933"	"4-Methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)NNC(C[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	277880	""
"127128"	"127128"	"4-Amino-1,3-dibromophenanthridin-6(5H)-one"	"Nc1c(Br)cc(Br)c2c1NC(=O)c3ccccc23"	0	""	""	2	2	278033	""
"127130"	"127130"	"6-(1,3-Benzodioxol-5-ylmethyl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione"	"O=C1N(Cc2ccc3OCOc3c2)C(=O)c4ccccc4c5ccccc15"	0	""	""	2	1	278035	"27022180"
"127140"	"127140"	"3-Amino-2,8-dichlorophenanthridin-6(5h)-one"	"Nc1cc2NC(=O)c3cc(Cl)ccc3c2cc1Cl"	0	""	""	1	1	278044	""
"127157"	"127157"	"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccc(cc3Cl)S(=O)(=O)F)c2"	0	""	""	2	2	278058	"31368577"
"127159"	"127159"	"Ethanesulfonic acid, compd. with p-[4-[2-chloro-4-(4,6-d..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	278062	"31368566"
"127328"	"127328"	"Guanidine, 1-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro..."	"CC(C)N(CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(c2)C(F)(F)F)n1)C(C)C"	0	""	""	2	1	49791547	"51387689"
"127442"	"127442"	"Flavacol"	"CC(C)CC1=CN=C(CC(C)C)C(=O)N1"	0	""	""	1	1	278143	"495987"
"127444"	"127444"	"Aspergillic acid, dehydrodeoxy-"	"C\C=C(\C)/C1=CN=C(CC(C)C)C(=O)N1"	0	NA	NA	1	1	NA	""
"127445"	"127445"	"aspergillic acid, hydroxy"	"CCC(C)(O)C1=CN=C(CC(C)C)C(=O)N1O"	0	""	""	1	1	73679	"4562394"
"127471"	"127471"	"4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile"	"Nc1nc(N)c(c(COc2ccc(cc2)C#N)n1)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	420798	"19296550"
"127571"	"127571"	""	"O[N+](=O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1"	0	NA	NA	1	1	NA	"17994159"
"127622"	"127622"	"Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate"	"COC(=O)c1cc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc(c1)C(=O)OC"	0	""	""	1	1	3438641	"25351819"
"127627"	"127627"	"1-{[3-(Butylsulfonyl)-4-methylphenyl]amino}-4-hydroxyanthracene-9,10-dione"	"CCCCS(=O)(=O)c1cc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)ccc1C"	0	""	""	1	1	278252	""
"127680"	"127680"	"N-ACETYLSULFANILYL CHLORIDE"	"COC(=O)c1cc2ccccc2c3c4OCOc4ccc13"	0	""	""	1	1	278267	"38288469"
"127687"	"127687"	"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid"	"OC(=O)c1cc2ccccc2c3c4OCOc4ccc13"	0	""	""	1	1	278273	"38288447"
"127712"	"127712"	"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione"	"CC1CCCc2c(CC3CC(=O)NC(=O)C3)nc(N)nc12"	0	""	""	1	1	278295	"28360614"
"127716"	"127716"	"DECITABINE"	"NC1=NC(=O)N(C=N1)C2CC(O)C(CO)O2"	0	"AM|DNMT"	"FDA approved"	11	4	NA	"2353335"
"127752"	"127752"	"6,6-dimethyl-1-(3-phenethylphenyl)-1,6-dihydro-1,3,5-tri..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCc3ccccc3)c2"	0	NA	NA	2	2	NA	"2009623"
"127753"	"127753"	"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-ph..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccccc3)cc2"	0	NA	NA	2	2	NA	"15986240"
"127754"	"127754"	"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-(4..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCOc3ccccc3)c2"	0	NA	NA	2	2	NA	"17399165"
"127755"	"127755"	"Dihydrotriazine derivative"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(cc3Cl)S(=O)(=O)F)c(Cl)c2"	0	""	""	8	7	160202	"31368486"
"127763"	"127763"	"Propanamide, 2,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-a..."	"ClCC(Cl)C(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	73490	"63915902"
"127923"	"127923"	"WR 09792"	"NC(=N)N\N=C(/c1ccc(F)cc1)\c2ccc(cc2)C(F)(F)F"	0	NA	NA	2	2	NA	"19982877"
"128177"	"128177"	"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione"	"[O-][N+](=O)c1ccc(cc1)C2OC(=O)CC(=O)O2"	0	""	""	2	1	278502	"58413482"
"128184"	"128184"	"1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccccc3)c(Cl)c2"	0	""	""	2	2	24191814	"15986262"
"128186"	"128186"	"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)cc3S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	278507	"31368544"
"128187"	"128187"	"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCCOc3ccc(cc3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	278509	""
"128206"	"128206"	"Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate"	"COC(=O)C(Br)(C(Br)C(Br)C(Br)c1ccccc1)C(=O)OC"	0	""	""	2	1	278524	""
"128280"	"128280"	"Aracytidine 5'-O-phenylphosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)Oc3ccccc3)C(O)C2O"	0	""	""	2	2	278572	"17489611"
"128305"	"128305"	"Kampferol-3,4'-dimethyl ether"	"COc1ccc(cc1OC)C2=CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	1	1	5351234	"4712123"
"128403"	"128403"	"4,4'-methylenedi-2,6-xylenol"	"Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O"	0	""	""	1	1	79345	"5384214"
"128571"	"128571"	"Benzenesulfonyl fluoride, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate (9CI)"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCc3ccc(Cl)c(c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	2	2	278692	"31368511"
"128578"	"128578"	"Methanesulfonamide, N-[4-[(3-nitro-9-acridinyl)amino]phe..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1"	0	""	""	2	2	12999180	"53251040"
"128579"	"128579"	"Methanesulfonamide, N-[4-[(3-amino-9-acridinyl)amino]phe..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(N)ccc24)cc1"	0	""	""	2	2	12999264	""
"128580"	"128580"	"3-((2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4 -l)met..."	"Nc1nc(N)c(c(COc2cccc(c2)C#N)n1)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	420881	"25288146"
"128635"	"128635"	"1-Chloro-2-nitrophenanthridin-6(5h)-one"	"[O-][N+](=O)c1ccc2NC(=O)c3ccccc3c2c1Cl"	0	""	""	1	1	278740	""
"128687"	"128687"	"6H-Furo[2',3',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6..."	"OCC1OC2C(OC3=NC(=N)C=CN23)C1OP(=O)(O)O"	0	NA	NA	2	2	NA	"25878335"
"128832"	"128832"	"2-Ethyl-3-methyl-1,4-dihydroquinoxaline-5,8-dione"	"CCc1nc2c(O)ccc(O)c2nc1C"	0	""	""	2	1	135429854	""
"128877"	"128877"	"[1]Benzothieno[3,2-h]isoquinoline"	"c1ccc2c(c1)sc3c2ccc4ccncc34"	0	""	""	1	1	278923	"23985833"
"128887"	"128887"	"Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethy..."	"ClCCN(CCCl)c1ccc(CCCC(=O)NCc2ccccc2)cc1"	0	""	""	1	1	278929	""
"128895"	"128895"	"Neuro_000063"	"Cc1c2CCN=C(c3ccc(F)cc3)c2cc4c5ccccc5[nH]c14"	0	""	""	6	2	278937	""
"128981"	"128981"	"N-[3-(4-Chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(Sc2ccc(Cl)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	279002	""
"129152"	"129152"	"Hygrophylline"	"C\C=C/1\C(O)C(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23"	0	NA	NA	1	1	NA	"3573828"
"129185"	"129185"	"melbex"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O"	0	""	"FDA approved"	2	2	NA	"24280931"
"129220"	"129220"	"Cyclo-C"	"OCC1OC2C(OC3=NC(=N)C=CN23)C1O"	0	NA	NA	2	2	NA	"10212289"
"129266"	"129266"	"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione"	"COc1ccc(cc1)N2CN(C)CSC2=S"	0	""	""	1	1	279093	"92491195"
"129408"	"129408"	"Terephthalodihydroxamic acid"	"ONC(=O)c1ccc(cc1)C(=O)NO"	0	""	""	1	1	88356	"20073807"
"129409"	"129409"	"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- (..."	"Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1"	0	""	""	1	1	26341	"13932406"
"129414"	"129414"	"emetine, dehydro-"	"CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1"	0	""	""	1	1	3084192	"14358431"
"129518"	"129518"	"Cyclopyrethrosin"	"CC(=O)O[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@H](O)CCC(=C)[C@H]13)OC(=O)C2=C"	0	""	""	2	2	279214	"22553668"
"129585"	"129585"	"2-Phenylpyrazino[2,3-b]quinoxaline"	"c1ccc(cc1)c2cnc3nc4ccccc4nc3n2"	0	""	""	1	1	279245	"80102438"
"129757"	"129757"	"2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide"	"Brc1cccc[n+]1c2ccc3cc(ccc3c2)[n+]4ccccc4Br"	0	""	""	1	1	54608313	""
"129790"	"129790"	""	"CC(CN1CCN(CC(C)Nc2ccnc3cc(Cl)ccc23)CC1)Nc4ccnc5cc(Cl)ccc45"	0	NA	NA	2	2	NA	"10547407"
"129794"	"129794"	"Ethanesulfonic acid, compd. with 2-chloro-5-[4-[m-(4,6-d..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccc(Cl)c(c3)S(=O)(=O)F)c2"	0	""	""	1	1	279319	"31368599"
"129922"	"129922"	"Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate"	"COC(=O)C(CO)NC(=O)C(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4"	0	""	""	2	1	279421	"23465056"
"129925"	"129925"	"2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid"	"CC(C)CC(Nc1c(O)ccc2ccccc12)C(=O)O"	0	""	""	1	1	279422	""
"129943"	"129943"	"Razoxane"	"CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	10	3	30623	"21416875"
"129957"	"129957"	""	"ClC1=CC2=Nc3ccccc3SC2=C(Cl)C1=O"	0	NA	NA	1	1	NA	"21004900"
"130227"	"130227"	"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccc(Cl)cc3S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	279528	"31368419"
"130279"	"130279"	"8-Azainosine"	"OCC1OC(C(O)C1O)n2nnc3C(=O)N=CNc23"	0	NA	NA	2	2	NA	"4968687"
"130785"	"130785"	"8-Aminoquinoline-5,6-dione"	"NC1=CC(=O)C(=O)c2cccnc12"	0	""	""	1	1	279596	"49797491"
"130789"	"130789"	"2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid"	"CN(C)CC1CCCCCC(Br)C1=O"	0	""	""	2	2	279600	""
"130796"	"130796"	"7,7'-methylenebis(5-nitroquinolin-8-ol)"	"Oc1c(Cc2cc(c3cccnc3c2O)[N+](=O)[O-])cc(c4cccnc14)[N+](=O)[O-]"	0	""	""	2	2	279605	"76289300"
"130801"	"130801"	"2-{[(6-Methoxyquinolin-8-yl)amino]methyl}phenol"	"COc1cc(NCc2ccccc2O)c3ncccc3c1"	0	""	""	1	1	279609	""
"130813"	"130813"	"4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpipe..."	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccc(O)c(CN5CCN(C)CC5)c4)c2c1"	0	NA	NA	2	2	NA	""
"130830"	"130830"	"5-[(Benzylamino)methyl]quinolin-8-ol"	"Oc1ccc(CNCc2ccccc2)c3cccnc13"	0	""	""	2	2	279623	""
"130862"	"130862"	"(Z)-3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile"	"COc1ccc(cc1)\C(=C\c2ccccc2OC)\C#N"	0	""	""	1	1	5793739	""
"130876"	"130876"	""	"CC(=O)Nc1cc(CN2CCCCC2)c(O)c3ncccc13"	0	NA	NA	1	1	NA	""
"131020"	"131020"	"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCc3ccc(c(Cl)c3)S(=O)(=O)F)c(Cl)c2"	0	""	""	1	1	279748	"31000029"
"131053"	"131053"	"7-ocpz"	"CN(C)CCCN1c2ccc(O)cc2Sc3ccc(Cl)cc13"	0	""	""	1	1	16414	"2095627"
"131064"	"131064"	"3,3-dibesylpropionic acid tert-butyl ester"	"CC(C)(C)OC(=O)CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	279782	"39837291"
"131184"	"131184"	"N-[2-Nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)c2cccnc2)C(F)(F)F"	0	""	""	1	1	279886	""
"131233"	"131233"	"Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, dihydro..."	"CN(C)CC1CCC(CN(C)C)C1=O"	0	NA	NA	3	3	NA	"6333228"
"131238"	"131238"	"[(E)-[3-Methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine"	"Cc1n[nH]c(c1N=NN2CCOCC2)C(F)(F)F"	0	""	""	2	1	279924	"27117062"
"131250"	"131250"	"Methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate"	"COC(=O)c1n[nH]c(C)c1N=NN(C)CCC#N"	0	""	""	1	1	279936	""
"131257"	"131257"	"(4Z)-N-[(2-Chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide"	"CN(C)N=Nc1c(C)[nH]nc1C(=O)N\N=C\c2ccccc2Cl"	0	""	""	2	2	135545659	""
"131258"	"131258"	"4-(Dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide"	"CN(C)N=Nc1c(C)[nH]nc1C(=O)N\N=C\c2cccs2"	0	""	""	1	1	135545660	""
"131261"	"131261"	"4-(Dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide"	"CC(C)c1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	279947	""
"131262"	"131262"	"4-(Dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide"	"CCCc1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	279948	""
"131263"	"131263"	"4-(Dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide"	"CCc1[nH]nc(C(=O)N)c1N=NN(C)C"	0	""	""	1	1	279949	""
"131513"	"131513"	"ANTINEOPLASTIC-131513"	"Cc1ccc(C[As+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1"	0	""	""	2	2	10672721	"60430800"
"131530"	"131530"	"(2E)-2-Hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone"	"O\N=C\C(=O)c1c([nH]c(c2ccccc2)c1c3ccccc3)c4ccccc4"	0	""	""	1	1	9614301	""
"131547"	"131547"	"Marckine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5c4[nH]c6ccc(O)cc56"	0	""	""	8	6	72341	"2632293"
"131734"	"131734"	"4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol"	"COc1ccc2c(Cc3c4ccccc4cc5ccccc35)cncc2c1O"	0	""	""	2	2	135431975	""
"131888"	"131888"	"1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole"	"Cn1c(\C=C\[N+](=O)[O-])cc2ccccc12"	0	""	""	1	1	5382055	"7171848"
"131919"	"131919"	"2,7-Dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione"	"ClC1=Cc2nc(Cl)cn2C(=S)N1"	0	""	""	1	1	3317089	"27420366"
"131943"	"131943"	"Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]- (9CI)"	"[O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc2ccccc2"	0	""	""	1	1	763768	"56437980"
"131977"	"131977"	"Carbanilide, N-benzylthio- (8CI)"	"S=C(Nc1ccccc1)N(Cc2ccccc2)c3ccccc3"	0	""	""	1	1	3933957	"3053392"
"132095"	"132095"	"Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate"	"COC(=O)c1ccc(NC(=O)Oc2ccc(cc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	280453	"17272990"
"132125"	"132125"	"indophenol blue"	"CN(C)c1ccc(cc1)\N=C\2/C=CC(=O)c3ccccc23"	0	""	""	1	1	67235	"132310"
"132230"	"132230"	"(7-Methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium"	"COc1ccc2c(Cc3cc(ccc23)N=[N+]([O-])c4ccc5c(Cc6cc(OC)ccc56)c4)c1"	0	""	""	1	1	280491	"26319802"
"132275"	"132275"	"Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diam..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2"	0	NA	NA	2	2	NA	""
"132276"	"132276"	"Ethanesulfonic acid, compd. with 1-[3-chloro-4-(2-phenyl..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCc3ccccc3)c(Cl)c2"	0	""	""	2	2	280520	""
"132277"	"132277"	"Ethanesulfonic acid, compd. with 1,6-dihydro-6,6-dimethy..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CCCCc3ccccc3)c2"	0	NA	NA	2	2	NA	""
"132279"	"132279"	"4-[6-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride;ethanesulfonic acid"	"CC1(C)N=C(N)N=C(N)N1c2ccc(CCCCCCc3ccc(cc3)S(=O)(=O)F)cc2"	0	""	""	2	2	280526	"31368475"
"132313"	"132313"	"Dianhydrogalactitol"	"OC(C(O)C1CO1)C2CO2"	0	"A7"	""	13	9	NA	"23261203"
"132483"	"132483"	"Aminopterin Derivative"	"Cc1c(CNc2ccc(Cl)c(c2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	"Df"	""	4	3	421299	""
"132492"	"132492"	"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione"	"COC1=C(Br)C(=O)c2nc(C)ccc2C1=O"	0	""	""	2	2	280615	"61895372"
"132493"	"132493"	"5,8-Quinolinedione, 7-amino-6-methoxy-2-methyl-"	"COC1=C(N)C(=O)c2nc(C)ccc2C1=O"	0	""	""	2	2	280616	"61895383"
"132791"	"132791"	"glaucarubinone"	"CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	9	7	NA	"1259865"
"132868"	"132868"	"(6E)-6-[(8-Chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one"	"Clc1cccc2c(\C=C/3\CC4CCN3CC4=O)ccnc12"	0	""	""	1	1	6509056	""
"133071"	"133071"	"Ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenox..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCCCOc3ccccc3)c(Cl)c2"	0	""	""	2	2	280859	""
"133072"	"133072"	"Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dime..."	"Cc1cccc(NC(=O)CCc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N)c1"	0	NA	NA	2	2	NA	""
"133100"	"133100"	"rifocin"	"[Na+].COC1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)C(O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)cc(O)c4c3C2=O"	0	NA	NA	10	8	NA	"15105927"
"133115"	"133115"	"3-deazacytidine"	"NC1=CC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	NA	NA	1	1	NA	"28307199"
"133118"	"133118"	"2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ri..."	"Nc1ncnc2nn(nc12)C3OC(CO)C(O)C3O"	0	""	""	2	2	280898	"28279621"
"133119"	"133119"	"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol"	"CN(C)c1ncnc2c1nnn2C3OC(CO)C(O)C3O"	0	""	""	2	2	280899	"38874441"
"133479"	"133479"	"PNKOPSUYMMDTKJ-UHFFFAOYSA-N"	"CC(=O)OCc1cc2ccccc2nc1C(Br)(Br)Br"	0	""	""	1	1	281015	""
"133497"	"133497"	""	"Cc1cc(C)c(C(=O)OC(C(N2CCOCC2)c3ccccc3)c4ccccc4)c(C)c1"	0	NA	NA	1	1	NA	""
"133729"	"133729"	"Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1..."	"CN(CCO)N=Nc1n[nH]cc1C(=O)N"	0	""	""	2	1	135545670	"34039651"
"133757"	"133757"	"2-[(3,3-Dichloroprop-2-en-1-yl)oxy]naphthalene-1,4-dione"	"ClC(=CCOC1=CC(=O)c2ccccc2C1=O)Cl"	0	""	""	2	2	281172	""
"133896"	"133896"	"Compound 133896"	"[O-][N+](=O)c1cc2C(=O)c3ccccc3c2cc1[N+](=O)[O-]"	0	""	""	2	2	281255	""
"134033"	"134033"	"Aminopterin Derivative"	"Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)c(Cl)c3)ccc2n1"	0	"Df"	""	4	3	421455	""
"134134"	"134134"	"3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid"	"OC(=O)c1cc2ccccc2c(N=Nc3ccc(cc3)S(=O)(=O)Nc4ccccn4)c1O"	0	""	""	1	1	421463	""
"134138"	"134138"	"3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid"	"OC(=O)c1cc2ccccc2c(N=Nc3ccc(cc3)S(=O)(=O)O)c1O"	0	""	""	1	1	281356	"93327141"
"134148"	"134148"	"3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid"	"NS(=O)(=O)c1ccc(cc1)N=Nc2cc3ccccc3c(C(=O)O)c2O"	0	""	""	2	2	281365	""
"134228"	"134228"	"Acetic acid, thio-,S-[.alpha.-(nitromethyl)benzyl] ester"	"CC(=O)SC(C[N+](=O)[O-])c1ccccc1"	0	""	""	2	2	281443	"29651818"
"134244"	"134244"	"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid"	"OC(=O)c1cc(nc2ccccc12)c3ccc4cc5OCOc5cc4c3"	0	""	""	1	1	281451	""
"134250"	"134250"	"Alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, L-"	"NC(CSC(c1ccccc1)(c2ccccc2)c3ccc4OCOc4c3)C(=O)O"	0	NA	NA	2	2	NA	"35959945"
"134390"	"134390"	"Ptq-mtsz"	"NC(=S)N\N=C\1/C(=O)c2ccccc2c3ccccc13"	0	""	""	2	2	929712	"59851251"
"134459"	"134459"	"acetamide, n-(2-mercaptoethyl)-, benzoate (6ci, 7ci)"	"CC(=O)NCCSC(=O)c1ccccc1"	0	""	""	2	2	281604	"91133152"
"134544"	"134544"	"(3Z)-5-Methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3cc(OC)c(OC)c(OC)c3)\c2c1"	0	""	""	2	2	6279389	""
"134664"	"134664"	"CAA102427"	"COc1ccc(\C=C(\C#N)/C(=O)N)c(OC)c1"	0	""	""	1	1	5458263	""
"134672"	"134672"	"CAA103213"	"COc1cc(\C=C(\C#N)/C(=O)N)ccc1O"	0	""	""	2	1	720870	"91138328"
"134679"	"134679"	"Carboqone; Carbazilquinone"	"COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C"	0	"A7"	""	3	3	2569	"24279912"
"134723"	"134723"	"K 31"	"CNC(=O)OCC1C2=C(N3CC4C(N4C)C13OC)C(=O)C(=C(N)C2=O)C"	0	""	""	1	1	281830	""
"134725"	"134725"	"K 33"	"CCNC(=O)OCC1C2=C(N3CC4C(N4C)C13OC)C(=O)C(=C(N)C2=O)C"	0	""	""	2	2	281832	""
"134727"	"134727"	"Mitomycin"	"COC12C(COC(=O)NCCO)C3=C(N1CC4NC24)C(=O)C(=C(N)C3=O)C"	0	"A2|AlkAg"	"FDA approved"	2	2	281834	""
"134754"	"134754"	""	"CCC1=C(CC2NCCc3ccccc23)CC4N(CCc5cc(OC)c(OC)cc45)C1"	0	NA	NA	3	1	NA	""
"134755"	"134755"	""	"CCC1=C(CC2NCCc3cc(OC)c(OC)cc23)CC4N(CCc5ccccc45)C1"	0	NA	NA	1	1	NA	""
"134981"	"134981"	"2,3-Dibromo-2,3-diphenylcyclopropanecarboxylic acid"	"OC(=O)C1C(Br)(c2ccccc2)C1(Br)c3ccccc3"	0	""	""	1	1	281957	""
"135015"	"135015"	"ISARIIN"	"CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1"	0	""	""	2	2	73424	"10409855"
"135021"	"135021"	"Eupacunoxin"	"C[C@H]1O[C@@]1(C)C(=O)O[C@@H]2\C=C(\C)/[C@H](O)C[C@H](OC(=O)C)\C(=C/[C@H]3OC(=O)C(=C)[C@H]23)\C.[ZH].[ZH]"	0	NA	NA	1	1	NA	"33853882"
"135036"	"135036"	"SCILLIGLAUCOSIDIN"	"CC12CCC3C(CCC4=CC(O)CCC34C=O)C1(O)CCC2C5=COC(=O)C=C5"	0	NA	NA	10	3	NA	"510623"
"135037"	"135037"	"jatrophon"	"C[C@@H]1C[C@]23OC(=C(C)C2=O)CC(C)(C)\C=C\C(=O)\C(=C/C3=C1)\C"	0	NA	NA	3	3	NA	"29444039"
"135048"	"135048"	"siccanin"	"Cc1cc(O)c2C3OCC45CCCC(C)(C)C4CCC(C)(Oc2c1)C35"	0	NA	NA	1	1	NA	"22733604"
"135070"	"135070"	"hypopistephanine"	"COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(CC6=NCCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	NA	NA	1	1	NA	"33116415"
"135073"	"135073"	"WITHACNISTIN"	"C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23COC(=O)C"	0	""	""	8	4	54606507	"21902998"
"135077"	"135077"	"BERSALDEGENIN 1,3,5-ORTHOACETATE"	"CC12OC3CC(O1)C4(C=O)C5CCC6(C)C(CCC6(O)C5CCC4(C3)O2)C7=COC(=O)C=C7"	0	""	""	1	1	282021	"23044668"
"135168"	"135168"	"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]"	"[O-][N+](=O)C1C(c2ccccc2)C13c4ccccc4c5ccccc35"	0	""	""	2	2	282082	"34166911"
"135371"	"135371"	"2-phenyl-3-(1-piperidyl)-4-[?]yl-thietane 1,1-dioxide"	"O=S1(=O)C(C2CC3c4ccccc4C2c5ccccc35)C(C1c6ccccc6)N7CCCCC7"	0	""	""	2	2	421543	""
"135687"	"135687"	"Acetylmarinobufogenin"	"CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C3CCC2(O)C1)C6=COC(=O)C=C6"	0	NA	NA	5	4	NA	"4029689"
"135688"	"135688"	""	"CC(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6)C1"	0	NA	NA	5	4	NA	"4029645"
"135734"	"135734"	"Butyrophenone,4-(diphenylphosphinyl)-2-methoxy-2-phenyl- (8CI)"	"COC(CCP(=O)(c1ccccc1)c2ccccc2)(C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	282323	"22950512"
"135757"	"135757"	"Methanesulfonamide, N-[4-[(5-methyl-3-nitro-9-acridinyl)..."	"Cc1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	2	2	12323850	"59748548"
"135758"	"135758"	"Piperazinedione"	"Cl[C@H]1CC[C@@H](NC1)[C@@H]2NC(=O)[C@@H](NC2=O)[C@H]3CC[C@H](Cl)CN3"	0	"A7"	""	10	7	NA	"41109802"
"135854"	"135854"	"N-[(Z)-1H-Indol-3-ylmethylideneamino]-2-nitroaniline"	"[O-][N+](=O)c1ccccc1N\N=C\c2c[nH]c3ccccc23"	0	""	""	2	2	135545695	"28558658"
"135880"	"135880"	"3,4,5,6-Tetramethylphenanthrene-9,10-dione"	"Cc1ccc2C(=O)C(=O)c3ccc(C)c(C)c3c2c1C"	0	""	""	2	2	282415	"17825400"
"135925"	"135925"	"3,4-dichlorocoumarin"	"ClC1=C(Cl)c2ccccc2OC1=O"	0	""	""	1	1	282447	"5117566"
"135929"	"135929"	"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one"	"Cc1cc2OC(=O)C(=C(Cl)c2c(C)c1Cl)Cl"	0	""	""	1	1	282451	"5250419"
"135962"	"135962"	"p-ara-c"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	4	3	NA	"31088069"
"135975"	"135975"	"3H-1,2-Dithiole, tetrachloro-"	"ClC1=C(Cl)C(Cl)(Cl)SS1"	0	""	""	2	1	55894	"88917026"
"136036"	"136036"	"pentalenolactone"	"CC1C2C=C(C3COC(=O)C4(CO4)C23C=C1C)C(=O)O"	0	NA	NA	4	3	NA	""
"136037"	"136037"	"at 116, benzylamine salt"	"CC1C2C=C(C3COC(=O)C4(CO4)C23C=C1C)C(=O)O.NCc5ccccc5"	0	NA	NA	4	3	NA	""
"136044"	"136044"	"Rhodomycin A"	"CC[C@@]1(O)C[C@H](OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)cccc5C(=O)c4c(O)c3[C@H]1OC6CC(C(O)C(C)O6)N(C)C"	0	""	""	4	2	5351236	"23666504"
"136268"	"136268"	"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide"	"COc1ccccc1N(C(=O)C)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	1	282598	""
"136274"	"136274"	"2,6-Dichlorophenanthridine"	"Clc1ccc2nc(Cl)c3ccccc3c2c1"	0	""	""	1	1	282601	"38052812"
"136468"	"136468"	"Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid"	"SC(=S)NCC1CCC(CNC(=S)S)CC1"	0	""	""	1	1	54600120	""
"136469"	"136469"	"BIDD:GT0577"	"OC(=O)c1cc(nc2cc3ccccc3cc12)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	282667	""
"136513"	"136513"	"DIBENZOYLFURAN DERIV"	"COc1cc(cc(OC)c1OC)C(=O)c2cocc2C(=O)c3ccc4OCOc4c3"	0	""	""	7	4	282697	"22600288"
"136592"	"136592"	"Dichloroallyl lawsone, sodium salt"	"OC1=C(CC=C(Cl)Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	54610148	""
"136704"	"136704"	"Xanthatin"	"CC1CC2OC(=O)C(=C)C2CC=C1\C=C\C(=O)C"	0	""	""	1	1	5916519	""
"136705"	"136705"	"xanthinin"	"CC1CC2OC(=O)C(=C)C2CC=C1C(CC(=O)C)OC(=O)C"	0	""	""	2	2	160533	""
"136718"	"136718"	"Vermeerin"	"C[C@@H]1C[C@@H]2OC(=O)C(=C)C2C[C@]3(C)COC(=O)C[C@@H]13"	0	NA	NA	1	1	NA	"16983236"
"136720"	"136720"	"Hymenolide"	"CCOC1OC(O)CC2C(C)CC3OC(=O)C(=C)C3CC12C"	0	""	""	2	2	282785	""
"136722"	"136722"	"paucin"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]3(C)[C@H]1[C@H](CC3=O)OC4OC(COC(=O)C)C(O)C(O)C4O"	0	""	""	2	2	282787	""
"136768"	"136768"	"Cuprimyxin"	"COc1cccc2c1[n+]([O-])c3cccc4O[Cu]5(Oc6cccc7c6n(=O5)c8cccc(OC)c8[n+]7[O-])O=n2c34"	0	""	""	2	2	457682	"28069650"
"136955"	"136955"	"Terameprocol"	"COc1ccc(CC(C)C(C)Cc2ccc(OC)c(OC)c2)cc1OC"	0	""	""	1	1	97616	"5701826"
"137044"	"137044"	""	"CSc1[s+]sc(SC)c1c2ccccc2"	0	NA	NA	1	1	NA	"18260429"
"137049"	"137049"	"Cyto8B7"	"COc1ccc(CCN2C(=O)C=CC2=O)cc1OC"	0	""	""	2	1	282938	"37597196"
"137055"	"137055"	"1-Cyclododecyl-1h-pyrrole-2,5-dione"	"O=C1C=CC(=O)N1C2CCCCCCCCCCC2"	0	""	""	2	2	282944	"53629188"
"137443"	"137443"	"kalamycin"	"CC1OC2CC(=O)OC2C3=C1C(=O)c4c(O)cccc4C3=O"	0	NA	NA	2	2	NA	"11048150"
"137633"	"137633"	"2-Bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline"	"Cc1nc(N)sc1N=Nc2ccccc2Br"	0	""	""	3	1	283260	"33174935"
"137635"	"137635"	"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine"	"Cc1nc(N)sc1N=Nc2cc(Cl)c(cc2Cl)[N+](=O)[O-]"	0	""	""	1	1	283262	"33175121"
"137679"	"137679"	"6-Selenoguanosine"	"NC1=NC(=[Se])c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	1	1	NA	"29411743"
"137765"	"137765"	"Ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-d..."	"CC1(C)N=C(N)N=C(N)N1c2cccc(CC(=O)Nc3ccccc3)c2"	0	NA	NA	1	1	NA	""
"138144"	"138144"	"2-(9-Octadecenyl)-2-imidazoline-1-ethanol"	"CCCCCCCC\C=C\CCCCCCCCC1=NCCN1CCO"	0	""	""	1	1	5382359	"16058198"
"138320"	"138320"	"Dianemycin"	"COC1CCC(OC2CC(OC3(OC(CC3C)C4OC(O)(CO)C(C)CC4C)C2C)C5(C)CCC6(CC(O)C(C)C(O6)C(C)\C=C(/C)\C(=O)C(C)CC(C)C(=O)O)O5)OC1C"	0	""	""	2	2	5475287	"35865339"
"138333"	"138333"	"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate"	"CC(=O)OCC1C(COC1=O)C(=O)N2Cc3cc4ccccc4nc3C2"	0	""	""	4	4	283490	""
"138389"	"138389"	"4-(Chloroacetyl)-6,7-dimethyl-3,4-dihydroquinoxalin-2(1h)-one"	"Cc1cc2NC(=O)CN(C(=O)CCl)c2cc1C"	0	""	""	1	1	283529	""
"138425"	"138425"	"Kinamycin C"	"CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@](C)(O)[C@H](OC(=O)C)C2=C1C3=C(C(=O)c4c(O)cccc4C3=O)C2=[N+]=[N-]"	0	NA	NA	4	2	NA	"35303083"
"138429"	"138429"	"Cytosine, 1-.beta.-D-arabinofuranosyl-, 2',3',5'-tributy..."	"CCCC(=O)OCC1OC(C(OC(=O)CCC)C1OC(=O)CCC)N2C=CC(=NC2=O)N"	0	""	""	2	2	283562	"34409159"
"138756"	"138756"	"2-((2,4,7-Trichloro-9H-fluoren-9-yl)amino)ethanol"	"OCCNC1c2cc(Cl)ccc2c3c(Cl)cc(Cl)cc13"	0	""	""	1	1	283705	""
"138780"	"138780"	"insariotoxin"	"CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](OC3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@@]34CO4)C=C1C"	0	NA	NA	2	1	NA	"21259201"
"138783"	"138783"	"Bendamustine"	"Cn1c(CCCC(=O)O)nc2cc(ccc12)N(CCCl)CCCl"	0	"A2|A6|AlkAg"	"FDA approved"	3	1	77082	"3543757"
"139021"	"139021"	"1-(2-thiazoylazo)-2-naphthol"	"Oc1ccc2ccccc2c1N=Nc3nccs3"	0	""	""	2	2	93572	"1147564"
"139049"	"139049"	"Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoeth..."	"NCCSC1(O)C(=O)c2ccccc2c3ccccc13"	0	""	""	2	1	212513	"24394556"
"139105"	"139105"	"Soluble Baker's Antifol"	"CN(C)C(=O)c1cccc(COc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)c1"	0	"Ds|Rs"	""	14	12	38777	"41191042"
"139109"	"139109"	"(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide"	"Cc1cccc(NC(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])c1"	0	""	""	2	1	5351237	"31191216"
"139235"	"139235"	"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)"	"O=C(c1ccccc1)c2nnc(nn2)C(=O)c3ccccc3"	0	""	""	1	1	283962	"14141629"
"139240"	"139240"	"3-Benzyl-5-phenyl-1H-pyrazole"	"C(c1ccccc1)c2cc([nH]n2)c3ccccc3"	0	""	""	1	1	283965	"21917997"
"139346"	"139346"	"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione"	"CC1=C(N2CC2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	283978	"49861167"
"139484"	"139484"	"Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccc(cc3nc4c(C)cccc24)[N+](=O)[O-]"	0	""	""	2	2	12323851	"59987972"
"139490"	"139490"	"Emofolin Sodium"	"CN1C(CCNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)CNc3nc(N)nc(O)c13"	0	NA	NA	9	6	NA	"52386422"
"139727"	"139727"	"(Z)-3-(2-Methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one"	"COc1ccccc1\C=C\C(=O)C2COCN2"	0	""	""	1	1	54606380	""
"139948"	"139948"	"1,3-Dinitro-10H-phenoxazine"	"[O-][N+](=O)c1cc2Oc3ccccc3Nc2c(c1)[N+](=O)[O-]"	0	""	""	1	1	3824594	"26103322"
"140025"	"140025"	"3'-fluorothymidine"	"CC1=CN(C2CC(F)C(CO)O2)C(=O)NC1=O"	0	NA	NA	1	1	NA	"25526936"
"140364"	"140364"	"WR 122455"	"OC(C1CCCCN1)c2cc3ccc(cc3c4cc(ccc24)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	161868	""
"140377"	"140377"	"arnebin"	"CC(=CCC(OC(=O)C=C(C)C)c1cc(O)c2C(=O)C=CC(=O)c2c1O)C"	0	""	""	7	6	32465	"23444704"
"140380"	"140380"	"Ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-dia..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(OCC(=O)N3CCOCC3)c(Cl)c2"	0	""	""	1	1	284536	"50507910"
"140701"	"140701"	"4'-(9-acridinylamino)sulfanilanilide, monohydrochloride"	"Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc5ccccc35)cc2"	0	NA	NA	6	6	NA	"57164611"
"140873"	"140873"	"2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acet..."	"NCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccc[nH]2"	0	""	""	2	2	284708	"106410133"
"140911"	"140911"	"Isothiocyanic acid, sulfonyldi-m-phenylene ester"	"O=S(=O)(c1cccc(c1)N=C=S)c2cccc(c2)N=C=S"	0	""	""	1	1	284731	"40939762"
"141046"	"141046"	"Clofazimine"	"CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	NA	NA	2	1	NA	"2030639"
"141057"	"141057"	"7-Amino-1-fluoro-9h-fluoren-9-one"	"Nc1ccc2c(c1)C(=O)c3c(F)cccc23"	0	""	""	1	1	284793	""
"141103"	"141103"	"4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride"	"CN(C)Cc1cc(cc(C2CCCCC2)c1O)C(C)(C)C"	0	""	""	1	1	24192538	""
"141257"	"141257"	"4-Carbamoyl-1-dodecylpyridin-1-ium bromide"	"CCCCCCCCCCCC[n+]1ccc(cc1)C(=O)N"	0	""	""	1	1	14143619	"83350565"
"141313"	"141313"	"STK732196"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1C"	0	""	""	1	1	284925	"4572592"
"141350"	"141350"	"Bis(4-methoxyphenyl)iodanium;hydrobromide"	"COc1ccc([I+]c2ccc(OC)cc2)cc1"	0	""	""	2	2	54610326	"57422090"
"141351"	"141351"	"(4-Methoxyphenyl)-phenyliodanium;2,2,2-trifluoroacetate"	"COc1ccc([I+]c2ccccc2)cc1"	0	""	""	2	2	21910132	"330881"
"141523"	"141523"	"platinum, diamminedibromo-, cis- (8ci)"	"N[Pt](N)(Br)Br"	0	NA	NA	2	2	NA	"15978913"
"141527"	"141527"	"1-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole"	"CC1=NCCc2cc3[nH]c4ccccc4c3cc12"	0	""	""	5	2	284986	""
"141537"	"141537"	"anguidin"	"CC(=O)OCC12CCC(=CC1OC3C(O)C(OC(=O)C)C2(C)C34CO4)C"	0	NA	NA	23	4	NA	"2270408"
"141538"	"141538"	"Ovalicine subst."	"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CC=C(C)C"	0	""	""	1	1	284995	""
"141539"	"141539"	"Dihydroovalicine subst."	"COC1C(=O)CCC2(CO2)C1(O)C3(C)OC3CCC(C)C"	0	""	""	1	1	284996	""
"141540"	"141540"	"Etoposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26"	0	"TOP2"	"FDA approved"	49	34	NA	"33419420"
"141545"	"141545"	"suavedol"	"COc1cc2CCN(C)C3CC4(C=CC(=O)C=C4)c(c1O)c23"	0	NA	NA	1	1	NA	"6808726"
"141549"	"141549"	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	NA	"54301154"
"141562"	"141562"	"1-[(2-methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniat..."	"Cc1nc2ccccc2cc1C[N+]34CN5CN(CN(C5)C3)C4"	0	NA	NA	1	1	NA	""
"141633"	"141633"	"Homoharringtonine"	"COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	"Apo|Ang|Pi"	"FDA approved"	10	5	NA	"26833874"
"141634"	"141634"	"isoharringtonine"	"COC(=O)[C@@H](O)[C@](O)(CCC(C)C)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	""	""	2	1	73492	"26833863"
"142053"	"142053"	"1-Methyl-6H-pyrido[4,3-b]carbazole"	"Cc1nccc2cc3[nH]c4ccccc4c3cc12"	0	""	""	1	1	285249	""
"142055"	"142055"	"1-Butyl-5-methyl-2H-pyrido[4,3-b]carbazole"	"CCCCc1nccc2c(C)c3[nH]c4ccccc4c3cc12"	0	""	""	5	2	285250	""
"142226"	"142226"	"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide"	"ON(C(=O)C(Cl)Cl)c1ccccc1OCc2ccccc2"	0	""	""	1	1	285364	"34287984"
"142227"	"142227"	"geiparvin"	"C\C(=C/COc1ccc2C=CC(=O)Oc2c1)\C3=CC(=O)C(C)(C)O3"	0	NA	NA	7	2	NA	"36413919"
"142269"	"142269"	"N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea"	"CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1"	0	""	""	1	1	285402	""
"142475"	"142475"	"J3.628.409I"	"BrC1=CC2(CCC(=O)O2)C=C(Br)C1=O"	0	""	""	2	2	285494	"90792646"
"142480"	"142480"	"4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione"	"Clc1c(Cl)c(Cl)c2NC(=S)Nc2c1Cl"	0	""	""	1	1	5041204	"18392422"
"142493"	"142493"	"N-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)N\N=C\c2cc(Br)ccc2O)cc1"	0	""	""	1	1	135545714	""
"142543"	"142543"	"9H-Fluoren-2-amine, N,N-bis(2-bromoethyl)- (9CI)"	"BrCCN(CCBr)c1ccc2c(Cc3ccccc23)c1"	0	NA	NA	1	1	NA	"6036926"
"142587"	"142587"	"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione"	"CCCn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	285581	"93733074"
"143019"	"143019"	"methanediamine, n,n'-bis(1,3,4-thiadiazol-2-yl)-"	"C(Nc1nncs1)Nc2nncs2"	0	""	""	1	1	97676	"26907379"
"143020"	"143020"	"Mithramycin"	"O=C1c2c(CC(C1OC1CC(OC3CC(OC4CC(C)(C(C(O4)C)O)O)C(C(O3)C)O)C(C(O1)C)O)C(C(=O)C(C(C)O)O)OC)cc1c(c2O)c(c(c(c1)OC1CC(OC2CC(C(C(O2)C)O)O)C(C(C)O1)O)C)O"	0	"Db|Rs"	"FDA approved"	5	4	NA	"62345817"
"143093"	"143093"	"Acetylkidamycin"	"COC1(OC(=O)C)c2c3OC(=CC(=O)c3c(C)cc2C(=O)c4c(cc(C5CC(C)(C(OC(=O)C)C(C)O5)N(C)C)c(O)c14)C6CC(C(OC(=O)C)C(C)O6)N(C)C)\C(=C\C)\C"	0	NA	NA	2	2	NA	"39293248"
"143095"	"143095"	"Pyrazofurin"	"NC(=O)c1[nH]nc(C2OC(CO)C(O)C2O)c1O"	0	"Ds|Rs"	""	12	11	NA	"30868305"
"143099"	"143099"	"2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7..."	"OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2OC1c6ccc(O)c(O)c6"	0	""	""	1	1	130556	"15514064"
"143102"	"143102"	"Methanesulfonamide, N-[4-[(3-chloro-9-acridinyl)amino]ph..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(Cl)ccc24)cc1"	0	""	""	2	2	12999171	"53251028"
"143103"	"143103"	"Methanesulfonamide, N-[4-[(3-methoxy-9-acridinyl)amino]p..."	"COc1ccc2c(Nc3ccc(NS(=O)(=O)C)cc3)c4ccccc4nc2c1"	0	""	""	2	2	12999166	"53250934"
"143106"	"143106"	"Pentanamide, N-(methylsulfonyl)-N-[4-[(3-nitro-9-acridin..."	"CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1)S(=O)(=O)C"	0	""	""	2	2	21144481	""
"143108"	"143108"	"cyclic dibutyryl amp"	"CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC"	0	NA	NA	2	1	NA	"362743"
"143147"	"143147"	"Urea, 1,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chlor..."	"ClCCN(N=O)C(=O)NC1CCC(CC2CCC(CC2)NC(=O)N(CCCl)N=O)CC1"	0	""	""	3	2	285728	"33024350"
"143241"	"143241"	"Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1..."	"CCOC(=O)N1CCc2cc(OC)c(OC)c3c4cc(OC)c(OC)cc4cc1c23"	0	""	""	6	2	285758	"7630720"
"143342"	"143342"	"Cyto4F10"	"O\N=C/1\C=C\C(=C(\C#N)/c2ccccc2)\C=C1Br"	0	""	""	1	1	5715129	""
"143343"	"143343"	"N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide"	"COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2ccc(cc2)N(C)C"	0	""	""	2	2	6158638	"39229613"
"143346"	"143346"	"STK387357"	"CCOC(=O)C1=C(C)NC(=C(C1c2ccc(Cl)cc2)C(=O)OCC)C"	0	""	""	1	1	285815	"35929794"
"143471"	"143471"	"AF 05"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(\C=N\OC(c5ccccc5)c6ccccc6)c(O)c4c3C2=O"	0	NA	NA	2	1	NA	"38330153"
"143491"	"143491"	"daunorubicin oxime hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N/O)\C"	0	NA	NA	4	4	NA	"34610601"
"143532"	"143532"	"Bis(2-methoxy-4-methylphenyl)methanone"	"COc1cc(C)ccc1C(=O)c2ccc(C)cc2OC"	0	""	""	1	1	285885	""
"143647"	"143647"	"dl-alanosine"	"NC(CN(O)N=O)C(=O)O"	0	NA	NA	1	1	NA	"5854955"
"143648"	"143648"	"Sangivamycin Hydrochloride"	"NC(=O)c1cn(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	NA	NA	13	3	NA	"21090357"
"143677"	"143677"	""	"OC(=O)\C(=C/c1ccncc1)\c2cccc3ccccc23"	0	NA	NA	1	1	NA	""
"143925"	"143925"	"pekilocerin a"	"CC1CC(O)C(=O)C(O[C@@H]2C[C@@H]3CC[C@@H]4[C@H](CC[C@]5(C)C(CC[C@]45O)C6=CC(=O)OC6)[C@]3(C[C@H]2O)C=O)O1"	0	NA	NA	2	1	NA	"1986705"
"144033"	"144033"	"NE35323"	"c1ccc2c(cccc2c1)c3nc4ccccc4[nH]3"	0	""	""	1	1	286183	"2562814"
"144054"	"144054"	"Picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone"	"CN(C)c1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	9555761	"31181518"
"144055"	"144055"	"Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]m..."	"CC(=O)Oc1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	9555726	"28321280"
"144126"	"144126"	""	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C)c(\C=N\Nc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c(O)c4c3C2=O"	0	NA	NA	1	1	NA	""
"144152"	"144152"	"eriolanin"	"CC(CCCO)C1=C(CO)CC2OC(=O)C(=C)C2C1OC(=O)C(=C)C"	0	NA	NA	1	1	NA	""
"144153"	"144153"	"datiscoside"	"CC1OC(O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C[C@H](O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@H]2[C@@](C)(O)C(=O)\C=C\C(C)(C)O)C(OC(=O)C)C(=O)C1O"	0	NA	NA	8	4	NA	"36067568"
"144163"	"144163"	"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-"	"Clc1ccc2nc(CI)c(CI)nc2c1"	0	""	""	2	2	286252	"3298871"
"144168"	"144168"	"2(1H)-Quinoxalinone, 3-(bromomethyl)-"	"BrCC1=Nc2ccccc2NC1=O"	0	""	""	3	3	286254	"62235614"
"144173"	"144173"	"Quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-"	"COc1ccc2nc(CI)c(CI)nc2c1"	0	""	""	3	3	286257	"32602087"
"144177"	"144177"	"Quinoxaline, 2-chloro-3-(iodomethyl)-"	"Clc1nc2ccccc2nc1CI"	0	""	""	2	2	286258	"32601926"
"144198"	"144198"	"(2E)-2-[(4Z)-5-Bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile"	"O\N=C/1\C=C(Cl)\C(=C(\C#N)/c2cccc3ccccc23)\C=C1Br"	0	""	""	1	1	54610169	""
"144295"	"144295"	"Propionamide, 2,3-dibromo-"	"NC(=O)C(Br)CBr"	0	""	""	2	2	85798	"15102428"
"144302"	"144302"	"4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylid..."	"COc1ccc(\C=C\2/CS(=O)(=O)C\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	""	""	2	2	6310035	"61448815"
"144303"	"144303"	"4H-Thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)me..."	"[O-][N+](=O)c1ccc(\C=C/2\CS(=O)(=O)C\C(=C\c3ccc(cc3)[N+](=O)[O-])\C2=O)cc1"	0	""	""	3	2	6477008	""
"144310"	"144310"	"4H-Thiopyran-4-one, 3,5-bis[(3,4-dimethoxyphenyl) methyl..."	"COc1ccc(\C=C/2\CSC\C(=C/c3ccc(OC)c(OC)c3)\C2=O)cc1OC"	0	NA	NA	3	2	NA	""
"144470"	"144470"	"WLN: T66 BNJ BO C1 ENW"	"Cc1cc(c2ccccc2[n+]1[O-])[N+](=O)[O-]"	0	NA	NA	2	2	NA	"4831623"
"144694"	"144694"	""	"NC(=O)\C(=C/c1ccncc1)\c2cccc3ccccc23"	0	NA	NA	1	1	NA	""
"144698"	"144698"	""	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3C(F)(F)F)C(=O)NC(CCC(=O)O)C(=O)O"	0	NA	NA	2	2	NA	""
"144872"	"144872"	"isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-"	"CS(=O)(=O)c1nc(Cl)c(Cl)c(C#N)c1Cl"	0	""	""	7	4	97694	"35597821"
"144988"	"144988"	"Furazan, di-p-anisoyl-, 2-oxide"	"COc1ccc(cc1)C(=O)c2no[n+]([O-])c2C(=O)c3ccc(OC)cc3"	0	""	""	2	2	286532	"40499783"
"145016"	"145016"	"furazan, bis(p-chlorobenzoyl)-, monooxide (8ci)"	"[O-][n+]1onc(C(=O)c2ccc(Cl)cc2)c1C(=O)c3ccc(Cl)cc3"	0	""	""	2	2	286557	"21443481"
"145150"	"145150"	"u 36699"	"CC1C2C=C(C3COC(=O)C(=C)C23C=C1C)C(=O)O"	0	""	""	6	2	286636	"70857522"
"145168"	"145168"	"Maleimide, N-(1-hydroxyacetonyl)-"	"CC(=O)C(O)N1C(=O)C=CC1=O"	0	""	""	5	2	286651	"66234842"
"145219"	"145219"	"1,2,5-Triphenylpentane-1,5-dione"	"O=C(CCC(C(=O)c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	286676	"58337987"
"145611"	"145611"	"Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-"	"CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)C(C)[C@@H](O)C(C)[C@H](OC(=O)C)[C@@H]1C)\C)c(CN5CCN(C)CC5)c(O)c4c3C2=O"	0	NA	NA	2	2	NA	"4075449"
"145668"	"145668"	"Ancitabine hydrochloride"	"OCC1OC2C(OC3=NC(=N)C=CN23)C1O"	0	"Ds"	"FDA approved"	10	7	NA	"10212256"
"145669"	"145669"	"4(1h)-quinazolinone, 2,3-dihydro-2-(1-naphthyl)- (8ci)"	"O=C1NC(Nc2ccccc12)c3cccc4ccccc34"	0	""	""	3	2	286701	"31785601"
"145801"	"145801"	"Mercury, tetrakis(acetato)(2,3,4,5-thiophenetetrayl)tetra-"	"CC(=O)O[Hg]c1sc([Hg]OC(=O)C)c([Hg]OC(=O)C)c1[Hg]OC(=O)C"	0	""	""	1	1	16683745	"40600575"
"145904"	"145904"	"Ivalbin"	"CC(O)CC(O)C1=CCC2C(CC1C)OC(=O)C2=C"	0	""	""	2	2	286755	"7544652"
"146067"	"146067"	"malonatodiammineplatinum(ii)"	"N[Pt]1(N)OC(=O)CC(=O)O1"	0	NA	NA	2	1	NA	"38780437"
"146109"	"146109"	"Pseudourea, 2-[(10-methyl-9-anthryl)methyl]-2-thio-, mon..."	"Cc1c2ccccc2c(CSC(=N)N)c3ccccc13"	0	NA	NA	2	2	NA	"59474010"
"146208"	"146208"	"zorbamycin, dihydrochloride"	"[C@H]([C@H](NC(=O)c1nc([C@@H](NC[C@@H](C(=O)N)N)CC(=O)N)nc(c1C)N)C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCC1=N[C@H](CS1)c1nc(cs1)C(=O)NCCC(=N)N)[C@](C)(C)O)C)O)CCO)(O[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)N)[C@@H]([C@H](O2)CO)O)[C@@H](O)[C@@H]([C@@H](O1)C)O)c1cnc[nH]1"	0	"DDI|RDI"	""	6	5	NA	"11056205"
"146267"	"146267"	"Adiantifoline"	"COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc4cc5CC6N(C)CCc7c(OC)c(OC)c(OC)c(c5cc4OC)c67)cc1OC"	0	NA	NA	2	2	NA	""
"146268"	"146268"	"as-Triazine-3,5(2H,4H)-dione, 2-.beta.-D-ribofuranosyl-3..."	"OCC1OC(C(O)C1O)N2N=CC(=O)NC2=S"	0	NA	NA	4	4	NA	"27089561"
"146374"	"146374"	"2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-"	"ClCC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	1	287004	"13605668"
"146377"	"146377"	"Carbohydrazide, 1-(2-pyridylmethylene)-3-thio-, dihydroc..."	"NNC(=S)N\N=C\c1ccccn1"	0	""	""	1	1	54610180	""
"146396"	"146396"	"nitidine, methoxydihydro"	"COC1N(C)c2c(ccc3cc4OCOc4cc23)c5cc(OC)c(OC)cc15"	0	NA	NA	7	6	NA	"41349331"
"146397"	"146397"	"nitidine, chloride (8ci)"	"COc1cc2c[n+](C)c3c4cc5OCOc5cc4ccc3c2cc1OC"	0	""	""	3	3	25659	"13063042"
"146557"	"146557"	"N-[4-(4-Bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide"	"Cc1ccc(C)c(c1)N2\C(=N\C(=O)c3ccccc3F)\SC=C2c4ccc(Br)cc4"	0	""	""	1	1	287145	""
"146604"	"146604"	"5-fur"	"OCC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	7	4	NA	"316461"
"146769"	"146769"	"4-Nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide"	"[O-][N+](=O)c1ccc(cc1)C(=O)Nc2ccc(Nc3ccncc3)cc2"	0	""	""	2	1	4261343	"23552718"
"146771"	"146771"	"4-(6-nitroquinolin-4-ylamino)-N-(4-(pyridin-4-yl-amino)p..."	"[O-][N+](=O)c1ccc2nccc(Nc3ccc(cc3)C(=O)Nc4ccc(Nc5ccncc5)cc4)c2c1"	0	""	""	1	1	4532204	"50440307"
"146848"	"146848"	"AK174100"	"OC(=O)c1cccc(COc2ccc(cc2Cl)[N+](=O)[O-])c1"	0	""	""	1	1	287272	"30880729"
"146865"	"146865"	""	"COc1cc2ccc(cc2cc1OC)\C(=N\OC(=O)C)\C"	0	NA	NA	1	1	NA	""
"147811"	"147811"	"6,7-Dimethoxyisoquinoline-1-carbaldehyde"	"COc1cc2ccnc(C=O)c2cc1OC"	0	""	""	1	1	287724	"71046350"
"148077"	"148077"	""	"CCOC1=S[Pt+2]2([SH-]C(=S2)OCC)[SH-]1"	0	NA	NA	1	1	NA	""
"148180"	"148180"	"Sab hydrazone"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2"	0	""	""	1	1	135400584	"3232379"
"148290"	"148290"	"Alanine, N-2-thenylidene-3-(tritylthio)-, compd. with di..."	"OC(=O)C(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)\N=C\c4cccs4"	0	""	""	3	2	422867	""
"148339"	"148339"	"Fixanol VR"	"CCCCCCCCCCCCCC[n+]1ccccc1"	0	""	""	2	2	62379	"1155744"
"148484"	"148484"	"2-{[4-(Bromoacetyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl]methyl}-1h-isoindole-1,3(2h)-dione"	"CN1C(=CC(=C(CN2C(=O)c3ccccc3C2=O)C1=O)C(=O)CBr)C"	0	""	""	1	1	288059	""
"148596"	"148596"	"1,4-Naphthalenedione, 2-[(2-hydroxyethyl)thio]-"	"OCCSC1=CC(=O)c2ccccc2C1=O"	0	NA	NA	1	1	NA	"83293770"
"148790"	"148790"	"olendrigenin"	"CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"465156"
"148823"	"148823"	"n-methylpavin"	"COc1cc2CC3N(C)C(Cc4cc(OC)c(OC)cc34)c2cc1OC"	0	NA	NA	1	1	NA	"6901162"
"148958"	"148958"	"Tegafur"	"FC1=CN([C@H]2CCCO2)C(=O)NC1=O"	0	"Df"	"FDA approved"	14	2	NA	"37076689"
"149286"	"149286"	"1,4-Pentadien-3-one, 1,5-di-3-pyridyl-"	"O=C(\C=C\c1cccnc1)\C=C\c2cccnc2"	0	""	""	2	2	5382674	"3939046"
"149501"	"149501"	"Bleomycin A5, sulfate"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCN.OS(=O)(=O)O"	0	NA	NA	2	2	NA	""
"149583"	"149583"	"Adriamycin nicotinate"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)c6cccnc6"	0	""	""	2	2	24193195	"51898409"
"149584"	"149584"	"Adriamycin octanoate"	"CCCCCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	NA	NA	2	2	NA	"51898396"
"149585"	"149585"	"Adriamycin benzoate"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)COC(=O)c6ccccc6"	0	""	""	2	2	24193199	"41962281"
"149692"	"149692"	"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one"	"O=C1c2ccsc2c3cccc4cccc1c34.O=C5c6cccc7cccc(c8ccsc58)c67"	0	""	""	1	1	288480	""
"149765"	"149765"	"primaquine phosphate"	"COc1cc(NC(C)CCCN)c2ncccc2c1"	0	NA	NA	2	2	NA	"63456"
"149849"	"149849"	"1-[(E)-styryl]-9H-beta-carboline"	"C(=C\c1nccc2c3ccccc3[nH]c12)/c4ccccc4"	0	""	""	1	1	5382687	""
"149967"	"149967"	"Methyl 4-amino-4-oxobut-2-ynoate"	"COC(=O)C#CC(=O)N"	0	""	""	2	1	288678	"63424588"
"150014"	"150014"	"HYDRAZINE SULFATE"	"NN"	0	NA	NA	8	4	NA	"10034932"
"150080"	"150080"	"2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol"	"CN1CCCN(C)C1c2cc(ccc2O)[N+](=O)[O-]"	0	""	""	1	1	288749	""
"150094"	"150094"	"1-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-"	"O=C1C2CCN(CC2)C1CN3CCOCC3"	0	""	""	3	2	288759	"41971486"
"150117"	"150117"	""	"O=C1\C(=C/c2ccccc2)\C(NC3CCCCC3)c4ccccc14"	0	NA	NA	2	2	NA	""
"150169"	"150169"	"CBMicro_028526"	"OC(=O)C(CC(=O)c1ccccc1)N2CCOCC2"	0	""	""	1	1	288825	"21813616"
"150220"	"150220"	"T5741887"	"[O-][N+](=O)c1ccccc1\C=C\2/Cc3ccccc3C2=O"	0	""	""	1	1	2697149	"68063183"
"150289"	"150289"	"2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone"	"[O-][N+](=O)c1ccc(cc1)C(=O)C(Br)C(Br)c2ccnc3ccccc23"	0	""	""	2	2	288920	""
"150290"	"150290"	""	"[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccnc3ccccc23"	0	NA	NA	2	2	NA	"93656305"
"150311"	"150311"	"2-Propenone, 1-(4-bromophenyl)-2-(4-morpholinylmethyl)-3..."	"Brc1ccc(cc1)C(=O)\C(=C/c2ccccc2)\CN3CCOCC3"	0	""	""	2	1	24193247	""
"150347"	"150347"	"1(4H)-Naphthalenone, 2-[.alpha.-(tert-butylamino)benzyl]..."	"CC(C)(C)NC(C1=CC(C)(C)c2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	288969	"15982544"
"150412"	"150412"	"7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile"	"CC(=CCNc1ncnc2c1c(cn2C3OC(CO)C(O)C3O)C#N)C"	0	""	""	2	2	289018	"52443159"
"150432"	"150432"	"2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol"	"OCCNc1nc2c(cc(Cl)cc2c3ccccc13)[N+](=O)[O-]"	0	""	""	2	2	289037	""
"150440"	"150440"	"Methanesulfonamide, N-[3-methoxy-4-[(4-methyl-9-acridiny..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c(C)cccc24"	0	""	""	2	2	148552	"51963587"
"150446"	"150446"	"Berberine iodide"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	""	""	1	1	72350	"4263847"
"150527"	"150527"	"fluderma"	"CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC(=C5C=C(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C)OCCCl)C=O"	0	NA	NA	1	1	NA	"2825607"
"150554"	"150554"	"4,6-Diphenyl-1,3,5-thiadiazinane-2-thione"	"S=C1NC(NC(S1)c2ccccc2)c3ccccc3"	0	""	""	1	1	3701777	"53983189"
"150555"	"150555"	"mecal"	"S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3"	0	""	""	2	2	67686	"350129"
"150837"	"150837"	"3-(Diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride"	"CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(O)c4ccccc4c(O)c3C(=O)c12"	0	""	""	1	1	54600915	""
"150862"	"150862"	"Bleomycin fraction BLM-HPE"	"CC(O)CNCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C4CC(=O)N4CC(N)C(=O)N)C(OC5OC(CO)C(O)C(O)C5OC6OC(CO)C(O)C(OC(=O)N)C6O)c7c[nH]cn7)C(C)O)n2"	0	NA	NA	3	3	NA	""
"150982"	"150982"	"2-(2-Nitrovinyl)-1H-indole"	"[O-][N+](=O)\C=C\c1cc2ccccc2[nH]1"	0	""	""	2	2	5382764	"14255186"
"151060"	"151060"	"1-Tetradecylpyridin-1-ium-4-carboxamide;bromide"	"CCCCCCCCCCCCCC[n+]1ccc(cc1)C(=O)N"	0	""	""	1	1	24193325	""
"151224"	"151224"	"WLN: I1VMR DE"	"Brc1ccc(NC(=O)CI)cc1"	0	""	""	1	1	28665	"17641042"
"151247"	"151247"	"1-(2,5-Dimethoxyphenyl)-2-nitropropene"	"COc1ccc(OC)c(\C=C(\C)/[N+](=O)[O-])c1"	0	NA	NA	1	1	NA	"18790573"
"151655"	"151655"	"Dihydrogeiparvarim"	"CC(CCOc1ccc2C=CC(=O)Oc2c1)C3=CC(=O)C(C)(C)O3"	0	""	""	1	1	289493	"16850990"
"151888"	"151888"	"4-[(E)-2-(6-Ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline"	"CCCN(CCC)c1ccc(\C=C\c2ccc3cc(OCC)ccc3n2)cc1"	0	""	""	1	1	6300604	""
"151980"	"151980"	"4-Quinolinol, 7-methoxy-2-phenyl-"	"COc1ccc2c(O)cc(nc2c1)c3ccccc3"	0	""	""	2	2	289743	""
"151982"	"151982"	"REGID_for_CID_289745"	"COc1cc(NC2CCCCC2O)c3nc(ccc3c1)c4ccc(Cl)cc4"	0	""	""	1	1	289745	""
"152731"	"152731"	"6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(oxiranylmeth..."	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CC5CO5"	0	""	""	5	4	290108	""
"153175"	"153175"	"cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoa..."	"OC(=O)[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	2	1	NA	"42558941"
"153325"	"153325"	"AB07325"	"Clc1nc(Cl)c2c3CCCCc3sc2n1"	0	""	""	2	2	290234	"40277358"
"153330"	"153330"	"CBMicro_004985"	"CC1=NC(=O)c2c3CCCCc3sc2N1"	0	""	""	1	1	209395	"19819159"
"153353"	"153353"	"L-Alanosine"	"NC(CN(O)N=O)C(=O)O"	0	"Ds|Rs"	""	15	14	NA	"59163416"
"153533"	"153533"	""	"COc1cc2CCN=C(CCN)c2cc1OC"	0	NA	NA	2	2	NA	"93428729"
"153582"	"153582"	""	"CC12C(=C(C(c3ccccc13)[n+]4ccccc24)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	"32865477"
"153625"	"153625"	"3-Phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine"	"C1N2C(NN=C1c3ccccc3)c4ccccc4c5ccccc25"	0	""	""	1	1	290348	"30589458"
"153858"	"153858"	"MAYTANSINE"	"CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)C)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4"	0	"TUBB"	""	39	15	NA	"35846538"
"154020"	"154020"	"triciribine"	"CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24"	0	"PK:AKT1"	""	4	4	NA	"35943352"
"154318"	"154318"	"Methanesulfon-m-anisidide, 4'-[(3-chloro-5-methoxy-9-acr..."	"COc1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3OC)c4ccc(Cl)cc4nc12"	0	""	""	2	2	290525	""
"154572"	"154572"	"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol"	"Oc1ccc(CCNCc2cc3OCOc3cc2Br)cc1"	0	""	""	1	1	290548	"34315372"
"154652"	"154652"	"(E)-2,4-Diphenylbut-3-enoic acid"	"OC(=O)C(\C=C\c1ccccc1)c2ccccc2"	0	""	""	1	1	5458329	"2294908"
"154751"	"154751"	"Urea, N'-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-"	"CN(C)C(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1"	0	""	""	2	2	290653	""
"154756"	"154756"	"4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxy-2,5-xylyl)-"	"COc1cc(C)c(cc1C)C2NC(=O)c3ccccc3N2"	0	""	""	3	2	290655	""
"154829"	"154829"	"7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-(hydrox..."	"OCC1OC(C(O)C1O)n2cc(C(=N)NO)c3\C(=N\O)\NC=Nc23"	0	NA	NA	2	2	NA	"57071837"
"154890"	"154890"	"coralyne sulfoacetate"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC.OS(=O)(=O)CC(=O)[O-]"	0	NA	NA	3	3	NA	"38989376"
"154894"	"154894"	"4-[(3-Chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline"	"ClCCCN(CCCCl)c1ccc(\C=N\c2cccc(Cl)c2)cc1"	0	""	""	3	2	24193638	"60625481"
"154896"	"154896"	"4-((3-chlorophenylimino)methyl)-N,N-bis-(3-chloropropyl)..."	"Cc1cc(ccc1\C=N\c2cccc(Cl)c2)N(CCCCl)CCCCl"	0	""	""	1	1	24193640	"60625505"
"154948"	"154948"	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	148674	"54301165"
"154966"	"154966"	"Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate"	"NCOC(=O)Cc1ccc(Br)cc1"	0	""	""	1	1	290763	""
"155556"	"155556"	"Hydrocinnamaldehyde, .alpha.,.beta.-dibromo-"	"BrC(C=O)C(Br)c1ccccc1"	0	""	""	2	2	151715	"62248402"
"155594"	"155594"	"4-Nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline"	"Nc1ccc(cc1\N=C\C=C\c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	6050084	""
"155595"	"155595"	"NCIMech_000043"	"Clc1ccc2NC(CC(Nc2c1)c3ccccc3)C#N"	0	""	""	2	2	291072	""
"155619"	"155619"	"Melampodin"	"COC(=O)\C\1=C\C2OC2\C(=C\C3OC(=O)C(=C)C3C(OC(=O)C4(C)OC4C)C1O)\C"	0	NA	NA	1	1	NA	"35852267"
"155693"	"155693"	"9-methoxy-2-methylellipticinium iodide"	"COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	18	18	3086380	"93841500"
"155694"	"155694"	"9-Methoxy-2,6-dimethylellipticinium iodide"	"COc1ccc2c(c1)c3c(C)c4c[n+](C)ccc4c(C)c3n2C"	0	NA	NA	8	7	NA	""
"156215"	"156215"	"Streptovaricin B"	"COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\[C@@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(=O)C)\C"	0	NA	NA	1	1	NA	"11031826"
"156218"	"156218"	"Streptovaricin F"	"CC1C(O)C2C(O)C(C)C(OC2=O)C(C)(O)\C=C\C=C(/C)\C(=O)Nc3c(C)c(OC(=O)C)c4C5=C(OCOC5=C(C)C(=O)c4c3O)\C(=C/C(C)(O)C1O)\C"	0	NA	NA	1	1	NA	"35512379"
"156265"	"156265"	""	"CN1CCC2(CC1)SSC3(CCN(C)CC3)S2"	0	NA	NA	1	1	NA	"93256156"
"156302"	"156302"	"methanesulfonamide, n-[3-methoxy-4-[(4-methyl-9-acridiny..."	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c(C)cccc24"	0	""	""	2	2	12254669	"57164757"
"156303"	"156303"	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	NA	"54301165"
"156305"	"156305"	"Methanesulfonamide, N-[4-(9-acridinylamino)phenyl]-, met..."	"CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	7	6	148869	""
"156306"	"156306"	"o-AMSA monomethanesulfonate"	"COc1cc(Nc2c3ccccc3nc4ccccc24)ccc1NS(=O)(=O)C"	0	""	""	1	1	148799	"57164860"
"156310"	"156310"	"Acetic acid, rhodium salt (4:2)"	"CC1=[O][Rh]234OC(=[O][Rh]2(OC(=[O]3)C)(O1)[O]=C(C)O4)C"	0	""	""	1	1	423677	"15956282"
"156311"	"156311"	"Rhodium(1+), dichlorotetrakis(pyridine)-, chloride, pent..."	"Cl[Rh](Cl)(N1CCCCC1)(N2CCCCC2)(N3CCCCC3)N4CCCCC4"	0	NA	NA	1	1	NA	"14077306"
"156526"	"156526"	"Anthra[1,9-bc]thiopyranium, 1-methyl-3-phenyl-, chloride"	"CC1=C[S+](c2ccccc2)c3cccc4cc5ccccc5c1c34"	0	""	""	2	2	24193713	"41135006"
"156529"	"156529"	"1H-Anthra[1,9-bc]thiophenium, 6-methyl-2-phenyl-10-(phen..."	"Cc1c2cccc(Sc3ccccc3)c2c4C[S+](c5ccccc5)c6cccc1c46"	0	""	""	2	2	5458338	"41134887"
"156565"	"156565"	"Anthraquinone, 1-hydroxy-4-[p-(2-hydroxyethyl)anilino]-"	"OCCc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1"	0	""	""	1	1	291365	"71335869"
"156625"	"156625"	"CORALYNE, NOR, 8-ETHYL"	"CCc1c2cc(OC)c(OC)cc2cc3c4cc(OC)c(OC)cc4cc[n+]13.CC(C(=O)[O-])S(=O)(=O)O"	0	NA	NA	4	3	NA	"51865953"
"156939"	"156939"	"Lomondomycin"	"COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12"	0	""	""	2	2	135426834	"26786845"
"157004"	"157004"	"Nybomycin acetate"	"CN1C(=O)C=C(COC(=O)C)c2cc3C(=CC(=O)N4COc(c12)c34)C"	0	""	""	6	2	291663	"35982888"
"157035"	"157035"	"Parthenolide"	"C\C\1=C\CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1"	0	"Apo"	"FDA approved"	6	2	NA	"20554841"
"157073"	"157073"	"Guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-"	"[O-][N+](=O)NC(=N)N\N=C\c1ccc(Br)cc1"	0	NA	NA	2	2	NA	"41467918"
"157307"	"157307"	"EiM07-30327"	"CC(C)c1ccc(cc1)C(C2=C(O)c3ccccc3OC2=O)C4=C(O)c5ccccc5OC4=O"	0	""	""	2	1	54677783	""
"157365"	"157365"	"carzinostatin"	""	0	""	""	14	2	57125363	"9014022"
"157371"	"157371"	"Phosphonium, (3,5-di-tert-butyl-4-hydroxybenzyl)tripheny..."	"CC(C)(C)c1cc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc(c1O)C(C)(C)C"	0	""	""	2	2	10257261	"62546898"
"157381"	"157381"	"AOCSTDDQEMIYAG-UHFFFAOYSA-N"	"O=C(NNc1ccccc1)OCc2ccccc2"	0	""	""	1	1	291832	"40887056"
"157382"	"157382"	"Pyrocatechol, cyclic arsenite"	"O([As]1Oc2ccccc2O1)[As]3Oc4ccccc4O3"	0	""	""	1	1	291833	"23886579"
"157387"	"157387"	"Mefloquine Hydrochloride"	"O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	2	NA	"51773923"
"157388"	"157388"	"WR 158122"	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3ccc4ccccc4c3"	0	""	""	2	2	98652	"51123832"
"157389"	"157389"	"Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-meth..."	"CCN(CC)CCCC(C)Nc1ccnc(\C=C\c2ccc(Cl)cc2)c1"	0	NA	NA	2	2	NA	"56401888"
"157469"	"157469"	"6,6'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bi..."	"Cc1cc(Cc2c(C)c(C)c(Cc3cc(C)cc(c3O)C(C)(C)C)c(C)c2C)c(O)c(c1)C(C)(C)C"	0	""	""	1	1	291903	"15459048"
"157487"	"157487"	"A822488"	"[O-][N+](=O)c1cc(c(Nc2ccc(Cl)cc2)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	291920	"34749638"
"157725"	"157725"	"1H-1,4-Benzodiazepine-1-acetic acid, 7-chloro-2,3-dihydr..."	"OC(=O)CN1C(=O)CN=C(c2ccccn2)c3cc(Cl)ccc13"	0	""	""	1	1	292106	""
"157839"	"157839"	"2-formylphenylboronic acid"	"OB(O)c1ccccc1C=O"	0	""	""	1	1	292189	"40138167"
"157930"	"157930"	"Sulfonium, tri-p-tolyl-, chloride"	"Cc1ccc(cc1)[S+](c2ccc(C)cc2)c3ccc(C)cc3"	0	NA	NA	3	2	NA	"22417227"
"157995"	"157995"	"Fagaronine chloride"	"COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O"	0	""	""	6	5	40304	"52259640"
"158036"	"158036"	"1,2-benzisothiazoline-3-thione, 2-methyl- (8ci)"	"CN1Sc2ccccc2C1=S"	0	""	""	3	3	292326	"15871246"
"158088"	"158088"	"(3E)-N'-(4-Nitrophenyl)-3-[(4-nitrophenyl)hydrazinylidene]butanehydrazide"	"C\C(=N/Nc1ccc(cc1)[N+](=O)[O-])\CC(=O)NNc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	6180765	""
"158263"	"158263"	"indoline, 5-chloro-1,3,3-trimethyl-2-methylene- (8ci)"	"CN1C(=C)C(C)(C)c2cc(Cl)ccc12"	0	""	""	1	1	81308	"6872179"
"158362"	"158362"	"Maybridge3_005416"	"OC(=O)CSCCc1ccccc1"	0	""	""	1	1	292540	""
"158382"	"158382"	"4(1H)-Quinazolinone, 2-(2,4-dimethylphenyl)-2,3-dihydro-"	"Cc1ccc(C2NC(=O)c3ccccc3N2)c(C)c1"	0	""	""	3	2	292555	""
"158383"	"158383"	"4(1H)-Quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-"	"Cc1ccc(C)c(c1)C2NC(=O)c3ccccc3N2"	0	""	""	4	2	292556	"83800957"
"158388"	"158388"	"4(1H)-Quinazolinone, 2,3-dihydro-2-(3-methylphenyl)-"	"Cc1cccc(c1)C2NC(=O)c3ccccc3N2"	0	""	""	2	2	292559	"83800935"
"158389"	"158389"	"4(1h)-quinazolinone, 2-(2-ethoxyphenyl)-2,3-dihydro-"	"CCOc1ccccc1C2NC(=O)c3ccccc3N2"	0	""	""	3	2	292560	""
"158390"	"158390"	"STK382844"	"O=C1NC(Nc2ccccc12)c3ccc4ccccc4c3"	0	""	""	1	1	292561	""
"158391"	"158391"	"Z48978407"	"Clc1cccc(Cl)c1C2NC(=O)c3ccccc3N2"	0	""	""	1	1	292562	"83800946"
"158399"	"158399"	"N-(4-Methylbenzyl)-4-bromoaniline"	"Cc1ccc(CNc2ccc(Br)cc2)cc1"	0	""	""	1	1	292569	""
"158901"	"158901"	"4H-Imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-.beta.-..."	"OCC1OC(C(O)C1O)n2cnc3C(=O)N=NNc23"	0	NA	NA	1	1	NA	"36519161"
"159228"	"159228"	"4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid"	"Cc1cc(C(=O)O)c(C)n1c2cccc(c2)C(=O)O.O=C3CC4OCC=C5CN6CCC78C6CC5C4C7N3c9ccccc89"	0	""	""	1	1	5458343	""
"159242"	"159242"	"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate"	"COCC(=O)Oc1cc(c(OC(=O)COC)c(c1)c2ccc(C)cc2C)c3ccc(C)cc3C"	0	""	""	1	1	292969	""
"159628"	"159628"	"viriditoxin"	"COc1cc(O)c2c(O)c3C(=O)[C@]4(O)C(=O)C(=C(O)C[C@]4(O)[C@@H](O)c3c5C[C@]6(C(=CCCC6(C)C)C)c1c25)C(=O)N"	0	NA	NA	2	2	NA	"39277413"
"159630"	"159630"	"Citreoviridin"	"COC1=CC(=O)OC(=C1C)\C=C\C=C\C=C\C(=C/C2(C)OC(C)C(C)(O)C2O)\C"	0	NA	NA	1	1	NA	""
"159631"	"159631"	"secalonic acid d"	"COC(=O)C12Oc3ccc(c(O)c3C(=O)C1=C(O)CC(C)C2O)c4ccc5OC6(C(O)C(C)CC(=C6C(=O)c5c4O)O)C(=O)OC"	0	NA	NA	2	2	NA	"35287695"
"159862"	"159862"	"Ethanesulfon-m-anisidide, 4'-(4,5-dimethyl-9-acridinyl)-..."	"CCS(=O)(=O)Nc1cccc(Nc2c3cccc(C)c3nc4c(C)cccc24)c1OC"	0	""	""	2	2	423984	""
"159935"	"159935"	"STK565600"	"CCOC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	5	1	741352	"28277681"
"160121"	"160121"	"1H,5H-Benzo[ij]quinolizin-9-amine, 2,3,6,7-tetrahydro-N-..."	"CCCCCCCCNc1cc2CCCN3CCCc(c1)c23"	0	""	""	1	1	54612305	""
"160127"	"160127"	"2-Thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide"	"O=S1(=O)N2CN3CN(CN1C3)C2"	0	""	""	3	1	64164	"7020511"
"160319"	"160319"	"2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide"	"O=C(CSC1=NCCN1)c2ccccc2"	0	""	""	1	1	5458345	"32188946"
"161128"	"161128"	"urea, n-[[(dimethylamino)thioxomethyl]thio]-n-methyl-n'-..."	"CN(C)C(=S)SN(C)C(=O)Nc1ccccc1"	0	""	""	5	2	293865	""
"162047"	"162047"	"1-Butanone, 1-[3,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3..."	"OC(CC(=O)c1cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	1	294096	""
"162062"	"162062"	"Bicyclo[2.2.1]heptan-2-one, 3-[2-chloro-1-(chlorodifluor..."	"FC(F)(Cl)C(=C1C2CCC(C2)C1=O)C(F)(F)Cl"	0	""	""	2	2	98712	"35474705"
"162083"	"162083"	"2-Oxazolamine, N-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-"	"C1Cc2ccc(NC3=NCCO3)cc2C1"	0	""	""	1	1	294117	""
"162215"	"162215"	"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone"	"CCC(C(=O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	294204	"34844365"
"162404"	"162404"	""	"CC1=Cc2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2OC1=O"	0	NA	NA	1	1	NA	""
"162675"	"162675"	"celsioside"	"[R]O[R]O[R]OC1CCC2(C)C(CCC3(C)C2C=CC4=C5CC(C)(C)CC(O)C5(CO)CCC34C)C1(C)CO"	0	NA	NA	1	1	NA	""
"162700"	"162700"	"Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-, ..."	"NC(=S)N\N=C/c1nccc2ccccc12"	0	""	""	2	2	5874389	"61043138"
"162887"	"162887"	"9-Acridanone, 3-chloro-10-methyl-"	"CN1c2ccccc2C(=O)c3ccc(Cl)cc13"	0	""	""	1	1	294452	"58658416"
"163027"	"163027"	"diketocoriolin b"	"CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@]34O[C@H]3C(=O)[C@]5(CO5)[C@]24C"	0	NA	NA	8	7	NA	"34864307"
"163039"	"163039"	"Ribavirin"	"NC(=O)c1ncn(n1)C2OC(CO)C(O)C2O"	0	""	"FDA approved"	1	1	NA	"36791045"
"163055"	"163055"	"(E)-N,N-Dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine"	"CN(C)\C=C\c1nnc(s1)[N+](=O)[O-]"	0	""	""	1	1	6051815	""
"163059"	"163059"	"STK604248"	"CC1=C(\C=C\C(=O)O)C(=O)NC(=O)N1"	0	""	""	5	2	743193	"28277670"
"163062"	"163062"	"Triptolid"	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2O"	0	NA	NA	2	2	NA	"38748322"
"163088"	"163088"	"Berberine chloride"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	7	7	NA	"633658"
"163138"	"163138"	""	"CC(C)C(Br)C(=O)NCC(=O)O"	0	NA	NA	1	1	NA	"52574831"
"163376"	"163376"	""	"O=C(N1CCOCC1)C2(CCNCC2)c3ccccc3"	0	NA	NA	1	1	NA	"83929377"
"163424"	"163424"	"4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-"	"Nc1nc(nc2ccccc12)c3ccccc3N=NN4CCCC4"	0	""	""	1	1	424332	"52698029"
"163443"	"163443"	"6H-Pyrido[4,3-b]carbazole-6-ethanol, 5,11-dimethyl, benz..."	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCOC(=O)c5ccccc5"	0	""	""	6	2	294609	""
"163482"	"163482"	"F0013-0823"	"C1c2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	45023740	""
"163501"	"163501"	"ACIVICIN"	"N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O"	0	"AM"	""	15	3	294641	"42228922"
"163664"	"163664"	"dimethylarsinothious acid, 2,4-pyrimidinediyl ester"	"C[As](C)Sc1ccnc(S[As](C)C)n1"	0	""	""	2	2	294741	"51678003"
"163910"	"163910"	"Benzenamine, N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-"	"[O-][N+](=O)c1ccc(Nc2ccc(Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	294848	"6731017"
"163949"	"163949"	"Trypaflavine Hydrochloride"	"[Cl-].[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	NA	"6034599"
"164011"	"164011"	"Rubidazone"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccccc6)\C"	0	"TOP2"	""	14	12	NA	"36508711"
"164017"	"164017"	"Neuro_000095"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCCCCNCc5ccccc5"	0	""	""	6	2	4303691	""
"164018"	"164018"	"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCCCCCl"	0	""	""	6	1	294879	""
"164371"	"164371"	"STK209839"	"Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Cl"	0	""	""	1	1	295211	""
"164850"	"164850"	"chlorocolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CCl"	0	NA	NA	2	2	NA	"26279890"
"164878"	"164878"	"1-N,4-N-Bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide"	"ClCCN(CCCl)c1ccc(\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\c3ccc(cc3)N(CCCl)CCCl)cc1"	0	""	""	1	1	9554616	""
"164914"	"164914"	"Tributyl(2,4,5-trichlorophenoxy)tin"	"CCCC[SnH-](CCCC)(CCCC)Oc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	16683766	"73927987"
"164932"	"164932"	"cd-iii"	"CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1"	0	NA	NA	1	1	NA	"25646713"
"164970"	"164970"	"Propanedinitrile, [(3,5-dibromo-2-ethoxyphenyl)methylene]-"	"CCOc1c(Br)cc(Br)cc1C=C(C#N)C#N"	0	""	""	1	1	295572	""
"164981"	"164981"	"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(1-methyleth..."	"CC(C)N1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	1	1	295583	"93429244"
"164991"	"164991"	"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione"	"Nc1ccccc1SC2CC(=O)N(C2=O)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	295591	""
"165260"	"165260"	"Spicatin"	"C\C=C(/CO)\C(=O)OC1C=C(C)C2C3OC(=O)C(=C)C3C(CC4(CO4)C12)OC(=O)\C(=C\C)\COC(=O)C"	0	""	""	1	1	5458357	""
"165528"	"165528"	"3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-"	"Nc1nc(Cl)c(cc1C#N)C#N"	0	""	""	1	1	295901	"51768015"
"165563"	"165563"	"BRUCEANTIN"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(O)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)\C=C(/C)\C(C)C)[C@@H]24"	0	"MYC"	""	23	8	NA	"41451756"
"165572"	"165572"	"Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone, 1,4,6-tr..."	"CN1C(=O)C=C(C)C2=C1C(=O)C3=C(C(=CC(=O)N3)C)C2=O"	0	""	""	2	2	295934	""
"165604"	"165604"	"wln: g1vmr bg dg eg"	"ClCC(=O)Nc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	32018	"23595428"
"165707"	"165707"	"1,4-Benzenediamine, N-9-acridinyl-, monohydrochloride"	"Nc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	24194215	"37045344"
"165714"	"165714"	"9-Acridinamine, N-(4-ethoxyphenyl)-, monohydrochloride"	"CCOc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	2	2788193	""
"165715"	"165715"	"9-Acridinamine, N-(4-methoxyphenyl)-, monohydrochloride"	"COc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	23621357	"75651126"
"165757"	"165757"	"3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride"	"ClCCN1CCC2(CC1)SSC3(CCN(CCCl)CC3)S2"	0	""	""	1	1	54610551	""
"165897"	"165897"	"1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-e..."	"CCSC(=O)N1C(C=Cc2cc(OC)ccc12)C#N"	0	""	""	4	2	296105	"40448859"
"166130"	"166130"	""	"NNc1nncn1N"	0	NA	NA	2	1	NA	"55248209"
"166199"	"166199"	"Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo[3.3.1..."	"O=P(NC12CC3CC(CC(C3)C1)C2)(N4CC4)N5CC5"	0	""	""	2	2	64376	"53743434"
"166224"	"166224"	"Ethanol, 2,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2cccc(Cl)c2)cc1"	0	""	""	2	2	24194260	"56966928"
"166237"	"166237"	"Ethanol, 2,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)ph..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(C)n3)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	1	1	24194270	"58423500"
"166240"	"166240"	"Ethanol, 2,2'-[[3-chloro-4-[[[4-[2-(phenylmethyl)-4-thia..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc(cc2)c3csc(Cc4ccccc4)n3)c(Cl)c1"	0	""	""	2	2	24194273	"58423657"
"166291"	"166291"	"4-Thiocyanato-benzenesulfonamide"	"NS(=O)(=O)c1ccc(SC#N)cc1"	0	""	""	1	1	296284	""
"166366"	"166366"	"Thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoeth..."	"OCc1ccc(NCCN2CCCCC2)c3C(=O)c4ccccc4Sc13"	0	""	""	2	1	72827	"16140275"
"166381"	"166381"	"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-..."	"CN1CCN(CCNc2ccc(CO)c3Sc4ccccc4C(=O)c23)CC1"	0	""	""	2	1	296321	""
"166382"	"166382"	"1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride"	"CCN(CC)CCN(C)c1ccc(CO)c2c1C(=O)c3ccccc3S2=O"	0	""	""	2	1	54604257	""
"166395"	"166395"	""	"NCCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)O"	0	NA	NA	2	1	NA	""
"166454"	"166454"	"sorot"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34"	0	NA	NA	3	2	NA	"522510"
"166576"	"166576"	"7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,..."	"CS(=O)(=O)OCCN1CCC2(CC1)SSC3(CCN(CCOS(=O)(=O)C)CC3)S2"	0	NA	NA	1	1	NA	""
"166588"	"166588"	"METHYLUNDECYLPIPERIDINE, TRANS"	"CCCCCCCCCCCC1CCCC(C)N1"	0	NA	NA	2	1	NA	"76094263"
"166616"	"166616"	"Sulfonium, dimethyltetradecyl-, salt with 4-methylbenzen..."	"CCCCCCCCCCCCCC[S+](C)C"	0	""	""	1	1	24194318	""
"166624"	"166624"	"Benzamide, N-[5-(2-deoxy-.beta.-D-erythro-pentaofuranosy..."	"Cc1ccc(cc1)C(=O)NC2=NC(=O)N(C=N2)C3CC(O)C(CO)O3"	0	""	""	2	1	296462	""
"166637"	"166637"	"5,6-Dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine"	"FC(F)(F)c1nc2nc(Cl)c(Cl)nc2n1CCCN3CCOCC3"	0	""	""	1	1	296473	""
"166638"	"166638"	"Ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate"	"CCOC(=O)Cn1c(nc2nc(Cl)c(Cl)nc12)C(F)(F)F"	0	""	""	2	2	296474	""
"166641"	"166641"	"aafc"	"OCC1OC2C(OC3=NC(=N)C(=CN23)F)C1O"	0	NA	NA	3	2	NA	"40505451"
"166675"	"166675"	"Quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2ccc3ccccc3[n+]2C)c(OC)c1"	0	""	""	2	2	6448044	""
"166679"	"166679"	"2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline"	"COc1cc(OC)c(\C=C\c2cnc3ccccc3n2)c(OC)c1"	0	""	""	1	1	5925925	""
"167063"	"167063"	"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-"	"ClC(Cl)c1cnc(C#N)c(Cl)n1"	0	""	""	2	1	296636	""
"167249"	"167249"	"1H-Inden-1-one, 2-bromo-2,3-dihydro-2-methyl-"	"CC1(Br)Cc2ccccc2C1=O"	0	""	""	3	1	296770	"5728916"
"167268"	"167268"	"[(1E,3E)-4-Nitro-4-phenylbuta-1,3-dienyl]benzene"	"[O-][N+](=O)\C(=C/C=C/c1ccccc1)\c2ccccc2"	0	""	""	2	2	54598349	"1152007"
"167406"	"167406"	"urson"	"CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C)C(=O)O"	0	NA	NA	6	2	NA	"77521"
"167452"	"167452"	""	"OC(=O)C1C2CC3C(OC(=O)C13)C2Br"	0	NA	NA	2	1	NA	""
"167483"	"167483"	"4-[(E)-2-Phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide"	"C(C[n+]1ccc(\C=C\c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	54606622	""
"167550"	"167550"	"4,7-Ethano-1H-indene-8,8,9,9-tetracarbonitrile, 3a,4,7,7..."	"N#CC1(C#N)C2C=CC(C3C=CCC23)C1(C#N)C#N"	0	""	""	3	1	296973	""
"167780"	"167780"	"Asaley"	"CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)C"	0	"A7"	""	15	10	NA	"3577897"
"167781"	"167781"	"dijodbenzotef"	"Ic1ccc(I)c(c1)C(=O)NP(=O)(N2CC2)N3CC3"	0	""	""	4	4	98818	"4460326"
"168221"	"168221"	"5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (e..."	"CC(=O)OCCN1c2ccccc2Sc3cnccc13"	0	""	""	1	1	297252	""
"168225"	"168225"	"2-Benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine"	"C(N1N\C(=N\N=C\c2ccccc2)\N=N1)c3ccccc3"	0	""	""	2	2	9562683	"25857641"
"168411"	"168411"	"Methanesulfinic acid, hydroxy-, monosodium salt, reactio..."	""	0	NA	NA	2	1	NA	""
"168415"	"168415"	"Benzoxazole, 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluor..."	"Cc1cc2oc(C=C(C(F)(F)F)C(F)(F)F)nc2cc1C"	0	""	""	1	1	297305	""
"168418"	"168418"	"malonic acid, (o-chlorobenzylidene)-, diethyl ester (8ci)"	"CCOC(=O)C(=Cc1ccccc1Cl)C(=O)OCC"	0	""	""	1	1	297307	"6768203"
"168466"	"168466"	"2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol"	"C\C(=N/N=C\1/Nc2ccccc2C=C1)\c3ccccc3O"	0	""	""	2	2	135443554	"59034569"
"168467"	"168467"	"2-[(E)-[Methyl(2-quinolyl)hydrazono]methyl]phenol"	"CN(\N=C\c1ccccc1O)c2ccc3ccccc3n2"	0	""	""	1	1	135443555	"21119482"
"168468"	"168468"	"2-nitro-6-((quinolin-2(1H)-ylidenehydrazono)methyl)phenol"	"Oc1c(\C=N\N=C/2\Nc3ccccc3C=C2)cccc1[N+](=O)[O-]"	0	""	""	2	2	135443556	""
"168470"	"168470"	""	"Oc1ccccc1\C=N\Nc2ccc3cccc(c3n2)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"50984015"
"168516"	"168516"	"Benzene, 1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-"	"COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1"	0	""	""	2	2	297389	"20306767"
"168597"	"168597"	"tributylchlorolead"	"CCCC[Pb](Cl)(CCCC)CCCC"	0	""	""	2	1	25842	"13302142"
"168905"	"168905"	"Phenyl prop-1-ynyl sulphone"	"CC#CS(=O)(=O)c1ccccc1"	0	""	""	1	1	137626	"2525419"
"169091"	"169091"	"tacaryl"	"CN1CCC(CN2c3ccccc3Sc4ccccc24)C1"	0	NA	NA	2	1	NA	"1229352"
"169434"	"169434"	"florid"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1"	0	""	"FDA approved"	1	1	NA	"22832877"
"169453"	"169453"	"pamelor"	"CNCCC=C1c2ccccc2CCc3ccccc13"	0	NA	NA	2	1	NA	"894713"
"169466"	"169466"	""	"CN(C)CC(C)(C)CN1c2ccccc2Sc3ccccc13"	0	NA	NA	1	1	NA	"2622460"
"169471"	"169471"	"etymemazine hydrochloride"	"CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1"	0	NA	NA	2	1	NA	"3737335"
"169517"	"169517"	"p-Benzoquinone, 2-(5,7-dihydroxy-4-oxo-2-chromanyl)- 5-m..."	"COC1=CC(=O)C(=CC1=O)C2CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	2	2	297961	"1621858"
"169534"	"169534"	"Adriamycin-DNA hydrochloride"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	2	2	NA	""
"169688"	"169688"	"CORALYNE, NOR"	"COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3cc2cc1OC"	0	""	""	2	2	5458376	"23158192"
"169716"	"169716"	"2,7-Nonadiyne-1,9-diamine, N,N,N',N'-tetrakis(2-chloroet..."	"ClCCN(CCCl)CC#CCCCC#CCN(CCCl)CCCl"	0	""	""	3	2	54598368	"53033800"
"169774"	"169774"	"bromocriptine methanesulfonate"	"CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C"	0	NA	NA	1	1	NA	""
"169779"	"169779"	"ICRF 186"	"C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	2	2	298076	"24613067"
"169780"	"169780"	"Dexrazoxane"	"C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	"TOP2|NonCan:Cardioprotective"	"FDA approved"	14	9	NA	"24584096"
"169930"	"169930"	""	"CC1=[N+](O)[Co]2(CCCN3CCOCC3)(N4CCCCC4)([N+](=C(C)C(=[N+]2O)C)O)[N+](=C1C)O"	0	NA	NA	1	1	NA	""
"169936"	"169936"	""	"N.[Fe].C\C(=N/O)\C(=N\O)\C.C\C(=N/O)\C(=N\O)\C.c1c[nH]cn1"	0	NA	NA	1	1	NA	""
"170006"	"170006"	"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene"	"COc1cc(cc(OC)c1OC)c2ccc3cc(OC)c(OC)c(OC)c3c2"	0	""	""	1	1	298141	"5320365"
"170105"	"170105"	"Auromomycin"	""	0	NA	NA	3	2	NA	""
"170365"	"170365"	"thiactin"	"CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)\C(=C/C)\NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O"	0	NA	NA	3	2	NA	"1393482"
"170669"	"170669"	"2-Nitroacridine"	"[O-][N+](=O)c1ccc2nc3ccccc3cc2c1"	0	""	""	1	1	298500	"29808819"
"170896"	"170896"	"Platinum, bis(aziridine)dichloro-"	"Cl[Pt](Cl)(N1CC1)N2CC2"	0	NA	NA	2	2	NA	"89887489"
"170983"	"170983"	"spiropitan"	"Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4"	0	NA	NA	2	2	NA	"749020"
"170984"	"170984"	"Pimozide"	"Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5"	0	"NonCan:Psy"	"FDA approved"	4	1	NA	"2062784"
"170992"	"170992"	""	"CN(C)CCCC1c2ccccc2Oc3ccc(cc13)C(F)(F)F"	0	NA	NA	2	1	NA	"18139338"
"171111"	"171111"	"[6-(4-Methylbenzoyl)-1,2,4,5-tetrazin-3-yl]-(4-methylphenyl)methanone"	"Cc1ccc(cc1)C(=O)c2nnc(nn2)C(=O)c3ccc(C)cc3"	0	""	""	1	1	298782	"20743797"
"171259"	"171259"	""	"OC(=O)c1cccc(F)c1C(=O)c2ccc3ccccc3c2"	0	NA	NA	1	1	NA	"2138785"
"171303"	"171303"	"QFPGKQYYQDTOFV-UHFFFAOYSA-N"	"[O-][N+](=O)c1cccc(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	""	2	1	298930	"64724885"
"172033"	"172033"	"Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-..."	"Oc1c(Cl)cc(cc1Cl)C(C(c2cc(Cl)c(O)c(Cl)c2)c3cc(Cl)c(O)c(Cl)c3)c4cc(Cl)c(O)c(Cl)c4"	0	""	""	1	1	425241	""
"172112"	"172112"	"Spirohydantoin Mustard"	"ClCCN(CCCl)CCN1C(=O)NC2(CCCCC2)C1=O"	0	"A7"	""	14	2	41945	"56605164"
"172599"	"172599"	"7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-6-hy..."	"NNc1c(C#N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	299517	"22256946"
"172614"	"172614"	"9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuran..."	"Cn1cnc(c1Sc2nc(N)nc3c2ncn3C4CC(O)C(CO)O4)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"61552429"
"172774"	"172774"	"Acridinium, 3-amino-9-[[4-[[[4-[(aminoiminomethyl)amino]..."	"[Br-].[Br-].C[n+]1c2ccccc2c(Nc3ccc(NS(=O)(=O)CCCCNC(=N)N)cc3)c4ccc(N)cc14"	0	""	""	2	2	24194755	"63345255"
"172924"	"172924"	"BRUSATOL"	"COC(=O)C12OCC34C(CC5C(=C(O)C(=O)CC5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)C=C(C)C)C24"	0	NA	NA	8	2	NA	"14907983"
"172946"	"172946"	"3-desmethylcolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	3	3	NA	"7336336"
"173046"	"173046"	"Diphenyllead diacetate"	"CC(=O)O[Pb](OC(=O)C)(c1ccccc1)c2ccccc2"	0	NA	NA	2	2	NA	"6928683"
"173516"	"173516"	"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(.alp..."	"CC1(C)N=C(N)N=C(N)N1c2ccc(F)c(c2)C(F)(F)F"	0	NA	NA	2	2	NA	"18914835"
"173552"	"173552"	"L-Aspartic acid, N-[4-[[(2-amino-4-hydroxy-6-quinazoliny..."	"Nc1nc(O)c2cc(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	NA	"6113764"
"173778"	"173778"	"1,4-biphenylene-bis(triphenylphosphonium) dibromide"	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(cc4)c5ccc(cc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	54610386	"10111270"
"173904"	"173904"	"Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)prop..."	"CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)CCl"	0	""	""	2	2	299925	""
"173905"	"173905"	"Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenyl..."	"CC(C)CC(NC(=O)C)C(=O)NC(Cc1ccccc1)C(=O)CCl"	0	""	""	2	1	299926	""
"173931"	"173931"	"Mercury, phenyl(tribromomethyl)-"	"BrC(Br)(Br)[Hg]c1ccccc1"	0	""	""	2	2	76801	"3294608"
"174005"	"174005"	"2H-Isoindole-2-acetic acid, .alpha.-(4-chloro-3-oxobutyl..."	"COC(=O)C(CCC(=O)CCl)N1C(=O)c2ccccc2C1=O"	0	""	""	3	1	299982	""
"174030"	"174030"	"2-N-[3-(Diethylaminomethyl)-4-methoxyphenyl]-4-N-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine;hydrochloride"	"CCN(CC)Cc1cc(Nc2nc(NC3CCC(CC3)N(C)C)c4ccccc4n2)ccc1OC"	0	""	""	1	1	54610390	"76004552"
"174119"	"174119"	"Cytochalasin A"	"CC1CCC(=O)C\C=C/C(=O)OC23C(\C=C\C1)C(O)C(=C)C(C)C2C(Cc4ccccc4)NC3=O"	0	""	""	12	8	5458383	"14110646"
"174121"	"174121"	"Methotrexate Derivative"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)c4ccccc34"	0	"Df"	""	6	5	NA	""
"174137"	"174137"	"Benzenethiol, methyl-, mercury(2+) salt"	"[R]C.[R]S.c1ccccc1"	0	NA	NA	3	2	NA	""
"174163"	"174163"	"Mercury, chloro-2-naphthalenyl-"	"Cl[Hg]c1ccc2ccccc2c1"	0	""	""	3	2	425433	"39966411"
"174176"	"174176"	"Mercury, (acetyloxy)(pentamethylphenyl)-"	"CC(=O)O[Hg]c1c(C)c(C)c(C)c(C)c1C"	0	""	""	2	2	16683786	"56457411"
"174177"	"174177"	"wln: 1vo-hg-r b1 c1 e1 f1"	"CC(=O)O[Hg]c1c(C)c(C)cc(C)c1C"	0	""	""	3	3	16683022	"21450817"
"174218"	"174218"	"Phenol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-..."	"CCC[Sn](Cl)(Cl)CCC.Oc1ccccc1\C=N\CC\N=C\c2ccccc2O"	0	""	""	1	1	425443	""
"174280"	"174280"	"sodium butyrate"	"[Na+].CCCC(=O)O"	0	NA	NA	2	1	NA	"156547"
"174518"	"174518"	"1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-d..."	"CN(C1=NS(=O)(=O)N=C(O1)N(C)c2ccccc2)c3ccccc3"	0	""	""	1	1	300190	"40028351"
"174589"	"174589"	"Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1H-azepine-1-car..."	"CCOC(=O)N1C=CC2=C3C4=C1[Fe]234(C#O)(C#O)C#O"	0	NA	NA	3	2	NA	"12193690"
"174804"	"174804"	"Heptanoic acid, 4,6-dioxo-"	"CC(=O)CC(=O)CCC(=O)O"	0	""	""	1	1	5312	"51568184"
"174892"	"174892"	"Silver, (6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-"	"CC(C)(C)C1=[O][Ag][O]=C(C1)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	1	1	425550	"76121998"
"174894"	"174894"	"Erbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-..."	"CC(C)(C)C1=[O][Er]23([O]=C(CC(=[O]2)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)([O]=C(CC(=[O]3)C(F)(F)C(F)(F)C(F)(F)F)C(C)(C)C)[O]=C(C1)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	1	1	425551	"17978755"
"174923"	"174923"	"1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione..."	"Cc1ccc(cc1)C2NC(=S)N3C(NC(=S)N23)c4ccc(C)cc4"	0	""	""	1	1	3003864	""
"174939"	"174939"	"Elesclomol"	"CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c2ccccc2"	0	"PK:ROS1"	"Clinical trial"	2	2	300471	"488832695"
"174940"	"174940"	"Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-..."	"CN(NC(=O)CC(=O)NN(C)C(=S)c1ccc(Cl)cc1)C(=S)c2ccc(Cl)cc2"	0	""	""	1	1	300472	""
"174941"	"174941"	"Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]..."	"COc1ccc(cc1)C(=S)N(C)NC(=O)CC(=O)NN(C)C(=S)c2ccc(OC)cc2"	0	""	""	1	1	300473	""
"175074"	"175074"	"4-(Dipropylamino)-3,5-dinitrobenzamide"	"CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]"	0	""	""	1	1	300481	"36317950"
"175150"	"175150"	"Rosamicin"	"CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C3(C)OC3C1C"	0	NA	NA	1	1	NA	"35834265"
"175151"	"175151"	"Cytochalasin E"	"C[C@H]1C\C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@@]24OC(=O)O\C=C\[C@@](C)(O)C1=O"	0	NA	NA	13	10	NA	"36011195"
"175202"	"175202"	"[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride"	"Brc1cccc(c1)C(=O)OCc2ccccc2CN3CCOCC3"	0	""	""	1	1	24194965	""
"175203"	"175203"	"[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate"	"Brc1ccc(cc1)C(=O)OCc2ccccc2CN3CCOCC3"	0	""	""	1	1	300500	""
"175274"	"175274"	"2H-Indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-d..."	"N\N=C(\C=C\1/C(=O)Nc2ccccc12)/c3ccccc3"	0	""	""	2	2	135426837	"844633"
"175377"	"175377"	"cyclohexaneacetic acid, 4-[[[(2-chloroethyl)nitrosoamino..."	"OC(=O)C[C@@H]1CC[C@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	3	1	NA	"52320895"
"175490"	"175490"	"Iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp..."	"O#C[Fe]12345(SC(=S1)N(N6CCOCC6)N7CCOCC7)C8C2=C3C4=C58"	0	NA	NA	2	2	NA	""
"175493"	"175493"	"Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy..."	"CN(C)C1=S[Fe]2345(S1)(C#O)C6C2=C3C4=C56"	0	NA	NA	2	2	NA	"12128653"
"175630"	"175630"	"6-aminotoyocamycin"	"Nc1ncnc2c1c(C#N)c(N)n2C3OC(CO)C(O)C3O"	0	""	""	3	2	300567	"57071611"
"175633"	"175633"	"4(1H)-Quinazolinone, 2-(2-chlorophenyl)-2,3-dihydro-"	"Clc1ccccc1C2NC(=O)c3ccccc3N2"	0	""	""	2	2	300570	"13324806"
"175634"	"175634"	"4(1H)-Quinazolinone, 2,3-dihydro-2-(5-methyl-2-thienyl)-"	"Cc1ccc(s1)C2NC(=O)c3ccccc3N2"	0	""	""	1	1	300571	""
"175635"	"175635"	"2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline"	"O=C1NC(Nc2ccccc12)c3cccc(OCc4ccccc4)c3"	0	""	""	2	2	300572	""
"175636"	"175636"	"4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthale..."	"Clc1ccc2NC(NC(=O)c2c1)c3cccc4ccccc34"	0	""	""	2	2	300573	"34934082"
"175637"	"175637"	"STK677116"	"CCN(CC)c1ccc(cc1)C2NC(=O)c3ccccc3N2"	0	""	""	2	2	300574	""
"175639"	"175639"	"4(1H)-Naphthalenone, 2,3-dihydro-2-(2-methoxy-1-naphthal..."	"COc1ccc2ccccc2c1C3NC(=O)c4ccccc4N3"	0	""	""	2	2	300576	""
"175996"	"175996"	"1-Decanaminium, 10-(4-butoxyphenoxy)-N,N,N-trimethyl-, b..."	"CCCCOc1ccc(OCCCCCCCCCC[N+](C)(C)C)cc1"	0	""	""	2	2	21144582	"31657337"
"176098"	"176098"	"Phosphonium, methyl[2-methyl-2-(4-methylphenyl)propyl]di..."	"Cc1ccc(cc1)C(C)(C)C[P+](C)(c2ccccc2)c3ccccc3"	0	""	""	2	2	20835892	""
"176245"	"176245"	"Ferrocene, 1,1''-(dichlorostannylene)bis-"	"Cl[Sn](Cl)(C12C3=C4C5=C1[Fe]23456789C%10C6=C7C8=C9%10)C%11%12C%13=C%14C%15=C%11[Fe]%12%13%14%15%16%17%18%19C%20C%16=C%17C%18=C%19%20"	0	""	""	2	2	6477718	""
"176323"	"176323"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(OC)cccc5nc34)C2=O"	0	"TOP1"	""	5	3	123617	"39026921"
"176324"	"176324"	"Hydroxy AT 125"	"N[C@@H]([C@H]1ON=C(Cl)[C@@H]1O)C(=O)O"	0	""	""	10	2	5351254	""
"176326"	"176326"	"9-chloroellipticine"	"Cc1c2ccncc2c(C)c3c4cc(Cl)ccc4[nH]c13"	0	""	""	6	2	300858	""
"176327"	"176327"	"Ellipticine, 6-(3-aminopropyl)-9-methoxy-, dihydrochloride"	"COc1ccc2c(c1)c3c(C)c4cnccc4c(C)c3n2CCCN"	0	NA	NA	7	2	NA	"85632833"
"176328"	"176328"	"Ellipticine, 6-(3-aminopropyl)-, dihydrochloride"	"Cc1c2cnccc2c(C)c3c1c4ccccc4n3CCCN"	0	NA	NA	7	5	NA	""
"176367"	"176367"	"9XTE4E1837"	"O=C(NC(=S)Nc1ccccn1)c2ccccc2"	0	""	""	1	1	708470	"4921862"
"176368"	"176368"	"ZX-AT026073"	"Oc1ccc(Br)cc1\C=N\C2CCCCC2"	0	""	""	1	1	300886	"78987549"
"176371"	"176371"	"2-(Benzenecarbonothioylamino)benzoic acid"	"OC(=O)c1ccccc1NC(=S)c2ccccc2"	0	""	""	1	1	3886168	""
"176373"	"176373"	"N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide"	"O=C(NC(=S)NNC(=S)NNc1ccccc1)c2ccccc2"	0	""	""	1	1	5033540	"33949905"
"176389"	"176389"	"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one"	"Nc1ccccc1SC(CC(=O)c2ccccc2)c3c(Cl)cccc3Cl"	0	""	""	1	1	300906	"60246722"
"176392"	"176392"	"Thiourea, N,N''-(4,5-dimethyl-1,2-phenylene)bis[N-phenyl-"	"Cc1cc(NC(=S)Nc2ccccc2)c(NC(=S)Nc3ccccc3)cc1C"	0	""	""	2	2	4329919	""
"176503"	"176503"	"Fastigilin B"	"CC1C(O)C2OC(=O)C(C)C2C(OC(=O)C=C(C)C)C3(C)C1C=CC3=O"	0	""	""	6	3	442241	""
"176507"	"176507"	"Fastigilin C"	"C[C@@H]1[C@@H](O)[C@H]2OC(=O)C(=C)[C@H]2[C@@H](OC(=O)C=C(C)C)[C@@]3(C)[C@H]1C=CC3=O"	0	NA	NA	2	2	NA	"6995126"
"176555"	"176555"	"Ambivalon hydrochloride"	"C[N+](C)([O-])CCC=C1c2ccccc2CCc3ccccc13"	0	NA	NA	1	1	NA	"4290602"
"176632"	"176632"	"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-"	"C[Sn](C)(C)SC(=S)N1CCOCC1"	0	""	""	2	2	300936	"35777925"
"176655"	"176655"	"Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-, (Z)-"	"C1Oc2ccc(\C=C/c3oc4ccccc4n3)cc2O1"	0	""	""	2	2	5351255	""
"176656"	"176656"	"4-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]cinnoline"	"COc1ccc(\C=C\c2cnnc3ccccc23)cc1OC"	0	""	""	1	1	6418734	""
"176804"	"176804"	"1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-2-propenyl..."	"CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C"	0	""	""	2	1	3086381	"93894167"
"176878"	"176878"	"Phosphonium, (diphenylmethyl)triphenyl-, bromide"	"c1ccc(cc1)C(c2ccccc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5"	0	NA	NA	2	2	NA	"7333655"
"177365"	"177365"	"1-Propanesulfonamide, 3-[(aminoiminomethyl)amino]-N-[4-[..."	"NC(=N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4cc(ccc24)[N+](=O)[O-])cc1"	0	NA	NA	3	3	NA	"63345175"
"177377"	"177377"	"Versimide"	"COC(=O)C(=C)N1C(=O)CC(C)C1=O"	0	NA	NA	2	2	NA	"30270178"
"177378"	"177378"	"Anguidin"	"CC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@H](O)[C@@H](OC(=O)C)[C@@]2(C)[C@@]34CO4)C"	0	""	""	2	1	91518	"2270408"
"177382"	"177382"	"Tunicamycin"	""	0	NA	NA	2	2	NA	""
"177383"	"177383"	"Tolypomycin Y"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4C(=O)C(=C\C(=N/C5CCC(O)OC5C)\c4c3C2=O)NC(=O)\C(=C/C(=O)C6CC6C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C"	0	NA	NA	3	2	NA	"23412262"
"177391"	"177391"	"meso-Tetra(p-sulfophenyl)porphine"	"OS(=O)(=O)c1ccc(cc1)c2c3C=Cc([nH]3)c(c4ccc(cc4)S(=O)(=O)O)c5ccc(n5)c(c6ccc(cc6)S(=O)(=O)O)c7ccc([nH]7)c(c8ccc(cc8)S(=O)(=O)O)c9ccc2n9"	0	NA	NA	1	1	NA	""
"177407"	"177407"	"1H-Imidazo[4,5-b]pyrazine, 5,6-dichloro-2-[3-(trifluorom..."	"FC(F)(F)c1cccc(c1)c2nc3nc(Cl)c(Cl)nc3[nH]2"	0	""	""	2	2	5383615	"58885113"
"177499"	"177499"	"Tomaymycin"	"COC1Nc2cc(O)c(OC)cc2C(=O)N3C\C(=C\C)\C[C@H]13"	0	NA	NA	9	3	NA	"35050556"
"177697"	"177697"	"cupric diethyldithiocarbamate"	"CCN(CC)C1=S[Cu]2(SC(=S2)N(CC)CC)S1"	0	""	""	2	2	26180	"13681873"
"177845"	"177845"	"7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3..."	"BrCC(=O)N1CCC2(CC1)SSC3(CCN(CC3)C(=O)CBr)S2"	0	""	""	1	1	301256	""
"177851"	"177851"	"Zaluzanin C"	"OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C"	0	NA	NA	2	2	NA	"16838872"
"177881"	"177881"	"STL553706"	"O=C1OC(=N/C/1=C\c2cccnc2)c3ccccc3"	0	""	""	1	1	1551558	"5086431"
"177989"	"177989"	"AAJYCHBLTARBTA-SOFGYWHQSA-N"	"CCOC(=O)\C=C\c1ccc([nH]1)C(=O)OCC"	0	""	""	1	1	5383641	""
"178002"	"178002"	"Pyrrolo[2,3-g]indazole-7-carboxylic acid, 2,4,5,6-tetrah..."	"CCOC(=O)c1c(C)c2c(CCc3c[nH]nc23)n1C"	0	""	""	2	1	301367	""
"178010"	"178010"	"NAPHTHALENEDIONE, 5-CHLORO-8-HYDROXY-"	"Oc1ccc(Cl)c2C(=O)C=CC(=O)c12"	0	""	""	2	2	301371	"52431591"
"178123"	"178123"	"8-Quinolinol, 5-chloro-7-[[[3-(1-pyrrolidinyl)propyl]ami..."	"Oc1c(CNCCCN2CCCC2)cc(Cl)c3cccnc13"	0	""	""	2	2	54607044	""
"178248"	"178248"	"CHLOROZOTOCIN"	"OCC(O)C(O)C(O)C(NC(=O)N(CCCl)N=O)C=O"	0	"A7"	""	13	9	NA	"54749905"
"178249"	"178249"	"5-ms"	"COc1ccc(O)c2C(=O)c3c(OC)cc4O[C@H]5OC=C[C@H]5c4c3Oc12"	0	NA	NA	7	6	NA	"22897081"
"178260"	"178260"	"salasdine"	"CC1CCC2(NC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C"	0	NA	NA	1	1	NA	"126170"
"178262"	"178262"	"fluopsin c"	"CN1O[Cu]2(ON(C)C=S2)S=C1"	0	""	""	2	1	169285	"31323258"
"178264"	"178264"	"Fluopsin N"	"CN1O[Ni]2(ON(C)C=S2)S=C1"	0	NA	NA	2	2	NA	"31541909"
"178296"	"178296"	"mato"	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"50657"
"178847"	"178847"	""	"CN(C)CCC(=O)\C=C\c1ccccc1"	0	NA	NA	1	1	NA	"59512491"
"179074"	"179074"	"Lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-S,S']..."	"N#CCCN(C1CCCCC1)C2=S[Pb]3(SC(=S3)N(CCC#N)C4CCCCC4)S2"	0	NA	NA	2	2	NA	""
"179187"	"179187"	"salasdine"	"CC1CCC2(NC1)OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C"	0	NA	NA	3	2	NA	"126170"
"179201"	"179201"	"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate"	"CC(=O)Oc1cc2ccc3c4cc(OC(=O)C)c(OC(=O)C)cc4cnc3c2cc1OC(=O)C"	0	""	""	1	1	301457	"54785181"
"179207"	"179207"	"Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-..."	"COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC"	0	""	""	2	2	12201866	"54824963"
"179220"	"179220"	"Benzothiazolium 3-methyl-2-[4-(1-piperidinyl)-1,3-butadi..."	"C[n+]1c(\C=C\C=C\N2CCCCC2)sc3ccccc13"	0	""	""	2	2	135539594	""
"179365"	"179365"	"Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-"	"O=C(\C=C\c1ccc(cc1)C#N)c2ccccc2"	0	NA	NA	2	2	NA	"5724550"
"179485"	"179485"	"Brevicid"	"Oc1ccc(\C=C(/[N+]#[C-])\C(=C\c2ccc(O)cc2)\[N+]#[C-])cc1"	0	NA	NA	2	2	NA	"580745"
"179496"	"179496"	"5,6-Dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine"	"CCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1"	0	""	""	1	1	5383666	""
"179834"	"179834"	"withanolide e"	"CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	NA	NA	2	2	NA	"38254158"
"179940"	"179940"	"wln: t56 bnonj bo fnw i- at6n dntj d1"	"CN1CCN(CC1)c2ccc(c3no[n+]([O-])c23)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"58131570"
"179945"	"179945"	"1H-Pyrazole-1-ethanol, 4,4'-azoxybis(3,5-dimethyl-"	"Cc1nn(CCO)c(C)c1N=[N+]([O-])c2c(C)nn(CCO)c2C"	0	""	""	2	2	301772	"7171688"
"180198"	"180198"	"Hydrazinecarbothioamide, 2,2'-(1,5-dimethyl-1,5-pentaned..."	"CNC(=S)N\N=C(\C)/CCC\C(=N/NC(=S)NC)\C"	0	NA	NA	2	2	NA	"18667260"
"180260"	"180260"	"Quinolinium, 1-methyl-4-[2-(2,4,5-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2cc[n+](C)c3ccccc23)cc1OC"	0	NA	NA	1	1	NA	""
"180510"	"180510"	"daunorubicineal"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)O"	0	NA	NA	10	6	NA	""
"180525"	"180525"	"Sangivamycin, 6-aminothio-"	"NC(=S)c1c(N)n(C2OC(CO)C(O)C2O)c3ncnc(N)c13"	0	""	""	2	2	4033014	"57071586"
"180966"	"180966"	"AGN-PC-0NI2ET"	"CC(=O)Oc1cc2ccc3c4cc(OC(=O)C)c(OC(=O)C)cc4c[n+](C)c3c2cc1OC(=O)C"	0	""	""	2	2	12201865	"54785205"
"180973"	"180973"	"Tamoxifen"	"CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3"	0	"Ho|SERM"	"FDA approved"	28	3	NA	"54965241"
"181099"	"181099"	""	"Oc1ccccc1\C=N\Nc2ccc3ccccc3n2"	0	NA	NA	1	1	NA	"2746556"
"181486"	"181486"	"Trigilletine"	"COc1ccc2CC3NCCc4cc5Oc6c(OC)cc7CCN(C)C(Cc8ccc(Oc1c2)cc8)c7c6Oc5cc34"	0	""	""	2	1	301935	""
"181500"	"181500"	"1-[4-[(E)-N-(Diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride"	"CC\C(=N/NC(=N)N)\c1ccc(NC(=O)Nc2ccc(cc2)\C(=N\NC(=N)N)\CC)cc1"	0	""	""	1	1	54600368	""
"182855"	"182855"	"Eriolangin"	"C\C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)CO)OC(=O)C2=C"	0	""	""	2	2	5281445	"52617353"
"182986"	"182986"	"AZQ"	"CCOC(=O)NC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NC(=O)OCC"	0	"A7"	""	50	43	NA	"57998682"
"184398"	"184398"	"Aquayamycin"	"CC1OC(CC(O)C1O)c2ccc3C(=O)C4=C(C=CC5(O)CC(C)(O)CC(=O)C45O)C(=O)c3c2O"	0	NA	NA	2	1	NA	"26055630"
"184403"	"184403"	"5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride"	"[Cl-].[Cl-].C[n+]1cc2cc(O)c(O)cc2c3ccc4cc(O)c(O)cc4c13.c5ccncc5"	0	""	""	2	1	5351258	""
"184692"	"184692"	"Aminopterin Derivative"	"CCc1c(CNc2ccc(cc2)C(=O)NC(CC(=O)O)C(=O)O)ccc3nc(N)nc(N)c13"	0	"Df"	""	4	4	426244	""
"184734"	"184734"	"Cucurbitacin I, 2-glucoside"	""	0	NA	NA	1	1	NA	""
"184849"	"184849"	"Mebendazole"	"COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3"	0	"Tu-stab"	"FDA approved"	2	2	NA	"31431397"
"185042"	"185042"	"Hydrazinecarbothioamide, 2-[[5-(heptafluoropropyl)-1-iso..."	"NC(=S)N\N=C\c1nccc2c(cccc12)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	2	5995822	"31181052"
"185049"	"185049"	"Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridiny..."	"CCC(=O)Oc1ccc(\C=N\NC(=S)N)nc1"	0	""	""	1	1	9556312	"51984204"
"185054"	"185054"	"Acetic acid, (4-chlorophenoxy)-, 6-[[(aminothioxomethyl)..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccc(Cl)cc2)cn1"	0	""	""	1	1	9556337	"51984306"
"185055"	"185055"	"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate"	"NC(=S)N\N=C\c1ccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)cn1"	0	""	""	1	1	9560945	"51984328"
"185056"	"185056"	"Acetic acid, (2-chlorophenoxy)-, 6-[[(aminothioxomethyl)..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccccc2Cl)cn1"	0	""	""	2	1	5351259	"51984293"
"185057"	"185057"	"Acetic acid, phenoxy-, 6-[[(aminothioxomethyl)hydrazono]..."	"NC(=S)N\N=C\c1ccc(OC(=O)COc2ccccc2)cn1"	0	""	""	1	1	9555563	"51984271"
"185060"	"185060"	"Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methy..."	"Oc1ccc(\C=N\NC(=S)Nc2ccccc2)nc1"	0	""	""	1	1	135443615	"51984408"
"185062"	"185062"	"Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmet..."	"S=C(N\N=C\c1ccccn1)Nc2ccccn2"	0	""	""	1	1	9555487	"51984135"
"185065"	"185065"	"Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methy..."	"Oc1ccc(\C=N\NC(=S)Nc2cccnc2)nc1"	0	""	""	2	2	135443616	""
"185169"	"185169"	"6-chlorotetrazolo[4,5-b]pyridazine"	"Clc1ccc2nnnn2n1"	0	""	""	1	1	302231	"21413150"
"186266"	"186266"	"Pyrrolidinium, 1-ethyl-1-hexadecyl-, ethyl sulfate"	"CCCCCCCCCCCCCCCC[N+]1(CC)CCCC1"	0	""	""	2	2	21144597	""
"186301"	"186301"	"Thiocolchicine"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	"TUBB"	""	6	3	17648	"2730714"
"186945"	"186945"	"Quinolinium, 1-methyl-4-[2-(2,4,6-trimethoxyphenyl)ethen..."	"COc1cc(OC)c(\C=C\c2cc[n+](C)c3ccccc23)c(OC)c1"	0	""	""	1	1	20832445	""
"187546"	"187546"	"Ethanimidamide, 2-chloro-N-(tricyclo[3.3.1.1(3,7)]dec-1-..."	"ClCC(=N)NCC12CC3CC(CC(C3)C1)C2"	0	""	""	1	1	12470660	"22545591"
"187675"	"187675"	"ANTINEOPLASTIC-187675"	"O[As](=O)(O)c1cc(ccc1c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	302501	""
"187694"	"187694"	"methylene violet"	"CN(C)c1ccc2N=C3C=CC(=O)C=C3Sc2c1"	0	""	""	2	2	73024	"2516054"
"188491"	"188491"	"SMA-491 (free base of NSC D742838)"	"NNc1c(C(=O)N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	4	2	302576	""
"188493"	"188493"	""	"Oc1ccc(NC(=O)CI)c2ccccc12"	0	NA	NA	2	2	NA	"6683632"
"189487"	"189487"	"Funiferine"	"COc1cc2CCN(C)C3Cc4ccc(OC)c(c4)c5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O"	0	""	""	1	1	426395	""
"189793"	"189793"	"streptovaricin a"	"COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@@](C)(O)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\[C@@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(=O)C)\C"	0	NA	NA	2	1	NA	"23344163"
"191384"	"191384"	"STK149128"	"Cc1cc(C)c(NC(=O)\C=C\c2ccccc2)c(C)c1"	0	""	""	1	1	966731	""
"191390"	"191390"	"7160AJ"	"Clc1ccccc1NC(=O)\C=C\c2ccccc2"	0	""	""	1	1	765318	"73108799"
"191909"	"191909"	".alpha.-Chloro-N-(p-methoxyphenyl)succinimide"	"COc1ccc(cc1)N2C(=O)CC(Cl)C2=O"	0	""	""	1	1	99724	"36342139"
"191924"	"191924"	""	"CCCCCCCCCCCC[N+](=C1SCCS1)CCCCCCCCCCCC"	0	NA	NA	1	1	NA	""
"191959"	"191959"	"michicarcin"	""	0	NA	NA	1	1	NA	""
"191961"	"191961"	"Dihydrocoralyne sulfoacetate"	"COc1cc2CC[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC.OS(=O)(=O)CC(=O)[O-]"	0	NA	NA	1	1	NA	""
"192737"	"192737"	"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate"	"CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(=O)C)C4(C)OC(=O)CC23)C1"	0	""	""	1	1	303610	""
"192744"	"192744"	"Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)"	"CCCCCCCCCCCCCC(=O)O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O"	0	""	""	1	1	303617	"51801275"
"192965"	"192965"	"Spirogermanium"	"[Cl-].CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1"	0	NA	NA	15	2	NA	"41992227"
"193028"	"193028"	""	"Cc1n[n+]([O-])c(C)cc1[N+](=O)[O-]"	0	NA	NA	1	1	NA	"57599505"
"193457"	"193457"	"2-(Methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride"	"CNC\C(=N\S(=O)(=O)c1ccc(C)cc1)\Cl"	0	""	""	1	1	303792	""
"193771"	"193771"	"Methyltris(2-methylphenyl)phosphanium bromide"	"Cc1ccccc1[P+](C)(c2ccccc2C)c3ccccc3C"	0	""	""	1	1	24195677	"61249249"
"194124"	"194124"	"Piperidinium, 1,1-didodecyl-3-methyl-, bromide"	"CCCCCCCCCCCC[N+]1(CCCCCCCCCCCC)CCCC(C)C1"	0	""	""	2	2	21144608	""
"194126"	"194126"	"1,4'-Bipiperidine, 1'-decyl-, monohydrochloride"	"CCCCCCCCCCN1CCC(CC1)N2CCCCC2"	0	""	""	2	2	21144609	""
"194270"	"194270"	"Cadmium;2-diphenylphosphorylacetic acid"	"O=C1CP(=[O][Cd]2(OC(=O)CP(=[O]2)(c3ccccc3)c4ccccc4)O1)(c5ccccc5)c6ccccc6"	0	""	""	1	1	426571	""
"194271"	"194271"	""	"N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC45CC6CC(CC(C6)C4)C5"	0	NA	NA	1	1	NA	"37764446"
"194350"	"194350"	"euchrysine"	"CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C"	0	""	""	2	2	62344	"494382"
"194598"	"194598"	"Indeno[1,2,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1..."	"[O-][n+]1c(CN2CCCCC2)nc3cccc4c5ccccc5c1c34"	0	""	""	1	1	3246550	"5358769"
"194617"	"194617"	"Isoquinocycline A, Hydrochloride"	"CC(O)C1(O)C(O)CC(OC2c3cc4C(=O)c5c(O)cccc5C(=O)c4c(O)c3[C@@H]6C[C@@]2(C)OC67C=C8C=CNC8=N7)OC1C"	0	NA	NA	3	2	NA	""
"194618"	"194618"	"Tetrangulol"	"Cc1cc(O)c2c3C(=O)c4cccc(O)c4C(=O)c3ccc2c1"	0	""	""	2	2	99188	"7414928"
"195327"	"195327"	"4-APPT"	"NC(=S)N\N=C\c1cc(ccn1)c2cccc(N)c2"	0	NA	NA	2	2	NA	"52583843"
"195922"	"195922"	"1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol"	"CCc1ncc(n1Cc2ccccc2)C(C)(O)c3ccccc3"	0	""	""	1	1	304284	""
"196473"	"196473"	"Ametantrone"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	2134	"64862960"
"196524"	"196524"	"e-rhodomycinone"	"CCC1(O)CC(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3c(O)c2C1C(=O)OC"	0	NA	NA	2	1	NA	"21288608"
"196539"	"196539"	"1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1O"	0	""	""	1	1	6039866	""
"196550"	"196550"	"Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury"	"CC(=O)O[Hg]c1c(N)c(C)cc(C)c1F"	0	""	""	2	2	16683793	"484639"
"196593"	"196593"	"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(C)OC1C=C2"	0	""	""	1	1	304499	"18064045"
"200692"	"200692"	"aspiculamycin hcl"	"[Cl-].CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(O)C(O)C(OC1C(=O)N)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	NA	""
"201239"	"201239"	"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid"	"OC(=O)\C=C\C1=CNC(=O)NC1=O.OC(=O)\C=C\C2=CNC(=O)NC2=O"	0	""	""	5	2	5383837	""
"201241"	"201241"	"Methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate"	"CCCCSCC(NC(=O)\C=C\C1=C(C)NC(=O)NC1=O)C(=O)OC"	0	""	""	6	5	5383838	""
"201290"	"201290"	"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-"	"CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	4	4	304673	"55726448"
"201434"	"201434"	"Maybridge1_003242"	"Clc1ccc(cc1)\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	1	1	135452426	"57743303"
"201438"	"201438"	"3-(1,3-Benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one"	"Brc1ccc2NC(=O)\C(=N/c3ccc4OCOc4c3)\c2c1"	0	""	""	1	1	135452427	""
"201459"	"201459"	"1H-Indol-2-one, 5-bromo-2,3-dihydro-3-[[(4-methoxyphenyl..."	"COc1ccc(cc1)C(=O)\C=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	2	1	6509922	""
"201618"	"201618"	"Benzoic acid, 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-t..."	"CCOC(=O)c1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C#N)cc1"	0	""	""	2	2	304896	""
"201628"	"201628"	"Carbonic dihydrazide, bis[(3,5-dibromo-2-hydroxyphenyl)m..."	"Oc1c(Br)cc(Br)cc1\C=N\NC(=O)N\N=C\c2cc(Br)cc(Br)c2O"	0	""	""	1	1	135452432	""
"201631"	"201631"	"Benzoic acid, 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-t..."	"CCOC(=O)c1ccc(Nc2sc(C(=O)c3cccc(c3)[N+](=O)[O-])c(N)c2C#N)cc1"	0	""	""	2	2	304907	""
"201646"	"201646"	"D 4735"	"CN1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	1	1	99221	"14318399"
"201656"	"201656"	"Maybridge1_005792"	"CC(=O)ON1C(=O)c2cccc3cccc(C1=O)c23"	0	""	""	1	1	304928	""
"201724"	"201724"	"Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide"	"C[P+](c1ccccc1)(c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	24195814	"81542361"
"201835"	"201835"	"ZX-AP012572"	"Oc1ccc(Br)cc1\C=N\c2cccc(c2)C(F)(F)F"	0	""	""	1	1	305092	"75854216"
"201857"	"201857"	"[2-Methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate"	"COc1cc(\C=N\Nc2ccccc2)ccc1OC(=O)c3ccccc3"	0	""	""	2	2	5712309	""
"201863"	"201863"	"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide"	"CC(NC(=O)c1ccc(Cl)c(Cl)c1)c2ccc(cc2)c3ccccc3"	0	""	""	1	1	305114	""
"201868"	"201868"	"N-[[4-(Dimethylamino)benzylidene]amino]quinoline-3-carboxamide"	"CN(C)c1ccc(\C=N\NC(=O)c2cnc3ccccc3c2)cc1"	0	""	""	1	1	5771657	""
"201873"	"201873"	"9(10H)-Anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone"	"[O-][N+](=O)c1ccc(NN=C2c3ccccc3Cc4ccccc24)c(c1)[N+](=O)[O-]"	0	""	""	2	2	305123	""
"202000"	"202000"	"(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one"	"Clc1ccc(\C=C\2/N=C(OC2=O)c3occc3)cc1Cl"	0	""	""	1	1	5351262	""
"202003"	"202003"	"BRD-K72253399-001-01-0"	"CCc1ccc(cc1)\C(=C\C=C\c2ccccc2)\C#N"	0	""	""	2	2	5716877	""
"202062"	"202062"	"(Z)-2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile"	"CN(CCC#N)c1ccc(\C=C(/C#N)\c2ccc(Br)cc2)cc1"	0	""	""	1	1	5908264	""
"202386"	"202386"	"Benzamide, 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-..."	"[O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+](=O)[O-])c2c1"	0	""	""	2	2	5236119	"53221753"
"202554"	"202554"	"2-Propynoic acid, 2-butyne-1,4-diyl ester"	"O=C(OCC#CCOC(=O)C#C)C#C"	0	""	""	1	1	305546	""
"202858"	"202858"	"Stannane, dibutyldithiocyanato-"	"CCCC[Sn](CCCC)(SC#N)SC#N"	0	""	""	2	2	9569306	"23654184"
"203017"	"203017"	"W-200183"	"CC(=O)c1ccc(s1)c2ccc(s2)C(=O)C"	0	""	""	1	1	305890	"18494730"
"203308"	"203308"	"8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide"	"Cc1ccc2cc1[Hg]CCOS2(=O)=O"	0	""	""	1	1	426927	""
"204232"	"204232"	"N,N'-bis(3-Nitrophenyl)benzene-1,3-dicarboxamide"	"[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc3cccc(c3)[N+](=O)[O-])c1"	0	""	""	2	2	306548	""
"204667"	"204667"	"4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide"	"NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1"	0	""	""	1	1	306968	"76393367"
"204682"	"204682"	"4-Methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol"	"COc1ccc(O)c(\C=N\Nc2ccccc2)c1"	0	""	""	1	1	135491062	""
"204686"	"204686"	"Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-"	"C\C(=N/NC(=S)N)\c1ccc2ccccc2c1"	0	""	""	1	1	5418163	""
"204985"	"204985"	"sterigmatocystin"	"COc1cc2O[C@H]3OC=C[C@H]3c2c4Oc5cccc(O)c5C(=O)c14"	0	NA	NA	5	5	NA	"10048132"
"205098"	"205098"	"Spiro(furan-2(5H),3'-(3H)indole)-2'(1'H),5-dione, 3,4-di..."	"CN1C(=O)C2(CC(=C)C(=O)O2)c3cc(I)ccc13"	0	""	""	2	2	307241	"77547092"
"205105"	"205105"	"isoquinaldaldehyde, 5-amino-, thiosemicarbazone (8ci)"	"NC(=S)N\N=C\c1nccc2c(N)cccc12"	0	NA	NA	2	2	NA	"20335573"
"205357"	"205357"	"4-Amino-1-methyl-1H-imidazole-5-carboselenoamide"	"Cn1cnc(N)c1C(=[Se])N"	0	""	""	3	2	6327894	""
"205506"	"205506"	"Benzoic acid, 2-(methylamino)-, (3-phenyl-2-propenyliden..."	"CNc1ccccc1C(=O)N\N=C\C=C\c2ccccc2"	0	""	""	2	2	9615408	""
"205555"	"205555"	"Butanoic acid, 2,3-dibromo-4-[(5-chloro-2-methoxyphenyl)..."	"COc1ccc(Cl)cc1NC(=O)C(Br)C(Br)C(=O)O"	0	""	""	2	2	307450	""
"205795"	"205795"	"benzoic acid, 4-[[(2-thiazolylamino)carbonyl]amino]-, et..."	"CCOC(=O)c1ccc(NC(=O)Nc2nccs2)cc1"	0	""	""	2	2	307683	"69123451"
"205862"	"205862"	"N-(4-Chlorobenzyl)-N'-(2,5-dimethylphenyl)urea"	"Cc1ccc(C)c(NC(=O)NCc2ccc(Cl)cc2)c1"	0	""	""	2	1	307746	""
"206381"	"206381"	"2-(4-Chlorophenoxy)-1-methyl-imidazole"	"Cn1ccnc1Oc2ccc(Cl)cc2"	0	""	""	1	1	307940	""
"207111"	"207111"	"5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione"	"CC(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	5	2	6284909	"57412574"
"207895"	"207895"	"wln: t56 bnonj bo fnw i- at6n dntj d1"	"CN1CCN(CC1)c2ccc(c3no[n+]([O-])c23)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"58131570"
"207896"	"207896"	""	"CNC(=S)N\N=C\CSC\C=N\NC(=S)NC"	0	NA	NA	2	2	NA	"29195468"
"208652"	"208652"	"2,4-Quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl..."	"Nc1nc(N)c2c(Cl)c(CNc3ccc(Cl)c(Cl)c3)ccc2n1"	0	NA	NA	3	2	NA	"52128435"
"208706"	"208706"	"STK312947"	"COC(=O)C(=O)CC(=O)c1cccc(OC)c1"	0	""	""	1	1	308120	""
"208731"	"208731"	"Isodiospyrin"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1c3c(C)cc4C(=O)C=CC(=O)c4c3O"	0	""	""	2	2	99298	"20175842"
"208733"	"208733"	"ramentaceone"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1"	0	NA	NA	2	2	NA	"14787383"
"208734"	"208734"	"aclarubicin"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5[C@H]1C(=O)OC"	0	"TOP2"	"FDA approved"	27	3	NA	"57576440"
"208746"	"208746"	""	"NC(=S)NN=C1CSSC1"	0	NA	NA	1	1	NA	"1919693"
"208759"	"208759"	"3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one"	"COc1ccc(cc1OC)C(CC(=O)c2ccc3OCOc3c2)C4=C(O)c5ccccc5OC4=O"	0	""	""	1	1	54680474	""
"208885"	"208885"	""	"COc1ccc2C=C([S+](C)C(c3ccccc3)c2c1)c4ccccc4"	0	NA	NA	1	1	NA	"53844363"
"208914"	"208914"	"CC 9106"	"CCOC(=O)CNC(=O)NC12CC3CC(CC(C3)C1)C2"	0	NA	NA	5	1	NA	"33205720"
"208915"	"208915"	"CC 9147"	"CCOC(=O)CN(CC)C(=O)NC12CC3CC(CC(C3)C1)C2"	0	""	""	5	1	308224	"33205764"
"208916"	"208916"	"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	"CSCSCC(CO)NC(=O)\C(=C/C1=C(C)NC(=O)NC1=O)\C"	0	""	""	5	1	54600364	""
"208959"	"208959"	"itir"	"NC(Cc1cc(I)c(O)c(I)c1)C(=O)O"	0	NA	NA	5	2	NA	"66024"
"209759"	"209759"	"thalictropine"	"COc1cc2CCN(C)C3Cc4cc(Oc5cc(OC)c(OC)cc5CC6N(C)CCc7cc(OC)c(OC)cc67)c(OC)cc4c(c1O)c23"	0	""	""	1	1	427204	"39032605"
"209835"	"209835"	"zygosporin a"	"CC1C\C=C\C2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)\C=C/C(C)(O)C1=O"	0	NA	NA	15	13	NA	"22144770"
"209870"	"209870"	"A 31438"	"CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C"	0	""	""	5	1	308371	"34698889"
"209926"	"209926"	"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-"	"CC(N1C(=O)CSC1=S)c2ccccc2"	0	""	""	2	2	99773	"23538081"
"209931"	"209931"	"4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol"	"Clc1c(Cl)c(Cl)c(CSC2=NC(=S)NC(=O)N2)c(Cl)c1Cl"	0	""	""	2	2	3003880	""
"210236"	"210236"	"Crassin"	"CC1CC(O)\C=C(/C)\CC\C=C(\C)/CC(O)C2CC1OC(=O)C2=C"	0	""	""	2	2	5357909	""
"210486"	"210486"	"SSA8WX9HQB"	"Cc1nc(N)nc(N)c1CCCc2ccccc2"	0	""	""	1	1	308637	"3977171"
"210717"	"210717"	"9 ohe hcl"	"[Cl-].Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13"	0	NA	NA	5	5	NA	"76448458"
"210739"	"210739"	"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea"	"NC(=O)NOCC1NC(=O)NC1=O"	0	""	""	1	1	308721	"53459362"
"210753"	"210753"	"19-Formylgeldanamycin tert-butylimine"	"COC1CC(C)CC2=C(OC)C(=O)C(=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O)\C=N\C(C)(C)C"	0	""	""	5	4	135476731	"62177100"
"210760"	"210760"	"Streptovaricin C triacetate"	"COC(=O)C1C(O)C(C)C(O)C(C)\C=C/C=C(\C)/C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\C(C)(O)C(O)C(C)C1O)\C.CC(=O)O"	0	NA	NA	5	1	NA	""
"210761"	"210761"	"Streptovaricin A diacetate"	"COC(=O)C1C(O)C(C)C(O)C(C)(O)\C=C\C=C(/C)\C(=O)Nc2c(C)c(OC(=O)C)c3C4=C(OCOC4=C(C)C(=O)c3c2O)\C(=C\C(C)(O)C(O)C(C)C1OC(=O)C)\C.CC(=O)O"	0	""	""	5	1	135539673	""
"210924"	"210924"	"2,4-Pyrimidinediamine, 6-[(bromotrichlorophosphoranyl)me..."	"Nc1nc(N)c(c(CP(Cl)(Cl)(Cl)Br)n1)c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	308827	""
"211193"	"211193"	"N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	309044	"17400361"
"211332"	"211332"	"2,4-diaminohexahydropyrimidine-5-carbonitrile"	"Nc1ncc(C#N)c(N)n1"	0	""	""	1	1	309160	""
"211370"	"211370"	"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid"	"Cc1nc(N)nc(N)c1CCCCc2ccc(N)cc2"	0	""	""	1	1	309191	""
"211488"	"211488"	"Pyrano[3,2-c]benzopyran-5-one, 4-(1,3-benzodioxol-5-yl)-..."	"COc1ccc(cc1OC)C2=CC(C3=C(O2)c4ccccc4OC3=O)c5ccc6OCOc6c5"	0	""	""	2	2	309279	""
"211489"	"211489"	"2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one"	"COc1ccc(cc1OC)C2C=C(OC3=C2C(=O)Oc4ccccc34)c5ccc6OCOc6c5"	0	""	""	2	2	309280	""
"211490"	"211490"	"4H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,4-bis(3,4-dime..."	"COc1ccc(cc1OC)C2C=C(OC3=C2C(=O)Oc4ccccc34)c5ccc(OC)c(OC)c5"	0	""	""	2	2	309281	""
"211500"	"211500"	"Nagilactone C"	"CC(C)C1=C2C(O)C3OC(=O)C4(C)C(O)C5OC5C(C)(C34)C2=CC(=O)O1"	0	NA	NA	5	2	NA	"24338532"
"212068"	"212068"	"2-Chloro-4-[[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride;bromide"	"FS(=O)(=O)c1ccc(C[n+]2cccc(NC(=O)COc3ccc(Cl)c(Cl)c3)c2)cc1Cl"	0	""	""	1	1	24196248	"25480733"
"212143"	"212143"	"2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-"	"Nc1nc(N)c(CCCCc2ccccc2)c(\C=C\c3ccc(cc3)[N+](=O)[O-])n1"	0	""	""	1	1	5930201	"17005355"
"212183"	"212183"	"IQF5NPS3ZY"	"Nc1nc(N)c(CCCCc2ccccc2)c(C=O)n1"	0	""	""	1	1	309754	"17005344"
"212446"	"212446"	"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine"	"Nc1nc(N)c(CCCCc2ccc(cc2)[N+](=O)[O-])c(N)n1"	0	""	""	2	2	309981	""
"212509"	"212509"	"withanolide e, 4-b-hydroxy-"	"CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	""	""	4	3	73621	"54334042"
"213989"	"213989"	"1-(2-Fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea"	"Fc1ccccc1NC(=O)Nc2ccc3NC(=S)Sc3c2"	0	""	""	1	1	3003893	""
"215139"	"215139"	"Bikaverin"	"COC1=CC(=O)c2c(O)c3C(=O)c4c(C)cc(OC)cc4Oc3c(O)c2C1=O"	0	""	""	4	2	36433	"33390215"
"215153"	"215153"	"Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II)"	"Cc1cc2N[Pt](Cl)(Cl)Nc2cc1C"	0	NA	NA	2	2	NA	"40580754"
"215254"	"215254"	"Liriodenine"	"O=C1c2ccccc2c3c4OCOc4cc5ccnc1c35"	0	NA	NA	1	1	NA	"475752"
"215721"	"215721"	"3-Bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide"	"Oc1ccc(Cl)cc1NC(=S)NC(=O)c2cccc(Br)c2"	0	""	""	1	1	3967840	""
"215999"	"215999"	"2-Chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide"	"COc1ccc(OC)c(c1)N(CCN2C(=O)c3ccccc3C2=O)C(=O)CCl"	0	""	""	2	2	310867	"20406648"
"216128"	"216128"	"Borrelidin"	"CC1CC(C)CC(C)C(O)\C(=C\C=C\CC(OC(=O)CC(O)C(C)C1)C2CCCC2C(=O)O)\C#N"	0	NA	NA	6	2	NA	"7184603"
"216135"	"216135"	"Fotretamine"	"C1CN(CCO1)p2(np(np(n2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7"	0	""	""	2	2	65800	"37132722"
"216183"	"216183"	"1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea"	"Cc1ccc(cc1NC(=O)Nc2cccc(F)c2)[N+](=O)[O-]"	0	""	""	1	1	310951	""
"217697"	"217697"	"Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-"	"CC1=CC(C)(C)Nc2ccc(Cc3ccc4NC(C)(C)C=C(C)c4c3)cc12"	0	""	""	1	1	99342	"41208075"
"218321"	"218321"	"PENTOSTATIN"	"OCC1OC(CC1O)n2cnc3[C@H](O)CNC=Nc23"	0	"Ds|AM|ADA"	"FDA approved"	50	3	NA	"53910251"
"218439"	"218439"	"Quinolinium, 1-methyl-4-[[4-[[[4-[(1-methylpyridinium-4-..."	"C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(cc45)[N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1"	0	""	""	3	2	5351265	""
"218440"	"218440"	"Quinolinium, 1-methyl-4-[[4-[[[4-[(1-methylpyridinium-4-..."	"C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(cc45)[N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1"	0	""	""	2	2	54610585	""
"218457"	"218457"	"ICRF 202"	"CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2"	0	""	""	2	2	311908	"36753170"
"218476"	"218476"	"6-thio-.beta.-d-glucopyranose, 6-(dimethylarsinite)"	"C[As](C)SCC1OC(O)C(O)C(O)C1O"	0	""	""	2	2	311912	"55094194"
"219241"	"219241"	"Phosphonium, (4,5-dihydro-5,5-dimethyl-1H-pyrazol-3-yl)t..."	"CC1(C)CC(=NN1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	21157570	"32251631"
"219498"	"219498"	"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine"	"Nc1nc(N)c2nc3CCCCCCCCCCc3nc2n1"	0	""	""	1	1	311931	"53274343"
"219733"	"219733"	"n,n'-di-9-acridinyl-1,6-hexanediamine"	"C(CCCNc1c2ccccc2nc3ccccc13)CCNc4c5ccccc5nc6ccccc46"	0	""	""	2	2	42875	"58903529"
"219734"	"219734"	"1,8-Octanediamine, N,N'-di-9-acridinyl- (9CI)"	"C(CCCCNc1c2ccccc2nc3ccccc13)CCCNc4c5ccccc5nc6ccccc46"	0	""	""	2	2	42559	"57780571"
"219977"	"219977"	"Chlorozorubicin hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccc(Cl)cc6)\C"	0	""	""	2	2	54610692	"66996530"
"220334"	"220334"	"Replaced CAS registry number(s): 66835-31-2"	"CCCCCCCCCCCCSC1=C(Cl)C(=O)C(=C(OC)C1=O)OC"	0	""	""	2	2	312122	"64102029"
"220471"	"220471"	"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide"	"CN(C)C(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	6	1	5925971	""
"220589"	"220589"	"Nifurquinazole"	"OCCN(CCO)c1nc(nc2ccccc12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	21139	"5055209"
"221019"	"221019"	"WORTMANNIN"	"COC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)[C@H]4CCC5=O)OC(=O)C)[C@]1(C)c23"	0	"PK:PIK3"	"Clinical trial"	1	1	312145	"19545267"
"221154"	"221154"	"dejo"	"CCN1\C(=C\C=C\C=C\c2sc3ccccc3[n+]2CC)\Sc4ccccc14"	0	NA	NA	2	2	NA	"514738"
"221265"	"221265"	"Benzoic acid, 3-nitro-, [[1-[4-[(3-amino-2,3,6-trideoxy-..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6cccc(c6)[N+](=O)[O-])\C"	0	""	""	2	2	54607142	"66996563"
"221266"	"221266"	"Benzoic acid, 3,4-dichloro-, [1-[4-[(3-amino-2,3,6-tride..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)c6ccc(Cl)c(Cl)c6)\C"	0	NA	NA	2	2	NA	"66996541"
"221659"	"221659"	"Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-7-(.beta.-D-mann..."	"COc1cc2CC[C@H](NC3OC(CO)C(O)C(O)C3O)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	NA	NA	2	2	NA	""
"221662"	"221662"	"colchicine analog"	"CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	8	4	NA	"76129118"
"222722"	"222722"	"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione"	"O=C1C(=C(Sc2ccc3ccccc3c2)C(=O)c4ccccc14)Sc5ccc6ccccc6c5"	0	""	""	1	1	312602	"18093431"
"224070"	"224070"	"AZIRIDINYL BENZOQUINONE"	"OCCNC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)NCCO"	0	""	""	4	2	124693	"59886543"
"224131"	"224131"	"N-Phosphonacetyl-L-aspartate"	"[Na+].OC(=O)CC(NC(=O)CP(=O)(O)O)C(=O)O"	0	"Ds"	""	14	6	NA	"60342565"
"224369"	"224369"	"WLN: T6NNVJ BR& DG EG"	"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2"	0	NA	NA	3	2	NA	"1698539"
"225112"	"225112"	"2,4,6-Quinazolinetriamine, N(6)-[(3,4-dichlorophenyl)met..."	"CCN(Cc1ccc(Cl)c(Cl)c1)c2ccc3nc(N)nc(N)c3c2C"	0	""	""	2	2	312901	"40066339"
"226080"	"226080"	"RAPAMYCIN"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1O"	0	"PK:STK,MTOR"	"FDA approved"	24	6	NA	"53123889"
"226798"	"226798"	"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine"	"COc1nc(Cl)c(Cl)c(Cl)n1.COc2nc(Cl)nc(Cl)c2Cl"	0	""	""	3	2	313216	""
"227185"	"227185"	"Violamycin B"	""	0	NA	NA	3	2	NA	""
"227262"	"227262"	"Bouvardia ternafolia"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1.COc6ccc(CC7N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C8Cc9ccc(O)c(Oc%10ccc(cc%10)C(O)C(N(C)C(=O)C(C)NC7=O)C(=O)N8C)c9)cc6"	0	""	""	2	2	11979533	""
"227279"	"227279"	"1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-"	"OCC1=C(CO)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	6	6	313371	"57999038"
"228082"	"228082"	"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide"	"[O-][N+](=O)c1ccc(N2CCOCC2)c3c1no[n+]3[O-]"	0	""	""	2	2	313562	"18378057"
"228099"	"228099"	"wln: t56 bnonj bo fnw i- at6n dntj dr d1"	"[O-][N+](=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c4c1no[n+]4[O-]"	0	""	""	2	1	43795	"61785840"
"228120"	"228120"	"Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide"	"COc1cccc(Sc2ccc(c3no[n+]([O-])c23)[N+](=O)[O-])c1"	0	""	""	2	2	313591	"53619480"
"228132"	"228132"	"Benzofurazan, 5-nitro-6-(1-piperidinyl)-, 1-oxide"	"[O-][N+](=O)c1cc2no[n+]([O-])c2cc1N3CCCCC3"	0	""	""	2	2	313603	"61785828"
"228155"	"228155"	"Benzofurazan, 4-nitro-7-(2-pyridinylthio)-, N-oxide"	"[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c3nonc13"	0	""	""	2	2	313619	""
"228178"	"228178"	"Palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-..."	"CC1=[N+]2N=C(N)N[Pd]2(Cl)Cl[Pd]3(Cl)N=C(N)N[N+]3=C1"	0	NA	NA	1	1	NA	""
"230683"	"230683"	"1-Propanone, 1-(4-fluorophenyl)-3-[(1,4,5,6-tetrahydro-2..."	"Fc1ccc(cc1)C(=O)CCSC2=NCCCN2"	0	""	""	2	2	24196628	""
"231660"	"231660"	"N-(4-Dimethylaminodiazenylphenyl)propanamide"	"CCC(=O)Nc1ccc(cc1)N=NN(C)C"	0	""	""	1	1	314336	"2084620"
"231984"	"231984"	"Quinolinium, 1-methyl-2,4-bis[2-(2,4,6-trimethoxyphenyl)..."	"COc1cc(OC)c(\C=C\c2cc(\C=C\c3c(OC)cc(OC)cc3OC)[n+](C)c4ccccc24)c(OC)c1"	0	NA	NA	2	2	NA	""
"231986"	"231986"	"4-[(Z)-2-(2-Methoxyphenyl)ethenyl]cinnoline"	"COc1ccccc1\C=C/c2cnnc3ccccc23"	0	""	""	1	1	54602268	""
"232002"	"232002"	"W-203158"	"OC(=O)\C=C\C1=CNC(=O)NC1=O"	0	""	""	6	1	869183	"37107805"
"233872"	"233872"	""	"CSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	5	3	NA	"61827198"
"233898"	"233898"	"oxidopamine"	"NCCc1cc(O)c(O)cc1O"	0	NA	NA	3	2	NA	"28094157"
"234214"	"234214"	"2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-"	"COC1=C(OC)C(=O)C(=CC1=O)Sc2ccc3ccccc3c2"	0	""	""	2	2	314728	"58511947"
"234486"	"234486"	"Cercosporin"	"COc1c(O)c2C(=O)C=C3OCOC4=CC(=O)c5c(O)c(OC)c(CC(C)O)c6c5c4c3c2c6c1CC(C)O"	0	""	""	1	1	2674	""
"234669"	"234669"	"scillarenin"	"C[C@]12CC[C@H](O)C=C1CC[C@@H]3[C@@H]2CC[C@]4(C)C(CC[C@]34O)C5=COC(=O)C=C5"	0	NA	NA	5	2	NA	"465225"
"234714"	"234714"	"Aphidicolin"	"CC1(CO)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO"	0	""	""	2	2	457964	"38966211"
"236580"	"236580"	"destruxin b"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	NA	NA	3	2	NA	"2503266"
"236613"	"236613"	"plumbagin"	"CC1=CC(=O)c2c(O)cccc2C1=O"	0	NA	NA	2	2	NA	"481425"
"236620"	"236620"	"Isoquinolinium, 2-methyl-1-[2-(2,4,6-trimethoxyphenyl)et..."	"COc1cc(OC)c(\C=C\c2c3ccccc3cc[n+]2C)c(OC)c1"	0	""	""	2	2	20832450	""
"236657"	"236657"	"viridomycin"	"COC1C(O)C2(C)\C=C\C=C\C=C\C=C\C(=O)NC(\C=C\C=C/C=C\C=C\C(C)(O)OC(=O)C2=C1O)c3ccccc3"	0	NA	NA	3	2	NA	"56509887"
"237020"	"237020"	"Largomycin F-II"	""	0	NA	NA	18	3	NA	""
"237068"	"237068"	"Ellipticine N-oxide"	"Cc1c2cc[n+]([O-])cc2c(C)c3c4ccccc4[nH]c13"	0	""	""	4	2	315033	"37687335"
"237106"	"237106"	"2-hydroxy-2-deaminoactinomycin c"	"CCC(C)C1NC(=O)C(NC(=O)C2=C(O)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)CC)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	3	2	428404	""
"237343"	"237343"	"Decanediimidamide, monohydrochloride"	"NC(=N)CCCCCCCCC(=N)N"	0	""	""	1	1	21144633	""
"237538"	"237538"	"2,4-Thiazolidinedione, 5-(3-phenyl-2-propenylidene)-"	"O=C1NC(=O)\C(=C\C=C\c2ccccc2)\S1"	0	""	""	2	2	1377751	"5835541"
"237671"	"237671"	"actinomycin x4357g methoxime"	"CO\N=C\1/CC(C)N2C1C(=O)N(C)CC(=O)N(C)C(C)C(=O)OC(CO)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7C(O)CC(C)N7C(=O)C(NC6=O)C(C)C)c5N=C34)C)C(=O)NC(C(C)C)C2=O"	0	""	""	3	3	9573583	""
"237677"	"237677"	"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione"	"CCCCCCCCSC1=CC(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	315063	"64101979"
"238159"	"238159"	"Nocodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3"	0	"Tu-stab"	""	7	4	NA	"31430189"
"238181"	"238181"	"Isobrucein B"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)C(OC(=O)C)[C@@H]24"	0	NA	NA	2	2	NA	"53663039"
"238187"	"238187"	"Ailanthinone"	"CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]34)C)OC1=O"	0	NA	NA	2	2	NA	"53683731"
"239072"	"239072"	"MEZEREIN"	"CC1C(OC(=O)\C=C\C=C\c2ccccc2)C3(OC4(OC3C5C6OC6(CO)C(O)C7(O)C(C=C(C)C7=O)C15O4)c8ccccc8)C(=C)C"	0	NA	NA	2	2	NA	"34807415"
"239272"	"239272"	"(3E)-3-(1-Anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione"	"C\C(=C\1/C(=O)NC(Cc2ccc(F)cc2)C1=O)\Nc3ccccc3"	0	""	""	1	1	135468176	"59876458"
"239273"	"239273"	"2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(p..."	"C\C(=C\1/C(=O)NC(Cc2cccc(F)c2)C1=O)\Nc3ccccc3"	0	""	""	2	2	135468177	"59876447"
"239336"	"239336"	"bhac"	"CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	NA	"55726471"
"239375"	"239375"	"Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4C(=O)C(=CC(=O)c4c3C2=O)NC(=O)\C(=C/C=C/C(C)C(OC=O)C(C)C(O)C(C)C(OC(=O)C)C1C)\C"	0	NA	NA	5	3	NA	"51757109"
"239400"	"239400"	"14-Morpholinodaunomycin monohydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CN6CCOCC6"	0	""	""	10	5	24196812	"60833149"
"239724"	"239724"	"cis-4-oh ccnu"	"O[C@@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O"	0	NA	NA	2	1	NA	"52049260"
"239749"	"239749"	"Mdl 19152"	"CC1=C(\C=C\C(=O)NC(CO)CS(=O)Cc2ccccc2)C(=O)NC(=O)N1"	0	""	""	6	1	6105995	""
"240386"	"240386"	"Spiro(imidazolidine-4,1'-(1H)indene)-2,5-dione, 6'-[bis(..."	"ClCCN(CCCl)c1ccc2CCC3(NC(=O)NC3=O)c2c1"	0	""	""	2	2	315310	""
"240419"	"240419"	"Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylph..."	"CC(Br)CN(CC(C)Br)c1ccc(N=Nc2ccccc2C(=O)O)c(C)c1"	0	""	""	2	2	38312	"39669493"
"240529"	"240529"	"2,5-Cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]..."	"CC1=CC(=Nc2ccc(cc2)N(CCCl)CCCl)C=C(C)C1=O"	0	""	""	2	2	116416	""
"240533"	"240533"	"Benzeneethanamine, 4-[bis(2-chloroethyl)amino]-, monohyd..."	"NCCc1ccc(cc1)N(CCCl)CCCl"	0	NA	NA	1	1	NA	""
"240553"	"240553"	"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8..."	"COc1cc(cc(OC)c1OC)C2C3C(CO)C(OC3=O)c4cc5OCOc5cc24"	0	""	""	2	2	315392	"821018057"
"240579"	"240579"	"4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol"	"CN(C)c1ccc(\C=C\c2ccnc3c(O)cccc23)cc1"	0	""	""	2	2	5868340	"796463"
"240755"	"240755"	"1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chlorome..."	"ClCCn1c(CCl)nc2ccc(Cl)cc12"	0	""	""	2	2	315496	""
"240800"	"240800"	"N,N'-Bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine"	"C(CCNc1ccc2nc3c(ccc4ccccc34)cc2c1)CNc5ccc6nc7c(ccc8ccccc78)cc6c5"	0	""	""	1	1	315508	""
"241240"	"241240"	"Carboplatin"	"N[Pt+2]1(N)[O-]C(=O)C2(CCC2)C(=O)[O-]1"	0	"A7|AlkAg"	"FDA approved"	58	6	NA	"41575944"
"241494"	"241494"	"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione"	"CC(C)CCSC1=CC(=O)c2ccccc2C1=O"	0	""	""	2	2	315743	""
"241509"	"241509"	"2-Propenamide, N-[2-(butylsulfinyl)-1-(hydroxymethyl)eth..."	"CCCCS(=O)CC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	6	2	NA	""
"242557"	"242557"	"malonoben"	"CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C"	0	""	""	4	2	5614	"10537470"
"243022"	"243022"	"cinerubin a hcl"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC"	0	NA	NA	3	2	NA	""
"243023"	"243023"	"cinerubin b hcl"	"CCC1(O)CC(OC2CC(C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)N(C)C)c6c(O)c7C(=O)c8c(O)ccc(O)c8C(=O)c7cc6C1C(=O)OC"	0	NA	NA	16	5	NA	""
"243046"	"243046"	"lasalocid"	"CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O"	0	NA	NA	2	1	NA	"25999206"
"243115"	"243115"	"Econazole nitrate"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1"	0	""	"FDA approved"	2	1	NA	"68797319"
"243928"	"243928"	"Ethanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphen..."	"CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	151601	""
"243929"	"243929"	"1-Propanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyp..."	"CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	148870	""
"243930"	"243930"	"1-Butanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyph..."	"CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc4ccccc24)c(OC)c1"	0	""	""	2	2	316348	""
"244404"	"244404"	"[(9E,21Z)-28-(1,3-Dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21"	"COC1\C=C\OC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C\C=C/C(C)C5OC(C)(C)OC(C(C)C(OC(=O)C)C1C)C5C)\C)c(C6SCCS6)c(O)c4c3C2=O"	0	""	""	1	1	54610764	""
"244425"	"244425"	"triostin a"	"CC(C)C1N(C)C(=O)C2CSSCC(N(C)C(=O)C(C)NC(=O)C(COC1=O)NC(=O)c3cnc4ccccc4n3)C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c5cnc6ccccc6n5)C(=O)NC(C)C(=O)N2C"	0	NA	NA	3	1	NA	"13758275"
"244426"	"244426"	"Streptogramin A"	"CC(C)C1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)CC(O)\C=C(\C)/C=C\CNC(=O)\C=C/C1C)n3"	0	NA	NA	1	1	NA	"21411530"
"244697"	"244697"	"Phosphorus(1+), (2,4-dimethoxyphenyl)tris(N-ethylethanam..."	"CCN(CC)[P+](N(CC)CC)(N(CC)CC)c1ccc(OC)cc1OC"	0	""	""	1	1	54612203	""
"244708"	"244708"	"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, ethyl ..."	"CCOC(=O)c1cc(c(Sc2ncnc3nc[nH]c23)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	3938430	"59921641"
"244714"	"244714"	"Benzoic acid, 3,5-dinitro-2-(1H-purin-6-ylthio)-, ethyl ..."	"CCOC(=O)c1cc(cc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	4331266	"59921594"
"245006"	"245006"	"[1,1'-Binaphthalene]-2,2',3,3'-tetrol"	"Oc1cc2ccccc2c(c1O)c3c(O)c(O)cc4ccccc34"	0	""	""	2	2	316673	"39215219"
"245341"	"245341"	"1,3-Benzenediol, 5-[bis(2-chloroethyl)amino]-, dicarbama..."	"NC(=O)Oc1cc(OC(=O)N)cc(c1)N(CCCl)CCCl"	0	""	""	1	1	316843	"54845157"
"245398"	"245398"	"4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate"	"CC1CC[P+](c2ccccc2)(c3ccccc3)c4c1ccc5ccccc45"	0	""	""	2	2	498151	"54230169"
"245426"	"245426"	"[6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-trimethylazanium;chloride"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(C(O)C(C)O5)[N+](C)(C)C)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	24197028	"80324545"
"245432"	"245432"	"Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-ac..."	"CC(=O)OCC1OC(NC(=O)N(CCCl)N=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	1	NA	"42936801"
"245456"	"245456"	"Naphthalene, 2,3-dimethoxy-6-(2-nitroethenyl)-"	"COc1cc2ccc(\C=C/[N+](=O)[O-])cc2cc1OC"	0	""	""	2	1	5358372	""
"246012"	"246012"	"AGN-PC-0NI726"	"COc1cc2c[n+](C)c3c4ccccc4ccc3c2cc1OC"	0	""	""	2	2	12237796	"56516837"
"246014"	"246014"	"Benzo[c]phenthridinium, 3-hydroxy-2,8,9-trimethoxy- 5-me..."	"COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1O"	0	NA	NA	2	2	NA	"56517352"
"246112"	"246112"	"maiq i"	"Cc1cnc(\C=N\NC(=S)N)c2cccc(N)c12"	0	""	""	2	2	20843053	""
"246129"	"246129"	"Antibiotic B 58941B"	"CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C3(C)OC3C1C"	0	NA	NA	1	1	NA	"25339906"
"246131"	"246131"	"Valrubicin"	"CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	"TOP2"	"FDA approved"	3	3	NA	"56124620"
"246399"	"246399"	"STK522977"	"O=C1CSC(=S)N1Cc2cccnc2"	0	""	""	1	1	317081	"51216581"
"246406"	"246406"	"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine"	"Clc1cccc(Cl)c1C2CSc3ccccc3N=C2c4ccccc4"	0	""	""	1	1	317088	""
"246407"	"246407"	"Bio7F3"	"[O-][N+](=O)c1cccc(c1)C2CC(=Nc3ccccc3S2)c4ccccc4"	0	""	""	1	1	317089	"60246868"
"246968"	"246968"	"ACM32409953"	"ClCCC(=O)N1C=Cc2ccccc2C1C#N"	0	""	""	2	2	317098	"32409953"
"246981"	"246981"	"LS-150174"	"CCCCN1CSC(=S)N(Cc2ccccc2)C1"	0	""	""	2	1	99601	"21808800"
"247022"	"247022"	"4jr5"	"O=S(=O)(N1CCCCC1)c2ccc(NC(=S)NCc3cccnc3)cc2"	0	""	""	1	1	2803102	""
"247562"	"247562"	"prodiginine hcl, butylcycloheptyl-"	"CCCCC1CCCCCCc2[nH]c(\C=C\3/N=C(C=C3OC)c4ccc[nH]4)cc12"	0	NA	NA	2	2	NA	""
"248040"	"248040"	"1-Acridin-9-ylpiperidin-4-ol"	"OC1CCN(CC1)c2c3ccccc3nc4ccccc24"	0	""	""	1	1	317251	""
"248436"	"248436"	"guanosine, 6-thio-, platinum complex (9ci)"	"Br.Br.[Pt].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1"	0	NA	NA	2	2	NA	"57588031"
"248605"	"248605"	"julimycin b2"	"CC(OC(=O)C)C1C2=C(C(=O)CC1(C)O)C(=O)c3c(O)c(ccc3C2=O)c4ccc5C(=O)C6=C(C(=O)CC(C)(O)C6C(C)OC(=O)C)C(=O)c5c4O"	0	NA	NA	2	2	NA	"18126051"
"249278"	"249278"	"Carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(..."	"CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	6	2	NA	"63620519"
"249910"	"249910"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(Cl)c5ccccc5nc34)C2=O"	0	"TOP1"	""	5	5	NA	"41646053"
"249911"	"249911"	"1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12H)-on..."	"CCC1C(O)OCC2=C1C=C3N(Cc4c(Cl)c5ccccc5nc34)C2=O"	0	""	""	2	2	317561	"57182931"
"249956"	"249956"	"Chapliatrin"	"C\C=C(/COC(=O)C)\C(=O)OC1CC2(C)CCC(O)C(COC(=O)C)C(O2)C3OC(=O)C(=C)C13"	0	NA	NA	2	2	NA	""
"249991"	"249991"	"(-)-Ruboskyrin"	"Cc1cc(O)c2C(=O)C3=C(C4C(O)C(C3=O)C56C4C(O)CC(=C5C(=O)c7c(O)cc(C)c(O)c7C6=O)O)C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"249992"	"249992"	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	132	121	2179	"51264143"
"249995"	"249995"	"Autumnolide"	"CC1CC2OC(=O)C(=C)C2C(O)C3(C)C(O)C4OC4C13"	0	""	""	6	1	442171	"20505322"
"250293"	"250293"	"1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-..."	"CC(Cc1ccc(O)cc1)NCC(O)c2ccc(O)c(O)c2"	0	""	""	1	1	317587	"13263586"
"250427"	"250427"	"pt 195"	"O=S1(=O)O[Pt]2(NC3CCCCC3N2)O1"	0	NA	NA	2	1	NA	""
"250682"	"250682"	"ISODONOL"	"CC1(C)CC[C@H](O)[C@@]23CO[C@@](O)([C@@H](O)[C@H]12)C45[C@H](O)C(CC[C@@H]34)C(=C)C5=O"	0	NA	NA	1	1	NA	"28957042"
"250684"	"250684"	"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	4	4	317641	"55726459"
"250686"	"250686"	"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-"	"CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	2	2	317642	"55726426"
"251190"	"251190"	"[1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZINECARBODITHIOIC ACID, ..."	"CSC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	2	2	5947235	"26151768"
"251198"	"251198"	"4,5-DIHYDRO-7,8-DIMETHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BET..."	"COc1cc2CCc3cnn(C4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)c3c2cc1OC"	0	""	""	2	1	317776	"57595730"
"251219"	"251219"	"5-AMINO-1-METHYL-1H-IMIDAZOLE-4-CARBOSELENOAMIDE"	"Cn1cnc(C(=[Se])N)c1N"	0	""	""	2	2	6327958	""
"251534"	"251534"	"(1'.BETA.)-6,6'-DIMETHOXY-2,2'-DIMETHYLBERBAMAN-7,12-DIOL"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(Oc(c1O)c23)cc67)cc5)c4"	0	""	""	2	1	98409	"57377421"
"251667"	"251667"	"ERIOFLORIN ACETATE"	"CC(=O)OC1CC2OC2(C)CC(OC(=O)C(=C)C)C3C(OC(=O)C3=C)\C=C\1/C"	0	""	""	2	2	5358418	"27542230"
"251668"	"251668"	"Ovatifolin acetate"	"CC(=O)OC\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C)\C"	0	NA	NA	2	2	NA	"75521685"
"251677"	"251677"	"tetrol fr. taxus brevifolia"	"CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)c4ccccc4)C5(O)CC(O)C(=C(C(O)C3=O)C5(C)C)C"	0	""	""	3	3	125001	"32981865"
"251682"	"251682"	"jacaranone"	"COC(=O)CC1(O)C=CC(=O)C=C1"	0	NA	NA	2	1	NA	""
"251699"	"251699"	"DICENTRINE-(-)"	"COc1cc2C[C@H]3N(C)CCc4cc5OCOc5c(c34)c2cc1OC"	0	""	""	6	1	317843	"28832077"
"251757"	"251757"	"2-CHLORO-6-(4-CHLOROPHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE"	"ClC1=CC(=O)C=C(C1=O)c2ccc(Cl)cc2"	0	""	""	1	1	317884	""
"251805"	"251805"	"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester"	"COC(=O)C(F)C(Br)C(=O)OC"	0	NA	NA	2	2	NA	"1992934"
"251819"	"251819"	"2-Propenamide, N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)..."	"CC1=C(\C=C\C(=O)NC(CO)CS(=O)CS(=O)C)C(=O)NC(=O)N1"	0	""	""	5	2	6066399	""
"251820"	"251820"	"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide"	"CSCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	5	5	54600519	"61787302"
"252188"	"252188"	"2,5-Cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(..."	"CCCCCCCCSC1=C(Cl)C(=O)C(=C(OC)C1=O)OC"	0	""	""	1	1	318118	"66777024"
"252628"	"252628"	"1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-"	"Cn1cnc(c1[Se]c2ncnc3nc[nH]c23)[N+](=O)[O-]"	0	""	""	1	1	3879067	""
"252816"	"252816"	"sudan red b"	"Cc1cccc(c1)N=Nc2ccc(cc2C)N=Nc3c(O)ccc4ccccc34"	0	""	""	1	1	99631	"3176792"
"252844"	"252844"	"shikonin"	"CC(=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C"	0	NA	NA	2	2	NA	"517895"
"252898"	"252898"	"1-Hydroxy-3-adamantaneacetic acid"	"OC(=O)CC12CC3CC(CC(O)(C3)C1)C2"	0	""	""	1	1	429307	"17768364"
"252926"	"252926"	"oudenone k"	"[K+].CCCC1CCC(=C2C(=O)CCC2=O)O1"	0	""	""	1	1	5458488	""
"252940"	"252940"	"Gnidimacrin (G-1)"	"CC1CCCCCCC(O)C23OC4C5C6OC6(CO)C(O)C7(O)C(OC(=O)c8ccccc8)C(C)C1C7C5(O2)C(COC(=O)c9ccccc9)CC4(O3)C(=C)C"	0	""	""	2	2	429314	""
"253272"	"253272"	"CARACEMIDE"	"CNC(=O)ON(C(=O)C)C(=O)NC"	0	""	""	15	6	54747	"81424671"
"253995"	"253995"	"piperidinium europium benzoyl trifluoroacetonate"	"FC(F)(F)C1=[O][Eu+3]234([O]=C(CC(=[O]2)C(F)(F)F)c5ccccc5)([O]=C(CC(=[O]3)C(F)(F)F)c6ccccc6)([O]=C(CC(=[O]4)C(F)(F)F)c7ccccc7)[O]=C(C1)c8ccccc8"	0	""	""	1	1	11979537	"17904788"
"254665"	"254665"	"JUSTICIDIN B"	"COc1ccc(cc1OC)c2c3COC(=O)c3cc4cc5OCOc5cc24"	0	""	""	2	2	122805	"5707960"
"254677"	"254677"	"Phomazarin"	"CCCCc1c(OC)cc(O)c2C(=O)C3=C(NC(=C(O)C3=O)C(=O)O)C(=O)c12"	0	""	""	1	1	318385	""
"254681"	"254681"	"12-Iminodaunorubicin HCl"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=N)c12)C(=O)C"	0	NA	NA	20	8	NA	"67324996"
"255025"	"255025"	"Bionet2_000480"	"O=S1(=O)CCN(Cc2ccccn2)CC1"	0	""	""	1	1	318461	""
"255088"	"255088"	"2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid"	"OC(=O)C(Br)C(Br)c1ccccc1[N+](=O)[O-]"	0	""	""	1	1	318492	"70321334"
"255104"	"255104"	"geldanamycin analog"	"COC1CC(C)CC2=C(O)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	""	""	2	2	5358467	"52762284"
"255105"	"255105"	"GELDANAMYCIN ANALOG"	"COC1CC(C)CC2=C3Oc4cc(Br)ccc4N=C3C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	""	""	5	4	135468235	"64202831"
"255108"	"255108"	"hydrogeldanamycin-18,21-diacetate"	"COC1CC(C)Cc2c(OC)c(OC(=O)C)cc(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)c2OC(=O)C"	0	""	""	2	1	5358471	"30562357"
"255109"	"255109"	"geldanamycin analog"	"COC1CC(C)CC2=C(N)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	4	2	NA	"64202819"
"255111"	"255111"	"19-Formylgeldanamycin N-piperidinoimine"	"COC1CC(C)CC2=C(OC)C(=O)C(=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O)\C=N\N3CCCCC3"	0	NA	NA	2	1	NA	"65764445"
"255523"	"255523"	"N6-Benzyladenosine-5'-phosphate"	"OC1C(COP(=O)(O)O)OC(C1O)n2cnc3c(NCc4ccccc4)ncnc23"	0	NA	NA	2	2	NA	"13484667"
"255917"	"255917"	"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-..."	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	NA	""
"255980"	"255980"	""	"OCC1OC(Oc2cccc3C(=O)c4cccc(O)c4C(=O)c23)C(O)C(O)C1O"	0	NA	NA	1	1	NA	""
"256420"	"256420"	"helatac"	"CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1"	0	""	""	2	2	26596	"14255879"
"256438"	"256438"	"Medorubicin"	"CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CO"	0	NA	NA	3	2	NA	"64363639"
"256439"	"256439"	"Idarubicin"	"CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C"	0	"TOP2"	"FDA approved"	7	4	NA	"57852570"
"256442"	"256442"	""	"COc1cc(OC)c(\C=C/c2ccnc3ccccc23)c(OC)c1"	0	NA	NA	1	1	NA	""
"256926"	"256926"	"hyrcanoside"	"C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](CC[C@]34C=O)OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)[C@@]1(O)CCC2C7=CC(=O)OC7"	0	NA	NA	2	2	NA	"15001931"
"256927"	"256927"	"CHIP"	"CC(C)N[Pt](O)(O)(Cl)(Cl)NC(C)C"	0	"A7"	""	14	9	429536	"62928114"
"256942"	"256942"	"Epirubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	3	3	NA	"56390091"
"257450"	"257450"	"dermocylin"	"COc1c(O)c(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1O"	0	""	""	2	2	72742	"7229698"
"257473"	"257473"	"Clotrimazole"	"Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4"	0	""	"FDA approved"	3	1	NA	"23593751"
"258168"	"258168"	"2,6-Pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-"	"N#Cc1nc(C#N)c(Sc2ccccc2)c(Sc3ccccc3)c1Sc4ccccc4"	0	""	""	2	2	318768	"53862547"
"258625"	"258625"	"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione"	"CC1(C)C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2"	0	""	""	1	1	318804	""
"258812"	"258812"	"N,N-Dimethyldaunomycin hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	11	3	NA	"70095840"
"259272"	"259272"	"ARA-AMP"	"Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O"	0	NA	NA	6	2	NA	"71002103"
"259726"	"259726"	"DEOXYELEPHANTOPIN"	"CC(=C)C(=O)O[C@H]1CC2=CC(C\C(=C\[C@H]3OC(=O)C(=C)C13)\C)OC2=O"	0	NA	NA	1	1	NA	"29307037"
"259968"	"259968"	"bouvardin"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(cc5)C(O)C(N(C)C(=O)C(C)NC2=O)C(=O)N3C)c4)cc1"	0	NA	NA	14	10	NA	"64755142"
"259969"	"259969"	"deoxyBouvardin"	"COc1ccc(CC2N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C3Cc4ccc(O)c(Oc5ccc(CC(N(C)C(=O)C(C)NC2=O)C(=O)N3C)cc5)c4)cc1"	0	NA	NA	7	7	NA	"64725242"
"260179"	"260179"	"NEOAUREOTHIN"	"COC1=C(C)C(=O)C(=C(O1)C2C\C(=C\C(=C\C(=C\C(=C\c3ccc(cc3)[N+](=O)[O-])\C)\C)\C)\CO2)C"	0	""	""	2	2	5352028	"59795947"
"260594"	"260594"	"Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)am..."	"CN1C=CC(=Nc2ccc(NC(=O)c3ccc(cc3)\N=C\4/C=CN(C)c5ccc(cc45)[N+](=O)[O-])cc2)C=C1"	0	""	""	1	1	319089	""
"260610"	"260610"	"1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-"	"COc1ccc2c(NCCCCCCNc3c4ccccc4nc5cc(OC)ccc35)c6ccccc6nc2c1"	0	""	""	2	2	319095	"67047170"
"260642"	"260642"	"Benzenamine, 4-[(8,10-dihydro-8-imino-7-methyl-10-phenyl..."	"CN(C)c1ccc(cc1)N=Nc2ccc3N=C4C=C(C)C(=N)C=C4N(c5ccccc5)c3c2"	0	""	""	2	2	24197339	""
"260922"	"260922"	"phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-"	"Oc1ccc(SCc2ccc(NCc3ccccc3)cc2)cc1"	0	""	""	1	1	319188	""
"261045"	"261045"	"N,N-Dimethyladriamycin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(C)C)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	3	2	NA	"67106767"
"261726"	"261726"	"Dezaguanine"	"NC1=Cc2[nH]cnc2C(=O)N1"	0	""	""	8	2	55710	"41729526"
"263434"	"263434"	"N,N'-Bis(3-methoxy-9-acridinyl)-1,8-octanediamine"	"COc1ccc2c(NCCCCCCCCNc3c4ccccc4nc5cc(OC)ccc35)c6ccccc6nc2c1"	0	""	""	2	2	99670	"64955562"
"263601"	"263601"	"GHQVMARKZDBYKZ-UHFFFAOYSA-N"	"COc1ccc(CC#N)c(OCc2ccccc2)c1"	0	""	""	1	1	319408	"32884256"
"263625"	"263625"	"2-(2,4,5-Trimethoxystyryl)benzothiazole"	"COc1cc(OC)c(\C=C\c2nc3ccccc3s2)cc1OC"	0	""	""	1	1	5790338	""
"263626"	"263626"	"Quinolinium, 1-butyl-2-[2-(2,4,6-trimethoxyphenyl)etheny..."	"CCCC[n+]1c(\C=C\c2c(OC)cc(OC)cc2OC)ccc3ccccc13"	0	""	""	2	2	54601751	""
"263637"	"263637"	"4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-p..."	"O=C1NC(N=C2Oc3ccccc3C=C12)c4ccccc4"	0	""	""	2	2	319428	"52218083"
"263663"	"263663"	"Pyridinium, 3,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbo..."	"C[n+]1cccc(NC(=O)c2ccc(NC(=O)C34CCC(CC3)(CC4)C(=O)Nc5ccc(cc5)C(=O)Nc6ccc[n+](C)c6)cc2)c1"	0	""	""	1	1	54607338	""
"264045"	"264045"	"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine"	"Clc1cc2nsnc2c(Cl)n1"	0	""	""	1	1	319592	""
"264054"	"264054"	"mexicanin e"	"CC1CC2OC(=O)C(=C)C2CC3C1C=CC3=O"	0	NA	NA	3	3	NA	"5945404"
"264077"	"264077"	"Phosphonium, (2-bromoethyl)triphenyl-, bromide"	"BrCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	"7301931"
"264137"	"264137"	"Elliptinium Acetate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13"	0	"TOP2"	"Clinical trial"	11	10	NA	"58337352"
"264497"	"264497"	"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ..."	"CCCCCCCCOC(=O)c1cc(c(Sc2ncnc3nc[nH]c23)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	5	5	3560228	""
"264713"	"264713"	"calvatic acid"	"OC(=O)c1ccc(cc1)[N+](=NC#N)[O-]"	0	""	""	1	1	99679	"54723089"
"264878"	"264878"	"Kauranol"	"[R]O.CC1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3"	0	""	""	1	1	623309	""
"264880"	"264880"	"DIHYDRO-5-AZACYTIDINE"	"NC1=NCN(C2OC(CO)C(O)C2O)C(=O)N1"	0	"DNMT"	""	14	12	NA	"62402317"
"264938"	"264938"	"1-Benzo[a]phenothiazin-12-yl-2-chloroethanone"	"ClCC(=O)N1c2ccccc2Sc3ccc4ccccc4c13"	0	""	""	2	2	319735	""
"265203"	"265203"	"MULTIGILIN"	"C\C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@H](O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C"	0	""	""	6	4	5281486	""
"265204"	"265204"	"1,2,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride"	"Nc1on[n+](n1)c2ccccc2"	0	""	""	1	1	319742	"29185339"
"265211"	"265211"	"Marcellomycin"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5[C@H]1C(=O)OC"	0	""	""	6	3	319748	"63710101"
"265450"	"265450"	"nogamycin"	"COC1C(C)OC(OC2CC(C)(O)Cc3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC"	0	""	""	15	8	319846	"64267465"
"265459"	"265459"	"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))- (9CI)"	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	NA	"61848622"
"265460"	"265460"	"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1R-trans))- (9CI)"	"Cl[Pt]1(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	NA	"61848666"
"265473"	"265473"	"2-Propenamide, N-[2-(decylthio)-1-(hydroxymethyl)ethyl]-..."	"CCCCCCCCCCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	5	5	NA	"61786741"
"265875"	"265875"	"1H-Imidazole-4-methanaminium, N-hexadecyl-N-(2-hydroxyet..."	"CCCCCCCCCCCCCCCC[N+](C)(CCO)Cc1c[nH]cn1"	0	""	""	1	1	21144688	"57879466"
"265959"	"265959"	"6H-Cyclopenta[c][1,8]phenanthrolin-6-one, 5,7,8,9-tetrah..."	"O=C1Nc2c(ccc3cnccc23)C4=C1CCC4"	0	""	""	2	1	319904	"66262746"
"266032"	"266032"	"7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-6-(hydroxy..."	"OC[C@]12O[C@H]1C(=O)C=C[C@@H]2O"	0	""	""	2	2	319924	"55164608"
"266046"	"266046"	"Oxaliplatin"	"O=C1C(=O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	"A7|AlkAg"	"FDA approved"	3	2	NA	"61825943"
"266047"	"266047"	"Platinum, (1,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))- (9CI)"	"O=C1CC(=O)[O-][Pt]2(N[C@@H]3CCCC[C@H]3[NH+2]2)[O-]1"	0	NA	NA	3	2	NA	"61848655"
"266068"	"266068"	"L-Leucine, N-[4-[bis(2-chloroethyl)amino]-DL-phenylalany..."	"CCOC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccc(cc1)N(CCCl)CCCl"	0	""	""	3	3	429865	""
"266186"	"266186"	"huratoxin"	"CCCCCCCCC\C=C\C=C\[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)C4(O1)C(C)C[C@@]3(O2)C(=C)C"	0	NA	NA	3	3	NA	""
"266210"	"266210"	"Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCC(=O)N\N=C(/C)\C6(O)CC(OC7CC(N)C(O)C(C)O7)c8c(O)c9C(=O)c%10c(OC)cccc%10C(=O)c9c(O)c8C6)\C"	0	""	""	2	2	9573613	"70095839"
"266491"	"266491"	"psorspermin"	"COc1cc2OCC(c2c3Oc4c(O)cccc4C(=O)c13)C5(C)CO5"	0	""	""	3	3	429905	"74045979"
"266494"	"266494"	"Simalikalactone D"	"CCC(C)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@]24[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O"	0	NA	NA	3	2	NA	"35321803"
"266743"	"266743"	"Hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methyle..."	"NC(=S)N\N=C\c1ccc(N)cn1"	0	""	""	2	2	9556467	""
"266748"	"266748"	"Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl..."	"CNc1cccnc1\C=N\NC(=S)N"	0	""	""	2	2	9555629	""
"266763"	"266763"	"2-Propenamide, N-[2-(decylsulfinyl)-1-(hydroxymethyl)eth..."	"CCCCCCCCCCS(=O)CC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	""	""	6	4	5358593	""
"267033"	"267033"	"Trichodermin"	"CC(=O)O[C@H]1C[C@@H]2OC3C=C(C)CCC3(C)[C@@]1(C)[C@@]24CO4"	0	NA	NA	4	2	NA	"4682502"
"267213"	"267213"	"Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]- (9CI)"	"COc1ccc(cc1)S(=O)(=O)N\N=C\C(=O)O"	0	""	""	8	2	5351283	"75968217"
"267229"	"267229"	"Pyrromycin"	"CC[C@@]1(O)C[C@H](OC2CC(C(O)C(C)O2)N(C)C)c3c(O)c4C(=O)c5c(O)ccc(O)c5C(=O)c4cc3[C@H]1C(=O)OC"	0	NA	NA	6	3	NA	"668177"
"267239"	"267239"	"Fastigilin A"	"C\C=C(/C)\C(=O)OC1C2C(C)C(=O)OC2C(O)C(C)C3C=CC(=O)C13C"	0	""	""	2	1	5458512	"6995104"
"267319"	"267319"	"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol"	"Oc1c(Cl)c(Cl)c(O)c2CCCCc12"	0	""	""	1	1	320303	"16368835"
"267461"	"267461"	"Nanaomycin"	"C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O"	0	NA	NA	4	4	NA	"52934835"
"267469"	"267469"	"Deoxydoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)CC(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	""	24	12	NA	"63950061"
"267589"	"267589"	"(2Z)-2-[[3-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1cccc(\C=C\2/Sc3ccccc3NC2=O)c1"	0	""	""	1	1	5476828	""
"267694"	"267694"	"Cinerubin A hydrochloride"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6cc5C1C(=O)OC"	0	NA	NA	2	1	NA	""
"267707"	"267707"	"Cedronine"	"CC1=CC(=O)C(O)C2(C)C1CC(O)C34COC5(C)C(OC(=O)C35)C(O)C24"	0	NA	NA	1	1	NA	""
"267709"	"267709"	"undulatone"	"C\C=C(/C)\C(=O)OC1C2OC(=O)C(OC(=O)C)C3C(C)C(O)C4(O)OCC23C4C5(C)C(O)C(=O)C=C(C)C15"	0	NA	NA	5	3	NA	"70993770"
"267712"	"267712"	"RESIBUFOGENIN, METHACRYLATE DERIV"	"CC(=C)C(=O)OC1CCC2(C)C(CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6)C1"	0	""	""	5	3	320371	""
"267713"	"267713"	"Digitoxigenin glycoside"	""	0	NA	NA	2	1	NA	""
"268222"	"268222"	"(2Z)-2-[[4-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1ccc(\C=C\2/Sc3ccccc3NC2=O)cc1"	0	""	""	1	1	5476834	""
"268226"	"268226"	""	"CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)C"	0	NA	NA	2	2	NA	"20268933"
"268239"	"268239"	"5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihyd..."	"CCN(CC)C1CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O"	0	NA	NA	2	1	NA	"70844096"
"268242"	"268242"	"N,N-Dibenzyldaunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N(Cc6ccccc6)Cc7ccccc7)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	""	16	6	5351284	"70878512"
"268251"	"268251"	".beta.-L-Glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methy..."	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3nc[nH]c23)C(O)C1O"	0	""	""	5	3	4366047	"67642368"
"268617"	"268617"	"Benzenamine, 4-[2-(7,8-dimethyl-4-quinolinyl)ethenyl]-N,..."	"CN(C)c1ccc(\C=C\c2ccnc3c(C)c(C)ccc23)cc1"	0	""	""	1	1	5952858	""
"268665"	"268665"	"4-Amino-1-[6-(hydroxymethyl)-2,2-diphenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl]pyrimidin-2-one"	"NC1=NC(=O)N(C=C1)C2OC(CO)C3O[Sn](OC23)(c4ccccc4)c5ccccc5"	0	""	""	1	1	16682876	""
"268690"	"268690"	"3-Pyridinecarboxylic acid, [(2,4-dihydroxyphenyl)methyle..."	"Oc1ccc(\C=N\NC(=O)c2cccnc2)c(O)c1"	0	""	""	1	1	135488764	""
"268695"	"268695"	"Benzoic acid, 2-(1-pyrrolidinyl)-, [(2-hydroxy-3-methoxy..."	"COc1cccc(\C=N\NC(=O)c2ccccc2N3CCCC3)c1O"	0	""	""	1	1	135502114	""
"268708"	"268708"	"5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alph..."	"COc1cccc2C(=O)c3c(O)c4C[C@H](O)C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12"	0	NA	NA	1	1	NA	"75363858"
"268804"	"268804"	"2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline"	"COc1cc(N(C)C)c(OC)cc1\C=C/c2ccnc3ccccc23"	0	""	""	1	1	54599355	"978165"
"268907"	"268907"	"Benzenesulfonamide, N-[2-(4,6-diamino-1,3,5-triazin-2-yl..."	"Nc1nc(N)nc(n1)c2ccccc2NS(=O)(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	320647	"94037486"
"268925"	"268925"	"Di-n-octyl-secalonsaure A"	"CCCCCCCCOC(=O)C12Oc3ccc(c(O)c3C(=O)C1=C(O)CC(C)C2O)c4ccc5OC6(C(O)C(C)CC(=C6C(=O)c5c4O)O)C(=O)OCCCCCCCC"	0	NA	NA	1	1	NA	""
"268965"	"268965"	"Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-"	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(C=O)cc1"	0	NA	NA	5	5	NA	"4248797"
"268986"	"268986"	"Dromilac"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	2	2	NA	"1239458"
"268993"	"268993"	"Deferoxamine Hydrochloride"	"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"	0	NA	NA	3	2	NA	"1950396"
"269121"	"269121"	"DALBERGIONE"	"COC1=CC(=O)C(=CC1=O)C(C=C)c2ccccc2"	0	NA	NA	2	2	NA	"28396750"
"269142"	"269142"	"ANGUIDINE DERIV SCIRPENTRIOL"	"CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]34CO4"	0	NA	NA	5	2	NA	"2270419"
"269146"	"269146"	"variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	3	2	NA	"12677111"
"269148"	"269148"	"MENOGARIL"	"CO[C@H]1C[C@](C)(O)Cc2cc3C(=O)c4c5O[C@@H]6O[C@@](C)([C@H](O)[C@H]([C@@H]6O)N(C)C)c5cc(O)c4C(=O)c3c(O)c12"	0	"TOP2"	""	23	16	NA	"71628961"
"269149"	"269149"	"Nogarene"	"CN(C)C1C(O)C2Oc3c4C(=O)c5cc6cc(C)ccc6c(O)c5C(=O)c4c(O)cc3C(C)(O2)C1O"	0	""	""	2	2	3751252	"71582542"
"269189"	"269189"	"THALICBERINE, O-METHYL"	"COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(Oc5cc6CCN(C)C(Cc7ccc(Oc1c2)cc7)c6cc5OC)c34"	0	NA	NA	1	1	NA	"5096719"
"269191"	"269191"	"Thalphenine chloride"	"COc1cc2CC[N+](C)(C)C3Cc4cc5OCOc5c6COc1c(c23)c46"	0	""	""	2	2	24197663	"39027979"
"269192"	"269192"	"8-trichloromethyldihydroberberine"	"COc1ccc2C=C3N(CCc4cc5OCOc5cc34)C(c2c1OC)C(Cl)(Cl)Cl"	0	""	""	1	1	320713	"50932224"
"269207"	"269207"	""	"CSC1=S[Zn]2(S=C(N[N+]2=C3CCCC3)SC)[N+](=C4CCCC4)N1"	0	NA	NA	1	1	NA	""
"269210"	"269210"	"C8H14N2S2"	"CSC(=S)NN=C1CCCCC1"	0	""	""	1	1	2830668	"26251649"
"269599"	"269599"	"Stannane, chlorohydroxydiphenyl-"	"O[Sn](Cl)(c1ccccc1)c2ccccc2"	0	""	""	2	2	6333579	"2984830"
"269719"	"269719"	"Estr-4-en-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O"	0	NA	NA	2	2	NA	"54025364"
"269720"	"269720"	"Androstan-17-one, 3-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O)OC(=O)N(CCCl)N=O"	0	""	""	2	2	320802	"54025217"
"269721"	"269721"	"Androstan-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo..."	"C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](OC(=O)N(CCCl)N=O)[C@@]4(C)CC[C@H]23"	0	""	""	2	2	320803	"54025353"
"269753"	"269753"	"modified new trichothecene"	"CC(O)C1OCC(O)C(C)CC(=O)OC[C@]23C[C@H](O)C(=C[C@H]2O[C@@H]4C[C@@H](OC(=O)\C=C/C=C/1)[C@@]3(C)[C@@]45CO5)C"	0	""	""	5	4	5352030	""
"269754"	"269754"	"modified new trichothecene"	"CC(O)C1OCC(O)C(C)CC(=O)OCC23CC(O)C(=CC2OC4CC(OC(=O)\C=C\C=C\1)C3(C)C45CO5)C"	0	NA	NA	12	8	NA	""
"269756"	"269756"	"Baccharinol"	"C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OC[C@]34C[C@@H](O)C(=C[C@H]3O[C@@H]5C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)C56CO6)C"	0	NA	NA	7	6	NA	"63783948"
"269757"	"269757"	"Baccharin"	"C[C@@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OCC34CCC5(C)O[C@H]5[C@H]3O[C@@H]6C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)[C@]67CO7"	0	NA	NA	3	3	NA	"61251976"
"269760"	"269760"	"isobaccharin"	"C[C@H](O)[C@@H]1OC[C@H](O)[C@@]2(C)O[C@@H]2C(=O)OCC34CC[C@@]5(C)O[C@H]5[C@H]3O[C@@H]6C[C@@H](OC(=O)\C=C/C=C/1)[C@@]4(C)[C@]67CO7"	0	""	""	3	3	5358646	"63814584"
"270046"	"270046"	"SAPELIN A"	"CC(C)(O)C1OCC(CC1O)C2CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC23C"	0	NA	NA	1	1	NA	"26790932"
"270057"	"270057"	"Hydroxypristimerin"	"COC(=O)C1(C)CC2C(C)(CCC3(C)C4=CC=C5C(=C(O)C(=O)C=C5C4(C)CCC23C)C)CC1O"	0	""	""	2	2	320914	"73246545"
"270693"	"270693"	"anhydrolycorinium chloride"	"C1Oc2cc3c[n+]4CCc5cccc(c3cc2O1)c45"	0	""	""	6	5	181302	"61221429"
"270718"	"270718"	"Probes1_000079"	"OC(=O)c1cc2C3C(C4C(c2cc1S(=O)(=O)O)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl)C6(Cl)C(=C(Cl)C3(Cl)C6(Cl)Cl)Cl"	0	""	""	1	1	430297	""
"270737"	"270737"	"2-(3-Nitrophenyl)-4-p-tolyl-2,3-dihydrobenzo[b][1,4]thia..."	"Cc1ccc(cc1)C2=Nc3ccccc3SC(C2)c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	321194	""
"270738"	"270738"	"2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1..."	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4"	0	""	""	1	1	321195	"60246879"
"270904"	"270904"	"4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-..."	"Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N)ccc23)c4ccc(N)cc4n1"	0	NA	NA	1	1	NA	""
"270919"	"270919"	"From Gnidia"	"CCCCC\C=C\C=C\C12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]6(O)[C@@H](C=C(C)C6=O)[C@@]4(O1)[C@H](C)[C@@H](OC(=O)c7ccccc7)[C@@]3(O2)C(=C)C"	0	""	""	2	2	6440205	"60195702"
"271271"	"271271"	"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol"	"COc1cc2CCCc3cnn(c4ccc(cc4)[N+](=O)[O-])c3c2cc1O"	0	""	""	1	1	321301	"71007755"
"271278"	"271278"	"(2Z)-2-[[2-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one"	"FC(F)(F)c1ccccc1\C=C\2/Sc3ccccc3NC2=O"	0	""	""	1	1	5476890	""
"271674"	"271674"	"Carboxyphthalatoplatinum"	"OC(=O)c1ccc2C(=O)O[Pt]3(NC4CCCCC4N3)OC(=O)c2c1"	0	"A7"	""	10	5	NA	"65296813"
"271952"	"271952"	"[1,3]Dioxolo[4,5-j]phenanthridinium, 5-methyl-, chloride"	"C[n+]1cc2cc3OCOc3cc2c4ccccc14"	0	""	""	1	1	14526905	"65367819"
"271967"	"271967"	"Methanaminium, N-[bis[4-(dimethylamino)phenyl]methylene]..."	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.OC(=O)c4ccccc4C(=O)[O-]"	0	NA	NA	2	2	NA	""
"272346"	"272346"	"1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolin..."	"Cc1cc(NCCCCCCCNc2cc(C)nc3cc(ccc23)[N+](=O)[O-])c4ccc(cc4n1)[N+](=O)[O-]"	0	NA	NA	3	2	NA	"64335064"
"272671"	"272671"	"pepstatin"	"CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)O"	0	NA	NA	1	1	NA	"26305033"
"273432"	"273432"	"Hexanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCCCC(=O)N\N=C(/C)\C6(O)CC(OC7CC(N)C(O)C(C)O7)c8c(O)c9C(=O)c%10c(OC)cccc%10C(=O)c9c(O)c8C6)\C"	0	""	""	2	2	9573626	"70074190"
"273808"	"273808"	""	"CC1CC[P+](c2ccccc2)(c3ccccc3)c4c1ccc5ccccc45"	0	NA	NA	2	2	NA	""
"273829"	"273829"	"4,7-quinolinediamine, n4,n4'-1,7-heptanediylbis[2-methyl-"	"Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c4ccc(N)cc4n1"	0	""	""	1	1	152481	"75919743"
"274539"	"274539"	"Olivomycin Transformation"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC(=O)C)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	NA	""
"274544"	"274544"	"Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium"	"FC(F)(F)c1nnnn1[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	1	6333596	""
"274547"	"274547"	"Gold, [.mu.-(5,5'-bi-1H-tetrazolato(2-)-N1:N1')]bis(trip..."	"[Au+](P(c1ccccc1)(c2ccccc2)c3ccccc3)[N-]4N=NN=C4C5=NN=N[N-]5[Au+]P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	4	2	6333597	""
"274548"	"274548"	"Gold, [.mu.-[[5,5'-methylenebis[1H-tetrazolato]](2-)-N(1..."	"C(c1nnnn1[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)c5nnnn5[Au]P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	2	6333598	""
"274551"	"274551"	"Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium"	"CN([Au]P(c1ccccc1)(c2ccccc2)c3ccccc3)c4nnnn4C"	0	""	""	2	2	6333600	""
"274553"	"274553"	"Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium"	"Cn1nnnc1N(Cc2ccccc2)[Au]P(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	2	2	6333602	""
"274554"	"274554"	"Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium"	"CCN([Au]P(c1ccccc1)(c2ccccc2)c3ccccc3)c4nnnn4CC"	0	""	""	2	1	6333603	""
"274555"	"274555"	"Gold, (2,3-dihydro-2-thioxo-4(1H)-pyrimidinonato-S)(trip..."	"O=C1N\C(=S\[Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)\NC=C1"	0	NA	NA	2	2	NA	""
"274556"	"274556"	""	"N=N=N[Au]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	6333604	"20224833"
"274557"	"274557"	""	"CC(=O)O[Au]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	"24169888"
"274893"	"274893"	"THALICARPINE TRANSFORMATION PRODUCT"	"COc1cc2c(CC3N(C)CCc4cc(OC)c(OC)c2c34)cc1Oc5ccc(OC)c6c5CC7N(C)CCc8cc(OC)c(OC)c6c78"	0	NA	NA	6	4	NA	""
"275428"	"275428"	"nybomycin deriv"	"CN(C)CC1=CC(=O)N(C)c2c3OCN4C(=O)C=C(C)c(cc12)c34"	0	""	""	2	1	24197834	""
"275647"	"275647"	"5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alph..."	"COCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1"	0	NA	NA	3	3	NA	"66678339"
"275656"	"275656"	"dioxadet"	"CC1(C)OCC(CO)(CO1)Nc2nc(nc(n2)N3CC3)N4CC4"	0	""	""	3	3	48858	"67026124"
"275890"	"275890"	""	"OCC(O)C(O)C(O)C(O)C(=O)NO"	0	NA	NA	3	2	NA	"24758698"
"275971"	"275971"	"Ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate"	"CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1"	0	""	""	2	2	321836	""
"276296"	"276296"	"palladium, bis(purine-6-thiolato)- (8ci)"	"N1C=NC2=S[Pd]3(S=C4N=CNc5ncn3c45)n6cnc1c26"	0	NA	NA	2	2	NA	"20224800"
"276299"	"276299"	"Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N..."	"NC1=NC2=S[Pt]3(S=C4N=C(N)Nc5[nH]c[n+]3c45)[n+]6c[nH]c(N1)c26"	0	NA	NA	2	2	NA	""
"276361"	"276361"	"1H-Pyrrole-3,4-dimethanol, 1-(4-butylphenyl)-2,5-dimethy..."	"CCCCc1ccc(cc1)n2c(C)c(COC(=O)NC)c(COC(=O)NC)c2C"	0	""	""	1	1	321869	"64618571"
"276362"	"276362"	"1H-Pyrrole-3,4-dimethanol, 1-(4-bromophenyl)-2,5-dimethy..."	"CNC(=O)OCc1c(C)n(c(C)c1COC(=O)NC)c2ccc(Br)cc2"	0	""	""	1	1	321870	"64618264"
"276371"	"276371"	"2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-[(3,7,11,1..."	"COC1=C(OC)C(=O)C(=CC1=O)SC\C=C(/C)\CCCC(C)CCCC(C)CCCC(C)C"	0	""	""	2	2	5476942	"68160372"
"276376"	"276376"	"Formamide, N-[4-(3,3-dimethyl-1-triazenyl)phenyl]-"	"CN(C)N=Nc1ccc(NC=O)cc1"	0	""	""	1	1	321881	"2313851"
"276382"	"276382"	"pepleo"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNC(C)c7ccccc7"	0	"Db"	""	4	4	NA	""
"277181"	"277181"	"1H-Inden-1-one, 5-[2-(dimethylamino)ethoxy]-2,3-dihydro-..."	"CN(C)CCOc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Cc2c1"	0	""	""	2	2	54607375	"55079566"
"277184"	"277184"	"1H-Inden-1-one, 6-[2-(dimethylamino)ethoxy]-2,3-dihydro-..."	"CN(C)CCOc1ccc2C\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	1	NA	"55078518"
"277290"	"277290"	"Uzarigenin"	"CC12CCC(O)CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"466091"
"277293"	"277293"	"CINNAMODIAL B812927K060"	"CC(=O)OC1C=C(C=O)C(O)(C=O)C2(C)CCCC(C)(C)C12"	0	""	""	6	2	321973	""
"278214"	"278214"	"carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc(Cl)c(Cl)c2)n3CCCc13"	0	""	""	10	2	100267	"74296427"
"278467"	"278467"	"9,10-Anthracenedione, 1,4-bis[[3-[(2-hydroxyethyl)amino]..."	"OCCNCCCNc1ccc(NCCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	1	72743	"65271796"
"278571"	"278571"	"toxin ht2"	"CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@@]34CO4)C=C1C"	0	NA	NA	3	2	NA	"26934872"
"278619"	"278619"	"prumycin"	"C[C@@H](N)C(=O)NC(CO)C(O)C(N)C=O"	0	NA	NA	2	2	NA	""
"278631"	"278631"	"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-..."	"CCOC(=O)\C=C(\C)/Sc1cc(O)c2ccccc2c1O"	0	""	""	2	1	5358772	"59483953"
"278632"	"278632"	"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-"	"CCOC(=O)\C=C(/C)\Sc1cc(O)c2ccccc2c1O"	0	""	""	1	1	5358773	"59483975"
"279503"	"279503"	"ISOBRUCEIN A"	"COC(=O)C12OCC34C(CC5C(=CC(=O)C(O)C5(C)C3C(O)C1O)C)OC(=O)C(OC(=O)CC(C)C)C24"	0	""	""	17	8	322357	"57629502"
"279836"	"279836"	"MITOXANTRONE"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	"TOP2"	"FDA approved"	2	2	4212	"65271809"
"280074"	"280074"	"Ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]ph..."	"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)c1ccc(\C=N\c2ccc(cc2)c3csc(COc4ccccc4)n3)cc1"	0	""	""	4	4	322463	""
"280414"	"280414"	"Multistatin"	"C\C=C(/C)\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)C(=O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C"	0	""	""	2	2	5319944	""
"280471"	"280471"	""	"NC1=S[Pt]2(Cl)N3CCCCC3C=[N+]2N1"	0	NA	NA	1	1	NA	""
"280594"	"280594"	"TRICIRIBINE PHOSPHATE"	"CN1N=C(N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c4ncnc1c24"	0	"PK:STK,AKT1"	"Clinical trial"	20	18	NA	"61966083"
"280893"	"280893"	"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone"	"Cc1ccc(cc1)S(=O)(=O)CC2(Br)CCc3ccccc3C2=O"	0	""	""	1	1	322770	"72848603"
"281245"	"281245"	"compactin"	"CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12"	0	""	""	2	2	2854	"84173295"
"281272"	"281272"	"ara ac"	"NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O"	0	NA	NA	16	13	NA	"65886717"
"281279"	"281279"	"Platinum, aqua(1,2-cyclohexanediamine-N,N')(tetraoxosele..."	"O[Pt]1(NC2CCCCC2N1)O[Se](=O)(=O)O"	0	""	""	2	2	430708	""
"281300"	"281300"	""	"COc1cc2CCN(C)c3cc4OCOc4cc3CC(C)c2cc1O"	0	NA	NA	2	1	NA	""
"281383"	"281383"	"Q27192528"	"CCOC(=O)Nc1ccc2nc(sc2c1)N3CCCCCC3"	0	""	""	2	2	322919	""
"281612"	"281612"	"benzaldehyde (BEN)"	"Cc1cc(ccc1C=O)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	"A7"	"Clinical trial"	1	1	322931	"56967089"
"281613"	"281613"	"Ethanol, 2,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)ph..."	"Cc1cc(ccc1\C=N\c2ccc(c(Cl)c2)c3csc(n3)c4ccccc4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	3	3	322932	""
"281617"	"281617"	"Ethanol, 2,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethy..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3nc(Cc4ccccc4)sc3C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	5	5	322935	""
"281625"	"281625"	"Phosphonium, [2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]trip..."	"C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)N4Cc5ccccc5C4"	0	NA	NA	1	1	NA	"65273623"
"281668"	"281668"	"prima-1"	"OCC1(CO)N2CCC(CC2)C1=O"	0	""	""	4	2	322968	"5608242"
"281693"	"281693"	""	"[O-][N+](=O)C1(Br)CCC(Br)(CC1)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"281816"	"281816"	"metitepine maleate"	"CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1"	0	NA	NA	2	2	NA	"19728882"
"281817"	"281817"	"Ethanol, 2,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]ph..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)c3csc(n3)c4ccc(Br)cc4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	4	4	323078	""
"281818"	"281818"	"Ethanol, 2,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-t..."	"CCCOc1ccc(cc1)c2nc(cs2)c3ccc(cc3)\N=C\c4ccc(cc4C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	3	3	323079	""
"281929"	"281929"	"Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)"	"CCOC(=O)C#Cc1cccc(c1)C#CC(=O)OCC"	0	""	""	2	2	323109	"60521724"
"282150"	"282150"	"Benzenethiol, 2-amino-5-methyl-"	"Cc1ccc(N)c(S)c1"	0	""	""	1	1	323260	"23451969"
"282159"	"282159"	"kaurane deriv"	"CC(=O)OC1CC2C(O)C3(C(O)CC4C5(C)CCCC4(C(O)OC5)C13)C(=O)C2=C"	0	""	""	1	1	430839	"59859993"
"282173"	"282173"	"Carnosol o-quinone"	"CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C)(C)C3CC2OC4=O"	0	""	""	1	1	323275	""
"282752"	"282752"	"Eunicin"	"CC1CCC\C(=C/CCC(C)(O)C2CC3C(OC(=O)C3=C)C1O2)\C"	0	NA	NA	6	2	NA	"22551457"
"282880"	"282880"	"octadecylphosphocholine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	2	125219	"65956630"
"282885"	"282885"	"Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-..."	"CC(=O)NC(CCc1ccc(Cl)c(Cl)c1)C2=CC=CC(=O)C(=C2)O"	0	""	""	2	1	323364	"71856945"
"283162"	"283162"	"TRIMETHYL TMM"	"CN(CO)c1nc(nc(n1)N(C)CO)N(C)CO"	0	""	""	11	2	92368	"64124216"
"283168"	"283168"	"Acetamide, N,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)..."	"COc1c(CNC(=O)CCl)cc2[nH]c(C)cc2c1CNC(=O)CCl"	0	""	""	1	1	323387	"58867633"
"283440"	"283440"	"eriofertin"	"C\C=C(/C)\C(=O)OC1C\C(=C/C(O)C\C(=C\C2OC(=O)C(=C)C12)\C)\CO"	0	NA	NA	6	5	NA	""
"283445"	"283445"	"Verrucarin A 9,10-epoxide"	"C[C@@H]1CCOC(=O)\C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5OC5(C)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@@]36CO6"	0	NA	NA	4	1	NA	"74560386"
"284356"	"284356"	"mitindomide"	"O=C1NC(=O)C2C3C=CC(C4C3C5C4C(=O)NC5=O)C12"	0	NA	NA	19	2	NA	"10403517"
"284437"	"284437"	"Quadrone"	"CC1(C)CC23C4CC(=O)C2COC(=O)C3CCC14"	0	NA	NA	6	4	NA	"87480011"
"284682"	"284682"	"3'-Hydroxydaunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(O)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	19	10	NA	"64842757"
"284751"	"284751"	"Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate)"	"Nc1ncnc2c1nc(Cl)n2C3OC4COP(=O)(O)OC4C3O"	0	""	""	8	7	323587	"41941564"
"285109"	"285109"	"Lapachol glucoside tetraacetate"	"CC(=CCC1=C(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=O)c3ccccc3C1=O)C"	0	NA	NA	2	1	NA	"57093273"
"285116"	"285116"	"SIOMYCIN A"	"C\C=C\1/NC(=O)C(NC(=O)c2csc(n2)C34CCC(=NC3c5csc(n5)C(NC(=O)c6csc(n6)C(NC(=O)C7CSC1=N7)C(C)(O)C(C)O)C(C)OC(=O)c8cc(C(C)O)c9C=CC(NC(C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C)C(=O)N4)C(O)c9n8)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C(C)O"	0	NA	NA	4	3	NA	"12656096"
"285166"	"285166"	"oxin"	"Oc1cccc2cccnc12"	0	NA	NA	5	4	NA	"148243"
"285223"	"285223"	"Neothramycin"	"COc1cc2C(=O)N3[C@H](O)CC[C@H]3C=Nc2cc1O.COc4cc5C(=O)N6[C@@H](O)CC[C@H]6C=Nc5cc4O"	0	NA	NA	6	6	NA	""
"285233"	"285233"	"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone"	"CCC(=O)NC1=C(Cl)C(=O)C(=C(Cl)C1=O)NC(=O)CC"	0	""	""	2	2	323616	""
"285658"	"285658"	"ENMEIN-3-ACETATE"	"CC(=O)O[C@@H]1C[C@H]2OC(=O)C34CC(CCC3C25CO[C@H](O)[C@H]5C1(C)C)C(=C)C4=O"	0	""	""	1	1	323628	"7122001"
"285689"	"285689"	"Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]a..."	"CCOC(=O)c1ccc(NC(=O)Nc2nncs2)cc1"	0	""	""	2	2	323649	"69123495"
"285705"	"285705"	"Sinulariolide"	"C\C\1=C/CCC2(C)OC2CC3CCC(C)(OC(=O)C3=C)C(O)CC1"	0	""	""	1	1	5458570	"56326251"
"285706"	"285706"	"Sinularin"	"C\C\1=C/CCC(C)(O)C2CC(CCC3(C)OC3CC1)C(=C)C(=O)O2"	0	NA	NA	6	5	NA	"65669729"
"286122"	"286122"	"6-Chloro-3'-methylidenespiro[2,3-dihydrochromene-4,5'-oxolane]-2'-one"	"Clc1ccc2OCCC3(CC(=C)C(=O)O3)c2c1"	0	""	""	2	2	323667	""
"286136"	"286136"	"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(OC2=C(CC=C(Cl)Cl)C(=O)c3ccccc3C2=O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	323672	""
"286161"	"286161"	"Crassin cinnamate"	"C\C\1=C/CCC(C)(O)C2CC(C(C\C(=C\CC1)\C)OC(=O)\C=C\c3ccccc3)C(=C)C(=O)O2"	0	""	""	2	2	5458572	""
"286193"	"286193"	"TIAZOFURIN"	"NC(=O)c1csc(n1)C2OC(CO)C(O)C2O"	0	NA	NA	16	11	NA	"60084108"
"286628"	"286628"	"5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-tride..."	"CC1OC(CC(N)C1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OCc6ccccc6)c5C(=O)c4c(O)c23)C(=O)C"	0	NA	NA	3	3	NA	"67903597"
"287069"	"287069"	"Epicorazine A"	"OC1C=CC(=O)C2CC34SSC5(CC6C(C(O)C=CC6=O)N5C3=O)C(=O)N4C12"	0	""	""	2	2	155232	"62256057"
"287450"	"287450"	"oliverine"	"COC1C2N(C)CCc3cc4OCOc4c(c5ccc(OC)cc15)c23"	0	NA	NA	2	1	NA	"53648990"
"287459"	"287459"	"Cytarabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	"Ds"	"FDA approved"	2	2	NA	"147944"
"287513"	"287513"	"Ametantrone acetate"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	NA	NA	2	2	NA	"70711409"
"289074"	"289074"	"Dienone B"	"NC(=O)CC1(O)C=C(Br)C(=O)C(=C1)Br"	0	""	""	2	2	100324	"17194819"
"289098"	"289098"	"BRD-K58304294-001-01-5"	"C\C(=N/NC(=S)N1CCCCC1)\c2ccccn2"	0	""	""	2	2	5484390	"71555287"
"289117"	"289117"	"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile"	"CCOc1c(C#N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	324275	""
"289487"	"289487"	"Asterriquinone"	"CC(C)(C=C)n1cc(C2=C(O)C(=O)C(=C(O)C2=O)c3cn(c4ccccc34)C(C)(C)C=C)c5ccccc15"	0	""	""	2	1	100329	"60696528"
"289491"	"289491"	"CHETOMIN"	"CN1C(=O)C2(Cc3cn(c4ccccc34)C56CC78SSC(CO)(N(C)C7=O)C(=O)N8C5Nc9ccccc69)SSC1(CO)C(=O)N2C"	0	NA	NA	1	1	NA	"1403367"
"289517"	"289517"	"L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo- 6-qu..."	"Nc1nc(O)c2cc(NCc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	1	1	NA	"56239215"
"289637"	"289637"	"Bredinin"	"NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O"	0	NA	NA	1	1	NA	"50924497"
"289645"	"289645"	"FCRC57-G"	"COC1=CC(=O)c2c(O)c3C(O)C4(Oc5c(O)c6C(=O)OC(=Cc6cc5CC4O)C)Oc3c(O)c2C1=O"	0	""	""	1	1	5358914	""
"289900"	"289900"	"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid"	"OC1C(COP(=O)(O)O)OC(C1O)n2cnc3c(NCc4occc4)ncnc23"	0	""	""	2	2	324451	"13484678"
"289901"	"289901"	"5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C(O)C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	1	324452	"17242885"
"289922"	"289922"	"phosphonium, triphenylpropenyl-, bromide, (e)- (8ci)"	"C\C=C\[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	2	2	10714966	"28691761"
"290069"	"290069"	"2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid"	"OCl(=O)(=O)=O.C1C[N+]2(CC2)[Mn+3]345([O-]c6ccccc6C=[N+]3CC[N+]47CC7)[O-]c8ccccc8C=[N+]15"	0	""	""	1	1	54607439	""
"290136"	"290136"	"IVALBATIN ACETATE"	"CC1C(CC2C(OC(=O)C2=C)C=C1CCC(=O)C)OC(=O)C"	0	NA	NA	1	1	NA	"37163910"
"290193"	"290193"	"ciclosporin"	"CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C"	0	""	"FDA approved"	2	1	NA	"59865133"
"290433"	"290433"	"Coumarin 30"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4n3C"	0	""	""	2	2	100335	"41044126"
"290437"	"290437"	"dbtc"	"CCN1\C(=C\C(=C\c2sc3ccc4ccccc4c3[n+]2CC)\C)\Sc5ccc6ccccc6c15"	0	NA	NA	2	2	NA	"7423316"
"290494"	"290494"	"CHAPARRINONE, 6A-SENECIOYLOXY"	"CC1C(O)C2(O)OCC34C1CC(=O)OC3C(OC(=O)C=C(C)C)C5C(=CC(=O)C(O)C5(C)C24)C"	0	NA	NA	12	10	NA	"68499525"
"290497"	"290497"	"9-hydroxyparthenolide"	"C\C\1=C\CCC2(C)OC2C3OC(=O)C(=C)C3CC1O"	0	NA	NA	1	1	NA	"78146517"
"290511"	"290511"	"N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide"	"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3c2ncn3C)C(O)C1O"	0	""	""	2	2	324540	""
"290555"	"290555"	"Benzoic acid, 3,3'-methylenebis(6-hydroxy-, compd. with ..."	"NCC1CC2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl.OC(=O)c3cc(Cc4ccc(O)c(c4)C(=O)O)ccc3O"	0	""	""	1	1	431216	""
"290806"	"290806"	".beta.-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-,..."	"C[As](C)SC1OC(CO)C(O)C(O)C1NC(=O)C"	0	""	""	2	2	324686	"76235284"
"290813"	"290813"	"9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]..."	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	45261553	""
"290977"	"290977"	"Benzyl N-(2,4,5-trichlorophenyl)carbamodithioate"	"Clc1cc(Cl)c(NC(=S)SCc2ccccc2)cc1Cl"	0	""	""	1	1	4985501	""
"291049"	"291049"	"2-[(Z)-2-(Benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran"	"[O-][N+](=O)c1oc(\C=C(\c2oc(cc2)[N+](=O)[O-])/S(=O)(=O)c3ccccc3)cc1"	0	""	""	1	1	6072945	"53288634"
"291056"	"291056"	"Methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate"	"COC(=O)c1oc(\C=C(/c2oc(cc2)[N+](=O)[O-])\S(=O)(=O)c3ccc(NC(=O)C)cc3)cc1"	0	""	""	1	1	5358937	"53828845"
"291094"	"291094"	"Streptonigrin analog (EtNH)"	"CCNC1=CC(=O)c2ncccc2C1=O"	0	NA	NA	1	1	NA	""
"291308"	"291308"	"Terrein"	"C\C=C\C1=CC(=O)C(O)C1O"	0	NA	NA	6	2	NA	"582467"
"291312"	"291312"	"8-hydroxy verrucarin a"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C=C(C)C(O)CC4(COC(=O)C1O)C2(C)C35CO5"	0	NA	NA	2	2	NA	""
"291317"	"291317"	"4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-"	"O=CC1=COc2ccccc2C1=O"	0	""	""	1	1	87112	"17422741"
"291329"	"291329"	"aplasmomycin"	"CC1OC2CC1OC(=O)C3[O+]4B56OC78OC(CCC7C)C(C)(C)C(C\C=C/2)O[Ag]49(O)OC(C\C=C/C%10CC(OC(=O)C8[O+]59)C(C)O%10)C(C)(C)C%11CCC(C)C3(O%11)O6"	0	NA	NA	2	2	NA	""
"291330"	"291330"	"Happtsc"	"C\C(=N/NC(=S)Nc1ccccc1)\c2ccccn2"	0	""	""	2	2	5369910	"63698066"
"291534"	"291534"	""	"C[n+]1[se]c2ccccc2c1Cl"	0	NA	NA	2	1	NA	"60940252"
"291643"	"291643"	"Pyrimidineacetaldehyde derivative"	"OC[C@@H](O[C@H](C=O)C1=CNC(=O)NC1=O)C=O"	0	NA	NA	8	3	NA	"86762358"
"291925"	"291925"	"ARONIS016812"	"Clc1ccc(NC(=O)Nc2nccs2)cc1"	0	""	""	1	1	324932	"69123553"
"291926"	"291926"	"6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione"	"Oc1ccc(O)c2C(=O)c3cnccc3C(=O)c12"	0	""	""	1	1	431317	"4589371"
"291927"	"291927"	"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate"	"CCOC(=O)c1ccc(NC(=O)NC2=NCCS2)cc1"	0	""	""	2	2	324933	"69123484"
"292147"	"292147"	"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one"	"OC1N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	2	2	324952	"62584081"
"292206"	"292206"	"RUSTAIYAN A"	"CC(=C)C(=O)OC1CC2=CC(CC3(C)OC3C4OC(=O)C(=C)C14)OC2=O"	0	NA	NA	3	2	NA	""
"292222"	"292222"	"maytansine deriv"	"COC1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4"	0	NA	NA	1	1	NA	"66584723"
"292256"	"292256"	"Methyl 4-hydroxy-2-methoxybenzenecarbodithioate"	"COc1cc(O)ccc1C(=S)SC"	0	""	""	1	1	324995	"62070808"
"292463"	"292463"	"Monoacetyl verrucarin A epoxide"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1OC(=O)C)C2(C)C36CO6"	0	NA	NA	4	3	NA	"2841829"
"292567"	"292567"	"nigericin"	"COC1CC(CC2CCC(C)C(O2)C(C)C(=O)O)OC3(OC(C)(CC3C)C4CCC(C)(O4)C5OC(CC5C)C6OC(O)(CO)C(C)CC6C)C1C"	0	NA	NA	6	4	NA	"28643803"
"292596"	"292596"	"Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate"	"[Cl-][Pt+2](O)(O)[SH-]CCN1CCC(C)CC1"	0	""	""	1	1	431390	""
"292663"	"292663"	"eurecurvin"	"CCC(C)C(=O)OC1\C=C(/C)\C(O)CC(OC(=O)C)\C(=C\C2OC(=O)C(=C)C12)\CO"	0	NA	NA	2	2	NA	"66922256"
"292684"	"292684"	"Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-n..."	"ClCCSCCN(N=O)C(=O)NC1CCCCC1"	0	""	""	3	3	325087	"66929508"
"292685"	"292685"	"5,12-Naphthacenedione, 10-[[3-(decylamino)-2,3,6-trideox..."	"CCCCCCCCCCNC1CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(O)CO)OC(C)C1O"	0	NA	NA	4	2	NA	""
"292816"	"292816"	"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(d..."	"CCn1c2ccc(cc2c3cc(ccc13)C(=O)CCCN(C)C)C(=O)CCCN(C)C"	0	NA	NA	2	2	NA	"56109672"
"292817"	"292817"	"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1..."	"CCn1c2ccc(cc2c3cc(ccc13)C(=O)CCCN4CCCCC4)C(=O)CCCN5CCCCC5"	0	NA	NA	2	2	NA	"53428196"
"292928"	"292928"	"benzyl-4-(benzyloxy)-5,6-dimethylpicolinate"	"Cc1nc(cc(OCc2ccccc2)c1C)C(=O)OCc3ccccc3"	0	""	""	2	1	325113	""
"293015"	"293015"	"4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dieth..."	"CCN(CC)CCOC(=O)Cc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	NA	NA	8	2	NA	"87626571"
"293046"	"293046"	"Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-..."	"NC(=N)SCc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	2	1	431425	""
"293061"	"293061"	"Compound 77-6"	"Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(cc2Cl)N=C=S"	0	""	""	1	1	175110	"72670623"
"293074"	"293074"	"BTSHWGAQAYYNFK-RELWKKBWSA-N"	"C\C(=N/NC(=S)N1CCCCCCCCCCCC1)\c2ccccn2"	0	""	""	2	2	9554758	"71555447"
"293100"	"293100"	"HONOKIOL"	"Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O"	0	""	""	2	1	72303	"35354746"
"293161"	"293161"	"2-[7-[3-(Carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid"	"CC1OC(CC(=O)O)Cc2c(O)c3C(=O)C(=CC(=O)c3c(O)c12)C4=CC(=O)c5c(O)c6C(C)OC(CC(=O)O)Cc6c(O)c5C4=O"	0	""	""	3	2	325174	"15828929"
"293856"	"293856"	"B704949F149"	""	0	NA	NA	1	1	NA	""
"293895"	"293895"	"D 2928"	"CN1C(=O)N(C)c2nc(N3CCOCC3)n(CCCNCC(O)c4ccc(O)c(O)c4)c2C1=O"	0	""	""	1	1	431464	""
"294126"	"294126"	"Carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-"	"Oc1cccc(\C=N\NC(=O)N\N=C\c2cccc(O)c2O)c1O"	0	""	""	1	1	135429886	""
"294149"	"294149"	"S-(3-(Hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine"	"NC(CSc1nc2ccccn2c1[N+](=O)[O-])C(=O)O"	0	""	""	1	1	325414	"62194881"
"294244"	"294244"	"1,3-Benzenedimethanamine, 2-(bromodiphenylstannyl)-N,N,N..."	"CN(C)Cc1cccc(CN(C)C)c1[Sn](Br)(c2ccccc2)c3ccccc3"	0	""	""	1	1	325476	""
"294526"	"294526"	""	"CCNC1=S[Pd]2(Cl)N3CCCCC3C(=[N+]2N1)c4ccccc4"	0	NA	NA	2	2	NA	""
"294530"	"294530"	"2-[(4E)-1,5-Dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid"	"CC(C(=O)O)C12CCC3(C)C1C\C(=N/Nc4ccc(cc4)[N+](=O)[O-])\C(C)C3C2=O"	0	""	""	1	1	6377377	""
"294577"	"294577"	"HORMINON"	"CC(C)C1=C(O)C(=O)C2=C(C(O)CC3C(C)(C)CCCC23C)C1=O"	0	NA	NA	1	1	NA	"21887014"
"294580"	"294580"	"Costatone"	"C\C(=C\Cl)\[C@@H]1CC(=C(C)[C@@](O)(O1)C(Br)Br)Cl"	0	""	""	1	1	5359027	"63023596"
"294600"	"294600"	"Melampodinin"	"COC(=O)\C\1=C\C2OC2\C(=C\C3OC(=O)C(=C)C3C(OC(=O)C(C)(O)C(C)OC(=O)C)C1OC(=O)C)\C"	0	NA	NA	2	2	NA	"60295536"
"294601"	"294601"	"ENHYDRIN A"	"COC(=O)\C\1=C\CC[C@@]2(C)OC2C3OC(=O)C(=C)C3[C@@H](OC(=O)C4(C)OC4C)C1OC(=O)C"	0	NA	NA	4	4	NA	""
"294608"	"294608"	"G9SUZ33DVO"	"CCCCCCCCCCCCN(O)C(=O)c1ccccc1"	0	""	""	1	1	325612	"56918980"
"294712"	"294712"	"Lobolide"	"CC(=O)OCC12CC\C=C(/C)\CC\C=C(/C)\CC3OC(=O)C(=C)C3CC1O2"	0	""	""	1	1	5359032	"64180718"
"294734"	"294734"	"Terreic acid"	"CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O"	0	""	""	6	6	91437	""
"294814"	"294814"	"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyri..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccccn3"	0	""	""	2	2	5361900	"71555470"
"294846"	"294846"	"Cinnoline, 4-nitro-, 1-oxide"	"[O-][N+](=O)c1cn[n+]([O-])c2ccccc12"	0	""	""	1	1	100397	"13657993"
"294858"	"294858"	""	"CN1P(F)(F)[Fe]23(C#O)(C#O)C(=O)[Fe]2(C#O)(C#O)(P(F)(F)N(C)P3(F)F)P1(F)F"	0	NA	NA	2	2	NA	""
"294921"	"294921"	"LUPENE TRIOL"	"CC(=C)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12"	0	NA	NA	1	1	NA	"61229183"
"294961"	"294961"	"3-phenacyliden-5-brom-2-indolinon"	"Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)\c2c1"	0	NA	NA	2	1	NA	"70452301"
"294979"	"294979"	"bleomycin bapp"	"CCCCNCCCNCCCNC(=O)c1csc(n1)c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(nc(N)c3C)C(CC(=O)N)NCC(N)C(=O)N)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(=O)N)C5O)c6c[nH]cn6)C(C)O)n2"	0	NA	NA	3	3	NA	""
"294980"	"294980"	"p-N,N-Di(2-chloroethyl)toluidine"	"Cc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	100400	"1204688"
"295084"	"295084"	"5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-2-..."	"COc1ccc2C(=O)C(Br)CCCc2c1"	0	""	""	2	2	325766	"72472436"
"295085"	"295085"	"5H-Benzocyclohepten-5-one, 6,6-dibromo-6,7,8,9-tetrahydr..."	"COc1cc2CCCC(Br)(Br)C(=O)c2cc1[N+](=O)[O-]"	0	""	""	2	2	325767	"71089264"
"295272"	"295272"	"2-(Hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol"	"OCC1OC(C(O)C1O)n2cnc3c(\C=C(\O)/c4ccccc4)ncnc23"	0	""	""	2	2	135476744	"73719912"
"295391"	"295391"	""	"NC(=O)c1cn(C2CC(O)C(CO)O2)c3ncnc(N)c13"	0	NA	NA	2	2	NA	"83379286"
"295425"	"295425"	"GROSHEIMIN"	"CC1C2C3OC(=O)C(=C)C3C(O)CC(=C)C2CC1=O"	0	NA	NA	1	1	NA	"22489663"
"295426"	"295426"	"Alatolid"	"CC(C)C(=O)OC1C\C(=C\CC\C(=C\C2OC(=O)C(=C)C12)\CO)\CO"	0	NA	NA	2	2	NA	"41929106"
"295427"	"295427"	"EUPATORIOPICRINE"	"C\C\1=C/C2OC(=O)C(=C)C2C(C\C(=C/CC1)\C)OC(=O)\C(=C\CO)\CO"	0	NA	NA	1	1	NA	""
"295466"	"295466"	"ALBB-031223"	"[O-][N+](=O)\C=C\c1cccc(F)c1"	0	""	""	1	1	5702506	"705840"
"295473"	"295473"	"alpha-methoxyhydantoic acid"	"COC(NC(=O)N)C(=O)O"	0	""	""	1	1	325890	"64732178"
"295499"	"295499"	"Camptothecin Derivative"	"COc1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)C(O)(CC(=O)N6CCOCC6)C(=O)OC4"	0	"TOP1"	""	7	7	325910	""
"295500"	"295500"	"Camptothecin Derivative"	"COC(=O)CC1(O)C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	325911	""
"295501"	"295501"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	325912	""
"295505"	"295505"	"C 829"	"CC(CN(C)C)Nc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	1	21120490	"65094737"
"295563"	"295563"	"2-Butenoic acid, 2,3-dibromo-4-[[(4-methylphenyl)sulfony..."	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C(=C(\Br)/C(=O)O)\Br"	0	""	""	2	1	54607416	""
"295565"	"295565"	"Kidamycin"	"C\C=C(/C)\C1=CC(=O)c2c(C)cc3C(=O)c4c(cc(C5CC(C)(C(O)C(C)O5)N(C)C)c(O)c4C(=O)c3c2O1)C6CC(C(O)C(C)O6)N(C)C"	0	NA	NA	2	2	NA	"11072825"
"295566"	"295566"	"neopluramycin"	"C\C=C(/C)\C1=CC(=O)c2c(C)cc3C(=O)c4c(cc(C5CC(C)(C(OC(=O)C)C(C)O5)N(C)C)c(O)c4C(=O)c3c2O1)C6CC(C(O)C(C)O6)N(C)C"	0	""	""	2	2	5359061	""
"295633"	"295633"	""	"CCN(CC)CCCC(CCl)Nc1ccnc2cc(Cl)ccc12"	0	NA	NA	1	1	NA	"77529976"
"295641"	"295641"	"Hydrazinecarbodithioic acid, [1-(2-pyridinyl)ethylidene]..."	"C\C(=N/NC(=S)SCc1ccccc1)\c2ccccn2"	0	""	""	2	2	5955229	"26158474"
"295642"	"295642"	""	"CC1=[N+]2[N-]C(=S[Cu+]2([ClH-])[n+]3ccccc13)SCc4ccccc4"	0	NA	NA	2	2	NA	""
"295661"	"295661"	"Pyrodelphinine"	"COCC12CCC(OC)C34C5CC6(O)C(OC)C=C(C(C(OC)C13)C4N(C)C2)C5C6OC(=O)c7ccccc7"	0	""	""	1	1	431677	"60050126"
"296300"	"296300"	"Hydrazinecarbothioamide, N-[4-(diethylamino)-1-methylbut..."	"CCN(CC)CCCC(C)NC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	1	1	54598640	"70618701"
"296301"	"296301"	""	"C\C(=N/NC(=S)NC1CCCCC1)\c2ccccn2"	0	NA	NA	2	2	NA	"70618530"
"296934"	"296934"	"Teroxirone"	"O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4"	0	"A7"	""	9	8	17142	"2451629"
"296964"	"296964"	"triglycidylisocyanurate"	"O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4"	0	NA	NA	1	1	NA	"2451629"
"297093"	"297093"	"1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thieny..."	"CC1(C)OC(=O)C(=Cc2ccc(s2)[N+](=O)[O-])C(=O)O1"	0	""	""	1	1	326210	"62390992"
"297353"	"297353"	"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline"	"Clc1ccccc1CN2COc3c(C2)cc(Cl)c4cccnc34"	0	""	""	1	1	326313	"50595078"
"297360"	"297360"	"Bionet2_000691"	"Clc1ccc(CN2COc3c(C2)cc(Cl)c4cccnc34)cc1"	0	""	""	2	2	326320	"41957840"
"297361"	"297361"	"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	"Clc1ccccc1CN2COc3c(C2)ccc4cccnc34"	0	""	""	1	1	326321	""
"297366"	"297366"	"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine"	"Fc1ccccc1CN2COc3c(C2)cc(Cl)c4cccnc34"	0	""	""	1	1	326326	""
"298197"	"298197"	"VZ27697"	"Oc1ccc(N=Nc2nccs2)c(O)c1"	0	""	""	1	1	75253	"2246460"
"298223"	"298223"	"cc-1065"	"COc1c(O)c2N(CCc2c3cc([nH]c13)C(=O)N4CCc5c4c(O)c(OC)c6[nH]c(cc56)C(=O)N7CC8CC89C7=CC(=O)c%10[nH]cc(C)c9%10)C(=O)N"	0	NA	NA	5	4	NA	"69866213"
"298276"	"298276"	"Ethanediamide, N,N'-bis[[1-(1,1-dimethylethyl)-2-aziridi..."	"CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C"	0	""	""	5	3	326600	""
"298509"	"298509"	"3-(2,3-dihydrobenzo[d]oxazol-2-yl)benzo thioamide"	"NC(=S)c1cccc(c1)C2Nc3ccccc3O2"	0	""	""	1	1	3374653	""
"298823"	"298823"	"Hydrazinecarboximidamide, 2-[1-(9H-fluoren-2-yl)ethylide..."	"CNC(=N)N\N=C(/C)\c1ccc2c(Cc3ccccc23)c1"	0	""	""	1	1	54607521	"77476063"
"299117"	"299117"	"Sendanin"	"CC(=O)OC1CC(O)C23COC(O[Ac])C1(C)C2CC(O)C4(C)C3C(=O)C(O[Ac])C5(C)C(CC6OC456)c7cocc7"	0	""	""	2	2	5464491	"62078288"
"299130"	"299130"	"Ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam..."	"NC1=S[Fe+2]2([O-]S(=O)(=O)O)[N+](=Cc3cccc[n+]23)[N-]1"	0	""	""	1	1	3337459	""
"299209"	"299209"	"4-((3-Quinolinylmethyl)amino)benzenesulfonamide"	"NS(=O)(=O)c1ccc(NCc2cnc3ccccc3c2)cc1"	0	""	""	1	1	182334	"62294820"
"299514"	"299514"	"9J2BCV8VXC"	"CCOC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3"	0	""	""	2	2	326899	"27146163"
"299545"	"299545"	"eurecurvin"	"CCC(C)C(=O)OC1\C=C(/C)\C(O)CC(OC(=O)C)\C(=C\C2OC(=O)C(=C)C12)\CO"	0	NA	NA	1	1	NA	"66922256"
"299587"	"299587"	"Formoterol Fumarate"	"COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1"	0	NA	NA	1	1	NA	"43229807"
"299863"	"299863"	"Benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.,.alpha.-b..."	"COc1cc(cc(OC)c1C(O)(c2c(OC)cc(cc2OC)C(C)(C)C)c3c(OC)cc(cc3OC)C(C)(C)C)C(C)(C)C"	0	""	""	2	1	326946	""
"299878"	"299878"	"4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one"	"COc1ccc2C(=CC(=O)Oc2c1)CSCCBr"	0	""	""	1	1	326958	""
"299879"	"299879"	"NCIMech_000462"	"COc1cc2OC(=O)C=C(C)c2cc1[N+](=O)[O-]"	0	""	""	2	1	326959	""
"299922"	"299922"	"Isovelleral"	"CC1(C)CC2C=C(C=O)C3(CC3(C)C2C1)C=O"	0	NA	NA	2	2	NA	"37841911"
"299933"	"299933"	"thapsigargin"	"CCCCCCCC(=O)OC1C(OC(=C)\C(=C\C)\C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C"	0	NA	NA	7	3	NA	"67526958"
"299934"	"299934"	"THAPSIA VILLOSA COMPD"	"CCCCC(=O)OC1C(OC(=O)\C(=C\C)\C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCCC)C"	0	NA	NA	2	2	NA	""
"299936"	"299936"	"Totarol"	"CC(C)c1c(O)ccc2c1CCC3C(C)(C)CCCC23C"	0	""	""	1	1	326995	"511159"
"300288"	"300288"	"1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(dimethylami..."	"CN(C)CCN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-]"	0	""	""	3	2	327044	"54824178"
"300289"	"300289"	"Pinafide"	"[O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	2	2	327045	"54824203"
"301189"	"301189"	"Piperidinium, 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene..."	"[O-][N+](=O)c1ccc(cc1)C2=CSC(=[N+]3CCCCC3)S2"	0	NA	NA	2	2	NA	"24372712"
"301457"	"301457"	"Cycloalkannin"	"CC1(C)CC[C@@H](O1)c2cc(O)c3C(=O)C=CC(=O)c3c2O"	0	NA	NA	4	4	NA	"64981700"
"301460"	"301460"	"Trichopolyn"	"CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N2C(CC(=O)CC)CC(C)CC2C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO"	0	NA	NA	2	2	NA	""
"301477"	"301477"	"antineoplastic-301477"	"COC1C(N)CC(O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC1C"	0	NA	NA	3	3	NA	"77121905"
"301480"	"301480"	"1H-Pyrrole-3,4-dimethanol, 2-[1,1'-biphenyl]-4-yl-1,5-di..."	"CNC(=O)OCc1c(C)n(C)c(c1COC(=O)NC)c2ccc(cc2)c3ccccc3"	0	""	""	2	2	327239	"70889199"
"301739"	"301739"	"Mitoxantrone"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	"TOP2"	"FDA approved"	13	11	NA	"70476823"
"302035"	"302035"	"Melampodin B acetate"	"CC(=O)OC\C\1=C/C2OC(=O)C(=C)C2C3OC(=O)C(=C3)C(CC1)OC(=O)C"	0	""	""	3	3	5359212	"51212987"
"302042"	"302042"	"Propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-"	"CC(C)(Oc1ccc(cc1)c2cccc3ccccc23)C(=O)O"	0	""	""	1	1	327338	""
"302286"	"302286"	"BOHLMANN K2604"	"CC1CC(O)CC2C(OC(=O)C=C(C)C)C(O)C(CC12C)C(=C)C"	0	""	""	1	1	327375	""
"302288"	"302288"	"BOHLMANN K2630"	"COc1cc(ccc1OC(=O)C(C)C)C(COC(=O)C(C)(C)OC(=O)C)C=C"	0	""	""	2	2	327377	""
"302289"	"302289"	"BOHLMANN K2631"	"CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12"	0	NA	NA	1	1	NA	"80367948"
"302325"	"302325"	"2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)[N+](=O)[O-]"	0	""	""	4	4	327404	"21813354"
"302358"	"302358"	"Piperidinium, 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylide..."	"COc1ccc(cc1)C2=CSC(=[N+]3CCCCC3)S2.OS(=O)(=O)O"	0	NA	NA	1	1	NA	"24372734"
"302584"	"302584"	"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-"	"[O-][N+](=O)c1ccc(Sc2ncccn2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	163121	"66474531"
"302600"	"302600"	"diethyldichlorotin"	"CC[Sn](Cl)(Cl)CC"	0	""	""	2	2	91491	"866557"
"302867"	"302867"	"3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyp..."	"CCOC(=O)C1=C(N)NC(=N)/C/1=N\c2ccc(OC)cc2"	0	""	""	1	1	135452461	"79823715"
"302979"	"302979"	"shikoccin"	"CC(=O)OC1CCC2(C)C(CC(O)C3=CC(CCC2=O)C(=C)C3=O)C1(C)C"	0	""	""	2	2	327536	"73211117"
"302991"	"302991"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	2538	"31456254"
"303289"	"303289"	"Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl e..."	"N=C1CCCC1C(=S)SCCC#N"	0	""	""	1	1	327580	"63018111"
"303530"	"303530"	"1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane"	"Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1"	0	""	""	1	1	327606	"64762534"
"303534"	"303534"	"oxazolidine, 3-[(cyclohexyloxy)methyl]-4,4-dimethyl-"	"CC1(C)COCN1COC2CCCCC2"	0	""	""	1	1	327610	""
"303607"	"303607"	"(E)-4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid"	"C\C(=C/c1ccc(Cl)cc1)\C(C)(C)C(=O)O"	0	""	""	1	1	5384034	"55078303"
"303751"	"303751"	"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one"	"O=C1Nc2ccccc2SC1C3SC(=S)N(Cc4ccccc4)C3=O"	0	""	""	2	2	327685	"54255311"
"303769"	"303769"	"2-Isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one"	"CC1=NN(C(=O)c2ccncc2)C(=O)C1N=Nc3ccc4ccccc4c3"	0	""	""	2	2	327703	"78503852"
"303812"	"303812"	"Aphidicoline glycinate"	"C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]3C[C@@H]4C[C@]23CC[C@@]4(O)COC(=O)CN"	0	"Ds"	""	15	12	NA	"92803822"
"303861"	"303861"	"L-Cysteine analog"	"CCOC(=O)C(N)CSC(=O)NC"	0	NA	NA	8	3	NA	"51785990"
"303870"	"303870"	"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione"	"S=C1SCN(Cc2ccccc2)CN1Cc3occc3"	0	""	""	1	1	327741	"26105646"
"303872"	"303872"	"toness"	"CCC(c1ccccc1)c2noc(CCN(CC)CC)n2"	0	""	""	2	2	8589	"132354"
"304393"	"304393"	"Hydrazinecarboximidamide, 2,2'-(9H-fluorene-2,7-diyldiet..."	"CNC(=N)N\N=C(/C)\c1ccc2c(Cc3cc(ccc23)\C(=N\NC(=N)NC)\C)c1"	0	""	""	2	2	54610854	"77476223"
"304421"	"304421"	"Leurosine N-oxide"	"CCC12C[N+]3([O-])CCc4c([nH]c5ccccc45)C(CC(C3)C1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)C8C(O)(C(OC(=O)C)C9(CC)C=CCN%10CCC78C9%10)C(=O)OC"	0	NA	NA	1	1	NA	""
"304425"	"304425"	"tallysomycin s2b"	"CC(O)C(\N=C(\O)/CC(O)C(C)\N=C(\O)/C(\N=C(/O)\c1nc(nc(N)c1C)C(CC(=N)O)NCC(N)C(=N)O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=N)O)C3O)c4c[nH]cn4)\C(=N\C(OC5OC(C)C(N)C(O)C5O)C(O)c6nc(cs6)c7nc(cs7)\C(=N\CCCS(C)C)\O)\O"	0	NA	NA	2	2	NA	""
"304426"	"304426"	"tallysomycin s10b"	"CC(O)C(NC(=O)CC(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NC(OC5OC(C)C(N)C(O)C5O)C(O)c6nc(cs6)c7nc(cs7)C(=O)NCCCCN"	0	NA	NA	2	2	NA	""
"304610"	"304610"	"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda(5)-oxazaphosphole"	"COc1ccc(cc1)C2=NOP(C2)(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	2	2	9571209	"71426749"
"304636"	"304636"	"ISUPSL100300"	"COc1cc2cnc(cc2cc1OC)c3ccccc3"	0	""	""	1	1	327861	"24285107"
"304940"	"304940"	"LINICHLORINA A"	"CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]3OC(=O)C(=C)[C@H]13"	0	""	""	1	1	182337	"62462980"
"305222"	"305222"	"Cytochalasin H"	"CC1C\C=C\C2C(O)C(=C)C(C)C3C(Cc4ccccc4)NC(=O)C23C(OC(=O)C)\C=C\C(C)(O)C1"	0	NA	NA	12	10	NA	"53760193"
"305329"	"305329"	"3-(1H-Benzimidazol-2-ylamino)isoindol-1-one"	"O=C1N\C(=N/c2nc3ccccc3[nH]2)\c4ccccc14"	0	""	""	1	1	135452472	"59548377"
"305352"	"305352"	"zimelidine hydrochloride"	"CN(C)C\C=C(\c1ccc(Br)cc1)/c2cccnc2"	0	NA	NA	1	1	NA	"60525157"
"305458"	"305458"	"2-Propenamide, N-[2-(decylthio)-1-(hydroxymethyl)ethyl]-..."	"CCCCCCCCCCSCC(CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O"	0	NA	NA	6	5	NA	""
"305489"	"305489"	"Pseudolycorine hydrochloride"	"COc1cc2CN3CCC4=CC(O)C(O)C(C34)c2cc1O"	0	NA	NA	1	1	NA	"82372676"
"305530"	"305530"	"1-[[5-(p-fluorophenyl)-2-furanyl]methyleneamino]hydantoin"	"Fc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)cc2"	0	""	""	1	1	9568687	"16118186"
"305761"	"305761"	"1-(3,4-dichlorophenyl)-3-(4-(1-ethylpiperidin-3-ylamino)..."	"CCN1CCCC(C1)Nc2cc(C)nc(NC(=N)Nc3ccc(Cl)c(Cl)c3)n2"	0	""	""	1	1	54610863	""
"305762"	"305762"	"2-[(Z)-[(E)-1,3-Bis(4-chlorophenyl)but-2-enylidene]amino]guanidine;hydrochloride"	"C\C(=C\C(=N\NC(=N)N)\c1ccc(Cl)cc1)\c2ccc(Cl)cc2"	0	""	""	2	1	54602148	"29456777"
"305767"	"305767"	"2,4-Quinazolinediamine, 6-[(4-chlorophenyl)thio]-"	"Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1"	0	""	""	1	1	328131	"51124299"
"305768"	"305768"	"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine"	"Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)ccc2n1"	0	""	""	2	2	328132	"52128162"
"305780"	"305780"	"Ethanol, compd. with 6-(2-naphthalenylthio)-2,4-quinazol..."	"Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1"	0	""	""	3	3	16682542	""
"305782"	"305782"	"2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]th..."	"Nc1nc(N)c2cc(Sc3cccc(c3)C(F)(F)F)ccc2n1"	0	""	""	2	2	100475	"51123990"
"305783"	"305783"	"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-"	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3ccccc3"	0	""	""	1	1	328137	"51123241"
"305784"	"305784"	"2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]su..."	"Nc1nc(N)c2cc(ccc2n1)S(=O)(=O)c3cccc(c3)C(F)(F)F"	0	""	""	1	1	328138	"51123898"
"305787"	"305787"	"(6,8-dichloro-2-adamantylquinolin-4-yl)-(piperidin-2-yl)..."	"OC(C1CCCCN1)c2cc(nc3c(Cl)cc(Cl)cc23)C45CC6CC(CC(C6)C4)C5"	0	""	""	3	1	470998	""
"305799"	"305799"	"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-"	"CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1"	0	""	""	2	2	328145	"51124028"
"305802"	"305802"	"2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-6-(2-naphthal..."	"Nc1nc(N)c2CC(CCc2n1)S(=O)(=O)c3ccc4ccccc4c3"	0	""	""	2	2	173733	"60368049"
"305805"	"305805"	""	"COc1cc(NC(C)CCCN)c2nccc(C)c2c1"	0	NA	NA	1	1	NA	"57514304"
"305819"	"305819"	"1-(2,8 -is(trifluoromethyl)quinolin-4-yl)-3-(tert-butyla..."	"CC(C)(C)NCCC(O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F"	0	""	""	3	2	328154	""
"305884"	"305884"	"acodazole"	"CN(C(=O)C)c1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1"	0	NA	NA	15	11	NA	"55435659"
"305978"	"305978"	"Herbimycin"	"COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)C2=O"	0	NA	NA	2	2	NA	""
"306107"	"306107"	"2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydrox..."	"Nc1ccc(cc1)C(OC(=O)c2cc3ccccc3c(Cc4c(O)c(cc5ccccc45)C(=O)OC(c6ccc(N)cc6)(c7ccc(N)cc7)c8ccc(N)cc8)c2O)(c9ccc(N)cc9)c%10ccc(N)cc%10"	0	""	""	1	1	16129848	""
"306203"	"306203"	"2-Butenamide, 4-(2,6-dichlorophenyl)-4-oxo-"	"NC(=O)\C=C\C(=O)c1c(Cl)cccc1Cl"	0	""	""	2	2	5951628	""
"306365"	"306365"	"Quino[8,7-h]quinoline-1,7-diamine, N,N'-bis[3-(dimethyla..."	"CN(C)CCCNc1cc(C)nc2c1ccc3c2ccc4c(NCCCN(C)C)cc(C)nc34"	0	""	""	2	2	24198873	""
"306388"	"306388"	"Gold, chloro(triphenylphosphine)-"	"[Cl-][Au+]P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	"14243642"
"306393"	"306393"	"[4-[[3-[(4-Azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver"	"Cc1noc(c1C)[Ag]NS(=O)(=O)c2ccc(cc2)N=Nc3cc(N=Nc4ccc(cc4)S(=O)(=O)N[Ag]c5onc(C)c5C)c6c(NC(=O)C(Cl)Cl)cccc6c3OC(=O)C(Cl)Cl"	0	""	""	1	1	328256	""
"306455"	"306455"	"2,2'-(4,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))b..."	"OS(=O)(=O)c1ccc2cc3nn(nc3cc2c1)c4ccc(\C=C\c5ccc(cc5S(=O)(=O)O)n6nc7cc8ccc(cc8cc7n6)S(=O)(=O)O)c(c4)S(=O)(=O)O"	0	NA	NA	1	1	NA	""
"306711"	"306711"	"Cuprate(3-), [.mu.-[4-amino-6-[[4'-[[4,5-dihydro-3-methy..."	"[Na+].Cc1nn(c2[O-][Cu+2][O-]c3cc(ccc3[N+](=Nc12)C)c4ccc5N=[N+]6[Cu+2]([O-]c5c4)[O-]c7c6ccc8c(cc(c(N)c78)S(=O)(=O)[O-])S(=O)(=O)[O-])c9ccc(cc9)S(=O)(=O)[O-]"	0	NA	NA	1	1	NA	"813419931"
"306736"	"306736"	"2,3,7-Trichloro-10H-phenothiazine-1,4-dione"	"ClC1=C(Cl)C(=O)C2=C(Nc3ccc(Cl)cc3S2)C1=O"	0	""	""	1	1	328364	""
"306752"	"306752"	"STK061493"	"Clc1cccc(NC(=O)Nn2cnnc2)c1"	0	""	""	2	1	328377	"35224670"
"306822"	"306822"	""	"Cc1ccc(cc1)[Se](=C(C(=O)c2ccccc2)C(=O)c3ccccc3)c4ccc(C)cc4"	0	""	""	1	1	328406	""
"306864"	"306864"	"DIOSGENIN TETRAGLYCOSIDE"	"CC1CCC2(OC1)OC3CC4C5CC=C6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(C)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C(O)C7OC%10OC(C)C(O)C(O)C%10O"	0	NA	NA	1	1	NA	"50773427"
"306911"	"306911"	".beta.-D-Glucopyranose, 2,3-O-(diethylstannylene)-"	"CC[Sn]1(CC)OC2C(O)OC(CO)C(O)C2O1"	0	""	""	1	1	16683462	""
"306951"	"306951"	"Avarol"	"CC1CCC2(C)C(CCC=C2C)C1(C)Cc3cc(O)ccc3O"	0	NA	NA	10	3	NA	"55303985"
"306960"	"306960"	"CH-382"	"OC(=O)c1cnc2cc(OCc3ccccc3)ccc2c1O"	0	""	""	1	1	328505	"17825228"
"307241"	"307241"	"Adriamycin deriv., mixt. with hydroxyethyl starch (cross..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	NA	""
"307500"	"307500"	"9LC3489KIW"	"NC(=O)C1=NNc2ccccc2C(=O)N1c3ccccc3"	0	""	""	1	1	72802	"63931908"
"307981"	"307981"	"Lonchocarpic acid"	"COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c3OC(=O)C(=C(O)c13)c4ccc(O)cc4"	0	""	""	1	1	54683839	"5490471"
"307990"	"307990"	"5,12-Naphthacenedione, 10-[(3,4-di-O-acetyl-2,6-dideoxy-..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(OC(=O)C)C(OC(=O)C)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	2	2	NA	"73113925"
"308606"	"308606"	"elatericin a"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	8	5	NA	"3877869"
"308787"	"308787"	"10-[(2-Ethoxyphenyl)methylidene]anthracen-9-one"	"CCOc1ccccc1C=C2c3ccccc3C(=O)c4ccccc24"	0	""	""	1	1	328716	""
"308819"	"308819"	"1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2occc2"	0	""	""	1	1	6310903	"4280904"
"308846"	"308846"	"AG542XU5YV"	"COc1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	1	1	328772	"69408997"
"308847"	"308847"	"AMONAFIDE"	"CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23"	0	"TOP2"	"Clinical trial"	14	2	50515	"69408817"
"308849"	"308849"	"1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-p..."	"Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c4cccc(c1)c24"	0	""	""	2	1	328774	"69408839"
"308879"	"308879"	"Panaxadiol"	"CC1(C)CCCC(C)(O1)C2CCC3(C)C2C(O)CC4C5(C)CCC(O)C(C)(C)C5CCC34C"	0	NA	NA	1	1	NA	"19666763"
"308881"	"308881"	"7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.be..."	"OCC1OC(C(O)C1O)n2ccc3c2ncn4ncnc34"	0	""	""	2	2	328780	"78582204"
"309401"	"309401"	"2H-Pyrrolo[3,2-f]quinazoline-2,4(3H)-diamine, 3-[(3-amin..."	"Nc1ccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)cc1"	0	NA	NA	2	2	NA	"77681426"
"309451"	"309451"	"Tetracenomycin C"	"[R]O.[R]OC.[R]=O.COC1C=C2C=C3C(C(=C2C(=C1C(=O)OC)C)O)C(=O)C4(O)CC=CCC4(O)C3=O"	0	""	""	1	1	73632	"71135223"
"309455"	"309455"	"Benzenamine, N,N-bis(2-chloroethyl)-4-ethoxy-, hydrochlo..."	"CCOc1ccc(cc1)N(CCCl)CCCl"	0	""	""	1	1	21144784	""
"309697"	"309697"	"Acetamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NCc4ccccc4"	0	""	""	2	2	84072	"76129152"
"309883"	"309883"	"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline"	"FC(F)(F)c1cccc(c1)S(=O)(=O)N2C(c3cccnc3)c4cccn4c5ccccc25"	0	""	""	2	1	328919	""
"309895"	"309895"	"4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile"	"Cc1cc(Cl)ccc1Nc2sc(C(=O)c3oc4ccc(Cl)cc4c3)c(N)c2C#N"	0	""	""	2	2	328931	""
"309909"	"309909"	"NIMBOLIDE"	"COC(=O)CC1C2(C)C(OC3CC(C(=C23)C)c4cocc4)C5OC(=O)C6(C)C=CC(=O)C1(C)C56"	0	NA	NA	2	1	NA	"25990378"
"309962"	"309962"	""	"O[Mo](=O)(=O)O[As](=O)(O[Mo](=O)(=O)O)O[Mo](=O)(=O)O"	0	NA	NA	1	1	NA	""
"310326"	"310326"	"Maybridge1_000249"	"Clc1ccccc1\N=C/2\SC(=C)C3(CCCCC3)N2C(=O)c4sc5ccccc5c4Cl"	0	""	""	1	1	329165	""
"310340"	"310340"	"[(E)-1-[4-Methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate"	"COc1ccc(cc1CN2CCOCC2)\C(=N\OC(=O)c3c(C)onc3c4ccccc4Cl)\C"	0	""	""	1	1	9555370	""
"310342"	"310342"	"Carbamimidothioic acid, [3-(4-chlorophenyl)-1,2,4-oxadia..."	"NC(=N)SCc1onc(n1)c2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"310365"	"310365"	"2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline"	"Nc1ccccc1SCc2csc(n2)c3ccc(Cl)cc3"	0	""	""	2	2	329202	""
"310547"	"310547"	""	"CSC1=S[Cu]234(S=C(N[N+]2=C(C5CCCCN35)c6ccccc6)SC)N7CCCCC7C(=[N+]4N1)c8ccccc8"	0	NA	NA	2	2	NA	""
"310551"	"310551"	""	"CSC1=S[Cu]234(S=C(N[N+]2=CC5CCCC(C)N35)SC)N6C(C)CCCC6C=[N+]4N1"	0	NA	NA	2	2	NA	""
"310618"	"310618"	"Manicol"	"CC(=C)[C@@H]1CCC2=C(O)C(=O)C(=CC(=C2C1)C)O"	0	NA	NA	2	2	NA	""
"311046"	"311046"	"Euserotin"	"CC\C(=C\C(=O)OC1C\C(=C\CC\C(=C\C2OC(=O)C(=C)C12)\C(=O)O)\C)\C"	0	""	""	1	1	54602158	""
"311053"	"311053"	"Encelin"	"CC12CC3OC(=O)C(=C)C3CC1C(=C)C(=O)C=C2"	0	NA	NA	2	2	NA	"15569503"
"311068"	"311068"	"Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-"	"[O-][N+](=O)c1ccc(Sc2ccncn2)c(c1)[N+](=O)[O-]"	0	""	""	2	2	329304	"73768680"
"311152"	"311152"	"9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate"	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1"	0	NA	NA	17	16	NA	"81531580"
"311153"	"311153"	"9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate"	"Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c4c5cc(O)ccc5[nH]c14"	0	NA	NA	8	6	NA	"81531604"
"311165"	"311165"	"Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]..."	"CC1(C)CC2(C)OC2C3(C1)O\C(=N/c4ccccc4)\N=N3"	0	""	""	1	1	329319	""
"311432"	"311432"	"STK788929"	"CC1=CC(=C(C(C2=C(O)C=C(C)NC2=O)c3ccncc3)C(=O)N1)O"	0	""	""	1	1	54697754	""
"311725"	"311725"	"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine"	"[O-][N+](=O)c1cnc(Sc2ccncn2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	100519	"75477699"
"311727"	"311727"	"5-nitro-2-(4-pyrimidylthio)thiazole"	"[O-][N+](=O)c1cnc(Sc2ccncn2)s1"	0	""	""	2	2	100520	"75464903"
"311978"	"311978"	"1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one"	"CC(C\N=C(\CC(=O)c1ccc(Br)cc1)/c2ccccc2)\N=C(\CC(=O)c3ccc(Br)cc3)/c4ccccc4"	0	""	""	1	1	329419	""
"312033"	"312033"	"Straital B"	"CC(C)C1=C2[C@H]3[C@@H](O)C=C(C=O)[C@@H]4[C@H](O[C@@H]5OC[C@@H](OC(=O)C)C(=O)[C@]45O)[C@]3(C)CC[C@@]2(C)CC1"	0	""	""	3	2	329431	""
"312439"	"312439"	"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate"	"[O-][N+](=O)C(F)(COC(=S)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	329459	"70096912"
"312621"	"312621"	"PRIEURIANIN FROM GUAREA TRICHILIOIDES"	"CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3cocc3)C12C)C4(C)C(CC(=O)OC(C)(COC(=O)C)C4CC(=O)OC)OC(=O)C"	0	NA	NA	2	2	NA	"57672910"
"312825"	"312825"	"Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane"	"CC(C)(OCc1ccccc1)c2ccccc2P(c3ccccc3)c4ccccc4"	0	""	""	1	1	329532	"81073054"
"312887"	"312887"	"Fludarabine"	"Nc1nc(F)nc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O"	0	"Ds|AM|Dr|STAT1"	"FDA approved"	15	11	NA	"75607679"
"313157"	"313157"	"4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis(N(7),..."	"CN(C)c1ccc2c(NCCCCCCNc3cc(C)nc4cc(ccc34)N(C)C)cc(C)nc2c1"	0	""	""	1	1	329576	""
"313158"	"313158"	"4,7-Quinolinediamine, N(4),N(4')-1,8-octanediylbis(N(7),..."	"CN(C)c1ccc2c(NCCCCCCCCNc3cc(C)nc4cc(ccc34)N(C)C)cc(C)nc2c1"	0	""	""	1	1	329577	""
"313159"	"313159"	"4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis[N(7),..."	"CN(C)c1ccc2c(NCCCCCCNc3ccnc4cc(ccc34)N(C)C)ccnc2c1"	0	""	""	1	1	329578	""
"313430"	"313430"	"2-[[2-Benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenylprop-2-en-1-one"	"CC(C)(C)N(CC(=C)C(=O)c1ccccc1)CC(=C)C(=O)c2ccccc2"	0	""	""	2	2	329639	"75030647"
"313432"	"313432"	"etibendazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C3(OCCO3)c4ccc(F)cc4"	0	""	""	2	2	71745	"64420402"
"313680"	"313680"	"Flubenol"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(F)cc3"	0	""	""	2	2	35802	"31430156"
"313681"	"313681"	"Peromide"	"O=C1Nc2ccccc2N1C3CCN(CCOc4ccccc4)CC3"	0	""	""	1	1	68634	"5322532"
"313935"	"313935"	"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine"	"ClCCN(CCCl)c1ccc(\C=N\Nc2ccnc3ccccc23)cc1"	0	""	""	1	1	9555375	"91919550"
"313981"	"313981"	"Gold, chloro(triethylphosphine)-"	"CCP(CC)(CC)[Au]Cl"	0	""	""	2	2	6333884	"15529905"
"313985"	"313985"	"Gold(1+), bis(trimethylphosphine)-, chloride"	"CP(C)(C)[Au]P(C)(C)C"	0	NA	NA	2	2	NA	"38614538"
"313990"	"313990"	"Gold (1+), [.mu.-(1-thio-.beta.-D-glucopyranose-2,3,4,6-..."	"CCP(CC)(CC)[Au][S+]([Au]P(CC)(CC)CC)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	NA	"74765789"
"314018"	"314018"	"ANSAMITOCIN DERIV"	"COC1\C=C\C=C(/C)\Cc2cc(O)c(Cl)c(c2)N(C)C(=O)CC(OC(=O)C(C)C)C3(C)OC3C(C)C4CC1(O)NC(=O)O4"	0	NA	NA	2	2	NA	"72902386"
"314035"	"314035"	"buddledin c"	"C\C\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1=O"	0	NA	NA	2	2	NA	"62346229"
"314055"	"314055"	"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-"	"OCCN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]"	0	""	""	8	2	92390	"74141745"
"314622"	"314622"	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	"TOP1"	""	5	5	329826	"66358494"
"315260"	"315260"	"n-deacetyl-n-formyl-n-methylcolchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)N(C)C=O"	0	""	""	4	2	26819	"14686614"
"315626"	"315626"	"Butyric acid, rhodium salt (4:2)"	"CCCC1=[O][Rh]234OC(=[O][Rh]2(OC(=[O]3)CCC)(O1)[O]=C(CCC)O4)CCC"	0	""	""	2	2	432833	"56281346"
"315844"	"315844"	"2(1H)-pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fl..."	"COC1=NC(=O)N(C=C1F)C2OC(=O)C=C2"	0	NA	NA	1	1	NA	""
"316158"	"316158"	"1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione"	"OCCNCCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	1	1	432861	""
"316458"	"316458"	"Neplanocin A"	"Nc1ncnc2c1ncn2C3C=C(CO)C(O)C3O"	0	NA	NA	2	2	NA	"72877500"
"317003"	"317003"	"9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1ccc(C)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	3	3	13504751	"80568292"
"317605"	"317605"	"1h-indolo[3,2-c]quinoline-9-methanamine, 3-chloro-n,n-di..."	"CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC"	0	""	""	2	1	330267	"34374226"
"317615"	"317615"	"Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate"	"CCOC(=O)c1ccccc1SC(C[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	330275	""
"317908"	"317908"	"(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide"	"CCCNC(=S)N\N=C(/C)\c1ccccn1"	0	""	""	2	2	5371176	"75013659"
"317909"	"317909"	"(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide"	"C\C(=N/NC(=S)NCC#C)\c1ccccn1"	0	""	""	2	2	12563275	"71555594"
"317917"	"317917"	"1-Propanone, 3-(dimethylamino)-2-[(dimethylamino)methyl]..."	"COc1ccc(cc1)C(=O)C(CN(C)C)CN(C)C"	0	NA	NA	1	1	NA	"90548622"
"317921"	"317921"	"9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7..."	"CCN(CC)CCNc1ccc(C)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	2	2	13504750	"80568656"
"318460"	"318460"	"Acetonitrile, 1,3-dithietan-2-ylidenenitro-"	"[O-][N+](=O)C(=C1SCS1)C#N"	0	""	""	1	1	330355	"38042136"
"318506"	"318506"	"LACHNELLA FUNGUS"	"CC1(C)C[C@H]2C=C(C=O)[C@]34C[C@@]3([C@H]2C1)C(=O)OC4O"	0	NA	NA	1	1	NA	"2212999"
"318509"	"318509"	"2(1H)-Pyrimidinone, 5-fluoro-1-.beta.-D-ribofuranosyl-"	"OCC1OC(C(O)C1O)N2C=C(F)C=NC2=O"	0	""	""	3	1	330359	"64967164"
"318538"	"318538"	"2-(4,5-Dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane"	"CSC1(SC2=NCCN2)SC3(NCCN3)S1"	0	""	""	2	2	330385	"69754536"
"318800"	"318800"	"Uridine, 5-fluoro-, 2',3',5'-triacetate"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2C=C(F)C(=O)NC2=O"	0	""	""	5	2	330408	"55474118"
"318805"	"318805"	"BRD-K96548276-001-01-3"	"C\C(=N/NC(=S)N1CCCC1)\c2ccccn2"	0	""	""	2	2	5484394	"71555265"
"318807"	"318807"	"1H-Azepine-1-carbothioic acid, hexahydro-, [1-(2- pyridi..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2ccccn2"	0	""	""	4	2	5494319	"71555414"
"319023"	"319023"	"1-(4-Chloro-7-methoxy-2-quinolyl)-3-(2,6-xylyl)urea"	"COc1ccc2c(Cl)cc(NC(=O)Nc3c(C)cccc3C)nc2c1"	0	""	""	1	1	330430	""
"319073"	"319073"	"OEG3LD2WZG"	"Cc1c2ccnc(C#N)c2c(C)c3c4ccccc4n(Cc5ccccc5)c13"	0	""	""	1	1	330469	"85619110"
"319078"	"319078"	"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol"	"CCOc1cc2c(NCCCN(CCO)CCO)ncnc2c(OCC)c1OCC"	0	""	""	3	1	330472	"33386399"
"319079"	"319079"	"4-Chloro-6,7,8-triethoxyquinazoline"	"CCOc1cc2c(Cl)ncnc2c(OCC)c1OCC"	0	""	""	2	1	330473	""
"319095"	"319095"	""	"OC(=O)C1CSC2(CCCN(Cc3ccccc3)C2)N1"	0	NA	NA	2	1	NA	"66802617"
"319434"	"319434"	"Maybridge4_000689"	"COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1"	0	""	""	2	1	330499	""
"319440"	"319440"	"Maybridge3_000858"	"Cc1ccc2c(NC(c3ccc(cc3)C(=O)O)c4cccn24)c1"	0	""	""	1	1	330505	""
"319447"	"319447"	"2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one"	"COc1cc2Oc3ccccc3C(=O)c2cc1CSc4ccccc4N"	0	""	""	2	2	330512	""
"319467"	"319467"	"Maybridge3_004599"	"CN(C)C(=O)Oc1cc2OC(=O)C=C(C)c2cc1Cl"	0	""	""	1	1	330531	""
"319662"	"319662"	"3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole"	"Cc1[nH]nc(c2ccon2)c1N=O"	0	""	""	1	1	330583	""
"319725"	"319725"	"thiosemicarbazone r"	"CN(C)C(=S)N\N=C(/C)\c1ccccn1"	0	""	""	3	2	5843399	"71555141"
"319726"	"319726"	"Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] h..."	"C\C(=N/NC(=S)N1CCC1)\c2ccccn2"	0	NA	NA	4	2	NA	"71555254"
"319730"	"319730"	"ORIDONIN (THIOL ADDUCT OF)"	"CCCCCCCSCC1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5O)C3(C2O)C1=O"	0	NA	NA	1	1	NA	""
"319947"	"319947"	"2,4-Pyrimidinediamine, 5-(3-azido-4-chlorophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=[N+]=[N-]"	0	""	""	5	5	343098	""
"319995"	"319995"	"1-(4-Chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea"	"COc1ccc2c(Cl)cc(NC(=S)Nc3ccccc3)nc2c1"	0	""	""	1	1	3246633	""
"320209"	"320209"	"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione"	"CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c3cccc(O)c3O)C(=O)C1"	0	""	""	1	1	330812	""
"320218"	"320218"	"1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea"	"CCn1c2ccccc2c3cc(NC(=O)Nc4ccc(cc4C)[N+](=O)[O-])ccc13"	0	""	""	1	1	330820	""
"320301"	"320301"	"Colchicine Derivative"	"COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	"TUBB"	""	6	5	NA	"76129163"
"320308"	"320308"	"FCH1273090"	"NC1(CCCCC1)P(=O)(O)O"	0	""	""	1	1	330854	"67398112"
"320613"	"320613"	"3VL8VB55X4"	"Cc1c2c(nccc2c(C)c3c1c4ccccc4n3Cc5ccccc5)C(=O)N"	0	""	""	1	1	330922	"85619290"
"320846"	"320846"	"Batracylin"	"Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34"	0	"TOP2|TOP1"	"Clinical trial"	9	5	NA	"67199660"
"320877"	"320877"	"geldanamycin deriv"	"COC1CC(C)CC2=C(NCCCl)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C/C(C)C1O)\C)\C)C2=O"	0	NA	NA	5	3	NA	"71952926"
"320884"	"320884"	"Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl..."	"CNC(=N)N\N=C(/c1ccccc1)\c2ccc(Br)cc2"	0	""	""	2	1	54611030	"81728010"
"320931"	"320931"	"n-Decylaminoethanethiosulfuric acid"	"CCCCCCCCCCNCCSS(=O)(=O)O"	0	""	""	1	1	77356	"3752510"
"320951"	"320951"	"Bishelenalinyl malonate"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H]5C=CC(=O)[C@@]35C)OC(=O)C4=C)[C@@]6(C)[C@H]1C=CC6=O"	0	""	""	3	2	330973	"68322918"
"321206"	"321206"	""	"CSC1=S[Cu]2(Br)N3CCCCC3C(=[N+]2N1)c4ccccn4"	0	NA	NA	2	2	NA	""
"321237"	"321237"	"Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-"	"[Hg].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1.Nc4ccccc4"	0	""	""	2	2	135403617	""
"321239"	"321239"	"Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N(7..."	"[Hg].NC1=NC(=S)c2ncn(C3OC(CO)C(O)C3O)c2N1.Oc4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	135403618	""
"321240"	"321240"	""	"[Hg].Oc1ccc(cc1)[N+](=O)[O-].S=C2N=CNc3[nH]cnc23"	0	NA	NA	1	1	NA	""
"321477"	"321477"	"Zexbrevin"	"CC1CC2OC(=O)C(=C)C2C(CC3(C)OC1=CC3=O)OC(=O)C(=C)C"	0	""	""	2	2	331148	"28644862"
"321491"	"321491"	"4-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline"	"Clc1cc(CSc2nc3ccccc3n4cccc24)c5OCOCc5c1"	0	""	""	1	1	331156	""
"321521"	"321521"	"auranofin"	"CCP(CC)(CC)[Au]SC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	"FDA approved"	2	1	6333901	"34031328"
"321522"	"321522"	"Gold(1+), bis(triethylphosphine)-, chloride"	"CCP(CC)(CC)[Au]P(CC)(CC)CC"	0	""	""	2	1	6333902	"65583791"
"321785"	"321785"	"N-(4-Cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea"	"Cc1noc(NC(=O)Nc2ccccc2F)c1C#N"	0	""	""	2	2	331212	""
"322068"	"322068"	""	"CCN(CC)CCC(=O)c1ccccc1"	0	NA	NA	1	1	NA	""
"322072"	"322072"	"(E)-4-[(4-Methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide"	"CCCCCC(C[N+]1(C)CCOCC1)C(=O)\C=C\c2ccccc2"	0	""	""	2	2	54610962	""
"322354"	"322354"	""	"O[C@H]1CC2=C([C@@H](O)[C@H]1O)C(=O)c3c(O)ccc(O)c3C2=O"	0	NA	NA	2	2	NA	"69286222"
"322355"	"322355"	"9,10-Anthracenedione, 1,2,3,4-tetrahydro- 2,3,5,8-tetrah..."	"CC1(O)CC2=C(CC1O)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	331314	"69286175"
"322918"	"322918"	"Woodhousin"	"CC(C)C(=O)OC1CC2(C)CC(OC(=O)C)C(O)(O2)\C(=C/C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	NA	"33143543"
"322920"	"322920"	"(-)-Eburnamonine"	"CC[C@@]12CCCN3CCc4c([C@H]13)n(C(=O)C2)c5ccccc45"	0	""	""	2	2	71203	""
"322921"	"322921"	"Pibenzimol"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(nc5c4)c6ccc(O)cc6"	0	NA	NA	16	10	NA	"23491454"
"323229"	"323229"	"Coaracine (racemic)"	"OCC1OC(C(O)C1O)N2CCC(O)CNC2=O"	0	NA	NA	1	1	NA	""
"323241"	"323241"	"3-Azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-py..."	"C\C(=N/NC(=[Se])N1CC2CCC(CC2)C1)\c3ccccn3"	0	NA	NA	4	4	NA	"79514435"
"323721"	"323721"	"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc5cc(NS(=O)(=O)c6ccc(cc6)N=Nc7cc(N=Nc8ccc(cc8)S(=O)(=O)Nc9cc(C)nc(C)n9)c%10c(NC(=O)C(Cl)Cl)cccc%10c7OC(=O)C(Cl)Cl)nc(C)n5"	0	""	""	1	1	331402	""
"323722"	"323722"	"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimeth"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc5nnc(NS(=O)(=O)c6ccc(cc6)N=Nc7cc(N=Nc8ccc(cc8)S(=O)(=O)Nc9nnc(C)s9)c%10c(NC(=O)C(Cl)Cl)cccc%10c7OC(=O)C(Cl)Cl)s5"	0	""	""	1	1	331404	""
"323918"	"323918"	"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile"	"Clc1ccc(cc1Cl)C2C(C#N)C(=O)NC(=O)C2C#N"	0	""	""	1	1	331439	""
"324043"	"324043"	"acnistin-e"	"CC12CC(OC(=O)[C@]1(C)O)[C@H](C2)[C@]3(O)CC[C@H]4[C@@H]5C[C@H]6O[C@]67[C@@H](O)C=CC(=O)[C@]7(C)[C@H]5CC[C@]34C"	0	NA	NA	1	1	NA	"76994393"
"324051"	"324051"	"Rohituka 7"	"CCC(C)C(O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(CC(c3cocc3)C12C)OC(=O)C)C4(C)C=CC(=O)OC5(C)COC(=O)CC45"	0	NA	NA	1	1	NA	""
"324065"	"324065"	"Flavofungin"	"CC(C)C1OC(=O)\C=C\C=C\C=C\C=C\C=C\CC(O)C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)\C=C\C1C"	0	NA	NA	2	1	NA	"38328448"
"324368"	"324368"	"edelfosine"	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	NA	NA	4	3	NA	"65492822"
"324579"	"324579"	"desmethylbouvardin"	"CC1NC(=O)C2Cc3ccc(O)c(Oc4ccc(cc4)C(O)C(N(C)C(=O)C(C)NC(=O)C(Cc5ccc(O)cc5)N(C)C(=O)C(C)NC1=O)C(=O)N2C)c3"	0	NA	NA	1	1	NA	"88360887"
"324646"	"324646"	"Malformin A"	"CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C2CSSCC(NC1=O)C(=O)N2)C(C)C"	0	"HDAC"	""	1	1	4005	""
"324979"	"324979"	"Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [..."	"CC1=[N+]2NC(=S[Cu]2(Cl)N3CCCCC13)N4CCCCCC4"	0	""	""	4	3	9578788	""
"325014"	"325014"	"BACTOBOLIN"	"C[C@H](N)C(=O)N[C@@H]1[C@@H]2[C@@H](O)[C@H](O)CC(=C2C(=O)O[C@]1(C)C(Cl)Cl)O"	0	""	""	14	7	54676871	"72615204"
"325268"	"325268"	"N-Pyren-1-ylbenzenesulfonamide"	"O=S(=O)(Nc1ccc2ccc3cccc4ccc1c2c34)c5ccccc5"	0	""	""	1	1	331581	""
"325308"	"325308"	"Sungucin"	"C\C=C/1\CN2CCC34C2CC1C5C=C(C6CC78C9CC(C%10C=CC(=O)N(C7%10)c%11ccccc8%11)\C(=C/C)\CN69)C(=O)N(C35)c%12ccccc4%12"	0	""	""	2	2	54600645	""
"325319"	"325319"	"DIDEMNIN B"	"CC[C@@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)O)C(C)OC(=O)C(Cc3ccc(OC)cc3)N(C)C(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)C[C@H]1O)C(C)C"	0	NA	NA	31	5	NA	"77327050"
"325661"	"325661"	"sapindus saponin c"	""	0	NA	NA	1	1	NA	""
"325663"	"325663"	"Saframycin A"	"COC1=C(C)C(=O)C2=C(C(CNC(=O)C(=O)C)N3C(C2)C4N(C)C(CC5=C4C(=O)C(=C(C)C5=O)OC)C3C#N)C1=O"	0	NA	NA	13	8	NA	"66082277"
"326061"	"326061"	"1-Piperidinecarbothioic acid, 2-ethyl-, [1-(2-pyridinyl)..."	"CCC1CCCCN1C(=S)N\N=C(/C)\c2ccccn2"	0	""	""	2	2	9602153	"71555323"
"326182"	"326182"	"5-(Benzo[d][1,3]dioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,..."	"Cc1ccc(Nc2oc(nn2)c3ccc4OCOc4c3)c(C)c1"	0	""	""	1	1	331715	"67829247"
"326203"	"326203"	"neolan yellow be"	"[Na+].CC1=NN(C2=O[Cr+3]3([O-])[O-]C(=O)c4ccc(cc4[N+]3=N[C-]12)S(=O)(=O)[O-])c5ccc(cc5C)S(=O)(=O)[O-]"	0	NA	NA	1	1	NA	"10127056"
"326231"	"326231"	"Buthionine sulphoximine"	"CCCCS(=N)(=O)CC[C@H](N)C(=O)O"	0	"AM"	"Clinical trial"	19	6	NA	"83730534"
"326233"	"326233"	"Epiepoxydon"	"OCC1=C[C@H](O)[C@H]2O[C@H]2C1=O"	0	NA	NA	6	2	NA	"67772763"
"326374"	"326374"	"3-(3-(2-(1H-Pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid"	"OC(=O)CCc1onc(n1)c2ccccc2n3cccc3"	0	""	""	1	1	331761	""
"326408"	"326408"	"Rocaglamide"	"COc1ccc(cc1)[C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@@H]([C@H]3c5ccccc5)C(=O)N(C)C"	0	NA	NA	4	2	NA	"84573160"
"326420"	"326420"	"Benzoic acid, 3,4,5-trimethoxy-, [(3-nitrophenyl)methyle..."	"COc1cc(cc(OC)c1OC)C(=O)N\N=C\c2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	6861410	""
"326757"	"326757"	"1,4-Phenylenebis((4-hydroxyphenyl)methanone)"	"Oc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)c3ccc(O)cc3"	0	""	""	1	1	331833	"15517461"
"327182"	"327182"	"L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-qui..."	"Nc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1"	0	""	""	1	1	135402053	"76849199"
"327697"	"327697"	"(3Z)-5,7-Dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one"	"CN(C)c1ccc(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)cc1"	0	""	""	1	1	135452573	""
"327702"	"327702"	"3-(Benzylthio)phenanthro[9,10-e][1,2,4]triazine"	"C(Sc1nnc2c3ccccc3c4ccccc4c2n1)c5ccccc5"	0	""	""	2	2	332058	"59851319"
"327705"	"327705"	"2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin  3-ylthio)n..."	"ClC1=C(Sc2nnc3c4ccccc4c5ccccc5c3n2)C(=O)c6ccccc6C1=O"	0	""	""	2	2	332061	""
"327727"	"327727"	""	"CC(CN(C)C)C(=O)c1ccccc1"	0	NA	NA	2	2	NA	""
"327929"	"327929"	"Hydrazinecarboimidamide, 2,2'-(2,8-dibenzofurandiyldieth..."	"CNC(=N)N\N=C(/C)\c1ccc2oc3ccc(cc3c2c1)\C(=N\NC(=N)NC)\C"	0	""	""	2	2	54601621	""
"327993"	"327993"	"Roridin A, 8-hydroxy-9B,10B-epoxy-"	"CC(O)C1OCCC(C)C(O)C(=O)OCC23CC(O)C4(C)OC4C2OC5CC(OC(=O)\C=C\C=C\1)C3(C)C56CO6"	0	NA	NA	2	2	NA	"87532318"
"328005"	"328005"	"1,2-cyclohexanediamine, platinum complex (9ci)"	"OP(=O)(O)CC(=O)NC1CC(=O)O[Pt]2(NC3CCCCC3N2)OC1=O"	0	NA	NA	1	1	NA	"80205249"
"328084"	"328084"	"1-(2-Bicyclo[2.2.1]heptanyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea"	"COc1cccc(\C=N\NC(=S)NC2CC3CCC2C3)c1O"	0	""	""	1	1	135452578	""
"328130"	"328130"	"64C9BV8LPJ"	"SC1=NC2(CCCCCC2)NN1c3ccccc3"	0	""	""	2	2	683248	"39263826"
"328166"	"328166"	"8b-hydroxy-9b,10b-epoxyverrucarin a"	"CC1CCOC(=O)\C=C\C=C\C(=O)OC2CC3OC4C5OC5(C)C(O)CC4(COC(=O)C1O)C2(C)C36CO6"	0	NA	NA	8	7	NA	"87532307"
"328186"	"328186"	"3',4',5'-trimethoxy-3-hydroxy flavone"	"COc1cc(cc(OC)c1OC)C2=C(O)C(=O)c3ccccc3O2"	0	""	""	2	2	332208	""
"328403"	"328403"	"Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- tetr..."	"COC1=CC=C2C(=CC1=O)[C@H](CCc3c(C=O)c(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	5	5	NA	"2730827"
"328410"	"328410"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OC)c(OC)cc5nc34)C2=O"	0	"TOP1"	""	1	1	190756	""
"328415"	"328415"	"Ambruticin"	"CCC1OC(CC=C1C)\C(=C\C(C)\C=C\C2C(C)C2\C=C\C3OC(CC(=O)O)CC(O)C3O)\C"	0	""	""	1	1	5477541	"58857026"
"328416"	"328416"	"Withaferin-A diacetate"	"CC(C1CC(=C(COC(=O)C)C(=O)O1)C)C2CCC3C4CC5OC56C(OC(=O)C)C=CC(=O)C6(C)C4CCC23C"	0	NA	NA	2	2	NA	"22848799"
"328426"	"328426"	"PHYLLANTHOSIDE"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(OC(=O)C)C7O"	0	NA	NA	8	8	NA	"63166734"
"328477"	"328477"	"3'-Chloro-3-nitro-o-salicylotoluidide"	"Cc1c(Cl)cccc1NC(=O)c2cccc(c2O)[N+](=O)[O-]"	0	""	""	2	2	332278	"73544884"
"328567"	"328567"	"Benzoic acid, 2-hydroxy-, (2,6-pyridinediyldiethylidyne)..."	"C\C(=N/NC(=O)c1ccccc1O)\c2cccc(n2)\C(=N\NC(=O)c3ccccc3O)\C"	0	NA	NA	2	2	NA	""
"328781"	"328781"	"Iodeosin"	"Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I"	0	""	""	1	1	3259	"15905325"
"328784"	"328784"	"1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, [1-(2-..."	"C\C(=N/NC(=[Se])N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	NA	NA	3	2	NA	"79514413"
"328785"	"328785"	"antineoplastic-328785"	"CN(C)C(=[Se])N\N=C(/C)\c1ccccn1"	0	""	""	4	2	54607693	"79514491"
"328786"	"328786"	"Dinaline"	"Nc1ccc(cc1)C(=O)Nc2ccccc2N"	0	""	""	2	2	42725	"58338593"
"329055"	"329055"	"N'-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide"	"CCOc1cccc(\C=N\NC(=O)C(=O)Nc2cccc(c2)C(F)(F)F)c1O"	0	""	""	1	1	135452594	""
"329060"	"329060"	"N-(4-Fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide"	"Oc1ccccc1\C=N\NC(=O)C(=O)Nc2ccc(F)cc2"	0	""	""	1	1	135452595	""
"329063"	"329063"	"2-(2,3-Dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide"	"Oc1ccccc1\C=N\NC(=O)CSC2CCc3ccccc23"	0	""	""	1	1	135452596	""
"329086"	"329086"	"MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS"	"CNC1=C(C)C(=O)C2=C(C(COC(=O)N)C3(OC)C4NC4CN23)C1=O"	0	NA	NA	1	1	NA	"27066440"
"329124"	"329124"	"R6597"	"[O-][N+](=O)c1oc2ccc3ccccc3c2c1"	0	""	""	2	1	50354	"69267512"
"329125"	"329125"	"2-Nitrofuro[3,2-e][1]benzofuran"	"[O-][N+](=O)c1oc2ccc3occc3c2c1"	0	""	""	1	1	332389	"69267545"
"329127"	"329127"	"2,4-Dinitro-1-benzofuran"	"[O-][N+](=O)c1oc2cccc(c2c1)[N+](=O)[O-]"	0	""	""	1	1	332391	"69227685"
"329223"	"329223"	"r 7000"	"COc1ccc2c(ccc3oc(cc23)[N+](=O)[O-])c1"	0	""	""	2	1	53424	"75965741"
"329225"	"329225"	"Naphtho[2,1-b]furan, 8-methoxy-2-nitro-"	"COc1ccc2ccc3oc(cc3c2c1)[N+](=O)[O-]"	0	""	""	1	1	53425	"75965752"
"329226"	"329226"	"4-Methoxy-2-nitronaphtho[2,1-b]furan"	"COc1cc2ccccc2c3cc(oc13)[N+](=O)[O-]"	0	""	""	3	2	100603	"75965729"
"329250"	"329250"	"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)Nc2nc3ccccc3s2)c(Cl)c1"	0	""	""	2	1	332430	""
"329252"	"329252"	"N-(9H-Carbazol-3-yl)-2-chlorobenzamide"	"Clc1ccccc1C(=O)Nc2ccc3[nH]c4ccccc4c3c2"	0	""	""	1	1	332432	""
"329261"	"329261"	"STK828375"	"O=C1N(Cc2occc2)C(=S)S/C/1=C\c3cccnc3"	0	""	""	2	2	1372564	""
"329273"	"329273"	"N-(Fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide"	"COc1cc(cc(OC)c1OC)C(=O)NN=C2c3ccccc3c4ccccc24"	0	""	""	1	1	332453	""
"329277"	"329277"	""	"CCOc1cccc(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)c1O"	0	NA	NA	1	1	NA	""
"329278"	"329278"	"(3Z)-5,7-Dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one"	"COc1ccc(OC)c(\C=N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23)c1"	0	""	""	1	1	135452600	""
"329287"	"329287"	"N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\2/C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	1	1	332467	""
"329488"	"329488"	"Sellowin A"	"CC(CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@@]5(C)[C@@H]3[C@H](OC5=O)[C@H]6O[C@@]126"	0	""	""	2	1	73589	"34198793"
"329507"	"329507"	"deoxyphorbol, 20-o-acetyl-13-o-isobutyryl-12-o-(z,e)-2,4-"	"CCC\C=C\C=C\C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(=CC2C4C(C)(C)C14OC(=O)C(C)C)COC(=O)C"	0	""	""	2	2	5477555	"71906600"
"329515"	"329515"	"Kijanimicin sodium salt"	"COC1C(O)CC(OC2C(C)OC(CC2OC3CC(O)C(O)C(C)O3)OC4CC(OC5C(C)CC(C)C6C5C=CC7\C(=C/CC(OC8CC(C)(C(NC(=O)OC)C(C)O8)[N+](=O)[O-])\C(=C/C9C=C(CO)C(C)CC9%10OC(=O)C(=C%10O)C(=O)C67C)\C)\C)OC(C)C4O)OC1C"	0	NA	NA	1	1	NA	"78798080"
"329680"	"329680"	"Hepsulfam"	"NS(=O)(=O)OCCCCCCCOS(=O)(=O)N"	0	"A7"	""	14	8	100606	"96892578"
"329690"	"329690"	"ACETYLTIFRUTICIN"	"C\C=C(/C)\C(=O)OC1CC(C)(O)C2OC2C(OC(=O)C)\C(=C\C3OC(=O)C(=C)C13)\C"	0	NA	NA	1	1	NA	"56377594"
"329691"	"329691"	"HM-4"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(CC2O)\C(=C/C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	NA	"78657586"
"329692"	"329692"	"Deoxytifructin"	"C\C=C(/C)\C(=O)OC1CC(C)(O)\C=C/C(O)\C(=C\C2OC(=O)C(=C)C12)\C"	0	NA	NA	2	1	NA	"56377630"
"329695"	"329695"	"HM-9"	"C\C=C(/C)\C(=O)OC1CC(C)(O)C(O)CC(O)\C(=C\C2OC(=O)C(=C)C12)\C"	0	NA	NA	2	1	NA	""
"329696"	"329696"	"HM-9-AO"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(C)(C)OC2CC(=O)\C(=C\C3OC(=O)C(=C)C13)\C"	0	NA	NA	2	2	NA	""
"330271"	"330271"	"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione"	"S=C1N=C(O\C(=N\C2CCCCC2)\N1C3CCCCC3)c4ccccc4"	0	""	""	1	1	332594	"69875441"
"330463"	"330463"	""	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)[N+]#N"	0	NA	NA	1	1	NA	""
"330465"	"330465"	"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=NN(C)C"	0	""	""	3	2	332598	""
"330499"	"330499"	"Macbecin I"	"COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)\C(=C\C=C/C(C)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)C2=O"	0	NA	NA	3	2	NA	"73341727"
"330500"	"330500"	"MACBECIN II"	"COC1CC(C)C(OC)c2cc(O)cc(NC(=O)\C(=C\C=C/C(C)C(OC(=O)N)\C(=C/C(C)C1OC)\C)\C)c2O"	0	"HSP90"	""	10	9	NA	"73341738"
"330507"	"330507"	"Tanespimycin"	"CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	7	5	NA	"75747147"
"330512"	"330512"	"GELDANAMYCIN, N,N'-DIMETHYL"	"CNC(=O)OC1C(OC)\C=C/C=C(\C)/C(=O)N(C)C2=CC(=O)C(=C(CC(C)CC(OC)C(O)C(C)\C=C/1\C)C2=O)OC"	0	NA	NA	5	4	NA	"75747329"
"330516"	"330516"	"schisanterin a"	"COc1cc2C(OC(=O)c3ccccc3)C(C)(O)C(C)Cc4cc5OCOc5c(OC)c4c2c(OC)c1OC"	0	""	""	1	1	332607	""
"330753"	"330753"	"Baccatin III"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](O)C(=C1C5(C)C)C"	0	NA	NA	1	1	NA	"27548932"
"330770"	"330770"	"Carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccccc3"	0	""	""	3	3	54888	"82585919"
"330927"	"330927"	"Ethericin A"	"Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1"	0	""	""	1	1	100615	"68027816"
"331120"	"331120"	"Trichothec-9-ene-4,15-diol, 12,13-epoxy-, cyclic ester"	"CC(O)C(OCCC1=CC(=O)OC1)\C=C\C=C\C(=O)OC2CC3OC4C=C(C)CCC4(CO)C2(C)C35CO5"	0	NA	NA	1	1	NA	""
"331121"	"331121"	"NIVEUSIN A"	"C\C=C(/C)\C(=O)OC1CC2(C)OC(O)(CC2O)\C(=C/C3OC(=O)C(=C)C13)\CO"	0	NA	NA	2	2	NA	"75680261"
"331122"	"331122"	"Zonarol"	"CC1(C)CCC[C@@]2(C)[C@H](Cc3cc(O)ccc3O)C(=C)CC[C@H]12"	0	""	""	2	2	332671	""
"331269"	"331269"	"Oxirane, 2,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-"	"C(Oc1cc2ccccc2cc1OCC3CO3)C4CO4"	0	""	""	1	1	332711	"34898970"
"331757"	"331757"	"2-Anthracenecarboxamide, N-[4-(diethylamino)-1-methylbut..."	"CCN(CC)CCCC(C)NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	4	2	149896	"81086046"
"331798"	"331798"	"2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-"	"Cc1cc(Br)c2nsnc2c1[N+](=O)[O-]"	0	""	""	2	2	332746	"70733298"
"331935"	"331935"	"CHALCONE ANALOG"	"COc1ccc(C(=O)\C=C\c2ccc3OCOc3c2)c(OCc4ccccc4)c1"	0	NA	NA	2	2	NA	""
"331942"	"331942"	"Terconazole"	"CC(C)N1CCN(CC1)c2ccc(OCC3COC(Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2"	0	NA	NA	2	1	NA	"67915315"
"331973"	"331973"	"2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol"	"CC(N1CCOCC1)C(O)(c2ccccc2)c3ccccn3"	0	""	""	1	1	332785	""
"331974"	"331974"	"(E)-But-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate"	"COc1cc2c(NCCCCCCO[N+](=O)[O-])ncnc2c(OC)c1OC"	0	""	""	3	2	6512032	""
"332172"	"332172"	"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile"	"COc1ccc(cc1)\C(=C/c2cc(OC)c(OC)c(OC)c2)\C#N"	0	""	""	1	1	5831763	"49581080"
"332186"	"332186"	"2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile"	"CC1=C(C(=N)C(C#N)C#N)C(=N)Oc2c1ccc3ccccc23"	0	""	""	1	1	332834	""
"332292"	"332292"	"1-propylagroclavine tartrate"	"CCCn1cc2CC3C(C=C(C)CN3C)c4cccc1c24"	0	NA	NA	6	1	NA	"89930609"
"332421"	"332421"	"1,3-Dioxolo[4,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-..."	"Cc1cc(Nc2ccc3OCOc3c2)c4cc5OCOc5cc4n1"	0	""	""	2	2	332900	""
"332424"	"332424"	""	"C\C(=N/Nc1ccc2ccccc2n1)\c3ccccn3"	0	NA	NA	2	2	NA	"70845340"
"332425"	"332425"	"2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone"	"Cc1cc(N\N=C\c2ccccn2)nc3ccccc13"	0	""	""	2	2	9569341	"71508719"
"332427"	"332427"	"4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"C\C(=N/Nc1cc(C)c2ccccc2n1)\c3ccccn3"	0	""	""	2	2	9569343	"70845373"
"332429"	"332429"	"4,6-Dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine"	"Cc1ccc2nc(N\N=C\c3cccc(C)n3)cc(C)c2c1"	0	""	""	1	1	5771681	"71508786"
"332430"	"332430"	"4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"C\C(=N/Nc1cc(C)c2cc(C)ccc2n1)\c3ccccn3"	0	""	""	2	2	9569345	""
"332436"	"332436"	"6-Methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine"	"COc1ccc2nc(N\N=C(/C)\c3ccccn3)cc(C)c2c1"	0	""	""	2	2	9569350	""
"332471"	"332471"	"Ethyl 4-(5,7-dimethyl-4-oxochromen-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(C)NC(=O)NC1C2=COc3cc(C)cc(C)c3C2=O"	0	""	""	2	2	332937	""
"332488"	"332488"	"Anaxirone"	"O=C1N(CC2CO2)N(CC3CO3)C(=O)N1CC4CO4"	0	""	""	2	2	71218	"77658970"
"332595"	"332595"	"PHYSALIN B 5,6-EPOXIDE"	"CC12CC3OC(=O)C1COC45OC6(C2C4=O)C3(C)OC(=O)C6(O)CCC7C5CC8OC89CC=CC(=O)C79C"	0	NA	NA	1	1	NA	""
"332596"	"332596"	"B680433K349"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(OC(=O)C)C(O)C6OC7OC(C)C(O)C(OC(=O)C)C7O"	0	NA	NA	2	2	NA	"82209936"
"332598"	"332598"	"RHIZOXIN"	"CO[C@@H]([C@H](C)[C@H]1C[C@@H](O)[C@]2(C)O[C@H]2\C=C\[C@H](C)[C@@H]3C[C@H](C[C@H]4O[C@@H]4C(=O)O1)CC(=O)O3)\C(=C\C=C\C(=C\c5coc(C)n5)\C)\C"	0	"TUBB"	""	27	12	NA	"90996546"
"332670"	"332670"	"Phenol, 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-"	"Oc1ccccc1c2nc3c4ccccc4c5ccccc5c3[nH]2"	0	""	""	1	1	332972	"24293672"
"332837"	"332837"	"Carbamothioic acid, dimethyl-, S-[2-(2,6-dichlorophenyl)..."	"CN(C)C(=O)SC1=C(C(=O)c2ccccc12)c3c(Cl)cccc3Cl"	0	""	""	2	2	333069	""
"332890"	"332890"	"Carbamic acid, [5-amino-1,2-dihydro-3-(4-methoxyphenyl)p..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc(OC)cc3"	0	NA	NA	3	2	NA	""
"332996"	"332996"	"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3ccc4ccccc4n3"	0	""	""	2	2	6512080	"35896243"
"333003"	"333003"	""	"N(\N=C(/c1ccccc1)\c2ccccn2)c3nc4ccccc4s3"	0	NA	NA	2	2	NA	""
"333054"	"333054"	"Pirarubicin Hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	6711233	""
"333205"	"333205"	"3,4-dithenoyl-1,2,5-oxadiazole-N2-oxide"	"[O-][n+]1onc(C(=O)c2cccs2)c1C(=O)c3cccs3"	0	""	""	2	2	333142	"7733962"
"333329"	"333329"	"(R)-Methyl 2-amino-3-(tritylthio)propanoate hydrochloride"	"COC(=O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	24199543	"62675687"
"333571"	"333571"	"Benzoic acid, 3,4,5-trihydroxy-, phenyl ester"	"Oc1cc(cc(O)c1O)C(=O)Oc2ccccc2"	0	""	""	1	1	333279	"70022138"
"333598"	"333598"	"Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-"	"CCCC[Sn]1(Cl)(Cl)(N2CCCCC2C3CCCCN13)c4ccccc4"	0	""	""	1	1	494241	""
"333843"	"333843"	"HELENIN"	"C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12.C[C@]45CCCC(=C)[C@@H]4C[C@H]6[C@@H](C5)OC(=O)C6=C"	0	NA	NA	2	2	NA	""
"333856"	"333856"	"tetrocarcin a, sodium salt"	"COC(=O)NC1C(C)OC(CC1(C)[N+](=O)[O-])OC2C\C=C(\C)/C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(=O)C)C(C)O5)C(C)CC(C)C4C3(C)\C(=C/9\C(=O)OC%10(CC(=CC(O)C%10\C=C/2\C)C=O)C9=O)\O"	0	NA	NA	12	4	NA	""
"334043"	"334043"	"Thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-"	"CC1=CN(C2CC(O)C(CNC(=O)CBr)O2)C(=O)NC1=O"	0	""	""	1	1	100092	"50700635"
"334072"	"334072"	"Bisbenzimide"	"CCOc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6"	0	NA	NA	2	2	NA	"23491523"
"334352"	"334352"	"9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1ccc(CO)c2Sc3ccc(O)cc3C(=O)c12"	0	""	""	3	3	333459	"86455916"
"334717"	"334717"	"2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-"	"O=C(C#Cc1ccccc1)C2=Cc3ccccc3OC2"	0	""	""	2	2	333501	"86535720"
"335142"	"335142"	"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-,..."	"Cc1c2ccnc(C(=O)N)c2c(C)c3c4ccccc4[nH]c13"	0	""	""	6	2	5351320	"85619289"
"335663"	"335663"	"Acetylrolandrolide"	"CC(=O)OCC1=C2[C@@H](C\C(=C/[C@@H](C[C@](C)(O)\C=C/2\OC1=O)OC(=O)C)\C)OC(=O)C(=C)C"	0	""	""	2	2	5384465	""
"335753"	"335753"	"HELIANGOLIDE"	"C\C=C(\C)/C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(=C/[C@@H]3OC(=O)C(=C)C13)\C"	0	""	""	2	2	5384466	""
"335766"	"335766"	"Quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-"	"CCc1ncnc2cc(OCC3CO3)c(OC)cc12"	0	""	""	2	2	333565	"83674935"
"335787"	"335787"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-me..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3cccc(C)n3"	0	""	""	2	2	9554702	"86919597"
"335789"	"335789"	"3-Azabicyclo[3.2.1]nonane-3-carbothioic acid, [1-(6-meth..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccc(C)n3"	0	NA	NA	3	3	NA	"86919586"
"335791"	"335791"	"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyri..."	"CCC\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccccn3"	0	""	""	3	3	5921457	"86919633"
"335794"	"335794"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"CCC\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	""	""	3	2	5930549	"86919644"
"335989"	"335989"	"colchine, 2-demethyl, n-trifluoro acetyl"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(O)c(OC)c23)NC(=O)C(F)(F)F"	0	""	""	2	2	73627	"86436466"
"335995"	"335995"	"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate"	"CC(=O)Oc1cc2C(=O)Oc3c(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c4C(=O)Oc(c1OC(=O)C)c2c34"	0	""	""	1	1	333594	""
"336003"	"336003"	"2-methylolivacinium acetate"	"Cc1c2cc[n+](C)c(C)c2cc3c4ccccc4[nH]c13"	0	""	""	12	11	5458752	"81531659"
"336032"	"336032"	"4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-..."	"Cc1ccccc1C2NC(=O)C3=Cc4ccccc4OC3=N2"	0	""	""	2	2	333612	"75586355"
"336043"	"336043"	"WGD1TVN7IQ"	"CCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	333618	"81721768"
"336053"	"336053"	"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-"	"Nc1ccc2ccc(NS(=O)(=O)N3CCCCC3)cc2c1"	0	""	""	2	2	333624	""
"336278"	"336278"	"ciclopirox olamine (usan)"	"CC1=CC(=O)N(O)C(=C1)C2CCCCC2"	0	NA	NA	1	1	NA	"41621492"
"336628"	"336628"	"MERBARONE"	"OC1=C(C(=O)Nc2ccccc2)C(=O)NC(=S)N1"	0	NA	NA	14	2	NA	"97534219"
"337581"	"337581"	"ROYLEANONE-7A-FORMYLOXY-6B-HYDROXY-ERU 701"	"CC(C)C1=C(O)C(=O)C2=C(C(OC=O)C(O)C3C(C)(C)CCCC23C)C1=O"	0	""	""	1	1	462176	"65714774"
"337588"	"337588"	"Anthelmycin"	"NC1C(O)C(CO)OC(OC(C(O)C(O)C(O)C(O)CO)C2OC(C(O)C(O)C2N)N3C=CC(=NC3=O)N)C1O"	0	NA	NA	1	1	NA	"12706944"
"337591"	"337591"	"et 12h"	"CCCCCCCCCCCCOCCCOP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	4	209827	"20545964"
"337766"	"337766"	"Bisantrene hydrochloride"	"C1CN=C(N\N=C\c2c3ccccc3c(\C=N\NC4=NCCN4)c5ccccc25)N1"	0	"TOP2"	""	24	15	NA	"71439684"
"337817"	"337817"	""	"NC(=O)N\N=C/1\CCC(O)CC1CC(=O)O"	0	NA	NA	1	1	NA	""
"337827"	"337827"	"3-[(E)-2-Phenylethenyl]benzoic acid"	"OC(=O)c1cccc(\C=C\c2ccccc2)c1"	0	""	""	1	1	5964452	"60901226"
"337851"	"337851"	"Predorine"	"CN(C)c1ccc2c(SCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5C(=O)C[C@]34C)c7ccc(cc7nc2c1)N(C)C"	0	""	""	2	2	333830	"83759460"
"337857"	"337857"	""	"CCCCCCC1=C2C3C4CCC(C4)C3[Pd]125Cl[Pd]67(Cl5)C8C9CCC(C9)C8C6=C7CCCCCC"	0	NA	NA	1	1	NA	""
"337974"	"337974"	"Acridine, 9-phenoxy-"	"O(c1ccccc1)c2c3ccccc3nc4ccccc24"	0	""	""	1	1	100640	"2148143"
"338005"	"338005"	"1-Methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene"	"COc1ccccc1\C=C\C2=C(C)CCC(C2C)c3ccccc3OC"	0	""	""	2	2	6299360	""
"338048"	"338048"	"2-(2,4-dinitrophenyl)isoquinolinium chloride"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])[n+]2ccc3ccccc3c2"	0	NA	NA	2	1	NA	"33107141"
"338258"	"338258"	"ELLIPTICINE, 9-(DIMETHYLAMINOETHOXY)-, DIHYDROCHLORIDE"	"CN(C)CCOc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1"	0	""	""	6	5	54601911	""
"338259"	"338259"	"LYCOBETAINE"	"Oc1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23"	0	NA	NA	2	2	NA	"2121166"
"338268"	"338268"	"Cristatic acid"	"CC(=Cc1occ(CCC\C(=C\Cc2c(O)cc(C)c(C(=O)O)c2O)\C)c1)C"	0	""	""	1	1	5458761	"80557137"
"338269"	"338269"	"permethyl deriv. of cristatic acid"	"COC(=O)c1c(C)cc(OC)c(C\C=C(/C)\CCCc2coc(C=C(C)C)c2)c1OC"	0	""	""	1	1	5458762	"80557115"
"338304"	"338304"	"Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [..."	"CC1=[N+]2NC(=S[Fe]2(Cl)(Cl)N3CCCCC13)N4CCCCCC4"	0	""	""	2	2	9578789	"82641256"
"338423"	"338423"	"2-[(2-Bromo-4-methylphenoxy)methyl]oxirane"	"Cc1ccc(OCC2CO2)c(Br)c1"	0	""	""	1	1	334089	"68224000"
"338519"	"338519"	"(Z)-3-[4-[2-Cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile"	"CN(CCC#N)c1ccc(\C=C(/C#N)\c2cccc(c2)C(F)(F)F)cc1"	0	""	""	1	1	5919582	""
"338537"	"338537"	"Benzoic acid, 2-amino-, [1-(2-hydroxyphenyl)ethylidene]h..."	"C\C(=N/NC(=O)c1ccccc1N)\c2ccccc2O"	0	""	""	1	1	135493674	""
"338643"	"338643"	"6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione"	"O=C1N(C2=C(C(=O)c3ccccc23)c4ccccc14)c5ccccc5"	0	""	""	2	2	334247	"81721826"
"338644"	"338644"	"IRQ11YJ3RC"	"CCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	334248	"81721735"
"338698"	"338698"	"6,9-ethanobenz[g]isoquinoline-5,10-dione, 6,9-dihydro-"	"O=C1C2=C(C3CCC2C=C3)C(=O)c4cnccc14"	0	""	""	2	2	334273	"96937790"
"338947"	"338947"	"CLOMESONE"	"CS(=O)(=O)CS(=O)(=O)OCCCl"	0	"A7"	""	8	3	NA	"88343720"
"338968"	"338968"	"Coumarin 337"	"O=C1Oc2c3CCCN4CCCc(cc2C=C1C#N)c34"	0	""	""	2	1	72654	"55804687"
"338969"	"338969"	"Coumarin 355"	"CCN1CCCc2cc3C(=CC(=O)Oc3cc12)C(F)(F)F"	0	""	""	1	1	72818	"68975495"
"339004"	"339004"	"CHLOROQUINOXALINE SULFONAMIDE"	"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3c(Cl)cccc3n2"	0	""	""	12	4	72462	"97919227"
"339124"	"339124"	"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate"	"O=C1CC(=O)N(C(=O)N1C2CCCCC2)c3ccccc3S(=O)(=O)Oc4ccccc4"	0	""	""	1	1	334318	""
"339127"	"339127"	"((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid"	"Nc1nc(SCC(=O)O)nc(O)c1N"	0	""	""	1	1	135403619	""
"339137"	"339137"	"Physalolactone"	"CC1=C(C)C(=O)OC(C1)C(C)(O)C2(O)CCC3(O)C4CC(Cl)C5(O)C(O)C=CC(=O)C5(C)C4CCC23C"	0	NA	NA	1	1	NA	"71339258"
"339176"	"339176"	"9-(2,6-dichlorobenzyl)-9H-purine-2,6-diamine"	"Nc1nc(N)c2ncn(Cc3c(Cl)cccc3Cl)c2n1"	0	""	""	1	1	334344	""
"339281"	"339281"	"ACTINOMYCIN D 3-PHENYLOXAZINONE"	"CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3Oc4c(C)c5OC(=O)C(=Nc5c(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)c4Nc23)c8ccccc8)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	1	NA	"70570568"
"339316"	"339316"	""	"C\C(=N\NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	NA	NA	2	2	NA	"88324521"
"339496"	"339496"	"1,4-benzenediamine, n1-9-acridinyl-2-methoxy-"	"COc1cc(N)ccc1Nc2c3ccccc3nc4ccccc24"	0	""	""	2	1	334401	""
"339555"	"339555"	"Bryostatin 1"	"CCC\C=C\C=C\C(=O)OC1\C(=C\C(=O)OC)\CC2CC(OC(=O)CC(O)CC3CC(OC(=O)C)C(C)(C)C(O)(CC4C\C(=C\C(=O)OC)\CC(O4)\C=C\C(C)(C)C1(O)O2)O3)C(C)O"	0	NA	NA	16	2	NA	"83314016"
"339570"	"339570"	"4H-1,4-Oxaphosphorinium, 2,2'-methylenebis[4,4,6-triphen..."	"C(C1=C[P+](C=C(O1)c2ccccc2)(c3ccccc3)c4ccccc4)C5=C[P+](C=C(O5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	54604547	"21680897"
"339578"	"339578"	"TCMDC-124301"	"Nc1nc(N)c2c(ccc3[nH]ccc23)n1"	0	""	""	2	2	334409	"65795371"
"339579"	"339579"	"7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine, 7-[(3-nitrophe..."	"Nc1nc(N)c2c(ccc3c2ccn3Cc4cccc(c4)[N+](=O)[O-])n1"	0	NA	NA	2	2	NA	""
"339585"	"339585"	"2-((3-(Dimethylamino)propyl)amino)-1,4-dihydroxyanthra-9,10-quinone"	"CN(C)CCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	1	1	428781	"3900434"
"339600"	"339600"	""	"Cc1cc(C)c(C#N)c(SCC(=O)c2sc3c(C#N)c(C)cc(C)[n+]3c2O)n1"	0	NA	NA	2	2	NA	""
"339616"	"339616"	"2-naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluorom..."	"OC(=O)c1cc2ccccc2c(N=Nc3cc(ccc3Cl)C(F)(F)F)c1O"	0	""	""	1	1	100655	"52238945"
"339638"	"339638"	"FOSTRIECIN"	"[Na+].C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(=O)(O)O"	0	NA	NA	13	11	NA	"87810568"
"339660"	"339660"	"18-acetoxyaphidicolin"	"CC(=O)OCC1(C)C(O)CCC2(C)C1CCC3CC4CC23CCC4(O)CO"	0	NA	NA	2	2	NA	"82026037"
"339672"	"339672"	"Stypoldione"	"CC1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C14CC5=C(O4)C(=CC(=O)C5=O)C"	0	""	""	1	1	3034636	"71103054"
"339704"	"339704"	"POE5E5Q5PZ"	"CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	334473	"81721746"
"339705"	"339705"	"5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(2-hydrox..."	"OCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	334474	"81721791"
"339768"	"339768"	"4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-flu..."	"Cc1c(nc2ccc(F)cc2c1C(=O)O)c3ccc(cc3)C4CCCCC4"	0	""	""	2	2	5167181	""
"339866"	"339866"	"1H-Isoindole-1,3(2H)-dione, 5,5'-dithiobis[6-chlorohexah..."	"ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC(Cl)C(CC2C1=O)SSC3CC4C(CC3Cl)C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C4=O"	0	""	""	2	2	334486	""
"339875"	"339875"	"PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-"	"CCC\C=C\C=C/C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OC(=O)C)COC(=O)C"	0	NA	NA	6	5	NA	"71906586"
"339877"	"339877"	"4(1H)-Quinazolinone, 2,3-dihydro-2-(1-methyl-1H-indol-3-..."	"Cn1cc(C2NC(=O)c3ccccc3N2)c4ccccc14"	0	""	""	2	2	334489	""
"339908"	"339908"	"NOHFHPIPRSKJQF-UHFFFAOYSA-N"	"CN(C)Cc1ccc(cc1)C2=Cc3onc(c4ccccc4)c3C(=O)N2C"	0	""	""	1	1	334509	"64769682"
"340005"	"340005"	"SANPAH"	"[O-][N+](=O)c1cc(ccc1NCCCCCC(=O)ON2C(=O)CCC2=O)N=[N+]=[N-]"	0	""	""	1	1	3035550	"64309053"
"340292"	"340292"	"APHIDICOLIN, 6-B-HYDROXY-"	"CC1(CO)C(O)CCC2(C)C1C(O)CC3CC4CC23CCC4(O)CO"	0	NA	NA	6	1	NA	"82026071"
"340847"	"340847"	"4-Selenazolecarboxamide, 2-.beta.-D-ribofuranosyl-"	"NC(=O)c1c[se]c(n1)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	NA	"83705139"
"341196"	"341196"	"1,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-cyclopropyl..."	"COc1cc(ccc1NC(=O)NC2CC2)c3ccc(NC(=O)NC4CC4)c(OC)c3"	0	""	""	2	2	334739	""
"341651"	"341651"	"senecioylchaparrin, 6-alpha- (b815099k220)"	"CC1C(O)C2(O)OCC34C1CC(=O)OC3C(OC(=O)C=C(C)C)C5C(=CC(O)C(O)C5(C)C24)C"	0	NA	NA	5	5	NA	""
"341931"	"341931"	"Carbamic acid, [5-amino-3-(2,4-dichlorophenyl)-1,2-dihyd..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc(Cl)cc3Cl"	0	""	""	2	2	100668	"82585975"
"341936"	"341936"	"Adenosine, 2-bromo-2'-deoxy-"	"Nc1nc(Br)nc2c1ncn2C3CC(O)C(CO)O3"	0	NA	NA	2	2	NA	"89178212"
"341956"	"341956"	"1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2,3-dihy..."	"COC(=O)C1(C)Cc2cc(OC(=O)C)c(OC(=O)C)cc2N1"	0	""	""	2	2	334839	"72014018"
"341960"	"341960"	"PSORALIN, B-DIETHYLAMINO-5-ETHOXY-"	"CCN(CC)CCOc1c2C=CC(=O)Oc2cc3occc13"	0	NA	NA	1	1	NA	"65799691"
"342435"	"342435"	"QUINAZOLINONE"	"Oc1ccc2NC(NC(=O)c2c1)c3cccc4ccccc34"	0	""	""	6	2	334935	""
"342443"	"342443"	"phyllanthoside, s3'-desacetyl-"	"CC1COC2(CC1OC(=O)\C=C\c3ccccc3)OC4CC(CCC4C25CO5)C(=O)OC6OC(C)C(O)C(OC(=O)C)C6OC7OC(C)C(O)C(O)C7O"	0	NA	NA	5	5	NA	""
"342609"	"342609"	"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione"	"O=C1N(CC#C)C2=C(C(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	334955	"81721780"
"342610"	"342610"	"STL523755"	"O=C1N(C2=C(C(=O)c3ccccc23)c4ccccc14)c5cccnc5"	0	""	""	2	2	334956	"81721837"
"342674"	"342674"	"chebulagic acid"	"OC1C2C(CC(=O)O)C(=O)OC3C4COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)OC3C(OC(=O)c7cc(O)c(O)c(OC1=O)c27)C(OC(=O)c8cc(O)c(O)c(O)c8)O4"	0	NA	NA	1	1	NA	""
"342731"	"342731"	"DIOSQUINONE"	"Cc1cc(O)c2C(=O)C=C(C(=O)c2c1)c3c(C)cc4C(=O)C5OC5C(=O)c4c3O"	0	""	""	2	2	122720	""
"342913"	"342913"	"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone"	"OCCOCCOc1cccc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	335015	""
"342979"	"342979"	"1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one"	"CN(C)CCNc1ccc(C)c2Oc3ccc(O)cc3C(=O)c12"	0	""	""	2	2	434117	"86455961"
"343039"	"343039"	"2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-c..."	"COc1cc(\C=C(/C#N)\C(=O)N)cc(Br)c1O"	0	""	""	2	1	709958	""
"343226"	"343226"	"Methanesulfonic acid;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline"	"[O-][N+](=O)c1ccc2c(ncnc2c1)N3CCC(CCCC4CCN(CC4)c5ncnc6cc(ccc56)[N+](=O)[O-])CC3"	0	""	""	2	2	54611099	"52791169"
"343231"	"343231"	"4-[(E)-2-[2-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide"	"CN(C)c1ccc(\C=C\c2cc[n+](C)c(\C=C\c3ccc(cc3)N(C)C)c2)cc1"	0	""	""	2	2	51062575	""
"343256"	"343256"	"stubomycin"	"COC1CC2\C=C(\C)/C=C/C=C/C(=O)NC(C\C=C\CCC(O)CC(=O)C2=C1O)c3ccccc3"	0	NA	NA	2	2	NA	"77642194"
"343378"	"343378"	"1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]pheny..."	"Cc1ccccc1\N=C(\C2C(=O)c3ccccc3C2=O)/c4ccccc4"	0	""	""	1	1	335118	"90421935"
"343499"	"343499"	"CI-921: amsacrine derivative"	"CNC(=O)c1cccc2c(Nc3ccc(NS(=O)(=O)C)cc3OC)c4cccc(C)c4nc12"	0	"TOP2"	""	7	7	157348	"80841481"
"343513"	"343513"	"dihydrolenperone"	"OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(F)cc3"	0	""	""	14	2	100146	"38077122"
"343550"	"343550"	"1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole"	"Cc1cc(ccc1Br)n2nnnc2SCC#C"	0	""	""	1	1	335168	""
"344003"	"344003"	"9,10-Anthracenedione, 1,5-bis[[3-[(2-hydroxyethyl)amino]..."	"OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12"	0	""	""	1	1	335352	""
"344007"	"344007"	"Piperazine"	"ClCCCN1CCN(CCCl)CC1"	0	"A7"	""	9	7	NA	""
"344025"	"344025"	"sergiolide"	"COC(=O)C12OCC34C(CC5C(C)C6=CC(=O)OC6=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C)C24"	0	NA	NA	8	1	NA	"82290173"
"344270"	"344270"	"Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,3-b]-1,4-ox..."	"CCOC(=O)Nc1cc2OCC(=Nc2c(N)n1)c3ccccc3"	0	""	""	2	2	100678	"87607292"
"344505"	"344505"	"5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6H)-..."	"COc1cc2[C@@H]3[C@H](N(C)C(=O)c2cc1OC)c4cc5OCOc5cc4C3=O"	0	NA	NA	3	3	NA	"66358507"
"344688"	"344688"	"Benzo[c]phenanthridinium, 2,3,8,9,12-pentamethoxy-5-meth..."	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OC)cc3c2cc1OC"	0	""	""	2	2	21144847	""
"344832"	"344832"	"Tricyclo[11.3.1.1(5,9)]octadeca-1(17),5,8,13,15-pentaene..."	"COc1cc2CCCC3=CC(=O)C=C(CCCc(c1)c2OC)C3=O"	0	NA	NA	2	2	NA	"71461295"
"345081"	"345081"	"NCIMech_000338"	"NP(=O)(Oc1c2OC(=O)C=Cc2cc3ccoc13)N(CCCl)CCCl"	0	""	""	1	1	335450	"88181195"
"345296"	"345296"	"N'-(1-Quinolin-2-ylethyl)azepane-1-carbothiohydrazide"	"CC(NNC(=S)N1CCCCCC1)c2ccc3ccccc3n2"	0	""	""	2	2	3436670	"90504226"
"345647"	"345647"	"chaetochromin"	"CC1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)C1C)c4c(O)cc(O)c5c(O)c6C(=O)C(C)C(C)Oc6cc45"	0	NA	NA	1	1	NA	"75514373"
"345842"	"345842"	"mafosfamide"	"OS(=O)(=O)CCSC1CCOP(=O)(N1)N(CCCl)CCCl"	0	""	""	2	1	335628	""
"345845"	"345845"	"4-Quinolinamine, 3-(4,5-dimethylbenzo[h]-1,6-naphthyridi..."	"Cc1cc(nc2c3ccccc3nc(C)c12)c4c(C)nc5ccccc5c4N"	0	""	""	2	2	335629	"71993163"
"346098"	"346098"	"2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide"	"CC1=C[P+](c2ccccc2)(c3ccccc3)c4ccccc4O1"	0	""	""	1	1	24199840	""
"346230"	"346230"	"Enviroxime"	"CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)\C(=N\O)\c3ccccc3"	0	""	""	1	1	5748733	"72301792"
"346243"	"346243"	""	"CC(CCc1ccc2c(c1)c(N)c3ccc(N)cc3[n+]2[O-])CC(C)(C)C"	0	NA	NA	1	1	NA	""
"346882"	"346882"	"1,10-Phenanthroline-5,6-dione"	"O=C1C(=O)c2cccnc2c3ncccc13"	0	""	""	2	2	72810	"27318907"
"347217"	"347217"	"Carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)py..."	"CCOC(=O)Nc1cc2NCC(=Nc2c(N)n1)c3ccc4ccccc4c3"	0	NA	NA	2	2	NA	""
"347466"	"347466"	"selendale"	"O[Se](=O)O"	0	""	""	2	2	54601159	"10102188"
"347512"	"347512"	"FLAVONE ACETIC ACID"	"OC(=O)Cc1cccc2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	20	3	55748	"87626559"
"348115"	"348115"	"Gilvocarcin V"	"COc1cc(C=C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C(C)O)C(O)C5O)c34)c12"	0	""	""	2	1	334288	"77879904"
"348121"	"348121"	"CYANO-NAPA"	"COC1=C(C)C(=O)C2=C(C(CO)N3C(C#N)C4CC5C6OCCN6C2C3C5N4C)C1=O"	0	NA	NA	2	2	NA	""
"348400"	"348400"	"9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D..."	"Nc1nc(Sc2ccc(c3nonc23)[N+](=O)[O-])c4ncn(C5OC(CO)C(O)C5O)c4n1"	0	""	""	2	2	335945	""
"348401"	"348401"	"4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole"	"Nc1nc(Sc2ccc(c3nonc23)[N+](=O)[O-])c4nc[nH]c4n1"	0	""	""	3	3	3246652	""
"348402"	"348402"	"7-Nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole"	"[O-][N+](=O)c1ccc(Sc2ncnc3[nH]cnc23)c4nonc14"	0	""	""	1	1	4982876	"84458526"
"348894"	"348894"	"Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(amin..."	"NC(=N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc4ccccc24)cc1"	0	""	""	5	5	335981	""
"348900"	"348900"	"US9320734, 316"	"CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4"	0	""	""	1	1	335987	""
"348948"	"348948"	"CYCLODISONE"	"O=S1(=O)CS(=O)(=O)OCCO1"	0	"A7"	""	10	3	57513	"99591738"
"348977"	"348977"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ccccn3"	0	""	""	4	3	10248991	"71555550"
"349051"	"349051"	"Quinoline-4-amine, N,N'-1,6-hexanediylbis[6-chloro-, dih..."	"Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1"	0	""	""	4	2	434361	""
"349155"	"349155"	"margetine"	"OC1C=C2C(NC(=O)c3cc4OCOc4cc23)C(O)C1O"	0	NA	NA	11	2	NA	"19622834"
"349156"	"349156"	"PANCRATISTATIN"	"O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@@H]1O"	0	NA	NA	16	2	NA	"96203702"
"349174"	"349174"	"Oxanthrazole"	"NCCCNc1ccc2c3c(nn2CCNCCO)c4c(O)ccc(O)c4C(=O)c13"	0	"TOP2"	""	18	16	NA	"105118125"
"349447"	"349447"	"Tryptanthrin"	"O=C1N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	2	2	73549	"13220570"
"349460"	"349460"	"Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)"	"N[Pt]1(NC2CCC2)OC(=O)C3CCCCC3C(=O)O1"	0	""	""	1	1	434393	""
"349622"	"349622"	"Cytovaricin"	"CCC(O)CC1OC2(CCC1C)CC3OC(=O)\C=C/C(C)(O)C(O)C(C)C(O)C(OC4CC(OC)C(O)C(C)O4)C(O)C(C)(O)CCC\C=C\C5CC(C)COC5(O)CC(O2)C3C"	0	NA	NA	2	2	NA	"79553450"
"349644"	"349644"	"cyanocycline a"	"COC1=C(C)C(=O)C2=C(C(CO)N3C(C#N)C4CC5C6OCCN6C2C3C5N4C)C1=O"	0	""	""	8	7	100158	"82423050"
"349856"	"349856"	"ARONIS020095"	"[O-][N+](=O)c1ccc2N=C3N(C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	336271	""
"350013"	"350013"	"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate"	"CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1"	0	""	""	1	1	336310	"62415934"
"350102"	"350102"	"1,3-benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-"	"COc1ccc(cc1)C(C)c2cc3OCOc3cc2OC"	0	""	""	4	2	72564	"71712168"
"350378"	"350378"	"9H-Purin-6-amine, 9-(2-azido-2-deoxy-.beta.-D-arabinofur..."	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3N=[N+]=[N-]"	0	NA	NA	3	2	NA	"69370827"
"350625"	"350625"	"tic10"	"Cc1ccccc1CN2CC3=C(CCN(Cc4ccccc4)C3=O)N5CCN=C25"	0	""	"Clinical trial"	1	1	NA	"1616632779"
"350629"	"350629"	"2-Propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-D-..."	"CN(C)CC(=C)C(=O)c1ccc(OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)cc1"	0	""	""	4	4	336424	""
"350856"	"350856"	"Ehretinine"	"COc1ccc(cc1)C(=O)O[C@@H]2CCN3CC[C@H](C)[C@H]23"	0	""	""	1	1	336435	"76231293"
"350895"	"350895"	"pingyangmycin"	"CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCN"	0	NA	NA	2	1	NA	"11116328"
"351074"	"351074"	"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid,[1-(1-oxido..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccc[n+]3[O-]"	0	NA	NA	2	2	NA	"87587142"
"351075"	"351075"	"1H-Azepine-1-carbothioic acid, hexahydro-, [1-(2- pyridi..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2cccc[n+]2[O-]"	0	NA	NA	4	3	NA	"87587040"
"351078"	"351078"	"Hydrazinecarbothioamide, N,N-dimethyl-2-[1-(2-pyridinyl)..."	"CN(C)C(=S)N\N=C(/C)\c1cccc[n+]1[O-]"	0	""	""	6	4	44384025	"87587017"
"351105"	"351105"	"4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione, 3a,4,8,8..."	"O=C1C=CC2C3C(C1N2Cc4ccccc4)C(=O)N(C3=O)c5ccccc5"	0	""	""	3	1	336482	""
"351239"	"351239"	"Benzene, 1,4-dichloro-2,5-bis(2-nitroethenyl)-"	"[O-][N+](=O)\C=C\c1cc(Cl)c(\C=C\[N+](=O)[O-])cc1Cl"	0	""	""	2	2	21140908	"90876907"
"351478"	"351478"	"4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-di..."	"OCCN1N=C(C(=C(C#N)C1=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	2	2	100710	"75644052"
"351520"	"351520"	"5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol"	"OC1(N2CCNC2=Nc3ccccc13)c4ccccc4"	0	""	""	1	1	336607	"68210559"
"351521"	"351521"	"piritrexim isethionate"	"COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1"	0	NA	NA	2	2	NA	"79483695"
"351594"	"351594"	"Tin, [1,4-butanediylbis[diphenylphosphine oxide]-O,O']di..."	"Cl[Sn]1(Cl)(c2ccccc2)(c3ccccc3)[O]=P(CCCCP(=[O]1)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	2	2	NA	"79138593"
"351710"	"351710"	"2-methylellpticinium"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	10	9	21123185	"66604680"
"351813"	"351813"	"N'-(2,3-Dihydroxybenzylidene)benzohydrazide"	"Oc1cccc(\C=N/NC(=O)c2ccccc2)c1O"	0	""	""	2	2	135403169	""
"351866"	"351866"	"4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one"	"CC1(C)NP2(Nc3ccccc3O2)OC1=O"	0	""	""	1	1	6330525	""
"351907"	"351907"	"MASTOPARAN"	"CCC(C)C(N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N"	0	NA	NA	2	1	NA	"72093211"
"351965"	"351965"	"AC1NTNKE"	"C\C(=C\1/N=C(OC1=O)c2ccccc2)\c3ccccc3"	0	""	""	1	1	5384656	"57427915"
"352122"	"352122"	"TRIMETREXATE GLUCURONATE"	"COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.OC(C=O)C(O)C(O)C(O)C(=O)O"	0	"Df|DHFR"	"FDA approved"	19	10	54949	"82952645"
"352277"	"352277"	"colchicide.hcl"	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C=CC=C3c2c(OC)c1OC"	0	""	""	5	3	120712	"86436502"
"352299"	"352299"	"2-methylellpticinium"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4[nH]c13"	0	"TOP2"	""	11	10	24199985	""
"352330"	"352330"	"Bis(helenalinyl)glutarate"	"C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CCCC(=O)O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H]5C=CC(=O)[C@@]35C)OC(=O)C4=C)[C@@]6(C)[C@H]1C=CC6=O"	0	""	""	3	3	336831	"77928519"
"352670"	"352670"	"Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-..."	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCc5ccccc5)cc3c2cc1OC"	0	""	""	2	2	434589	""
"352671"	"352671"	"2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid"	"CCOc1cc2c(OCc3ccccc3)cc4c5cc(OC)c(OC)cc5c[n+](C)c4c2cc1OC"	0	""	""	2	2	434591	""
"352692"	"352692"	"1,3-Benzodioxole, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-prop..."	"COc1ccc(cc1)C(C)c2cc3OCOc3cc2OCC=C"	0	""	""	2	2	336858	""
"352741"	"352741"	"N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide"	"CC(NNC(=S)N1CCN(CC1)c2ccccn2)c3cccc[n+]3[O-]"	0	""	""	1	1	3003953	"87587200"
"352752"	"352752"	"1H-Pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,..."	"[R]CO.[R]COC(=O)NC.Clc1ccc(cc1Cl)c2ccc3CCCn23"	0	NA	NA	1	1	NA	""
"352876"	"352876"	"Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-ben..."	"COc1cc(cc(OC)c1OC)C(C)c2cc3OCOc3cc2OCCO"	0	""	""	1	1	336892	""
"352890"	"352890"	"9-DEAZAADENOSINE"	"Nc1ncnc2c(c[nH]c12)C3OC(CO)C(O)C3O"	0	""	""	4	2	5351324	"77691033"
"353076"	"353076"	"6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]-5..."	"[Br-].[Br-].CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	10	9	54600648	""
"353255"	"353255"	"Mercuric Chloride"	"Cl[Hg]Cl"	0	""	""	2	2	24085	"7487947"
"353281"	"353281"	"2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid"	"OC(=O)C(Cc1ccc(I)cc1)NC(=O)c2ccc(I)cc2"	0	""	""	2	1	336952	""
"353286"	"353286"	"3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid"	"OC(=O)C(Cc1ccc(Cl)cc1)NC(=O)c2ccc(I)cc2"	0	""	""	2	1	336957	""
"353451"	"353451"	"Mitozolomide"	"NC(=O)c1ncn2C(=O)N(CCCl)N=Nc12"	0	"A7"	""	10	6	71766	"85622953"
"353492"	"353492"	"8H-[1,3]Oxazolo[3,4-a]perimidin-10-one"	"O=C1OCC2=Nc3cccc4cccc(N12)c34"	0	""	""	1	1	337010	"61636213"
"353494"	"353494"	"colchicine analog"	"CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13"	0	NA	NA	7	4	NA	"86436353"
"353500"	"353500"	"[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate"	"O=C(O[Sn](OC(=O)c1ccccn1)(c2ccccc2)c3ccccc3)c4ccccn4"	0	""	""	1	1	16683508	"5271727"
"353527"	"353527"	"antineoplastic-353527"	"CCOc1ccc(N\C(=O\[Sn+4]([ClH-])([C-]2CCCCC2)([C-]3CCCCC3)[C-]4CCCCC4)\[N-]C#N)cc1.CCN(CC)CC"	0	NA	NA	4	2	NA	""
"353648"	"353648"	"1,3-Benzodioxole, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-"	"CCOc1ccc(cc1)C(C)c2cc3OCOc3cc2OC"	0	""	""	1	1	337030	"90632705"
"353739"	"353739"	"Bismuthine, (acetyloxy)diphenyl-"	"CC(=O)O[Bi](c1ccccc1)c2ccccc2"	0	""	""	1	1	16683509	"4723244"
"353849"	"353849"	"TEUPENSIN"	""	0	NA	NA	1	1	NA	""
"353882"	"353882"	"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil"	"CN1C=C(C=C(C(=O)C)C(=O)C)C(=O)N(C)C1=O"	0	""	""	5	3	337115	"74442981"
"353896"	"353896"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[1-(1-..."	"CC(NNC(=S)N1CCN(CC1)c2ccccn2)c3nccc4ccccc34"	0	""	""	2	2	3000691	"87555622"
"354049"	"354049"	"LMU-3 HERZ"	"CC(=O)OC\C=C(/C)\C(=O)OC1CC2(C)OC2\C=C/C(=C/C3OC(=O)C(=C)C13)/CO"	0	NA	NA	3	2	NA	"87376861"
"354051"	"354051"	"Liscunditrin"	"C\C=C(/COC(=O)C)\C(=O)OC1CC2(C)OC2C3OC3\C(=C\C4OC(=O)C(=C)C14)\CO"	0	NA	NA	3	2	NA	"57498881"
"354258"	"354258"	"8-Chloro-adenosine"	"Nc1ncnc2c1nc(Cl)n2C3OC(CO)C(O)C3O"	0	"AM"	"Clinical trial"	3	3	337175	"34408145"
"354437"	"354437"	"Cordifene"	"C\C=C(/C)\C(=O)OC1CC2(C)OC2C3OC3C(=C)C(O)C4OC(=O)C(=C)C14"	0	NA	NA	1	1	NA	"65522329"
"354462"	"354462"	"HYPOTHEMYCIN"	"COc1cc(O)c2C(=O)OC(C)C\C=C\C(=O)C3OC3CC(O)C(O)c2c1"	0	"PK:YK,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"76958673"
"354646"	"354646"	"Morpholinodoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N6CCOCC6)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP1"	""	36	5	NA	"89196043"
"354670"	"354670"	"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thia..."	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3nccs3"	0	NA	NA	5	3	NA	""
"354671"	"354671"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2- t..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3nccs3"	0	NA	NA	4	3	NA	""
"354843"	"354843"	"Albacarcin M"	"COc1cc(C)cc2C(=O)Oc3c(cc(OC)c4c(O)ccc(C5OC(C)C(O)C(C)(O)C5O)c34)c12"	0	NA	NA	6	3	NA	"92934548"
"354961"	"354961"	"3-((9-Amino-7-ethoxyacridin-3-yl)diazenyl)pyridine-2,6-d..."	"CCOc1ccc2nc3cc(ccc3c(N)c2c1)\N=N\c4ccc(N)nc4N"	0	NA	NA	2	2	NA	""
"354974"	"354974"	"Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dime..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(OC)c23)NC(=O)C"	0	""	""	7	7	100173	"57866214"
"354975"	"354975"	"1,2-Didemethylcolchicine"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(O)c(O)c23)NC(=O)C"	0	""	""	4	4	100174	"78231831"
"355063"	"355063"	"Granatomycin A"	""	0	""	""	3	2	135476747	""
"355081"	"355081"	"Quinterenol hydrochloride"	"CC(C)NCC(O)c1ccc(O)c2ncccc12"	0	NA	NA	1	1	NA	"31613920"
"355170"	"355170"	"9N2BLV59GJ"	"c1ccc(cc1)c2cnnc3c4c(c5ccccc5)c(nnc4nn23)c6ccccc6"	0	""	""	1	1	337393	"79441922"
"355171"	"355171"	"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine"	"COc1ccc(cc1)c2cnnc3c(cnn23)c4cccc(c4)C(F)(F)F"	0	""	""	1	1	337394	"79441933"
"355184"	"355184"	"9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-h..."	"CN(C)CCNc1ccc(CO)c2Oc3ccc(O)cc3C(=O)c12"	0	""	""	2	1	337396	"86455983"
"355256"	"355256"	"Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	7	7	NA	"86436397"
"355450"	"355450"	"Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetr..."	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)COc4ccccc4"	0	""	""	8	4	100175	"86436455"
"355457"	"355457"	"11H-Indeno[1,2-c]isoquinolinium, 9-hydroxy-2,3,8-trimeth..."	"COc1cc2c(Cc3c2[n+](C)cc4cc(OC)c(OC)cc34)cc1O"	0	NA	NA	2	2	NA	"96705565"
"355461"	"355461"	"SESBANIMIDE"	"CC1C(=C)COC1(O)C2OCOC(C3CC(=O)NC(=O)C3)C2O"	0	NA	NA	4	1	NA	""
"355637"	"355637"	"colchicine, n-carbethoxy-deacetyl"	"CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13"	0	""	""	8	4	55498	"86436422"
"355638"	"355638"	"n-107-4 (streptomyces sp)"	""	0	NA	NA	2	2	NA	""
"355639"	"355639"	"8XC2K63IJD"	"CCCCCCN1CCN(Cc2ccc(cc2)N(CC)CC)C(=O)C1=O"	0	""	""	1	1	100732	"78201806"
"355644"	"355644"	"Anthrapyrazole derivative"	"CNCCNc1ccc2c3c(nn2CCNCCO)c4c(O)ccc(O)c4C(=O)c13.CC(=O)O"	0	"TOP2"	""	27	18	NA	""
"356200"	"356200"	"1,3,5,2,4-Trioxadistannin-6-one, 2,2,4,4-tetraethyl-"	"CC[Sn]1(CC)OC(=O)O[Sn](CC)(CC)O1"	0	""	""	2	2	16683517	"87880635"
"356207"	"356207"	"Paulomycin A"	"CC[C@H](C)C(=O)O[C@H](C)C1(O)C(C)OC(CC1OC)OC2C(O)C(OC(COC(=O)C)C2OC(=O)\C(=C\C)\N=C=S)[C@]3(O)CC(=O)C(=C(C(=O)O)C3=O)N"	0	""	""	4	2	135488940	""
"356232"	"356232"	"Poly[1H-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-..."	"[R]CC(=O)O[Sn](CC)(CC)n1cc([R])c2ccccc12"	0	NA	NA	1	1	NA	""
"356235"	"356235"	"L-Cysteine, homopolymer, diphenyltin complex"	""	0	NA	NA	1	1	NA	""
"356244"	"356244"	"Carbamic acid, (1-methylethyl)-, [5-(4-chlorophenyl)-2,3..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc(Cl)cc2)n3CCCc13"	0	""	""	2	2	337614	""
"356363"	"356363"	""	"CN1CCN(CCCNN)CC1"	0	NA	NA	1	1	NA	""
"356777"	"356777"	"2-Propen-1-one, 3-(4-chlorophenyl)-1-(1-hydroxy-7-oxo- 1..."	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc(Cl)cc2"	0	""	""	2	2	5918418	""
"356778"	"356778"	"2-Propen-1-one, 1-(1-hydroxy-7-oxo-1,3,5-cycloheptriene-..."	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	2	54604759	""
"356885"	"356885"	"antibiotic p 168"	"CCC(C)\C=C\C(=O)N1CC(C)CC1C(=O)NC(CC(C)CC(O)CC(=O)CC)C(=O)NC(C(O)C(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C"	0	NA	NA	2	2	NA	"76600389"
"356887"	"356887"	"COUMARIN DERIV"	"C\C(=C/COc1ccc2C=CC(=O)Oc2c1)\CC3OC(=O)C(=C3)C"	0	""	""	1	1	5776876	"51559332"
"356894"	"356894"	"Gusperimus Trihydrochloride"	"NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(=N)N"	0	NA	NA	18	2	NA	"85468015"
"356903"	"356903"	"3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one"	"OC1=C(C=CC=CC1=O)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	5889984	"77633057"
"357088"	"357088"	"Coleonol"	"CC(=O)O[C@@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C"	0	NA	NA	1	1	NA	"64657110"
"357090"	"357090"	"QUETTAMINE"	"COc1ccc2CC[N+](C)(C)[C@@H]3[C@H](Oc1c23)c4ccc(O)cc4"	0	""	""	1	1	5458827	"82373022"
"357092"	"357092"	"Carboxyphthalato platinum"	"OC(=O)c1ccc2C(=O)O[Pt]3(NC4CCCCC4N3)OC(=O)c2c1"	0	""	""	1	1	6419850	""
"357114"	"357114"	"nitralamine hydrochloride(usan)"	"NCCSC(C[N+](=O)[O-])c1ccccc1Cl"	0	NA	NA	2	2	NA	"1432753"
"357288"	"357288"	"LIATRIS LAEVIGATA LACTONE #2"	"C\C=C(/C)\C(=O)OC1CC2(C)C(C3OC(=O)C(=C)C13)C(=C)CCC2=O"	0	""	""	2	2	5477810	""
"357503"	"357503"	"25-dihydrosaframycin a"	"COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)O)N3C(C2)C4N(C)C(CC5=C4C(=O)C(=C(C)C5=O)OC)C3C#N)C1=O"	0	NA	NA	4	4	NA	"81382094"
"357594"	"357594"	"Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate"	"Cc1cc2c(cc1C)[N+]3=Cc4c(CO)cnc(C)c4O[Mg]35Oc6c(C)ncc(CO)c6C=[N+]25"	0	""	""	1	1	3332004	""
"357680"	"357680"	"BUELLOLIDE"	"COc1cc(Oc2c(C)c(Cl)c(OC)c(Cl)c2OC)c3C(=O)OCc3c1Cl"	0	""	""	1	1	337850	"69799333"
"357683"	"357683"	"ECHINOSPORIN"	"NC(=O)C1=CC2C3C=CC2(O)C(=O)OC3O1"	0	""	""	2	2	72542	"79127358"
"357703"	"357703"	"5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)[N+]([O-])(Cc6ccccc6)Cc7ccccc7)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	1	1	337853	""
"357704"	"357704"	"Cyanomorpholinodoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(C(O)C(C)O5)N6CCOCC6C#N)c4c(O)c3C(=O)c12)C(=O)CO"	0	"Db"	""	35	6	NA	"88254073"
"357757"	"357757"	"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one"	"COc1ccc2C(=O)C3=C(NCCc4cc5OCOc5cc34)c2c1OC"	0	""	""	1	1	337866	"81816059"
"357777"	"357777"	""	"NC(=N)c1ccc(cc1)N=Nc2c(O)ccc3c4ccccc4[nH]c23"	0	NA	NA	3	2	NA	""
"357826"	"357826"	"Thapsuine A"	"CC1OC(OC2C(O)C(O)C(OC3C(O)C(C)OC(O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)[C@@H]5C=C[C@]78OC[C@@]9(CCC(C)(C)CC79)CC[C@@]68C)[C@]4(C)CO)C3OC%10OC(CO)C(O)C(O)C%10O)OC2CO)C(O)C(O)C1O"	0	""	""	2	1	5458837	"76429000"
"357885"	"357885"	"biantrazole"	"OCCNCCNc1ccc2c3c(nn2CCNCCO)c4cccc(O)c4C(=O)c13"	0	NA	NA	3	3	NA	"88303611"
"357895"	"357895"	"2-Ethyl-1,2-benzothiazol-3-one"	"CCN1Sc2ccccc2C1=O"	0	""	""	2	2	337889	"4299063"
"358257"	"358257"	"Butanamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(m..."	"CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	6	2	337948	""
"358304"	"358304"	"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione"	"COc1ccc(cc1)C2=C(Cl)C(=O)N(C(=O)C2(Cl)Cl)c3ccc(OC)cc3OC"	0	""	""	1	1	337974	""
"359079"	"359079"	"Rebeccamycin"	"COC1C(CO)OC(C(O)C1O)n2c3c(Cl)cccc3c4c5C(=O)NC(=O)c5c6c7cccc(Cl)c7[nH]c6c24"	0	"TOP1"	""	6	3	NA	"93908022"
"359239"	"359239"	"Antibiotic X-14766A"	"CCOC(=O)C1OC(CC1O)C2(C)OC3(OC4(OC(C(C)C(=O)C(C)C(O)C(C)CC(C)c5c(Cl)cc(C)c(O)c5C(=O)O)C(C)CC4C)C=CC3O)C(C)C2OC"	0	NA	NA	3	2	NA	"75283066"
"359415"	"359415"	"1-Methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride"	"CN1CCC(CC1)C(=O)NNc2ccccc2"	0	""	""	3	2	24200122	""
"359416"	"359416"	"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-"	"CC12CCc3ccccc3C1=Nc4ccccc24"	0	""	""	1	1	338174	"26490835"
"359449"	"359449"	"ELLIPTICINE DERIV SRI-NB-B233-55-29"	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	9	6	5458841	""
"359452"	"359452"	"Oxanosine"	"NC1=Nc2c(ncn2C3OC(CO)C(O)C3O)C(=O)O1"	0	NA	NA	2	1	NA	"80394725"
"359454"	"359454"	""	"[O-][N+](=O)c1ccc(N\N=C/2\CCCC\C(=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\CS(=O)(=O)C2)c(c1)[N+](=O)[O-]"	0	NA	NA	2	1	NA	"71138493"
"359463"	"359463"	"1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride"	"CCN(CC)Cc1cc(ccc1O)\N=N\c2c(O)ccc3c(\N=N\c4ccc(O)c(CN(CC)CC)c4)c(O)ccc23"	0	""	""	2	2	135488941	""
"359466"	"359466"	"4-[(4-Carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride"	"NC(=N)c1ccc(cc1)N=Nc2c(O)c(cc3ccccc23)C(=O)Nc4ccccc4"	0	""	""	2	2	135502362	""
"359565"	"359565"	"6-Formylphenoxathiine-4-carboxylic acid"	"OC(=O)c1cccc2Sc3cccc(C=O)c3Oc12"	0	""	""	1	1	338202	""
"359701"	"359701"	"Maybridge3_000341"	"CC(=O)NC1=Cc2cc(N)ccc2OC1=O"	0	""	""	1	1	338232	""
"359708"	"359708"	"1H-Azepine-1-carbothioic acid, hexahydro-, [1-(3-methylp..."	"C\C(=N/NC(=S)N1CCCCCC1)\c2nccnc2C"	0	""	""	1	1	5378367	""
"359892"	"359892"	"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-"	"Cc1ccc2OC3OC(C)(C(=O)C=C3)c2c1"	0	""	""	2	2	434882	""
"360038"	"360038"	"Iridogermanal"	"CC(=CC(O)C\C(=C\CC\C(=C/CCC1(C)C(CCCO)\C(=C(\C)/C=O)\CCC1(C)O)\C)\C)C"	0	""	""	1	1	5458843	"81456986"
"360042"	"360042"	"Haginin A"	"COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1OC"	0	""	""	2	2	338286	"74174291"
"360072"	"360072"	"Zuihonin A"	"C[C@H]1[C@@H](C)[C@@H](O[C@H]1c2ccc3OCOc3c2)c4ccc5OCOc5c4"	0	""	""	1	1	338287	""
"360215"	"360215"	"8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid"	"OC(=O)C1C2C=CC(=O)C(C1C(=O)O)N2Cc3ccccc3"	0	""	""	1	1	434893	""
"360219"	"360219"	"N-(1-Methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide"	"CN1C(CC(=O)C(NC(=O)C)C1c2ccccc2)c3ccccc3"	0	""	""	1	1	338325	""
"360239"	"360239"	"Piperidine, 2,6-diphenyl-1-methyl-4-[(phenylmethoxy)imin..."	"CN1C(CC(=NOCc2ccccc2)CC1c3ccccc3)c4ccccc4"	0	""	""	4	2	338334	""
"360335"	"360335"	"2,4-Hexanedione, 3-[(3,4-dichlorophenyl)methylene]-6-(di..."	"CC(CN(C)C)C(=O)\C(=C\c1ccc(Cl)c(Cl)c1)\C(=O)C"	0	""	""	1	1	54607735	""
"360494"	"360494"	"1-(4-Chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid"	"OC(=O)c1nn(c2ccc(Cl)cc2)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	1	1	338385	"79712611"
"360702"	"360702"	"1-Piperazinecarboxylic acid, 4-formyl-, 2-[2,5-bis(1-azi..."	"COC(COC(=O)N1CCN(CC1)C=O)C2=C(N3CC3)C(=O)C(=C(N4CC4)C2=O)C"	0	""	""	2	2	338440	"91706557"
"360852"	"360852"	"angelylgrandifloric acid"	"C\C=C(/C)\C(=O)OC1C(=C)C2CCC3C4(C)CCCC(C)(C4CCC13C2)C(=O)O"	0	NA	NA	1	1	NA	""
"360853"	"360853"	"methyl ciliarate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34C[C@@H]5[C@@H](C[C@@H]23)[C@]5(C)C4"	0	""	""	1	1	338441	""
"361054"	"361054"	"3-Methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole"	"CC1C(Nc2ccccc12)c3[nH]c4ccccc4c3C"	0	""	""	1	1	338452	"30697097"
"361126"	"361126"	"Destruxin A"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	NA	NA	1	1	NA	""
"361127"	"361127"	"Destruxin E"	"CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC3CO3)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O"	0	""	""	3	2	107863	""
"361128"	"361128"	"Skyrin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)c4c(O)cc(O)c5C(=O)c6c(O)cc(C)cc6C(=O)c45"	0	""	""	6	2	73071	"602062"
"361413"	"361413"	"NEOTENONE"	"COc1cc2OCOc2cc1C3COc4cc5occc5cc4C3=O"	0	""	""	1	1	73603	"10091028"
"361589"	"361589"	"Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium"	"COc1cc2c[n+](C)c3c4cc(OC)c(OCc5ccccc5)cc4c(OCc6ccccc6)cc3c2cc1OC"	0	""	""	2	2	24200166	""
"361605"	"361605"	"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[tetrahydro-5-oxo..."	"C[Si](C)(C)OC1CC(=O)OC1N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	434954	""
"361667"	"361667"	"N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide"	"CC(=O)NC1=Cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2OC1=O"	0	""	""	1	1	338565	""
"361668"	"361668"	"N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide"	"CC(=O)NC1=Cc2cc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2OC1=O"	0	""	""	1	1	338566	""
"361671"	"361671"	"4HO2NF1XS3"	"O=C1Oc2ccccc2C3=C1Sc4ccccc4N3"	0	""	""	1	1	338569	"75908144"
"361672"	"361672"	"STK865620"	"N(\N=C\c1cccnc1)c2nnc3c4ccccc4[nH]c3n2"	0	""	""	1	1	5771686	"73718282"
"361792"	"361792"	"Thiocolchicine"	"COc1c(O)cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC"	0	"TUBB"	""	9	5	NA	"87424257"
"361887"	"361887"	"1H-Purine-2,6-dione, 8-[3-(dimethylamino)propoxy]-3,7- d..."	"CN(C)CCCOc1nc2N(C)C(=O)N(C)C(=O)c2n1C.SC3=NC=NC4=NC=NC34"	0	""	""	1	1	5477848	"80539942"
"362342"	"362342"	"6-Nitrobenzo[g]quinoxaline-5,10-dione"	"[O-][N+](=O)c1cccc2C(=O)c3nccnc3C(=O)c12"	0	""	""	1	1	338711	"72225231"
"362453"	"362453"	"Butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyan..."	"OC(=O)CCC(=O)OCCN1N=C(C(=C(C#N)C1=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	4	2	100760	"82232197"
"362454"	"362454"	"4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-di..."	"OCCN1N=C(C(=C(C#N)C1=O)c2ccc(F)cc2)c3ccc(F)cc3"	0	""	""	3	2	100761	"75643560"
"362637"	"362637"	"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide"	"NC(=O)c1oc(c(c2ccccc2)c1c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	338739	"77719949"
"362639"	"362639"	"2-(2-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)ph..."	"OC(=O)C1=NN(C(=O)NC1=O)c2ccccc2C3=NNC(=O)NC3=O"	0	""	""	1	1	338741	"72177301"
"362664"	"362664"	"3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one"	"CN(\N=C\1/C(=O)Nc2ccccc12)c3ccccc3"	0	""	""	1	1	135403203	""
"362868"	"362868"	"Methanediamine, 1-(2-chlorophenyl)-N,N'-dipyrazinyl-"	"Clc1ccccc1C(Nc2cnccn2)Nc3cnccn3"	0	""	""	1	1	100764	"93371949"
"363002"	"363002"	"Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol"	"COc1cccc2C=[N+](c3cc(C)ccn3)[Cu]4(Oc5c(OC)cccc5C=[N+]4c6cc(C)ccn6)Oc12"	0	""	""	1	1	435019	""
"363143"	"363143"	"Stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13,16-..."	"Cl[Sn](Cl)(c1ccccc1)c2ccccc2.C3COCCOCCOCCOCCOCCO3"	0	""	""	2	2	338856	""
"363182"	"363182"	"kijanimicin deriv"	"COC1C(O)CC(OC2C(O)CC(OC3CC(OC4C(C)CC(C)C5C4C=CC6\C(=C/CC(OC7CC(C)(C(NC(=O)OC)C(C)O7)[N+](=O)[O-])\C(=C/C8C=C(CO)C(C)CC89OC(=O)C(=C9O)C(=O)C56C)\C)\C)OC(C)C3O)OC2C)OC1C"	0	NA	NA	8	4	NA	""
"363250"	"363250"	"Benzo[c]phenanthridinium, 2,12-dihydroxy-3,8,9-trimethox..."	"COc1cc2c(cc1O)c(O)cc3c4cc(OC)c(OC)cc4c[n+](C)c23"	0	""	""	2	2	24200207	""
"363438"	"363438"	"1,2-Piid"	"c1ccc2c(c1)[nH]c3c2nc4ccccn34"	0	""	""	1	1	100767	"60067392"
"363785"	"363785"	"Veprisine"	"COc1ccc2C3=C(C=CC(C)(C)O3)C(=O)N(C)c2c1OC"	0	""	""	1	1	338941	"76525263"
"363787"	"363787"	"Bulleyanin"	"CC(=O)O[C@@H]1C(O)C2C[C@]3([C@@H](C[C@H]4C(C)(C)[C@@H](CC(OC(=O)C)C4(C)[C@@H]13)OC(=O)C)OC(=O)C)C(=O)C2=C"	0	NA	NA	3	3	NA	""
"363811"	"363811"	"Platinum, tetrachloro(1,2-cyclohexanediamine-N,N')-, [OC..."	"Cl[Pt]1(Cl)(Cl)(Cl)NC2CCCCC2N1"	0	NA	NA	1	1	NA	""
"363812"	"363812"	"TETRAPLATIN"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])N[C@@H]2CCCC[C@H]2N1"	0	"A7"	""	9	4	NA	"62816982"
"363813"	"363813"	"Platinum, tetrachloro(1,2-cyclohexanediamine-N,N')-, [OC..."	"Cl[Pt]1(Cl)(Cl)(Cl)NC2CCCCC2N1"	0	NA	NA	2	2	NA	""
"363916"	"363916"	"2,4-Thiazolidinedione, 3-[(dimethylamino)methyl]-5-[1-[(..."	"CN(C)CN1C(=O)S\C(=C\2/C(=O)N(CN(C)C)c3ccccc23)\C1=O"	0	""	""	1	1	3000988	""
"363951"	"363951"	"N-[(E)-1-Quinolin-8-ylethylideneamino]azepane-1-carbothioamide"	"C\C(=N/NC(=S)N1CCCCCC1)\c2cccc3cccnc23"	0	""	""	2	2	54601897	""
"363952"	"363952"	"4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide"	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3cccc4cccnc34"	0	""	""	2	1	9554716	""
"363979"	"363979"	"active compound from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3[C@H]4CCC5Cc6nc7C[C@]8(C)C(CC[C@H]9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4CC(=O)[C@@]23CO[C@]1%13OC(C)(C)CC%13O"	0	NA	NA	10	9	NA	"112088569"
"363980"	"363980"	"active compound from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3[C@H]4CCC5Cc6nc7C[C@]8(C)C(CC[C@H]9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4(O)CC(=O)[C@@]23CO[C@]1%13OC(C)(C)CC%13O"	0	NA	NA	5	5	NA	""
"363981"	"363981"	"from cephalodiscus gilchristi"	"CC1C(O)[C@@]2(OC[C@]34[C@@H](CC=C3[C@H]5CCC6Cc7nc8C[C@]9(C)C(CC[C@H]%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5(O)CC4=O)C2C)OC1(C)C"	0	""	""	1	1	6711241	""
"363997"	"363997"	""	"OCCNCCNc1cccc2C(=O)c3c(NCCNCCO)cccc3C(=O)c12"	0	NA	NA	3	2	NA	""
"363998"	"363998"	"Anthracene-9,10-dione, 1,5-bis[3-[[(2-hydroxyethyl)amino..."	"OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12"	0	""	""	2	2	5351330	""
"364163"	"364163"	"N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide"	"CC(=O)Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1"	0	""	""	2	1	435113	""
"364170"	"364170"	"SERGEOLIDE,DESACETYL"	"COC(=O)C12OCC34C(CC5C(C)C6=CC(=O)OC6=CC5(C)C3C(O)C1O)OC(=O)C(O)C24"	0	NA	NA	6	5	NA	""
"364188"	"364188"	"4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole- 1,..."	"CN1CCN(CN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(CN7CCN(C)CC7)C6=O)C3C2=O)CC1"	0	""	""	1	1	49861682	""
"364432"	"364432"	"SarCNU"	"CN(CC(=O)N)C(=O)N(CCCl)N=O"	0	""	""	4	1	100773	"81965437"
"364433"	"364433"	"N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum"	"CC1=[N+]2NC(=S[Pt]2(Cl)(Cl)(Cl)N3CCCCC13)N4CC5CCC(CC5)C4"	0	""	""	2	2	9578793	""
"364634"	"364634"	"CFHZNSBPDDMPQF-UHFFFAOYSA-N"	"c1ccc2c(c1)[nH]c3c2nc4sccn34"	0	""	""	1	1	367303	"60067405"
"364657"	"364657"	"[1,1'-Biphenyl]-2-ol, 4'-chloro-5-[(7-chloro- 4-quinolin..."	"CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(c1O)c4ccc(Cl)cc4"	0	""	""	2	1	54601565	"93338115"
"364830"	"364830"	"Camptothecin Derivative"	"CCN(CC)CC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	462186	""
"365081"	"365081"	"IH1L3XQE7W"	"CC(=O)c1c(C)n(C)c2c3ccccc3nnc12"	0	""	""	1	1	339250	"82157888"
"365356"	"365356"	"TETRACENOMYCIN C, AMINO-BUTYRYL-"	"COC(=O)c1c(C)c2c(O)c3C(=O)C4(O)C(=O)C=C(OC)C(=C4C(=O)c3cc2cc1OC)OC(=O)CC(C)N"	0	NA	NA	1	1	NA	""
"365360"	"365360"	"Quinoline-4-amine, N,N'-[(piperazine-1,4-diyl)bis (propa..."	"COc1ccc2nccc(NCCCN3CCN(CCCNc4ccnc5ccc(OC)cc45)CC3)c2c1"	0	NA	NA	3	3	NA	""
"365400"	"365400"	"(5Z)-2,9-Dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium"	"COc1ccc2c(CCc3cc(OC)ccc3[N+](=[N+]2[O-])[O-])c1"	0	""	""	2	1	135484514	""
"365712"	"365712"	"Benzene, 1-bromo-2,3-dimethoxy-5-(2-nitroethenyl)-"	"COc1cc(\C=C\[N+](=O)[O-])cc(Br)c1OC"	0	""	""	1	1	5858115	"54291906"
"365793"	"365793"	"Perezone"	"CC(CCC=C(C)C)C1=C(O)C(=O)C(=CC1=O)C"	0	""	""	2	2	339385	"13120666"
"365798"	"365798"	"Fostamatinib"	"Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1"	0	"Ds|Rs|PK:YK,SYK"	"Clinical trial"	2	2	NA	"10083246"
"366078"	"366078"	"n-benzoyldeacetylthiocolchicine"	"COc1cc2CCC(NC(=O)c3ccccc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	6	2	339411	"63620473"
"366140"	"366140"	"PYRAZOLOACRIDINE"	"COc1ccc2Nc3c(ccc4c3c(nn4CCCN(C)C)c2c1)[N+](=O)[O-]"	0	"Db"	"Clinical trial"	8	2	NA	"99009219"
"366220"	"366220"	"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one"	"BrC1=C(Br)c2ccccc2C(=O)c3ccccc13"	0	""	""	1	1	339483	""
"366241"	"366241"	"Ditercalinium dimethanesulfonate dimethanesulfonate"	"COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CC5)C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)cc4c3c2c1.CS(=O)(=O)O.CS(=O)(=O)O"	0	NA	NA	13	2	NA	""
"366739"	"366739"	"Chaetoglobosin A"	"CC1C\C=C\C2C3OC3(C)C(C)C4C(Cc5c[nH]c6ccccc56)NC(=O)C24C(=O)\C=C/C(=O)C(O)\C(=C\1)\C"	0	NA	NA	2	2	NA	""
"367077"	"367077"	"5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine"	"CCOc1nc(N)nc(C)c1N=Nc2ccc(Cl)cc2"	0	""	""	1	1	339620	""
"367084"	"367084"	"Ethanaminium, N-[7-(diethylamino)-3H-phenoxazin-3-yliden..."	"CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC"	0	NA	NA	2	2	NA	"33203826"
"367089"	"367089"	"Naphthol AS-BI"	"COc1ccccc1NC(=O)c2cc3cc(Br)ccc3cc2O"	0	""	""	2	1	71060	"1237758"
"367413"	"367413"	"1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidamide, 4,5-dihy..."	"NC(=N)c1nn(C2OC(CO)C(O)C2O)c3N=CNC(=O)c13"	0	""	""	2	2	135502367	"90914480"
"367416"	"367416"	"MP2Y265TQ7"	"COc1ccc2Nc3nc4ccccc4nc3Sc2n1"	0	""	""	1	1	339701	"74396455"
"367428"	"367428"	"5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy..."	"COC1NC(=O)NC(=O)C1(F)C(=O)OC"	0	""	""	1	1	339703	"65905966"
"367480"	"367480"	"Maybridge1_004665"	"Clc1ccc(cc1)C(=O)Nc2cc(n[nH]2)c3ccccc3"	0	""	""	1	1	339736	""
"368176"	"368176"	""	"CC1=[O][Ru]23([O]=C(C)CC(=[O]2)C)([O]=C(C)C1)[O]=C(C)C(C=O)C(=[O]3)C"	0	NA	NA	1	1	NA	"76790971"
"368252"	"368252"	"STK632730"	"COc1ccc(cc1OC)C(N2CCOCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	339886	""
"368253"	"368253"	"1,3-Benzodioxol-5-ol, 6-[1-piperidinyl(3,4,5-trimethoxyp..."	"COc1cc(cc(OC)c1OC)C(N2CCCCC2)c3cc4OCOc4cc3O"	0	""	""	2	1	339887	""
"368390"	"368390"	"Brequinar"	"Cc1c(C(=O)O)c2cc(F)ccc2nc1c3ccc(cc3)c4ccccc4F"	0	"Ds|Rs"	""	17	12	NA	"96201886"
"368671"	"368671"	"Bruceanol E"	"CCCCCCCC\C=C\CC(=O)OC1C2C(=C)C(O)C3(O)OCC24C(CC5C(=CC(=O)C(O)C5(C)C34)C)OC1=O"	0	NA	NA	5	3	NA	""
"368672"	"368672"	"Bruceanol E"	"CCCCC\C(=C\CC(=O)OC1C2C(=C)C(O)C3(O)OCC24C(CC5C(=CC(=O)C(O)C5(C)C34)C)OC1=O)\C"	0	""	""	7	6	5458871	""
"368697"	"368697"	"Benz[a]anthracene-1,7,12(12b-H)-trione, 2,3,4,4a-tetra- ..."	"CC1(O)CC2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)C2(O)C(=O)C1O"	0	""	""	5	5	43854	""
"368891"	"368891"	""	"CC1(C)N=C(N)N=C(N)N1c2cccc(CSc3ccccc3)c2"	0	NA	NA	1	1	NA	"87739400"
"369066"	"369066"	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine"	"[O-][N+](=O)c1cccc(c1)c2nc3ncccn3c2N=O"	0	""	""	1	1	339983	""
"369067"	"369067"	"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine"	"[O-][N+](=O)c1cccc(c1)c2nc3cnccn3c2N=O"	0	""	""	1	1	339984	""
"369100"	"369100"	"Imiquimod"	"CC(C)Cn1cnc2c(N)nc3ccccc3c12"	0	"AM|TLR7|ImmuneResMod"	"FDA approved"	2	1	NA	"99011026"
"369289"	"369289"	"Coumarin 340"	"FC(F)(F)C1=CC(=O)Oc2cc3NCCCc3cc12"	0	""	""	1	1	100790	"53518164"
"369310"	"369310"	""	"COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	NA	""
"369327"	"369327"	"elsamicin"	"COC1C(N)C(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C(O)C2(C)O)OC(C)C1O"	0	""	""	3	2	5384876	"97068309"
"369395"	"369395"	"10-aminocamptothecin"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	"TOP1"	""	2	2	190763	""
"369397"	"369397"	"qinghaosu"	"CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4"	0	NA	NA	6	1	NA	"63968649"
"369504"	"369504"	"Dillapional"	"COc1c(OC)c(\C=C\C=O)cc2OCOc12"	0	""	""	1	1	5458880	"38971743"
"369937"	"369937"	"Acetamide, N-[5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy..."	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1O)SC"	0	NA	NA	4	3	NA	"87424268"
"370284"	"370284"	"6-[(3,4,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-be..."	"COc1cc(cc(OC)c1OC)C(N2CCCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	340208	"116409291"
"370463"	"370463"	"3-Thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole"	"C1Cc2c(n[nH]c2c3cccs3)c4ccccc14"	0	""	""	2	2	340251	"52837613"
"370656"	"370656"	"Imidazo[1,2-a]pyridinium, 2,2'-[(1,4-piperazinediyl)bis(..."	"C[n+]1c(cn2ccccc12)c3ccc(\C=N/N4CCN(CC4)\N=C\c5ccc(cc5)c6cn7ccccc7[n+]6C)cc3"	0	NA	NA	1	1	NA	""
"370875"	"370875"	"D 15413"	"CCn1c(cc2c(Cl)cc(O)cc12)c3c(Cl)cc(O)cc3Cl"	0	""	""	1	1	54995	"83364038"
"371002"	"371002"	"podophyllotoxin deriv. (jurd)"	"COc1cc(cc(OC)c1OC)C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	2	2	146614	"116409257"
"371010"	"371010"	"6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro-6,7- dim..."	"COc1cc(cc(OC)c1OC)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	2	146609	""
"371168"	"371168"	"Hydrazinecarboximidamide, 2-[(3,5-dibromo-2-hydroxypheny..."	"N\C(=N/O)\N\N=C\c1cc(Br)cc(Br)c1O"	0	NA	NA	2	2	NA	""
"371189"	"371189"	"13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione"	"Clc1ccc(cc1)N2C3=C(\N=N\c4ccccc4)C(=Nc5ccccc5S3)N(C2=S)c6ccccn6"	0	""	""	1	1	435511	""
"371488"	"371488"	"9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,..."	"CN(C)CC1CCC2=C(C(C3=C(CCC(CN(C)C)C3=O)O2)c4ccc(Cl)c(Cl)c4)C1=O"	0	NA	NA	2	2	NA	""
"371722"	"371722"	"1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea"	"FC(F)(F)c1ccc(Cl)c(NC(=O)Nc2cccc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)c2)c1"	0	""	""	1	1	340699	""
"371777"	"371777"	"Cyto9H5"	"Nc1ccccc1SC(C[N+](=O)[O-])c2ccc3OCOc3c2"	0	""	""	1	1	340720	""
"371846"	"371846"	"NCIMech_000562"	"COc1ccc2c(CCc3c(n[nH]c23)c4n[nH]c5c4CCc6cc(OC)ccc56)c1"	0	""	""	1	1	340765	""
"372074"	"372074"	"2-(5-(Benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol"	"OC1=C(O)C(=N)OC1c2c[nH]c3ccc(OCc4ccccc4)cc23"	0	""	""	2	1	340877	""
"372146"	"372146"	"1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-"	"CC(=C)c1nc(Oc2ccccc2)nc(Oc3ccccc3)n1"	0	""	""	4	2	340916	""
"372155"	"372155"	"2-Propenamide, N-[(cyanoamino)iminomethyl]-2-methyl-"	"CC(=C)C(=O)NC(=N)NC#N"	0	""	""	5	3	135429904	"7046959"
"372162"	"372162"	"Chitosanbiguanide"	""	0	NA	NA	2	1	NA	""
"372208"	"372208"	"urdamycin a"	"CC1OC(CCC1O)OC23C(=O)CC(C)(O)CC2(O)C=CC4=C3C(=O)c5ccc(C6CC(OC7CCC(OC8CC(O)C(O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O"	0	NA	NA	1	1	NA	"98474216"
"372294"	"372294"	"7-(Hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol"	"OC1=C2Nc3ccc(cc3N=C2OC1c4c[nH]c5ccc(COc6ccccc6)cc45)[N+](=O)[O-]"	0	""	""	1	1	4066133	""
"372295"	"372295"	"7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one"	"OC1=C2Nc3ccc(cc3N=C2OC1c4ccc(cc4)C5OC6=Nc7cc(ccc7NC6=C5O)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	5086250	""
"372364"	"372364"	"15-[(11-Oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)sulfonyl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-n"	"O=C1c2ccc(c3cccc(c4nc5ccccc5n14)c23)S(=O)(=O)c6ccc7C(=O)n8c(nc9ccccc89)c%10cccc6c7%10"	0	""	""	1	1	341016	""
"372390"	"372390"	"CFG0931IY0"	"CC1=C(C)C(=O)C2=C(OCCCO2)C1=O"	0	""	""	1	1	341020	"70661288"
"372474"	"372474"	""	"[R]Cl.[R]C(=O)C(=C)CN1CCOCC1.c2ccccc2"	0	NA	NA	2	2	NA	""
"372485"	"372485"	"17-ethoxy-10-thiocolchicine"	"CCOCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	7	4	NA	"97043022"
"372486"	"372486"	"n-(butoxycarbonyl)deacetylthiocolchicine"	"CCCCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	7	2	NA	"97043044"
"372546"	"372546"	""	"Cl.[Pt].NC(=S)N\N=C\c1nccc2ccccc12"	0	NA	NA	2	2	NA	""
"372547"	"372547"	""	"NC1=S[Zn]234(S=C(N)N[N+]2=CC5C6CCCCC6CCN35)N7CCC8CCCCC8C7C=[N+]4N1"	0	NA	NA	2	2	NA	""
"372585"	"372585"	"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol"	"COc1ccc(cc1OC)C(NCCNC(c2ccc(OC)c(OC)c2)c3cc4OCOc4cc3O)c5cc6OCOc6cc5O"	0	""	""	2	2	341099	""
"372848"	"372848"	"L-Alanine, (dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrro..."	"CC(N)C(=O)OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C(C)N)C5=O)C2C1=O"	0	""	""	1	1	435620	""
"372939"	"372939"	"NCI-372939"	"CCc1nc(N)nc(N)c1c2ccc(NCCN)c(c2)[N+](=O)[O-]"	0	""	""	4	4	3449946	""
"372944"	"372944"	"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(N3CCNCC3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	341263	""
"372950"	"372950"	"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)\N=C\N(C)C"	0	""	""	3	3	341268	""
"373031"	"373031"	"n-formyldeacetylthiocolchicine"	"COc1cc2CCC(NC=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	NA	NA	8	2	NA	"2731239"
"373032"	"373032"	"n-(vinyloxycarbonyl)deacetylthiocolchicine"	"COc1cc2CC[C@H](NC(=O)OC=C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	8	3	341280	"97043055"
"373045"	"373045"	"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate"	"CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)c2ccc(C)cc2)c3cccc(c3)[N+](=O)[O-])C(=O)c4ccc(C)cc4"	0	""	""	1	1	341281	""
"373300"	"373300"	"[2-[(4-Chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate"	"Cc1cc(Cl)ccc1NC(=O)NC(C)(C)COC(=O)Nc2cccc(Cl)c2"	0	""	""	1	1	341374	""
"373355"	"373355"	"Saframycin R"	"COC1=C(C)C(=O)C2=C([C@@H]3[C@@H]4Cc5c(OC(=O)CO)c(C)c(OC)c(O)c5[C@H](CNC(=O)C(=O)C)N4[C@@H](C#N)[C@H](C2)N3C)C1=O"	0	""	""	2	2	341380	""
"373529"	"373529"	"4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3..."	"CN1CCN(CN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(CN7CCN(C)CC7)C6=O)C3C2=O)CC1"	0	""	""	2	1	3246685	""
"373535"	"373535"	"N-(2,6-Dioxo-3-piperidinyl)benzamide"	"O=C(NC1CCC(=O)NC1=O)c2ccccc2"	0	""	""	1	1	341427	"91393021"
"373814"	"373814"	"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate"	"COC(=O)C1=C(C2OC1c3cc4ccccc4cc23)C(=O)OC"	0	""	""	2	2	341502	"85827970"
"373854"	"373854"	"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide"	"CCN1C(=NS(=O)(=O)c2ccccc12)Cl"	0	""	""	1	1	198691	"107089770"
"373911"	"373911"	"2-Chloro-6-methoxyquinoline-5,8-dione"	"COC1=CC(=O)c2nc(Cl)ccc2C1=O"	0	""	""	1	1	341543	"42065076"
"373965"	"373965"	"GULF COMPOUND, PRODRUG"	"NC(Cc1ccccc1)C(=O)OCN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(COC(=O)C(N)Cc7ccccc7)C6=O)C3C2=O"	0	""	""	1	1	353257	""
"373980"	"373980"	"R 7371"	"Cc1c(oc2ccc3ccccc3c12)[N+](=O)[O-]"	0	""	""	1	1	55508	"86539675"
"373981"	"373981"	"R 7516"	"OCCc1c(oc2ccc3ccccc3c12)[N+](=O)[O-]"	0	""	""	2	2	56909	"95455020"
"374028"	"374028"	"Camptothecin Derivative"	"CCC1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCC3=C1C=C4N(Cc5cc6ccccc6nc45)C3=O"	0	"TOP1"	""	4	4	NA	""
"374111"	"374111"	"7-Imino-N,N-dimethylphenothiazin-3-amine"	"CN(C)c1ccc2N=C3C=CC(=N)C=C3Sc2c1"	0	""	""	1	1	435683	"93211804"
"374551"	"374551"	"FENRETINIDE"	"C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C"	0	"Ds"	"Clinical trial"	4	2	NA	"65646686"
"374898"	"374898"	"Magon"	"Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc4ccccc4O)c2O)c(C)c1"	0	""	""	1	1	100814	"523671"
"374979"	"374979"	"Neuro_000210"	"COc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC(=O)C)c1OC(=O)C)SC"	0	""	""	4	4	435731	""
"374980"	"374980"	"Acetamide, N-[2,3-bis(acetyloxy)-5,6,7,9-tetrahydro-1-me..."	"COc1c(OC(=O)C)c(OC(=O)C)cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c12)SC"	0	""	""	6	6	435732	""
"374998"	"374998"	"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2-py..."	"C\C(=N/NC(=S)N1CCN(CC1)c2ccccn2)\c3ncccn3"	0	""	""	5	3	9574395	""
"375086"	"375086"	"Methanediamine, 1-(2,6-dichlorophenyl)-N,N'- bis(1,3,4-t..."	"Clc1cccc(Cl)c1C(Nc2nncs2)Nc3nncs3"	0	""	""	1	1	341772	""
"375162"	"375162"	"Imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dih..."	"C1CN=C(N\N=C\c2ccc(cc2)c3cn4cc(\C=N\NC5=NCCN5)ccc4n3)N1"	0	NA	NA	2	2	NA	""
"375389"	"375389"	"9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-..."	"CN(C)CCNc1cccc2Sc3ccc(O)cc3C(=O)c12"	0	""	""	1	1	341818	"86456317"
"375489"	"375489"	"forskolin"	"CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(C)(OC13C)C=C"	0	""	""	8	2	47936	"66575299"
"375501"	"375501"	"1-[7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,..."	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	2	146604	""
"375505"	"375505"	"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol"	"COc1cccc(C2CC(C)(Oc3cc4OCOc4cc23)N5CCCC5)c1O"	0	""	""	2	2	146599	""
"375575"	"375575"	"Cyclopentenyl Cytosine"	"NC1=NC(=O)N(C=C1)[C@@H]2C=C(CO)[C@@H](O)[C@H]2O"	0	""	""	19	8	72828	"90597221"
"375726"	"375726"	"BACCHARINOID A-1 (BUSAM)"	"CC(O)C1OCC(O)C(C)(CC(=O)OCC23CCC(=CC2OC4CC(OC(=O)\C=C\C=C\1)C3(C)C45CO5)C)OC(=O)C"	0	NA	NA	2	2	NA	"93633911"
"375867"	"375867"	"loganin, 6-beta-hydroxy"	"COC(=O)C1=CO[C@@H](OC2OC(CO)C(O)C(O)C2O)[C@H]3[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]13"	0	""	""	1	1	341846	"84395222"
"375875"	"375875"	"DREGEOSIDE AO1"	"COC1CC(OC2CCC3(C)C4C(OC(=O)C)C(OC(=O)CC(C)C)C5(C)C(CCC5(O)C4CC=C3C2)C(=O)C)OC(C)C1OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6"	0	""	""	1	1	435773	""
"375985"	"375985"	"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol"	"CC1=CC(=O)Nc2cc3oc4ccccc4c3cc12"	0	""	""	2	2	341872	""
"376111"	"376111"	"pancratium littorale"	""	0	NA	NA	4	3	NA	""
"376128"	"376128"	"DOLASTATIN 10"	"CC[C@@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@@H](OC)[C@H](C)C(=O)N[C@H](Cc2ccccc2)c3nccs3)OC)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)C"	0	"TUBB"	"Clinical trial"	10	4	NA	"110417884"
"376248"	"376248"	"Nordracorubin"	"COc1cc2OC3=CC(=O)C=C4OC(=CC(=C34)c2c5OC(CCc15)c6ccccc6)c7ccccc7"	0	""	""	1	1	341882	"35290223"
"376251"	"376251"	"Carbamic acid, [5,6,7,9-tetrahydro-3-hydroxy-1,2-dimetho..."	"CCOC(=O)N[C@H]1CCc2cc(O)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	4	2	341883	""
"376254"	"376254"	"Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl- 5-(methy..."	"COc1cc2[C@@H]3[C@H](N(C)C(=O)c2cc1OC)c4cc(OC)c(OS(=O)(=O)C)cc4C3=O"	0	NA	NA	3	3	NA	""
"376265"	"376265"	"antineoplastic-376265"	"C\C(=N/NC(=S)N1CCN(CC1)C2CCCCCC2)\c3ccccn3"	0	""	""	5	4	5351332	""
"376266"	"376266"	"1-Piperazinethiocarboxylic acid, 4-(2-propynyl)- 2-[1-(2..."	"C\C(=N/NC(=S)N1CCN(CC#C)CC1)\c2ccccn2"	0	NA	NA	5	5	NA	""
"376484"	"376484"	"3-Pyrrolidinecarboxamide, N-(3,4-dichlorophenyl)-2,4-dio..."	"Clc1ccc(NC(=O)C2C(=O)CN(C2=O)c3ccccc3)cc1Cl"	0	""	""	1	1	341959	""
"376597"	"376597"	"4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-te..."	"CN1CCN(CN2C(=O)C3C4C=CC(C5C4C(=O)N(CN6CCN(C)CC6)C5=O)C3C2=O)CC1"	0	""	""	2	1	54611271	""
"376598"	"376598"	"4,8-Ethanopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3..."	"OCN1C(=O)C2C3CCC(C4C3C5C4C(=O)N(CO)C5=O)C2C1=O"	0	""	""	2	1	341961	""
"376739"	"376739"	"5,12-Naphthacenedione, 10-[(2,6-dideoxy-.alpha.-L-lyxo-h..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(O)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	3	3	341996	""
"377174"	"377174"	"YNS772IK61"	"COC1=CC(=O)C(=CC1=O)C#C"	0	""	""	1	1	342085	"82511237"
"377396"	"377396"	"8-Quinolinyl 2,6-dichlorophenylcarbamate"	"Clc1cccc(Cl)c1NC(=O)Oc2cccc3cccnc23"	0	""	""	1	1	342123	""
"377467"	"377467"	"Benzofuran, 2-(4-chlorophenyl)-5-methoxy- 3-(4-methyl-1-..."	"COc1ccc2oc(c3ccc(Cl)cc3)c(N4CCN(C)CC4)c2c1"	0	""	""	2	1	21144903	""
"377521"	"377521"	"2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one"	"COc1cc(cc(OC)c1OC)C2N3C(COC3=O)Cc4cc5OCOc5cc24"	0	""	""	2	2	435851	""
"377686"	"377686"	"CHLORINATED CYCLOHEXANE DER 4"	"CC1(Cl)CC(C)(\C=C\Cl)C(Cl)CC1Cl"	0	""	""	1	1	5478047	""
"377852"	"377852"	"5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate"	"FC(F)(F)c1cccc(NC(=O)Oc2ccc(Cl)c3cccnc23)c1"	0	""	""	2	2	342201	""
"378135"	"378135"	"JUNCUSOL DERIV (COMPOUND 1)"	"COc1cc2CCc3ccccc3c2cc1C[N+](C)(C)CSc4ccccc4"	0	""	""	2	2	24200489	""
"378695"	"378695"	"6H-Pyrido[4,3-b]carbazolium, 11-[1-O-[(.alpha.-L- lyxofu..."	"Cc1c2cc[n+](C)cc2c(COC3OC(CO)C(O)C3O)c4c5ccccc5n(C)c14"	0	""	""	10	4	435657	""
"378727"	"378727"	"from cephalodiscus gilchristi"	"CC1[C@@H]2C[C@@H]3O[C@@]34[C@H]5CCC6Cc7nc8C[C@]9(C)C(CC[C@H]%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5(O)CC(=O)[C@@]24CO[C@]1%14OC(C)(C)CC%14O"	0	""	""	1	1	6711243	""
"378731"	"378731"	"from cephalodiscus gilchristi"	"C[C@@H]1[C@@H]2CC(O)c3c4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)c4cc(OC1%13OC(C)(C)C(C)C%13O)c23"	0	NA	NA	1	1	NA	""
"378732"	"378732"	"from cephalodiscus gilchristi"	"C[C@@H]1[C@@H]2CC(O)c3c4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)c4cc(OC1%13OC(C)(C)CC%13O)c23"	0	NA	NA	1	1	NA	""
"378734"	"378734"	"from cephalodiscus gilchristi"	"CC1[C@@H]2[C@H](O[C@]13CCC(C)(C)O3)C=C4C5CCC6Cc7nc8C[C@]9(C)C(CCC%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5C[C@H](O)[C@@]24CO"	0	""	""	4	4	6711246	""
"378735"	"378735"	"from cephalodiscus gilchristi"	"CC1[C@@H]2CC=C3C4CCC5Cc6nc7C[C@]8(C)C(CCC9C8C[C@H](O)[C@]%10(C)C9=C[C@H]%11O[C@@]%12(O[C@@](C)(CO)C[C@@H]%12O)C(C)[C@@]%10%11O)Cc7nc6C[C@@]5(C)C4CC(=O)[C@@]23CO[C@@]1(O)C(O)CC(C)(C)O"	0	""	""	1	1	6711247	""
"378736"	"378736"	"from cephalodiscus gilchristi"	"CC1[C@@]2(CCC(C)(C)O2)O[C@@H]3C=C4C5CCC6Cc7nc8C[C@]9(C)C(CCC%10C9C[C@H](O)[C@]%11(C)C%10=C[C@H]%12O[C@@]%13(O[C@@](C)(CO)C[C@@H]%13O)C(C)[C@@]%11%12O)Cc8nc7C[C@@]6(C)C5C[C@H](O)[C@@]4(C)[C@]13O"	0	NA	NA	5	5	NA	""
"378840"	"378840"	"Phytoene"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\C=C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)\C)\C)\C)C"	0	""	""	3	1	5280784	""
"378842"	"378842"	""	"[R]CC(CC([R])C(=O)OCC(O)C1OC2OC(C)(C)OC2C1OC(=O)CCN3C=C(F)C(=O)NC3=O)C(=O)N"	0	NA	NA	1	1	NA	""
"378881"	"378881"	"(E)-1-(3,4-Dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride"	"CC(CN(C)C)C(=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	14532213	""
"378896"	"378896"	""	"[R]CC(CC([R])C(=O)OCC(O)C1OC2OC(C)(C)OC2C1OC(=O)CCN3C=C(F)C(=O)NC3=O)C(=O)N"	0	NA	NA	1	1	NA	""
"378901"	"378901"	"4'-i-adriamycin"	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(I)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	24200508	"83943833"
"378978"	"378978"	"Sipholenone-A"	"CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(C)(C)[C@H]1CC[C@H]3[C@@](C)(O)CC[C@H]4OC(C)(C)C(=O)CC[C@]34C"	0	""	""	1	1	342375	"78518748"
"379398"	"379398"	"SIEZLKYPPOEGKM-UHFFFAOYSA-N"	"CC1=CC(=O)Oc2cc(OCC(=C)Br)ccc12"	0	""	""	1	1	342449	"72478672"
"379399"	"379399"	"STK716556"	"CC1=CC(=O)Oc2cc(OCc3c(F)cccc3Cl)ccc12"	0	""	""	1	1	342450	""
"379407"	"379407"	"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole"	"Cc1onc(c2c(F)cccc2Cl)c1c3oc(cn3)c4ccc(Cl)cc4"	0	""	""	1	1	342458	""
"379468"	"379468"	"Q27183878"	"Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cn1"	0	""	""	1	1	342499	""
"379507"	"379507"	""	"CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)CCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	1	1	NA	""
"379546"	"379546"	"5-(4-Tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide"	"CC(C)(C)c1ccc(cc1)c2nnc(SCc3ccc(Cl)cc3)n2c4cccc(c4)C(F)(F)F"	0	""	""	2	2	342553	""
"379651"	"379651"	"2-(Furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one"	"O=C1C=C(Nc2cc(nn12)c3occc3)c4ccccc4"	0	""	""	1	1	342597	""
"379687"	"379687"	"L-Proline, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,..."	"O=C(OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C6CCCN6)C5=O)C2C1=O)C7CCCN7"	0	""	""	2	1	54607962	""
"379867"	"379867"	"SC-89018"	"[O-][N+](=O)c1ccc2OC(=O)C(=Cc2c1)NC(=O)c3cccs3"	0	""	""	1	1	342620	""
"379880"	"379880"	"Q27183503"	"Cc1cc(Br)c(NC(=O)c2c(C)onc2c3c(Cl)cccc3Cl)c(Br)c1"	0	""	""	1	1	342632	""
"379965"	"379965"	"(2,3,8,9-Tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate"	"COc1cc2C(C)N(C)c3c(c(OC(=O)C)cc4cc(OC)c(OC)cc34)c2cc1OC"	0	""	""	2	1	5191582	"93772180"
"380212"	"380212"	"st-daae-1,4-(ii)"	"O=C1c2ccccc2C(=O)c3c(NCC4CO4)ccc(NCC5CO5)c13"	0	""	""	2	2	100214	"78146266"
"380271"	"380271"	"LHU96QSJ2E"	"O=C1SSc2ncccc12"	0	""	""	1	1	342690	"65282420"
"380482"	"380482"	""	"C[n+]1c(cn2ccsc12)c3ccc(\C=N\Nc4ccnc(N\N=C\c5ccc(cc5)c6cn7ccsc7[n+]6C)n4)cc3"	0	NA	NA	1	1	NA	""
"380721"	"380721"	"Eremantholide B"	"CCC(C)C1(O)OC2CC3(C)OC(=CC3=O)\C(=C/C4OC(=O)C1(C)C24)\C"	0	NA	NA	1	1	NA	"69883961"
"380725"	"380725"	"Pyrrolo[2,1-b]thiazole-6,7-dimethanol, 5-(3,4-dichloro p..."	"CNC(=O)OCc1c(COC(=O)NC)c(c2ccc(Cl)c(Cl)c2)n3CCSc13"	0	""	""	3	3	342837	""
"380803"	"380803"	"2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one"	"ON1C(=O)c2ccccc2N=C1c3ccc(Cl)cc3"	0	""	""	1	1	342897	"65772216"
"380804"	"380804"	"3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one"	"ON1C(=O)c2ccccc2N=C1c3cccc(c3)[N+](=O)[O-]"	0	""	""	2	1	342898	""
"380856"	"380856"	"ACRONYCINE, 2-NITRO"	"COc1cc2OC(C)(C)C(=Cc2c3N(C)c4ccccc4C(=O)c13)[N+](=O)[O-]"	0	""	""	2	2	342903	"7095423"
"381578"	"381578"	"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-..."	"COc1cc(cc(OC)c1OC)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	146631	""
"381586"	"381586"	"7,8-Dihydro-6-hydroxy-7-methyl-8-(3,4,5-trimethoxyphenyl..."	"COc1cc(cc(OC)c1OC)C2C(C)C(O)Oc3cc4OCOc4cc23"	0	""	""	2	2	146605	""
"381793"	"381793"	"N'-(3,4-Dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine"	"Clc1ccc(NCNC2Nc3ccccc3N2)cc1Cl"	0	""	""	1	1	343042	""
"381804"	"381804"	"2-(3,4-dichloro-2-isopropoxy-5-oxo-2,5-di-hydrofuran-2-y..."	"COC1=CC(=O)C(=CC1=O)C2(OC(C)C)OC(=O)C(=C2Cl)Cl"	0	""	""	1	1	343052	""
"381810"	"381810"	"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine"	"Np1(Oc2ccc(F)cc2)np(N)(Oc3ccc(F)cc3)np(Oc4ccc(F)cc4)(Oc5ccc(F)cc5)n1"	0	""	""	1	1	343057	""
"381811"	"381811"	"Poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-[[3- (5..."	"COCCOC(=O)CCN1C=C(F)C(=O)NC1=O"	0	NA	NA	2	2	NA	""
"381864"	"381864"	"PICEATANNOL, 4,3',5'-TRIMETHYL,1S0"	"COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1"	0	""	""	1	1	5385086	""
"381866"	"381866"	"bafilomycin deriv"	"COC1\C=C\C=C(/C)\CC(C)C(O)C(C)\C=C(/C)\C=C(/OC)\C(=O)OC1C(C)C(O)C(C)C2(O)CC(O)C(C)C(O2)C(C)C"	0	NA	NA	3	2	NA	"88899552"
"381867"	"381867"	"bafilomycin antibiotic"	""	0	NA	NA	4	2	NA	""
"382000"	"382000"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethy..."	"CN(C)CC(=C)C(=O)c1ccc(C)cc1C"	0	NA	NA	4	4	NA	""
"382001"	"382001"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,5-dimethy..."	"CN(C)CC(=C)C(=O)c1cc(C)ccc1C"	0	NA	NA	4	4	NA	""
"382002"	"382002"	"2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride"	"CN(C)CC(=C)C(=O)c1ccccc1C"	0	""	""	2	2	13958695	""
"382003"	"382003"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-methoxy p..."	"COc1ccccc1C(=O)C(=C)CN(C)C"	0	NA	NA	3	3	NA	""
"382005"	"382005"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4,5- trim..."	"COc1cc(OC)c(cc1OC)C(=O)C(=C)CN(C)C"	0	""	""	3	3	13958694	""
"382006"	"382006"	""	"CN(C)CC(=C)C(=O)c1ccc2OCOc2c1"	0	NA	NA	3	3	NA	""
"382007"	"382007"	"2-Propen-1-one, 1-(2-chlorophenyl)-2-[(dimethylamino) me..."	"CN(C)CC(=C)C(=O)c1ccccc1Cl"	0	""	""	2	2	5351333	""
"382011"	"382011"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hyd..."	"CN(C)CC(=C)C(=O)c1ccccc1"	0	""	""	3	3	3063374	""
"382028"	"382028"	"Maxima isoflavone D"	"COc1ccc(cc1OC)C2=COc3c4OCOc4ccc3C2=O"	0	""	""	1	1	343081	"94413088"
"382032"	"382032"	"2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine"	"CCc1nc(N)nc(N)c1c2ccc(N3CCOCC3)c(c2)N=[N+]=[N-]"	0	""	""	3	1	3292208	""
"382034"	"382034"	"2,4-Pyrimidinediamine, 6-ethyl-5-[4-(methylamino)- 3-nit..."	"CCc1nc(N)nc(N)c1c2ccc(NC)c(c2)[N+](=O)[O-]"	0	""	""	4	4	4602007	""
"382035"	"382035"	"2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl..."	"CCc1nc(N)nc(N)c1c2ccc(N(C)Cc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	72438	"118344711"
"382046"	"382046"	"ZWX6M6AF6L"	"CCc1nc(N)nc(N)c1c2ccc(Cc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	343093	""
"382049"	"382049"	"2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro- 4-[(2-phenyle..."	"CCc1nc(N)nc(N)c1c2ccc(NCCc3ccccc3)c(c2)[N+](=O)[O-]"	0	""	""	4	4	3795021	""
"382050"	"382050"	"M-Azidopyrimethamine"	"CCc1nc(N)nc(N)c1c2ccc(Cl)c(c2)N=[N+]=[N-]"	0	""	""	2	2	343097	""
"382053"	"382053"	"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine"	"CCc1nc(N)nc(N)c1c2ccc3c(c2)nnn3CCc4ccccc4"	0	""	""	4	4	343101	""
"382054"	"382054"	"1H-Benzotriazolium, 6-(2,4-diamino-6-ethyl-5-pyrimidinyl..."	"CCc1nc(N)nc(N)c1c2ccc3n[n+](c4ccccc4)n(O)c3c2"	0	""	""	4	4	135502406	""
"382103"	"382103"	"Gallicodazole"	"COC(=O)Nc1nc2c(OC)c(OC)c(OC)cc2[nH]1"	0	""	""	3	3	343115	""
"382337"	"382337"	"Cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid..."	"CC1=[N+]2NC(=S[Co]234(O[N+](=O)[O-])(S=C(N[N+]3=C(C)C5CCCCN45)N6CC7CCC(CC7)C6)N8CCCCC18)N9CC%10CCC(CC%10)C9"	0	NA	NA	1	1	NA	""
"382386"	"382386"	"2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5- di..."	"O=C1NC(C(=O)N1CCCCCCN2C(=O)NC(C2=O)(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	343242	""
"382459"	"382459"	"antineoplastic-382459"	"Cn1c(\C=C/CO)c(CO)c2C(=O)C(=CC(=O)c12)N3CC3"	0	NA	NA	2	2	NA	""
"382584"	"382584"	"3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol"	"[O-][N+](=O)c1ccccc1N\N=C\2/C(=O)Sc3ccccc23"	0	""	""	1	1	343248	""
"382585"	"382585"	"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone"	"CCC1=C(C)N(N=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C(=O)C"	0	""	""	2	2	343249	"90140504"
"382761"	"382761"	"3,4-Dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline"	"CC\C(=N/Nc1ccc(Cl)c(Cl)c1)\C=C\c2ccccc2"	0	""	""	1	1	6244313	""
"382767"	"382767"	"(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one"	"CC(C)(Br)C(=O)\C=C\c1ccccc1"	0	""	""	2	2	5944568	""
"382770"	"382770"	"(E)-4-Bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one"	"COc1ccc(\C=C\C(=O)C(C)(C)Br)cc1"	0	""	""	1	1	5798653	""
"382837"	"382837"	"4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 1..."	"CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)c4ccccc4"	0	""	""	1	1	343412	""
"382936"	"382936"	"2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one"	"Nc1nnc2N=C(C(=O)n12)C3(Cc4ccccc4C3=O)C5=Nc6nnc(N)n6C5=O"	0	""	""	2	1	135441703	""
"382988"	"382988"	"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol"	"CN(C)c1ccc(cc1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	343521	""
"383031"	"383031"	"Rutacridone epoxide"	"CN1c2ccccc2C(=O)c3c(O)cc4OC(Cc4c13)C5(C)CO5"	0	""	""	3	3	5281850	"77996033"
"383336"	"383336"	"1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-"	"Nc1[nH]c2ccc(Sc3ccccc3)cc2c1C#N"	0	""	""	3	2	146332	""
"383468"	"383468"	""	"CC1(CO)C(O)CCC2(C)C(C\C=C\3/C(O)COC3=O)C(=C)CCC12"	0	NA	NA	1	1	NA	""
"383482"	"383482"	"goniothalenol"	"OC1C2OC(=O)C=CC2OC1c3ccccc3"	0	NA	NA	6	2	NA	""
"400008"	"400008"	"ANTINEOPLASTIC-400008"	"Oc1ccc(cc1[N+](=O)[O-])[As](Br)c2ccc(O)c(c2)[N+](=O)[O-]"	0	""	""	2	2	343613	"7464666"
"400078"	"400078"	""	"[R][N+](=O)[O-].ClC1=C(N2CC2)C(=O)c3ccccc3C1=O"	0	NA	NA	1	1	NA	""
"400085"	"400085"	"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-"	"O=C1C=C(NC2=C1CCCC2)c3ccccc3"	0	""	""	1	1	343668	"83842175"
"400245"	"400245"	"Chimaphilin"	"CC1=CC(=O)c2ccc(C)cc2C1=O"	0	""	""	1	1	101211	"482702"
"400492"	"400492"	""	"CN(C)CCC(C#N)(c1ccccc1)c2ccccc2"	0	NA	NA	1	1	NA	"7475721"
"400529"	"400529"	"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol"	"CC1=C(C)Cc2c(O)ccc(O)c2C1"	0	""	""	1	1	343914	"7475969"
"400594"	"400594"	"(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron"	"CC[n+]1oc(C(=O)c2ccc(Cl)cc2)c(c3ccccc3)c1c4ccccc4.Cl[Fe](Cl)(Cl)Cl"	0	""	""	1	1	436246	""
"400607"	"400607"	"Phenazine, 2-chloro-, 5,10-dioxide"	"[O-][n+]1c2ccccc2[n+]([O-])c3cc(Cl)ccc13"	0	""	""	1	1	343972	"303797"
"400655"	"400655"	"N-[(Z)-(3-Ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline"	"CCOC1=C\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\CCC1"	0	""	""	1	1	5978780	"7467176"
"400717"	"400717"	"1H-1,4-Diazepine, 1-(p-bromo-.alpha.-phenylbenzyl)hexahy..."	"CN1CCCN(CC1)C(c2ccccc2)c3ccc(Br)cc3"	0	""	""	1	1	24200713	"7505682"
"400770"	"400770"	"Q27195907"	"Oc1ccc(cc1)c2ccc(cc2)C(=O)c3ccccc3"	0	""	""	2	2	344075	"5623461"
"400806"	"400806"	"1,3-Propanediamine, N,N'-bis(2-cyclohexylethyl)-N,N'-dim..."	"CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2"	0	""	""	2	2	24200736	""
"400905"	"400905"	"4-(Oxiran-2-yl)-2-phenylquinoline"	"C1OC1c2cc(nc3ccccc23)c4ccccc4"	0	""	""	1	1	344157	""
"400938"	"400938"	"Hit compound, 9"	"Cc1ccc(cc1)N=Nc2c(O)ccc3[nH]nnc23"	0	""	""	1	1	135441716	"7467289"
"400944"	"400944"	"5,6-Quinolinedione"	"O=C1C=Cc2ncccc2C1=O"	0	""	""	2	2	344174	"7467336"
"400978"	"400978"	"illudin m"	"CC1=C2[C@@H](O)C(C)(C)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	7	3	NA	"1146049"
"400979"	"400979"	"illudin s"	"CC1=C2[C@@H](O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C13CC3"	0	NA	NA	3	2	NA	"1149991"
"400995"	"400995"	"2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol"	"CCN(CC)CC(O)C1CCC(CC1)c2ccccc2"	0	""	""	1	1	344209	""
"401005"	"401005"	"Pleurotine"	"CC1COC2C3C4C(CCC14)CC5C3C(OC5=O)C6=C2C(=O)C=CC6=O"	0	NA	NA	2	1	NA	"1404235"
"401030"	"401030"	"pyreno[2,1-b]pyridine"	"c1cnc2cc3ccc4cccc5ccc(c2c1)c3c45"	0	""	""	1	1	344235	"189899"
"401044"	"401044"	"N-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide"	"O=C(CNS(=O)(=O)Cc1ccccc1)NNc2ccccc2"	0	""	""	2	2	344245	"7475185"
"401077"	"401077"	"2-Isoindolineacetic acid, .alpha.-(3-indolylmethyl)-1,3-..."	"OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)c4ccccc4C3=O"	0	""	""	1	1	344265	"32675711"
"401130"	"401130"	"1,2-Naphthoquinone, 3,7-dimethyl-"	"CC1=Cc2ccc(C)cc2C(=O)C1=O"	0	""	""	2	2	344295	"7475016"
"401166"	"401166"	"4-Phenyliminonaphthalen-1-one"	"O=C1C=C\C(=N\c2ccccc2)\c3ccccc13"	0	""	""	1	1	344314	"7512494"
"401210"	"401210"	"4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol"	"Oc1ccc(c2ccccc12)C(O)(c3ccccc3)c4ccccc4"	0	""	""	1	1	344348	""
"401268"	"401268"	"psoralen quinone"	"O=C1OC2=C(C=C1)C(=O)c3ccoc3C2=O"	0	""	""	2	2	68083	"483363"
"401288"	"401288"	"Isopimpinellin"	"COc1c2OC(=O)C=Cc2c(OC)c3ccoc13"	0	NA	NA	1	1	NA	"482279"
"401414"	"401414"	""	"C[N+]1(C)CCC(CC1)(C#N)c2ccccc2"	0	NA	NA	1	1	NA	"7476279"
"401575"	"401575"	"benzimidazole, 5,6-dichloro-1-.beta.-d-ribofuranosyl- (8ci)"	"OCC1OC(C(O)C1O)n2cnc3cc(Cl)c(Cl)cc23"	0	NA	NA	2	1	NA	"53850"
"401586"	"401586"	"Hexyl 2-amino-3-(4-methoxyphenyl)propanoate;hydrochloride"	"CCCCCCOC(=O)C(N)Cc1ccc(OC)cc1"	0	""	""	1	1	24200836	"7507611"
"401699"	"401699"	"Benzene, 1-(iodomethyl)-4-nitro- (9CI)"	"[O-][N+](=O)c1ccc(CI)cc1"	0	""	""	1	1	76598	"3145866"
"402083"	"402083"	"5-(Phenyldiazenyl)tropolone"	"OC1=CC=C(C=CC1=O)N=Nc2ccccc2"	0	""	""	1	1	344925	"3144556"
"402085"	"402085"	""	"OC1=CC=C(C=CC1=O)N=Nc2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"33244132"
"402099"	"402099"	""	"ClC1=CC=C(C=CC1=O)N=Nc2ccccc2"	0	NA	NA	1	1	NA	"19240654"
"402109"	"402109"	"2H,9H-Benzo[1,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,..."	"C(N1COc2c(C1)ccc3CN(Cc4ccccc4)COc23)c5ccccc5"	0	""	""	2	2	344936	""
"402209"	"402209"	"1(2H)-Naphthalenone, 2,2-dibromo-3,4-dihydro-"	"BrC1(Br)CCc2ccccc2C1=O"	0	""	""	2	2	345009	"51114706"
"402451"	"402451"	"quicifal"	"CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=C1O)O"	0	""	""	1	1	54676825	"137666"
"402471"	"402471"	"WLN:  T56 BN DSJ C1U1R DN1&1"	"CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1"	0	""	""	1	1	5378081	"1628586"
"402562"	"402562"	"bext (van)"	"CCOC(=S)SSSC(=S)OCC"	0	""	""	1	1	15815	"1851770"
"402590"	"402590"	"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol"	"Oc1ccc(N=Nc2ccc(Br)cc2)c(O)c1"	0	""	""	1	1	345174	"32919009"
"402717"	"402717"	"N-(3,5-Dibenzhydryl-2-methylphenyl)acetamide"	"CC(=O)Nc1cc(cc(C(c2ccccc2)c3ccccc3)c1C)C(c4ccccc4)c5ccccc5"	0	""	""	1	1	345248	""
"402867"	"402867"	"ANTINEOPLASTIC-402867"	"Cc1ccc(N)cc1\[As]=[As]\c2cc(N)ccc2C"	0	""	""	2	2	24201040	""
"402910"	"402910"	"Iodinin"	"Oc1cccc2c1[n+]([O-])c3cccc(O)c3[n+]2[O-]"	0	""	""	1	1	135441735	"68815"
"402959"	"402959"	"Phenazinium, 3-[(5,10-dihydro-7-iodo-5-phenyl-3-phenazin..."	"Ic1ccc2Nc3ccc(Nc4ccc5nc6ccc(I)cc6[n+](c7ccccc7)c5c4)cc3N(c8ccccc8)c2c1"	0	NA	NA	1	1	NA	""
"403144"	"403144"	"Colchicamid"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)N"	0	""	""	2	2	18397	"3123895"
"403148"	"403148"	"anthricin"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)Cc4cc5OCOc5cc24"	0	""	""	7	4	345501	"19186357"
"403163"	"403163"	"[8-Oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride"	"COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(OC(=O)C[n+]4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	24201072	""
"403169"	"403169"	"Acronine"	"COc1cc2OC(C)(C)C=Cc2c3N(C)c4ccccc4C(=O)c13"	0	""	""	1	1	345512	"7008426"
"403170"	"403170"	""	"[R]O.[R]OC.CC(=O)NC1CCc2ccccc2C3=CC=C(N)C(=O)C=C13"	0	NA	NA	5	4	NA	""
"403186"	"403186"	"STK521919"	"[O-][N+](=O)c1ccc(cc1)C(c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	""	""	1	1	345521	"7501919"
"403376"	"403376"	"2-(4-Isothiocyanatophenyl)sulfanylacetic acid"	"OC(=O)CSc1ccc(cc1)N=C=S"	0	""	""	1	1	345648	"7501986"
"403468"	"403468"	"HYXALBNMTPMXOQ-UHFFFAOYSA-N"	"COC(C(O)CO)C(O)C(O)C(=O)NNc1ccccc1"	0	""	""	1	1	345720	"7404333"
"403529"	"403529"	"Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylene..."	"COc1cc(cc(OC)c1OC)C(=O)c2cc3OCOc3cc2C"	0	""	""	2	2	345759	""
"403532"	"403532"	"Pinacyanol"	"CCN1\C(=C\C=C\c2ccc3ccccc3[n+]2CC)\C=Cc4ccccc14"	0	NA	NA	2	2	NA	"605914"
"403572"	"403572"	"p-Bromophenacyl benzoate"	"Brc1ccc(cc1)C(=O)COC(=O)c2ccccc2"	0	""	""	1	1	345792	"7506129"
"403734"	"403734"	"Acetic acid, (amidinothio)-"	"NC(=N)SCC(=O)O"	0	""	""	1	1	81899	"7404504"
"403801"	"403801"	"1-Bis(4-chlorophenoxy)phosphorylaziridine"	"Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)N3CC3)cc1"	0	""	""	1	1	345885	""
"403818"	"403818"	""	"O=C1SS\C(=N/c2ccccc2)\N1c3ccccc3"	0	NA	NA	1	1	NA	""
"403831"	"403831"	"9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride"	"COc1ccc2cc3c4cc5OCOc5cc4cc[n+]3cc2c1OC"	0	""	""	2	2	54607904	"55971023"
"403856"	"403856"	"Terpin (VAN)"	"CC(C)(O)C1CCC(C)(O)CC1"	0	NA	NA	1	1	NA	"80535"
"404027"	"404027"	"1,2-Dinitroso-1,2-dihydroacenaphthylene"	"O=NC1C(N=O)c2cccc3cccc1c23"	0	""	""	1	1	346024	""
"404186"	"404186"	"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate"	"CC12CCC(C1)C(C)(C)C2OC(=O)c3ccccc3N"	0	""	""	1	1	346130	""
"404241"	"404241"	"ara-a"	"Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O"	0	NA	NA	6	3	NA	"5536174"
"404687"	"404687"	"3-nitro-1,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene"	"[O-][N+](=O)c1ccc2nnnn2c1"	0	""	""	1	1	346452	"35235735"
"404895"	"404895"	"[2-[2-(2-Boronophenyl)ethynyl]phenyl]boronic acid"	"OB(O)c1ccccc1C#Cc2ccccc2B(O)O"	0	""	""	1	1	346619	""
"405029"	"405029"	"3,4-Dichloro-N'-phenylbenzohydrazide"	"Clc1ccc(cc1Cl)C(=O)NNc2ccccc2"	0	""	""	2	2	346727	"7497134"
"405157"	"405157"	"(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile"	"O\N=C\1/C=C\C(=C(/C#N)\c2ccccc2)\C=C1Cl"	0	""	""	1	1	54611238	"958678"
"405158"	"405158"	"2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, .alpha..."	"ON=C1C=CC(=C(C#N)c2ccc(Cl)cc2)C=C1"	0	""	""	1	1	346832	"958112"
"405159"	"405159"	"2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, 4-oxo-..."	"ON=C1C=CC(=C(C#N)c2ccccc2)C=C1"	0	""	""	2	2	346833	"888391"
"405166"	"405166"	"Cyto9E5"	"COc1ccc(cc1)C(=C2C=CC(=NO)C=C2)C#N"	0	""	""	1	1	346838	"3122392"
"405640"	"405640"	"wln: g-sn-gr&r"	"Cl[Sn](Cl)(c1ccccc1)c2ccccc2"	0	""	""	1	1	14342	"1135995"
"405646"	"405646"	""	"[R]Cl.[R]Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-].CC2CCCCC2"	0	NA	NA	1	1	NA	""
"405647"	"405647"	"scopoletin"	"COc1cc2C=CC(=O)Oc2cc1O"	0	""	""	7	2	5280460	"92615"
"405944"	"405944"	""	"OCC1OC(OCC(O)C(O)C(O)\C(=N\Nc2ccccc2)\C=N\Nc3ccccc3)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"4746183"
"405962"	"405962"	"Maybridge3_002827"	"O=C1Nc2ccccc2C1Cc3ccccc3"	0	""	""	1	1	347328	"7511082"
"406034"	"406034"	"chelidonine"	"CN1Cc2c3OCOc3ccc2[C@@H]4[C@H](O)Cc5cc6OCOc6cc5[C@H]14"	0	NA	NA	2	2	NA	"4312316"
"406042"	"406042"	"Allocolchicine"	"COC(=O)c1ccc2c(c1)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	""	10	5	347381	"641281"
"406159"	"406159"	"5-[(Z)-2-(2,4-Dinitrophenyl)ethenyl]-1,3-benzodioxole"	"[O-][N+](=O)c1ccc(\C=C\c2ccc3OCOc3c2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	54612568	""
"406352"	"406352"	"n,o-diacetyljervine"	"CC1CC2OC3(CCC4C5CC=C6CC(CCC6(C)C5C(=O)C4=C3C)OC(=O)C)C(C)C2N(C1)C(=O)C"	0	""	""	1	1	347578	"7622062"
"406472"	"406472"	"triton x"	"CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1"	0	NA	NA	1	1	NA	"9002931"
"406637"	"406637"	"(2Z)-2-[(4Z)-4-Hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile"	"COc1ccc(cc1)\C(=C\2/C=C\C(=N\O)\c3ccccc23)\C#N"	0	""	""	2	2	6514025	"741877"
"406666"	"406666"	"NLEOEXCPIKOHJB-UHFFFAOYSA-N"	"O=S(=O)(NNc1ccccc1)c2ccccc2"	0	""	""	1	1	347804	"6596696"
"407135"	"407135"	"tx-045816"	"Oc1ccc(cc1)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)cc5"	0	""	""	3	3	348092	"5627394"
"407260"	"407260"	"4-Oxo-2-phenyl-1H-quinoline-3-carbaldehyde"	"Oc1c(C=O)c(nc2ccccc12)c3ccccc3"	0	""	""	1	1	348143	"7509162"
"407286"	"407286"	"lagistase"	"Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34"	0	NA	NA	2	1	NA	"476664"
"407299"	"407299"	"SEMPERVIRINE, NITRATE, DIHYDRATE"	"O[N+](=O)O.C1CCc2c[n+]3ccc4c5ccccc5[nH]c4c3cc2C1"	0	NA	NA	1	1	NA	"17994159"
"407303"	"407303"	"cosmetin"	"OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"578745"
"407307"	"407307"	"FAUWOLSCINE, HYDROCHLORIDE"	"COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12"	0	NA	NA	1	1	NA	"6211321"
"407313"	"407313"	"cyclosan"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56"	0	NA	NA	1	1	NA	"548049"
"407335"	"407335"	"Neuro_000222"	"CC(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	5	4	348175	""
"407356"	"407356"	"4-[(E)-2-Benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline"	"CN(C)c1ccc(\C=C\c2ccnc3ccc4ccccc4c23)cc1"	0	""	""	1	1	5904653	"7498182"
"407396"	"407396"	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	"426799"
"407613"	"407613"	"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone"	"O=C1CC2C(CCc3ccccc23)c4ccccc14"	0	""	""	1	1	348345	"7496051"
"407806"	"407806"	"echujetin"	"C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"143624"
"407807"	"407807"	"gitoxigenin"	"C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H]([C@@H](O)C[C@]34O)C5=CC(=O)OC5"	0	NA	NA	2	2	NA	"545266"
"407809"	"407809"	"uzarin"	"CC12CCC(CC1CCC3C2CCC4(C)C(CCC34O)C5=CC(=O)OC5)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O"	0	""	""	2	2	348483	"20231816"
"407820"	"407820"	"(2-Amino-2-oxoethyl) N,N-dimethylcarbamodithioate"	"CN(C)C(=S)SCC(=O)N"	0	""	""	1	1	348488	"816751"
"407959"	"407959"	""	"Oc1ccc(O)c(CC=C)c1"	0	NA	NA	1	1	NA	"5721211"
"408050"	"408050"	""	"CC(C)OC(=O)NNc1cc(Cl)ccc1Cl"	0	NA	NA	1	1	NA	"6941919"
"408090"	"408090"	""	"Nc1nc(S)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1"	0	NA	NA	1	1	NA	"15867024"
"408120"	"408120"	"emodin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1"	0	NA	NA	2	1	NA	"518821"
"408169"	"408169"	""	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	"7621887"
"408170"	"408170"	"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;tin"	"[Sn+2].COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	54611128	"7596772"
"408171"	"408171"	"Zinc;2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	54607968	"7596103"
"408181"	"408181"	"ACM35283080"	"CCOC(=O)C#Cc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	348719	"35283080"
"408191"	"408191"	"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one"	"Cc1ccc2ccc3ccc4ccccc4c3c2c1.[O-][N+](=O)c5ccc6c(c5)C(=O)c7cc(cc(c67)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	348728	"17033680"
"408200"	"408200"	""	"Oc1ccccc1C(=O)NNC(=O)c2ccccc2O"	0	NA	NA	2	2	NA	"23647781"
"408383"	"408383"	"N-[7-(2,5-Dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccc2c(Cc3cc(ccc23)N4C(=O)C=CC4=O)c1"	0	""	""	2	2	348883	""
"408400"	"408400"	""	"CN(C)c1ccc(\C=C\c2ccnc3ccccc23)cc1N"	0	NA	NA	1	1	NA	"796576"
"408726"	"408726"	"2-Formamido-9-fluorenone"	"O=CNc1ccc2c3ccccc3C(=O)c2c1"	0	""	""	1	1	349152	""
"409304"	"409304"	"8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile"	"COc1ccc2c(c1)[n+]([O-])c3cc(ccc3[n+]2[O-])C#N"	0	""	""	1	1	349513	""
"409417"	"409417"	"LS-17699"	"CN(C)c1ccc2nc3ccc(cc3[o+]c2c1)N(C)C"	0	""	""	1	1	209687	"20161551"
"409663"	"409663"	"ERGOCRISTINE, DIHYDRO-"	"CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O"	0	""	""	1	1	3065	""
"409664"	"409664"	"berbamine"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6CN(C)Cc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	""	""	1	1	437172	""
"409749"	"409749"	""	"[O-][N+](=O)c1ccc(cc1)C2OC2C(=O)c3ccccc3"	0	NA	NA	1	1	NA	"5633363"
"409962"	"409962"	"Carmustine"	"ClCCNC(=O)N(CCCl)N=O"	0	"A7|AlkAg"	"FDA approved"	128	47	NA	"154938"
"510656"	"510656"	"Benzonitrile, 2-amino-3,5-dinitro- (9CI)"	"Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C#N"	0	""	""	1	1	89765	"22603538"
"512569"	"512569"	"WLN: T5O-SN-STJ B4 B4"	"CCCC[Sn]1(CCCC)OCCS1"	0	""	""	2	1	16683030	"27371955"
"516382"	"516382"	".beta.-Hydromuconamide"	"NC(=O)C\C=C\CC(=O)N"	0	NA	NA	1	1	NA	"29221236"
"519153"	"519153"	"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole"	"Cc1nc(Sc2nc3ccc(cc3s2)[N+](=O)[O-])sc1C"	0	""	""	1	1	351151	""
"520114"	"520114"	"STK347168"	"OC(=O)CNc1ccc(Cl)c(Cl)c1"	0	""	""	1	1	351250	"65051174"
"521586"	"521586"	"5-[(Z)-(Phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione"	"O=C1NC=C(\C=N\Nc2ccccc2)C(=O)N1"	0	""	""	1	1	135455281	"14859928"
"521777"	"521777"	"elatericin b"	"CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	NA	NA	9	3	NA	"2222073"
"522958"	"522958"	"4(3H)-Quinazolinone, 3-hydroxy-2-phenyl-"	"ON1C(=O)c2ccccc2N=C1c3ccccc3"	0	""	""	1	1	351739	"5319722"
"524442"	"524442"	"6-Methyl-2-aza-13-azoniapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3(8),4,6,9,11,14,16,18,20-decaene;iodide"	"Cc1ccc2c(ccc3c[n+]4c5ccccc5ccc4n23)c1"	0	""	""	1	1	24201701	"5485847"
"525040"	"525040"	"tecto"	"c1ccc2[nH]c(nc2c1)c3cscn3"	0	NA	NA	1	1	NA	"148798"
"525118"	"525118"	"ALBB-026253"	"[O-][N+](=O)c1cc(CCl)ccc1CCl"	0	""	""	2	2	352121	"16255508"
"525661"	"525661"	"Flammulin"	""	0	NA	NA	1	1	NA	""
"526333"	"526333"	"2,5-Cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-ox..."	"CC(=O)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1"	0	""	""	2	2	352429	"735488"
"526417"	"526417"	"ECHINOMYCIN"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C(C(C)C)N(C)C2=O)NC(=O)c3cnc4ccccc4n3)NC(=O)c5cnc6ccccc6n5"	0	NA	NA	31	6	NA	"512641"
"526598"	"526598"	"Mithramycin"	"[Mg+2].CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	"Db|Rs"	"FDA approved"	3	2	NA	"62345817"
"526645"	"526645"	"2'-deoxy-2'-fluorouridine"	"OCC1OC(C(F)C1O)N2C=CC(=O)NC2=O"	0	NA	NA	2	1	NA	"784714"
"526671"	"526671"	"2,5-Dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline"	"Clc1ccc(Cl)c(N\N=C\c2c[nH]c3ccccc23)c1"	0	""	""	1	1	135455348	"92428701"
"527017"	"527017"	"Amphotericin B"	"C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](OC3OC(C)C(O)C(N)C3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O"	0	""	"FDA approved"	5	2	NA	"1397893"
"527310"	"527310"	"[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate"	"Clc1ccc(CSC#N)cc1CSC#N"	0	""	""	2	2	352645	"93262830"
"527347"	"527347"	"Picolinealdehyde-2-quinolylhydrazone"	"N1\C(=N/N=C/c2ccccn2)\C=Cc3ccccc13"	0	NA	NA	2	1	NA	"7385991"
"528004"	"528004"	"leurosine sulfate"	"CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C[C@@H](C3)[C@H]1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)[C@H]8[C@](O)([C@H](OC(=O)C)[C@]9(CC)C=CCN%10CC[C@]78[C@H]9%10)C(=O)OC"	0	NA	NA	2	2	NA	"23360921"
"528399"	"528399"	"Spermidine hydrochloride"	"NCCCCNCCCN"	0	NA	NA	1	1	NA	"334509"
"529108"	"529108"	"4-Fluoro-D,L-tryptophan"	"NC(Cc1c[nH]c2cccc(F)c12)C(=O)O"	0	""	""	2	1	101198	"25631178"
"529180"	"529180"	"ara-fc"	"NC1=NC(=O)N(C=C1F)C2OC(CO)C(O)C2O"	0	NA	NA	2	2	NA	"4298106"
"529432"	"529432"	"2'-Deoxy-2'-fluorocytidine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2F"	0	NA	NA	2	2	NA	"10212201"
"529469"	"529469"	"alanosine"	"NC(CN(O)N=O)C(=O)O"	0	NA	NA	2	2	NA	"5854933"
"529861"	"529861"	"Chlorasquin"	"Nc1nc(N)c2c(Cl)c(CNc3ccc(cc3)C(=O)NC(CC(=O)O)C(=O)O)ccc2n1"	0	NA	NA	2	2	NA	"18921738"
"600018"	"600018"	"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate"	"CC(C)C(O)(C(C)O)C(=O)OCN1C(=O)C2C3C=CC(C4C3C5C4C(=O)N(COC(=O)C(O)(C(C)C)C(C)O)C5=O)C2C1=O"	0	""	""	1	1	353025	""
"600023"	"600023"	"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,..."	"COc1cc(cc(OC)c1OC)C2C(C)C(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	146610	""
"600032"	"600032"	"b8173373k297"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O"	0	""	""	10	4	5458993	""
"600060"	"600060"	"Hydrazinecarbodithioic acid, [(6-methyl-2-pyridinyl) eth..."	"CSC(=S)N\N=C(/C)\c1cccc(C)n1"	0	""	""	3	2	9574347	""
"600166"	"600166"	"Benzo[1,2-b:3,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,..."	"COC(=O)c1c(O)c2CCC(C)(C)Oc2c3CCC(C)(C)Oc13"	0	""	""	1	1	353071	""
"600167"	"600167"	"Diazene, hydroxy(5-phenyl-2-pyridinyl)-, sodium salt"	"[Na+].ON=Nc1ccc(cn1)c2ccccc2"	0	NA	NA	2	2	NA	""
"600220"	"600220"	"Benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-(4..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	6711254	""
"600221"	"600221"	".beta.-Phenylalanine, N-benzoyl-2-[[(2-carboxyethyl) car..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	54608019	""
"600222"	"600222"	"Benzenepropanoic acid"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)CCC(=O)O"	0	"TUBB"	""	2	2	6711255	""
"600223"	"600223"	"Benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-(4..."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](OC(=O)CCC(=O)O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)CCC(=O)O"	0	""	""	2	2	54608020	""
"600285"	"600285"	"6,7-Dihydroxy-4-methoxyisoflavan"	"COc1ccc(cc1)C2COc3cc(O)c(O)cc3C2"	0	""	""	6	4	156398	""
"600286"	"600286"	"6,7-Dihydroxy-4'-methylisoflavan"	"Cc1ccc(cc1)C2COc3cc(O)c(O)cc3C2"	0	""	""	6	5	353126	""
"600287"	"600287"	"6,7-Diacetoxy-4'-methoxyisoflavan"	"COc1ccc(cc1)C2COc3cc(OC(=O)C)c(OC(=O)C)cc3C2"	0	""	""	6	5	353127	""
"600288"	"600288"	"6,7-Diacetoxy-4'-methylisoflavan"	"CC(=O)Oc1cc2CC(COc2cc1OC(=O)C)c3ccc(C)cc3"	0	""	""	6	2	353128	""
"600289"	"600289"	"6,7-Diacetoxyisoflavan"	"CC(=O)Oc1cc2CC(COc2cc1OC(=O)C)c3ccccc3"	0	""	""	6	4	353129	""
"600290"	"600290"	"4',6,7-Triacetoxyisoflavan"	"CC(=O)Oc1ccc(cc1)C2COc3cc(OC(=O)C)c(OC(=O)C)cc3C2"	0	""	""	6	2	353130	""
"600291"	"600291"	"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan"	"COc1ccc(cc1OC)C2COc3c(C2)ccc(O)c3C"	0	""	""	6	2	353131	""
"600292"	"600292"	"3-Pyridinecarboxamide, 6-(hydroxyazo)-, sodium salt"	"[Na+].NC(=O)c1ccc(N=NO)nc1"	0	NA	NA	2	1	NA	""
"600301"	"600301"	""	"[Cl-][Pt+4]([Cl-])([Cl-])([Cl-])(NC[Si](C)(C)C)NC[Si](C)(C)C"	0	NA	NA	1	1	NA	""
"600391"	"600391"	"Antibiotic 2-79-A(5)"	""	0	NA	NA	2	2	NA	""
"600392"	"600392"	"Antibiotic mixture B-1625 FA2 & FA3"	""	0	NA	NA	2	2	NA	""
"600472"	"600472"	"Picodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc[nH]3"	0	NA	NA	2	2	NA	""
"600473"	"600473"	"2H-1,3,5-Thiadiazino[3,2-a]benzimidazol-2,4(3H)-dithione..."	"CN1C(=S)Sc2nc3ccccc3n2C1=S"	0	""	""	1	1	353156	""
"600586"	"600586"	"candidine"	"O=C1N2C(=Nc3ccccc13)\C(=C\4/Nc5ccccc5C4=O)\c6ccccc26"	0	""	""	2	1	5320815	""
"600681"	"600681"	"(6Ar)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid"	"CCCCCn1cc2C[C@@H]3C(C=C(C)CN3C)c4cccc1c24.Cc5ccc(cc5)C(=O)OC(C(OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O"	0	""	""	6	2	353191	""
"600684"	"600684"	"2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide"	"CC(C)c1ccc2N=C3C=CC(=CN3C(=O)c2c1)C(=O)NCCN4CCN(CC4)c5ccccc5"	0	""	""	1	1	353192	""
"600758"	"600758"	"9-[(5-Nitro-2-pyridyl)sulfanyl]acridine"	"[O-][N+](=O)c1ccc(Sc2c3ccccc3nc4ccccc24)nc1"	0	""	""	2	2	353206	""
"600759"	"600759"	"Diazene, hydroxy[5-[(2-naphthalenyl)thio]-2-pyridinyl]-,..."	"[Na+].ON=Nc1ccc(Sc2ccc3ccccc3c2)cn1"	0	NA	NA	1	1	NA	""
"600768"	"600768"	"ChemDivAM_001114"	"Cc1ccc2N=C(CC(=O)Nc2c1)c3ccccc3"	0	""	""	1	1	353213	""
"600882"	"600882"	"1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-"	"CN(C)c1ccc(cc1)\N=C(/C)\c2ccccc2"	0	""	""	1	1	353259	""
"601098"	"601098"	"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1ccc(cc1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	2	1	146591	""
"601100"	"601100"	"7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1cccc(c1)C2CC(C)(O)Oc3cc4OCOc4cc23"	0	""	""	1	1	146671	""
"601101"	"601101"	"2-[2-[(E)-2-(1,2-Benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride"	"CCN(CC)CCOc1ccccc1\C=C\c2noc3ccccc23"	0	""	""	1	1	5351338	""
"601346"	"601346"	".alpha.-Cyclodextrin, compd. with hydroxy(2-pyridinyl) d..."	"[Na+].OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC1C(O)C2O.ON=Nc8ccccn8"	0	NA	NA	2	1	NA	""
"601347"	"601347"	"dimethyl-4-oxo-1,2,3,4-tetrahydroquinazoline  2,2-diyl-d..."	"COC(=O)NC1(NC(=O)OC)NC(=O)c2ccccc2N1"	0	""	""	1	1	353373	""
"601348"	"601348"	"Methyl 4-hydroxy-2-quinazolinylcarbamate"	"COC(=O)NC1=NC(=O)c2ccccc2N1"	0	""	""	1	1	135429915	""
"601351"	"601351"	"rsu 1165"	"C[C@H]1[C@H](C)N1CC(O)Cn2ccnc2[N+](=O)[O-]"	0	NA	NA	2	1	NA	"105027789"
"601353"	"601353"	"Isoalantolactone"	"C[C@]12CCCC(=C)C1CC3C(C2)OC(=O)C3=C"	0	NA	NA	1	1	NA	""
"601359"	"601359"	"N-(4-Bromonaphthalen-1-yl)-1-hydroxy-2-naphthamide"	"Oc1c(ccc2ccccc12)C(=O)Nc3ccc(Br)c4ccccc34"	0	""	""	1	1	353380	""
"601361"	"601361"	"D,L-Buthionine Sulfoxide"	"CCCCS(=O)CCC(N)C(=O)O"	0	""	""	1	1	353382	""
"601363"	"601363"	"5-Chloro-4-hydrazinoquinazoline"	"NNc1ncnc2cccc(Cl)c12"	0	""	""	1	1	353384	""
"601364"	"601364"	"Ferene"	"OS(=O)(=O)c1oc(cc1)c2nnc(nc2c3oc(cc3)S(=O)(=O)O)c4ccccn4"	0	NA	NA	1	1	NA	"79551147"
"601422"	"601422"	"quinocarcin monocitrate"	"COc1cccc2C[C@@H]3C4[C@H](CC([C@@H]5OC[C@@H](N35)c12)N4C)C(=O)O"	0	""	""	7	2	353396	""
"601518"	"601518"	"9-[(6-Nitro-3-pyridyl)sulfanyl]acridine"	"[O-][N+](=O)c1ccc(Sc2c3ccccc3nc4ccccc24)cn1"	0	""	""	2	2	353415	""
"601679"	"601679"	"Ilmofosine"	"CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)OCC[N+](C)(C)C"	0	""	""	2	2	55008	""
"601811"	"601811"	"Benzyl N-(trimethylsilylmethyl)carbamate"	"C[Si](C)(C)CNC(=O)OCc1ccccc1"	0	""	""	1	1	353436	""
"601851"	"601851"	"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate"	"COC(=O)NC1=NNC(=O)c2ccccc2N1"	0	""	""	2	1	353471	""
"601852"	"601852"	"Veracoquinazole"	"COC(=O)NC1=NC(=O)c2cc(OC)c(OC)cc2N1"	0	""	""	1	1	135416663	""
"601853"	"601853"	"Gallibiscoquinazole"	"COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1"	0	""	""	1	1	353472	""
"601854"	"601854"	"Verabiscoquinazole"	"COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)cc2N1"	0	""	""	1	1	353473	""
"601980"	"601980"	"(E)-3-Methyl-2-(2-phenylhydrazono)-1,2-dihydroquinoxaline"	"CC1=Nc2ccccc2N/C/1=N/Nc3ccccc3"	0	NA	NA	4	4	NA	"91757469"
"601994"	"601994"	"N-[(E)-(6-Methylchromen-4-ylidene)amino]aniline"	"Cc1ccc2OC=C\C(=N/Nc3ccccc3)\c2c1"	0	""	""	1	1	5838964	""
"602022"	"602022"	"1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidin..."	"Fc1cccc(F)c1C(=O)NC(=O)Nc2cccc(Oc3ncc(Cl)cn3)c2"	0	""	""	6	2	353513	""
"602066"	"602066"	"1-Penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)..."	"CCN(CC)CC(C)(C)C(=O)\C=C\c1ccc(\C=C\C(=O)C(C)(C)CN(CC)CC)cc1"	0	NA	NA	2	2	NA	""
"602069"	"602069"	"3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol"	"[O-][N+](=O)c1cccnc1N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	4418979	""
"602077"	"602077"	""	"OP(=O)(O)CC(=O)NC(CC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"602130"	"602130"	"13-Desoxyphomenone"	"C[C@H]1C(O)CCC2=CC(=O)C3(OC3[C@]12C)C(=C)C"	0	""	""	1	1	353550	""
"602132"	"602132"	"N,N-Dimethyl-1-(1H-perimidin-2-yl)methanamine"	"CN(C)CC1=Nc2cccc3cccc(N1)c23"	0	""	""	1	1	353551	""
"602313"	"602313"	"2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-"	"CCc1nc(N)nc(N)c1c2ccc(c(Cl)c2)[N+](=O)[O-]"	0	""	""	4	4	353606	""
"602340"	"602340"	"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol"	"COc1cccc(C2CC(C)(O)Oc3cc4OCOc4cc23)c1O"	0	""	""	2	2	146661	""
"602610"	"602610"	"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-"	"Cc1nc2C(=O)C3=C(C4CCC3C=C4)C(=O)c2nc1C"	0	""	""	2	2	353637	""
"602613"	"602613"	"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione"	"O=C1C2C3CC(C=C3)C2C(=O)c4ncccc14"	0	""	""	1	1	353640	""
"602617"	"602617"	"Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-"	"Cc1nc2C(=O)c3ccccc3C(=O)c2nc1C"	0	""	""	5	5	353644	""
"602670"	"602670"	"timazid"	"CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O"	0	""	"FDA approved"	12	1	NA	"30516871"
"602849"	"602849"	"2,9-Bis(chloromethyl)-1,10-phenanthroline"	"ClCc1ccc2ccc3ccc(CCl)nc3c2n1"	0	""	""	2	1	353740	""
"602850"	"602850"	"2,9-Bis(bromomethyl)-1,10-phenanthroline"	"BrCc1ccc2ccc3ccc(CBr)nc3c2n1"	0	""	""	2	2	353741	""
"602881"	"602881"	"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate"	"COC(=O)C1(F)C(O)NC(=O)NC1=O"	0	""	""	2	1	353769	""
"602891"	"602891"	"1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium"	"CCn1ncc2c1nc(c[n+]2[O-])c3ccccc3"	0	""	""	1	1	494317	""
"602949"	"602949"	""	"[R]N(CCCl)CCCl.NC1(CCc2ccccc2C1)C(=O)O"	0	NA	NA	1	1	NA	""
"603071"	"603071"	"Aminocamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	"TOP1"	""	7	5	72402	"91421431"
"603072"	"603072"	"12-Nitro-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cccc(c5nc34)[N+](=O)[O-])C2=O"	0	NA	NA	1	1	NA	""
"603073"	"603073"	"12-Amino-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cccc(N)c5nc34)C2=O"	0	NA	NA	1	1	NA	""
"603074"	"603074"	"9-Nitro-10-methoxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(c(OC)ccc5nc34)[N+](=O)[O-])C2=O"	0	"TOP1"	""	2	2	NA	""
"603075"	"603075"	"9-Amino-10-methoxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)c(OC)ccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"603076"	"603076"	"9-Nitro-10-hydroxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(c(O)ccc5nc34)[N+](=O)[O-])C2=O"	0	"TOP1"	""	2	2	NA	""
"603077"	"603077"	"9-Acetamido-10-hydroxy-20-(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	""	2	2	NA	""
"603084"	"603084"	"2-Butene, 2,3-dibromo-1,4-bis[(3,4-dichloro-2,5-dihydro-..."	"ClC1=C(Cl)C(=O)OC1OC\C(=C(/Br)\COC2OC(=O)C(=C2Cl)Cl)\Br"	0	""	""	3	3	3005840	""
"603086"	"603086"	"2-Butene, 2,3-dibromo-1,4-bis[(3,4-dichloro-2,5-dihydro-..."	"ClC1=C(Cl)C(=O)OC1OC\C(=C(\Br)/COC2OC(=O)C(=C2Cl)Cl)\Br"	0	NA	NA	2	2	NA	""
"603098"	"603098"	"N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine"	"Cc1ccc(cn1)c2ccc(Nc3c4ccccc4nc5ccccc35)cc2"	0	""	""	1	1	353840	""
"603108"	"603108"	"Clanfenur (INN)"	"CN(C)c1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2"	0	""	""	2	2	68684	""
"603335"	"603335"	"2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-"	"OCC1OC(C(O)C1O)N2C=CC(=C(Cl)C2=O)O"	0	""	""	4	4	54716343	""
"603534"	"603534"	"Diazene, hydroxy[5-(phenylsulfinyl)-2-pyridinyl]-, sodiu..."	"[Na+].ON=Nc1ccc(cn1)S(=O)c2ccccc2"	0	NA	NA	2	1	NA	""
"603553"	"603553"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-methoxy p..."	"COc1ccc(cc1)C(=O)C(=C)CN(C)C"	0	NA	NA	4	4	NA	""
"603555"	"603555"	"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-phenoxy p..."	"CN(C)CC(=C)C(=O)c1ccc(Oc2ccccc2)cc1"	0	NA	NA	4	4	NA	""
"603577"	"603577"	"Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (..."	"[Cl-][Pt+2]1([Cl-])NC[Si](C)(C)CN1"	0	""	""	1	1	498227	""
"603578"	"603578"	"Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](C)(C)CN1"	0	NA	NA	3	3	NA	""
"603624"	"603624"	"NCIMech_000418"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2=NC(C)(C)N(C(=N2)N)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	353973	""
"603661"	"603661"	"Methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate"	"COC(=O)C1(CCC(C1)[C@H](C(C)[N+](=O)[O-])c2ccccc2)N3CCOCC3"	0	""	""	1	1	353993	""
"603719"	"603719"	"NCIMech_000107"	"Oc1ccc2NC(=O)Oc2c1"	0	""	""	1	1	157167	""
"603831"	"603831"	"kusaginin"	"CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)\C=C\c4ccc(O)c(O)c4)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"61276173"
"603974"	"603974"	"EH00008"	"ClC1=NSN=C(Cl)C1=O"	0	""	""	2	2	354026	""
"603976"	"603976"	"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol"	"OCCN1CCN(CC1)C2Cc3ccc(F)cc3Sc4ccc(cc24)[N+](=O)[O-]"	0	""	""	1	1	354028	""
"603977"	"603977"	"7H-Thieno[2,3-c]thiopyran-4-one"	"O=C1CSCc2sccc12"	0	""	""	1	1	354029	""
"603989"	"603989"	"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-B]phenazine"	"CC1(C)N=C2C=C3N(c4ccc(Cl)cc4)c5ccccc5N=C3C=C2N1c6ccc(Cl)cc6"	0	""	""	1	1	354039	""
"604294"	"604294"	""	"CCN(CC)CCN(C)CC(C)(C)C(=O)\C=C\c1ccccc1"	0	NA	NA	1	1	NA	""
"604558"	"604558"	"[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride"	"CN(C)c1ccc2nc3c(cc(NCCCNc4cc5[o+]c6cc(ccc6nc5c7ccccc47)N(C)C)c8ccccc38)[o+]c2c1"	0	""	""	2	2	354083	"63617549"
"604574"	"604574"	"2-(4-iodobenzyl)ellipticine, hydrochloride"	"Cc1c2cc[n+](Cc3ccc(I)cc3)cc2c(C)c4c5ccccc5[nH]c14"	0	""	""	6	5	354096	""
"604586"	"604586"	"2-Butenamide, N-(4-chlorophenyl)-4,4,4-trichloro-"	"Clc1ccc(NC(=O)\C=C\C(Cl)(Cl)Cl)cc1"	0	""	""	2	2	5927763	""
"604869"	"604869"	"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione"	"[O-][N+](=O)c1c2OCOc2cc3C(=O)c4ccccc4C(=O)c13"	0	""	""	1	1	354141	""
"604976"	"604976"	"Baccharinoid B4"	"CC(O)C1CCCCC(=O)O[C@@H]2C[C@H]3OC4C=C(C)[C@H](O)CC4(COC(=O)C5OC5(C)C(O)CO1)[C@]2(C)[C@@]36CO6"	0	NA	NA	2	2	NA	""
"604979"	"604979"	"2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone"	"NC1=NC(=C(Br)C(=O)N1)c2cccc(c2)[N+](=O)[O-]"	0	""	""	3	1	135415735	""
"605099"	"605099"	"B676297K277 3',4'-Deoxypsorospermin 3',4'-chlorohydrin"	"COc1cc2OC(Cc2c3Oc4c(O)cccc4C(=O)c13)C(C)(O)CCl"	0	""	""	2	2	354175	""
"605100"	"605100"	"B676297K152 3',4'-Deoxypsorospermin"	"COc1cc2OC(Cc2c3Oc4c(O)cccc4C(=O)c13)C(=C)C"	0	""	""	1	1	354176	""
"605440"	"605440"	"Isothiazolo[2,3-a]azepine, 5,7-bis(trifluoromethyl)- 2,3..."	"FC(F)(F)C1=CN2C(=CC(=C1)C(F)(F)F)CCS2(=O)=O"	0	""	""	4	4	354292	""
"605471"	"605471"	"[3,4-Dibenzoyloxy-5-(3-cyano-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate"	"O=C(OCC1OC(C(OC(=O)c2ccccc2)C1OC(=O)c3ccccc3)n4nc(C#N)c5C(=O)NC=Nc45)c6ccccc6"	0	""	""	1	1	135429918	""
"605583"	"605583"	"miltefosin c"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	NA	NA	5	3	NA	""
"605607"	"605607"	""	"[Na+].ON=Nc1nc(nc2ccccc12)c3ccccn3"	0	NA	NA	1	1	NA	""
"605756"	"605756"	"Proflavine HCl"	"Nc1ccc2cc3ccc(N)cc3nc2c1"	0	""	""	1	1	197873	""
"605762"	"605762"	"ChemDiv1_019776"	"CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(c1)C(C)(C)CC"	0	""	""	1	1	122566	""
"605763"	"605763"	"N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide"	"CCCC(=O)Nc1cc(c(cc1OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	354341	""
"606092"	"606092"	"1,2-cyclohexanediamine, platinum complex"	"NC1C(=O)[O-][Pt+2]2(NC3CCCCC3N2)[O-]C1=O"	0	""	""	1	1	24201925	""
"606170"	"606170"	"Zalcitabine"	"NC1=NC(=O)N(C=C1)C2CCC(CO)O2"	0	"Ds"	"FDA approved"	11	2	NA	"7481892"
"606171"	"606171"	"sn-3-dihexadecyl-phosphatidylcholine"	"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC"	0	""	""	2	1	118294	""
"606172"	"606172"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccc(C=O)cc5nc34)C2=O"	0	"TOP1"	""	4	4	184077	""
"606173"	"606173"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccc(CO)cc5nc34)C2=O"	0	"TOP1"	""	2	2	354395	""
"606174"	"606174"	"10,11-Methylenedioxy-20(RS)-camptothecin"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	""	""	6	2	366358	""
"606194"	"606194"	"Annonacin"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O"	0	""	""	7	3	354398	""
"606195"	"606195"	"from marine animal dolabella auricularia"	"CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)NC(=O)[C@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O"	0	""	""	4	3	354399	""
"606295"	"606295"	""	"C1CN=C(NNc2ccccc2)N1"	0	NA	NA	1	1	NA	""
"606307"	"606307"	"Curromycin A.B mixture"	"CNC1C(=O)C(C)C(O)(C(CC(C)C(O)\C=C\C=C\CNC(=O)C(C)(C)C(O)\C(=C\C=C/C=C/Cc2oc(C)nc2)\C)OC)C13C(C)OC3=O.CNC4C(=O)C(C)C(O)(C(CC(C)C(O)\C=C\C=C\CNC(=O)C(C)(C)C(O)\C(=C\C=C/C=C/Cc5oc(C)nc5)\C)OC)C46C(COC)OC6=O"	0	NA	NA	2	2	NA	""
"606397"	"606397"	"urdamycin a"	"CC1OC(CCC1O)OC23C(=O)CC(C)(O)CC2(O)C=CC4=C3C(=O)c5ccc(C6CC(OC7CCC(OC8CC(O)C(O)C(C)O8)C(C)O7)C(O)C(C)O6)c(O)c5C4=O"	0	""	""	1	1	340932	"98474216"
"606398"	"606398"	"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride"	"CCCCCCCCCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N"	0	""	""	2	2	354440	""
"606488"	"606488"	"Tris(2-cyanoethyl)phosphine gold 2,3,4,6 tetra-O- acetyl..."	"CC(=O)OCC1OC([SeH3-][Au+]P(CCC#N)(CCC#N)CCC#N)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	1	6330648	""
"606497"	"606497"	"Camptothecin Derivative"	"CCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	489614	""
"606498"	"606498"	"Camptothecin Derivative"	"CCCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	1	1	NA	""
"606499"	"606499"	"Camptothecin Derivative"	"CCCCNCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	""
"606538"	"606538"	""	"CN(C)CCN(C)CCC(=O)\C=C\c1ccccc1"	0	NA	NA	2	2	NA	""
"606566"	"606566"	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile"	"CC1=CC2=C(C#N)C(=O)OC2(C)C(C1)c3ccccc3"	0	""	""	1	1	354550	""
"606567"	"606567"	"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide"	"CC1=CC2=C(C(=O)N)C(=O)OC2(C)C(C1)c3ccccc3"	0	""	""	1	1	354551	""
"606698"	"606698"	"Rapamycin"	"COC1CC(CC(C)C2CC(=O)C(C)\C=C(/C)\C(OC(=O)CN(C)C)C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(\C)/C(CC3CCC(C)[C@](O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O"	0	"PK:STK,MTOR"	"FDA approved"	2	2	NA	""
"606699"	"606699"	"Rapamycin prodrug, Mono-(28)-N,N-diethylpropionate-, hyd..."	"CCN(CC)CCC(=O)OC1C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(\C)/C(CC2CCC(C)[C@](O)(O2)C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C)\C=C\1/C)C(C)CC4CCC(O)C(C4)OC)OC"	0	NA	NA	2	2	NA	""
"606869"	"606869"	"Clofarabine"	"Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3F"	0	"Ds"	"FDA approved"	3	3	354624	"123318821"
"606985"	"606985"	"Camptothecin Derivative"	"CCC1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	6	5	NA	""
"606986"	"606986"	"Camptothecin Derivative"	"[Cl-].CCC1(OC(=O)CNC)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	""
"607088"	"607088"	""	"[ClH-][Mn+2]12O=C(N[N+]1=Cc3cc(Br)ccc3[O-]2)c4ccccc4"	0	NA	NA	2	2	NA	""
"607097"	"607097"	"7-Cyanoquinocarcinol"	"COc1cccc2CC3C4C(CC(C(C#N)N3C(CO)c12)N4C)C(=O)O"	0	NA	NA	9	6	NA	"96251591"
"607173"	"607173"	"hymenialdisine"	"NC1=NC(=O)\C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)\N1"	0	NA	NA	2	2	NA	""
"607281"	"607281"	""	"Cc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(C)cc3)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	2	1	NA	""
"607301"	"607301"	"L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl) methy..."	"Nc1nc(N)c2nc(CNc3ccc(cc3F)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	""	""	2	2	354767	""
"607320"	"607320"	"GCFLTOLIWWOBOI-UHFFFAOYSA-N"	"CC(=O)C(=Cc1ccc(C=C(C(=O)C)C(=O)C)cc1)C(=O)C"	0	""	""	3	2	354777	""
"607347"	"607347"	"Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-"	"Fc1ccc(SC(CCl)CCl)cc1"	0	""	""	2	2	354778	""
"607568"	"607568"	"2-Furancarboxaldehyde, 5-nitro-, (5-hydroxy-6-methyl- 1,..."	"Cc1nnc(N\N=C\c2oc(cc2)[N+](=O)[O-])nc1O"	0	""	""	2	1	135455470	""
"607740"	"607740"	""	"[O-][N+](=O)\C=C\c1cc2ccc3ccccc3c2[nH]1"	0	NA	NA	2	2	NA	""
"607759"	"607759"	"Linolenic acid methyl ester"	"CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC"	0	""	""	2	1	5319706	""
"607993"	"607993"	"2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol"	"COc1ccc(cc1)c2onc(c2)c3cc(C)cc(Br)c3O"	0	""	""	1	1	355054	""
"608003"	"608003"	"L-Phenylalanine, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahy..."	"NC(Cc1ccccc1)C(=O)OCN2C(=O)C3C4C=CC(C5C4C6C5C(=O)N(COC(=O)C(N)Cc7ccccc7)C6=O)C3C2=O.OCC(O)C(O)C(O)C(O)C(=O)O.[Na]Cl"	0	NA	NA	1	1	NA	""
"608068"	"608068"	"CBMicro_024229"	"Oc1ccc2C=C(C(=O)Oc2c1)c3oc4ccccc4n3"	0	""	""	1	1	135455478	""
"608069"	"608069"	"2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-"	"Oc1ccc2C(=C(C(=O)Oc2c1)c3nc4ccccc4s3)C#N"	0	""	""	1	1	135455479	""
"608210"	"608210"	"Vinorelbine"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.O[C@H]([C@@H](O)C(=O)O)C(=O)O"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	25136944	"125317397"
"608329"	"608329"	"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone"	"CCNCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNCC)ccc3C(=O)c2c1"	0	""	""	1	1	355146	""
"608462"	"608462"	"dichloro-bis(4-fluorophenyl)[?]"	"Fc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(F)cc3)[n+]4ccccc4c5cccc[n+]25"	0	""	""	1	1	494335	""
"608463"	"608463"	"Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(tri..."	"FC(F)(F)c1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(cc3)C(F)(F)F)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	""	""	1	1	498233	""
"608465"	"608465"	""	"Fc1cc[c-](cc1)[Sn+4]2([ClH-])([ClH-])([c-]3ccc(F)cc3)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	1	1	NA	""
"608776"	"608776"	"4H-1-Benzopyran-4-one, 2,3-dihydro-7,8-dimethoxy- 3-[(di..."	"[Cl-].COc1ccc2C(=O)C(CN(C)C)COc2c1OC"	0	NA	NA	2	2	NA	""
"608832"	"608832"	"Taxol derivative"	"CN(C)CCCNC(=O)CCCC(=O)OC(C(NC(=O)c1ccccc1)c2ccccc2)C(=O)O[C@H]3C[C@@]4(O)C(OC(=O)c5ccccc5)C6C7(COC7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	"TUBB"	""	6	6	NA	""
"608858"	"608858"	"2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate"	"CC(C)NC(=O)OCCS(=O)c1c(Cl)c(Cl)nn1C"	0	""	""	1	1	355403	""
"608970"	"608970"	""	"OC(=O)C(Cl)(Cl)Cl.[O-]C(=O)C(Cl)(Cl)Cl.C12=C3[CH-]4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10"	0	NA	NA	1	1	NA	""
"608972"	"608972"	"Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron"	"[ClH-][Fe+3]([ClH-])([ClH-])[O-2][Fe+3]([ClH-])([ClH-])[ClH-].C12=C3[CH-]4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10"	0	""	""	1	1	498236	""
"608974"	"608974"	"Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron"	"[O-]C(=O)CC[C-]12C3=C4C5=C1[Fe+3]23456789C%10=C6[CH-]7C8=C9%10.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	""	""	1	1	498239	""
"608979"	"608979"	""	"CC1#[N+][Ti+4]123456789([ClH-])(C%10=C2[CH-]3C4=C5%10)C%11=C6[CH-]7C8=C9%11.[ClH-][Fe+3]([ClH-])([ClH-])[ClH-]"	0	NA	NA	1	1	NA	""
"608984"	"608984"	"Leucinostatine D"	""	0	""	""	2	2	5459065	"39405646"
"609077"	"609077"	""	"COc1ccc(cc1)C(OCC2OC(C(O)C2O)N3C=CC(=NC3=O)NC(=O)c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"609259"	"609259"	"2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one"	"COc1c(CCl)cc(cc1CCl)C2=CC(=O)c3ccccc3S2"	0	""	""	2	2	355507	""
"609356"	"609356"	"1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole"	"CC(=O)On1c(nc2ccccc12)c3ccccc3c4nc5ccccc5n4OC(=O)C"	0	""	""	1	1	355531	""
"609394"	"609394"	"homohalichondrin b"	"CC1C[C@@]2(CC(C)[C@@H]3O[C@@]4(CC5OC6C(CC5O4)O[C@H]7C[C@H]8OC(CC[C@@H]9OC(CC[C@@]%10%11CC%12O[C@@H]%13C(O[C@H]%14CC[C@H](CC(=O)OC7C6C)OC%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15CC%16OC(CC%16O[C@@H]1%15)C(O)CO"	0	""	""	5	3	6711269	""
"609395"	"609395"	"HALICHONDRIN B"	"CC1C[C@@]2(CC(C)[C@@H]3O[C@@]4(CC5OC6C(CC5O4)O[C@H]7C[C@H]8OC(CC[C@@H]9OC(CC[C@@]%10%11CC%12O[C@@H]%13C(O[C@H]%14CC[C@H](CC(=O)OC7C6C)OC%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H](O[C@@H]1%15)C(O)CC(O)CO"	0	"TUBB"	""	12	3	NA	""
"609397"	"609397"	"from combretum caffrum plant"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	4	4	NA	""
"609694"	"609694"	"bis(3-chloropropyl)disulfide"	"ClCCCSSCCCCl"	0	""	""	2	2	355642	""
"609695"	"609695"	"Disulfoxide, bis(3-chloropropyl)"	"ClCCCSS(=O)(=O)CCCCl"	0	""	""	3	2	355643	""
"609699"	"609699"	"Topotecan"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	20	19	NA	"119413546"
"609700"	"609700"	"Asimicin"	"CCCCCCCCCCC(O)[C@H]1CCC(O1)C2CC[C@@H](O2)[C@H](O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	2	2	6711271	""
"609815"	"609815"	"2-Benzoylaminobenzamide, N-thiazol-2-yl-"	"O=C(Nc1ccccc1C(=O)Nc2nccs2)c3ccccc3"	0	""	""	1	1	355710	""
"609821"	"609821"	"Herbasterol"	"CC(C)CCCC(C)[C@H]1CCC(C2C[C@@H](O)[C@@H]3CC(O)[C@@H](O)C[C@]3(CO)C2=O)[C@]1(C)CCO"	0	""	""	2	1	355716	""
"609964"	"609964"	""	"O=C1\C(=C\c2ccccc2)\CNC/C/1=C\c3ccccc3"	0	NA	NA	2	2	NA	""
"610173"	"610173"	"5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one"	"COC1=C(Oc2c(OC)cc(OC)c(O)c2C1=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	355799	""
"610187"	"610187"	"ERBSTATIN"	"Oc1ccc(O)c(\C=C\NC=O)c1"	0	NA	NA	3	2	NA	"100827289"
"610188"	"610188"	""	"COc1ccc(OC)c(\C=C\[N+](=O)[O-])c1"	0	NA	NA	3	2	NA	""
"610190"	"610190"	"6H-Pyrido[4,3-b]carbazole, 5-hydroxymethyl-11-methyl-, N..."	"CNC(=O)OCc1c2ccncc2c(C)c3c4ccccc4[nH]c13"	0	""	""	2	2	130066	""
"610456"	"610456"	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)CCC(=O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	NA	""
"610457"	"610457"	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)C(N)CCCCN)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	4	4	NA	""
"610458"	"610458"	"Camptothecin Derivative"	"CC[C@@]1(OP(=O)(O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	5459073	""
"610459"	"610459"	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)C(N)CCC(=O)O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	""
"610507"	"610507"	"EN300-04882"	"Cc1cc(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	355876	""
"610686"	"610686"	"3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile"	"CSC1=NN(CCC#N)C(=O)N=C1SC"	0	""	""	1	1	355930	""
"610744"	"610744"	"Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-"	"[O-][N+](=O)c1ccc(cc1)c2cn(cn2)c3ccc(Cl)cc3"	0	""	""	1	1	355940	""
"610782"	"610782"	"1-Methylchromeno[2,3-b]pyridine-2,5-dione"	"CN1C(=O)C=CC2=C1Oc3ccccc3C2=O"	0	""	""	1	1	355947	""
"610898"	"610898"	""	"C[n+]1c(\C=C\c2ccc(\C=N\NC(=O)c3ccc(cc3)C(=O)N\N=C\c4ccc(\C=C\c5cn6ccccc6[n+]5C)cc4)cc2)cn7ccccc17"	0	NA	NA	1	1	NA	""
"610930"	"610930"	"2,8-bis(2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyld..."	"CC1=C(Nc2c(C)cc(O)cc2O)C(=O)C=C3OC4=CC(=O)C(=C(C)C4=C13)Nc5c(C)cc(O)cc5O"	0	""	""	1	1	72685	"1400620"
"610938"	"610938"	""	"[Na+].OC(=O)C1=C\C(=C(/c2ccccc2)\c3cc(C(=O)O)c(O)c4ccccc34)\c5ccccc5C1=O"	0	NA	NA	1	1	NA	""
"610965"	"610965"	"2-Chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide"	"ClCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCl)ccc3C(=O)c2c1"	0	""	""	1	1	355988	""
"610970"	"610970"	"Raptinal;NSC 610970"	"O=CC1(c2ccccc2c3ccccc13)C4(C=O)c5ccccc5c6ccccc46"	0	""	""	3	1	355994	""
"611228"	"611228"	"1,2-Hydroxy-3-naphthoic acid"	"OC(=O)c1cc2ccccc2c(O)c1O"	0	""	""	2	2	356138	""
"611261"	"611261"	"(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate"	"CN1C(=O)C2(C3CC4C(CO3)C5C2C4(COC(=O)C)CN5C#N)c6ccccc16"	0	""	""	1	1	356178	""
"611266"	"611266"	"(1R,9R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol"	"COc1ccc2C[C@H]3N(C)CC[C@@]4(CCCC=C34)c2c1O"	0	""	""	1	1	6711279	""
"611267"	"611267"	"2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate"	"CCOc1cc(CC[N+](C)(C)C)c2c(ccc3ccc(OC)c(OC)c23)c1OC"	0	""	""	1	1	24201960	""
"611372"	"611372"	"4-Amino-1,2-dihydrobenz(cd)indol-2-one"	"Nc1cc2C(=O)Nc3cccc(c1)c23"	0	""	""	1	1	356218	""
"611377"	"611377"	"Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate"	"CCOC(=O)C1CN(C)c2cc3CN(C(=O)C)c4cccc(c2C1)c34"	0	""	""	1	1	356223	""
"611388"	"611388"	"Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate"	"CCOC(=O)C(C#N)C1=CC(=O)C(=O)c2ccc(OC)cc12"	0	""	""	1	1	356235	""
"611701"	"611701"	"3-Hydroxy-1,10-dimethylacridin-9-one"	"CN1c2ccccc2C(=O)c3c(C)cc(O)cc13"	0	""	""	1	1	5386484	""
"611747"	"611747"	"Calyculin A"	"COCC([C@@H](O)C(O)C(=O)NCC[C@@H](C)c1occ(\C=C\CC2OC3(C[C@H](O)C2C)OC(C(C[C@@H](O)C(C)[C@@H](O)C(C)\C=C(/C)\C(=C\C=C\C(=C\C#N)\C)\C)OC)[C@@H](OP(=O)(O)O)C3(C)C)n1)N(C)C"	0	NA	NA	1	1	NA	""
"611750"	"611750"	"3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol"	"COc1cc(C(O)CCBr)c(OC)cc1C"	0	""	""	2	2	356336	""
"612115"	"612115"	"COLCHICINE ANALOG"	"CCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)OC"	0	""	""	7	5	356433	""
"612116"	"612116"	"colchicine analog"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC(=O)C)c(OC(=O)C)c(OC)c23)NC(=O)C"	0	""	""	5	4	356434	""
"612223"	"612223"	"3-(2-Quinolyl)-6-(3,4,5-trimethoxyphenyl)pyridine-2,4-diol"	"COc1cc(cc(OC)c1OC)c2cc(O)c(c(O)n2)c3ccc4ccccc4n3"	0	""	""	4	3	135429924	""
"612789"	"612789"	"Acrovestone"	"COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(=O)C)c2O)c(O)c1C(=O)C"	0	""	""	2	2	159969	""
"612828"	"612828"	"(1R,2R,7S)-3,6-Dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde"	"O=C[C@]12CC=C3OC4OC5(CCCCC5)OC4[C@H]3[C@H]1C(=O)C=CC2=O"	0	""	""	1	1	356542	""
"612941"	"612941"	"1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide"	"CC(=O)c1ccc2c(c1)c3c(C)c4c[n+](C)ccc4c(C)c3n2C"	0	""	""	2	2	356564	""
"612955"	"612955"	"1,5-Dihydroxy-1,5-di(pyridin-3-yl)pentan-3-one"	"OC(CC(=O)CC(O)c1cccnc1)c2cccnc2"	0	NA	NA	2	2	NA	""
"612975"	"612975"	"[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone"	"COc1ccc(OC)c(c1)C(=O)c2cccc(n2)C(=O)c3cc(OC)ccc3OC"	0	""	""	1	1	356573	""
"613001"	"613001"	"N-[9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	""	""	1	1	356578	""
"613002"	"613002"	"O-[5-(6-Benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate"	"CSC(=S)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	""	""	4	2	356579	""
"613004"	"613004"	""	"CC(C)(C)[Si](C)(C)OCC1CCC(O1)n2cnc3c(NC(=O)c4ccccc4)ncnc23"	0	NA	NA	1	1	NA	""
"613009"	"613009"	"Jaspamide"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)NC(C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@H](CC(=O)O1)c4ccc(O)cc4"	0	NA	NA	7	2	NA	"102396247"
"613011"	"613011"	"Latrunculin A"	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	445420	"76343936"
"613012"	"613012"	"Bengamide A"	"CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)C(O)C(O)C(O)\C=C\C(C)C)C(=O)NC1"	0	""	""	5	4	5386504	"104947684"
"613056"	"613056"	"2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol"	"CSc1nc(SC)c2c(C)cn(C3OC(C)C(O)C(O)C3O)c2n1"	0	""	""	1	1	356592	""
"613238"	"613238"	"Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine"	"CN(C)C(n1cc2CN=C(c3ccccc3F)c4cc(Cl)ccc4c2c1)n5cc6CN=C(c7ccccc7F)c8cc(Cl)ccc8c6c5"	0	""	""	1	1	356626	""
"613244"	"613244"	"Urdamycin A, pentaacetate"	"[R]C(=O)C.CC1OC(CCC1OC2CC(OC(=O)C)C(OC(=O)C)C(C)O2)OC3CC(OC(C)C3OC(=O)C)c4ccc5C(=O)C6=C(C=C[C@@]7(O)C[C@](C)(O)CC(=O)[C@@]67OC8CCC(OC(=O)C)C(C)O8)C(=O)c5c4O"	0	""	""	2	2	5459094	"104542485"
"613327"	"613327"	"Gemcitabine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F"	0	"Ds"	"FDA approved"	10	9	60750	"122111039"
"613467"	"613467"	"Formamide, N-[2-(3-hydroxyphenyl)ethene-1-yl]-, (E)-"	"Oc1cccc(\C=C\NC=O)c1"	0	""	""	5	2	5386517	""
"613493"	"613493"	"1-[3-[2,4-Dimethyl-5-(methylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoyl]-5-fluoropyrimidine-2,4-dione"	"CNC1=C(C)C(=O)C(=C(C1=O)C(C)(C)CC(=O)N2C=C(F)C(=O)NC2=O)C"	0	""	""	2	2	356667	""
"613575"	"613575"	"CDPI-trimer methyl ester"	"COC(=O)c1cc2c3CCN(C(=O)c4cc5c6CCN(C(=O)c7cc8c9CCN(C(=O)N)c9ccc8[nH]7)c6ccc5[nH]4)c3ccc2[nH]1"	0	""	""	2	2	356692	""
"613662"	"613662"	"N-[4-[4-(Acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine"	"N(c1ccc(Oc2ccc(Nc3c4ccccc4nc5ccccc35)cc2)cc1)c6c7ccccc7nc8ccccc68"	0	""	""	3	2	356733	""
"613668"	"613668"	""	"Cc1ncc(CO)c2C=[N+]3NC(=S[Cu+2]3([ClH-])[O-]c12)N"	0	NA	NA	2	1	NA	""
"613678"	"613678"	""	""	0	NA	NA	1	1	NA	""
"613690"	"613690"	"7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide"	"C(OC1=CC=CN2C[n+]3cccc(OCc4ccccc4)c3N=C12)c5ccccc5"	0	""	""	1	1	356739	""
"613729"	"613729"	"Combretastatin A4"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	13	6	NA	"117048596"
"613752"	"613752"	"3-Methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol"	"COc1ccc(\C=C/c2cc(OC)c3OCOc3c2)c(O)c1O"	0	""	""	2	2	5386543	""
"613777"	"613777"	"3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	5386558	""
"613799"	"613799"	"20(S)-Camptothecin-21-lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"614049"	"614049"	"1-Phenazinol, 7,8-bis[(4-morpholinyl)methyl]-, 5,10- dio..."	"Oc1cccc2c1[n+]([O-])c3cc(CN4CCOCC4)c(CN5CCOCC5)cc3[n+]2[O-]"	0	""	""	2	2	135455540	""
"614050"	"614050"	"1-Phenazinol, 7,8-bis(bromomethyl)-, 5,10-dioxide"	"Oc1cccc2c1[n+]([O-])c3cc(CBr)c(CBr)cc3[n+]2[O-]"	0	""	""	2	2	135435456	""
"614314"	"614314"	"N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide"	"O=C(Cc1ccc(OCc2ccccc2)cc1)NCc3ccc4OCOc4c3"	0	""	""	1	1	356825	""
"614339"	"614339"	""	"C[N+]1(C)C[C@@H]2[C@@H](C1)P(c3ccccc3)(c4ccccc4)[Rh+]567(C8=C5CCC6=C7CC8)P2(c9ccccc9)c%10ccccc%10"	0	NA	NA	2	1	NA	""
"614383"	"614383"	"Crc 86-05"	"CCCCCCCCCCCCCCCCCCOCC1(COP(=O)(O)OCC[N+](C)(C)C)CCCO1"	0	""	""	1	1	130724	""
"614491"	"614491"	"8-CHLORO-CYCLICAMP"	"Nc1ncnc2c1nc(Cl)n2C3OC4COP(=O)(O)OC4C3O"	0	NA	NA	2	2	NA	""
"614495"	"614495"	"B723735K022"	"O\N=C(/Cc1ccc(O)c(Br)c1)\C(=O)NCCSSCCNC(=O)\C(=N\O)\Cc2ccc(O)c(Br)c2"	0	NA	NA	2	2	NA	""
"614496"	"614496"	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)[C@H]2C3[C@@H](COC3=O)Cc4cc5OCOc5cc24"	0	""	""	2	2	356942	""
"614539"	"614539"	"1-(2-Aminophenyl)-3-(1H-indol-3-yl)propan-1-one"	"Nc1ccccc1C(=O)CCc2c[nH]c3ccccc23"	0	""	""	1	1	356984	""
"614552"	"614552"	"CASTANOSPERMINE"	"O[C@H]1CCN2CC(O)[C@@H](O)C(O)[C@@H]12"	0	NA	NA	10	1	NA	""
"614554"	"614554"	"Ajoene, trans-"	"C=CCSS\C=C\CS(=O)CC=C"	0	""	""	2	2	5386591	""
"614566"	"614566"	"2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide"	"CC1=C(NC(=O)CCl)C(=O)Oc2c(C)c3OC=CC(=O)c3cc12"	0	""	""	1	1	356997	""
"614633"	"614633"	"2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride"	"Oc1cccc2c1[n+]([O-])c3cc4CN(CCN5CCOCC5)Cc4cc3[n+]2[O-]"	0	""	""	1	1	135455545	""
"614642"	"614642"	"IRISQUINONE"	"CCCCCC\C=C/CCCCCCCCCC1=CC(=O)C=C(OC)C1=O"	0	NA	NA	1	1	NA	""
"614643"	"614643"	""	"CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)C(O)(CC)c3ccc(Cl)cc3)C12"	0	NA	NA	2	1	NA	""
"614644"	"614644"	""	"CCC(O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)C12)c4ccc(Cl)cc4"	0	NA	NA	2	1	NA	""
"614795"	"614795"	"Mimdtc"	"CSC(=S)N\N=C\c1nccc2ccccc12"	0	""	""	2	2	9554742	""
"614802"	"614802"	"Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate"	"CSC1=S[Pt+2]2([ClH-])([ClH-])[N+](=Cc3c4ccccc4cc[n+]23)N1"	0	""	""	2	1	9578810	""
"614826"	"614826"	"Bisacodyl, active ingredient of Viraplex"	"CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3"	0	"NonCan:Cath"	"FDA approved"	6	6	NA	""
"614887"	"614887"	"Platinum, (1,2-cyclohexanediamine-N,N')bis (4-morpholine..."	"O=S(=O)(CCCN1CCOCC1)[O-][Pt+2]2(NC3CCCCC3N2)[O-]S(=O)(=O)CCCN4CCOCC4"	0	""	""	2	2	24201983	""
"614925"	"614925"	"Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium"	"CC(C)(C)[O+]1[O-][V+4]123(=O)[O-]c4ccc(Cl)cc4C=[N+]2c5ccc(Cl)cc5[O-]3"	0	""	""	1	1	6711291	""
"615035"	"615035"	"pdtpt"	"Cc1nc(sc1C)[n+]2nc(nn2c3ccccc3)c4ccncc4"	0	""	""	1	1	357140	""
"615258"	"615258"	"B817373K389 from Combetum caffrum"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC"	0	""	""	2	2	5386627	""
"615291"	"615291"	"bizelesin"	"Cc1c[nH]c2c(O)cc3N(C[C@@H](CCl)c3c12)C(=O)c4cc5cc(NC(=O)Nc6ccc7[nH]c(cc7c6)C(=O)N8C[C@@H](CCl)c9c8cc(O)c%10[nH]cc(C)c9%10)ccc5[nH]4"	0	""	""	7	2	60794	"129655216"
"615296"	"615296"	"Haloperidol"	"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3"	0	""	"FDA approved"	1	1	NA	""
"615376"	"615376"	"2-[(E)-(Benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)"	"Clc1cc(Cl)c2[O-][Co+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7)O=C(N[N+]5=Cc2c1)c8ccccc8"	0	""	""	1	1	9569757	""
"615441"	"615441"	"1H-Dibenz[de,h]isoquinoline-1,3-dione, 2,2'- [(1,2-ethan..."	"O=C1N(CCCNCCNCCCN2C(=O)c3cccc4cc5ccccc5c(C2=O)c34)C(=O)c6c7ccccc7cc8cccc1c68"	0	""	""	2	2	357254	""
"615443"	"615443"	"2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione"	"CN(CCN1C(=O)c2cc(cc3cc(cc(C1=O)c23)[N+](=O)[O-])[N+](=O)[O-])CCN4C(=O)c5cc(cc6cc(cc(C4=O)c56)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	357257	""
"615484"	"615484"	"Bullatacin"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCC[C@H](O)CC3=CC(C)OC3=O"	0	""	""	4	2	5459105	""
"615534"	"615534"	"1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one"	"CN1c2ccc(cc2C(=O)c3c(O)cc(O)cc13)[N+](=O)[O-]"	0	""	""	1	1	5386678	""
"615537"	"615537"	""	"[Cl-][Pt+]([Cl-])([Sn](Cl)(Cl)Cl)[Sn](Cl)(Cl)Cl"	0	NA	NA	2	1	NA	""
"615538"	"615538"	"antineoplastic-615538"	"Cl[Sn](Cl)(Cl)[Pt]([ClH-])(C#O)[Sn](Cl)(Cl)Cl.c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	3	2	NA	""
"615539"	"615539"	""	"CC[N+](CC)(CC)CC.Cl[Sn](Cl)(Cl)[Pt]([ClH-])(C#O)[Sn](Cl)(Cl)Cl"	0	NA	NA	1	1	NA	""
"615542"	"615542"	"Carbon monoxide;platinum;trichlorotin;triphenylphosphanium"	"Cl[Sn](Cl)(Cl)[Pt](C#O)(P(c1ccccc1)(c2ccccc2)c3ccccc3)(P(c4ccccc4)(c5ccccc5)c6ccccc6)[Sn](Cl)(Cl)Cl"	0	""	""	1	1	6392756	""
"615552"	"615552"	"STK680281"	"O=C(c1ccccc1)c2ccc3n[se]nc3c2"	0	""	""	1	1	357318	""
"615578"	"615578"	"6-(4-Methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione"	"Cc1ccc(cc1)N2C(=O)C3CSCN3C2=O"	0	""	""	2	1	357328	""
"615580"	"615580"	"Cycleanine plus mixture of other alkaloids"	"COc1cc2CCN(C)C3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)C(Cc7ccc(Oc(c1OC)c23)cc7)c56)cc4"	0	""	""	1	1	357329	""
"615590"	"615590"	"Platinum, (1,2-cyclohexanediamine-N,N') bis[4-(2-hydroxy..."	"OCCN1CCN(CCCS(=O)(=O)[O-][Pt+2]2(NC3CCCCC3N2)[O-]S(=O)(=O)CCCN4CCN(CCO)CC4)CC1"	0	""	""	2	2	24201990	""
"615592"	"615592"	"Platinum, (1,2-cyclohexanediamine-N,N')bis[2-[(3-bromo- ..."	"Oc1ccc(cc1Br)\C(=C/2\C=CC(=O)C(=C2)Br)\c3ccccc3S(=O)(=O)[O-][Pt+2]4(NC5CCCCC5N4)[O-]S(=O)(=O)c6ccccc6\C(=C\7/C=CC(=O)C(=C7)Br)\c8ccc(O)c(Br)c8"	0	""	""	1	1	24201992	""
"615604"	"615604"	"4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione"	"CCCCC1(C2c3ccccc3Oc4ccccc24)C(=O)N(N(C1=O)c5ccccc5)c6ccccc6"	0	""	""	2	2	357337	""
"615606"	"615606"	"5-Methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole"	"COc1ccc2[nH]cc(\C=C(\C)/c3ccncc3)c2c1"	0	""	""	2	2	5386680	""
"615791"	"615791"	"N-[2-(Dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1c2ccccc2cc3ccccc13"	0	""	""	1	1	357356	""
"615794"	"615794"	"STK807039"	"COC(CN1C(=O)c2cccc3cccc(C1=O)c23)OC"	0	""	""	1	1	357360	""
"615796"	"615796"	"2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile"	"[O-][N+](=O)c1cc2C(=O)N(CC#N)C(=O)c3cccc(c1)c23"	0	""	""	1	1	357362	""
"615797"	"615797"	"Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate"	"CCOC(=O)CN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-]"	0	""	""	1	1	357363	""
"615798"	"615798"	"2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile"	"[O-][N+](=O)c1cc2C(=O)N(CC#N)C(=O)c3cc(cc(c1)c23)[N+](=O)[O-]"	0	""	""	2	1	357364	""
"615799"	"615799"	"1H-Benz[de]isoquinoline-2(3H)-acetic acid, 5,8-dinitro- ..."	"CCOC(=O)CN1C(=O)c2cc(cc3cc(cc(C1=O)c23)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	5	5	357365	""
"615801"	"615801"	"8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid"	"CN(C)CCN(C)C(=O)c1cccc2cccc(C(=O)O)c12"	0	""	""	1	1	357368	""
"615802"	"615802"	"2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride"	"CN(CCCN1C(=O)c2cccc3cc(cc(C1=O)c23)[N+](=O)[O-])CCN(C)CCCN4C(=O)c5cccc6cc(cc(C4=O)c56)[N+](=O)[O-]"	0	""	""	1	1	357369	""
"615803"	"615803"	"1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2- ethane..."	"[O-][N+](=O)c1cc2C(=O)N(CCCNCCNCCCN3C(=O)c4cc(cc5cc(cc(C3=O)c45)[N+](=O)[O-])[N+](=O)[O-])C(=O)c6cc(cc(c1)c26)[N+](=O)[O-]"	0	NA	NA	3	2	NA	""
"615804"	"615804"	"ANTINEOPLASTIC-615804"	"[O-][N+](=O)c1cc2C(=O)N(CCNCCNCCNCCN3C(=O)c4cccc5cc(cc(C3=O)c45)[N+](=O)[O-])C(=O)c6cccc(c1)c26"	0	NA	NA	2	1	NA	""
"615806"	"615806"	""	"CN(C)CCNC(=O)c1cccc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"615985"	"615985"	"Uniroyal Compound-38"	"CC(C)OC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1Cl"	0	""	""	11	2	1385	""
"616232"	"616232"	"Dibromodulcitol"	"OC(CBr)C(O)C(O)C(O)CBr"	0	NA	NA	2	2	NA	""
"616241"	"616241"	"antineoplastic-616241"	"CCC1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"616271"	"616271"	""	"IC[P+]1(CCCC1)c2ccccc2"	0	NA	NA	1	1	NA	""
"616273"	"616273"	"4-Tert-Butyl-1-phenyl-cyclohexanol"	"CC(C)(C)C1CCC(O)(CC1)c2ccccc2.CC(C)(C)[C@@H]3CC[C@](O)(CC3)c4ccccc4"	0	""	""	1	1	357449	""
"616348"	"616348"	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	9	7	NA	"100286906"
"616355"	"616355"	"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine"	"CC(C)(C)[Si](C)(C)OCC1CCC(O1)n2cnc3c(N)ncnc23"	0	""	""	1	1	357470	""
"616356"	"616356"	"9H-Purin-6-amine, 9-[[5-[(1,1-dimethylethyl)dimethylsily..."	"CC(C)(C)[Si](C)(C)OCC1OC(C=C1)n2cnc3c(N)ncnc23"	0	""	""	3	1	357471	""
"616357"	"616357"	"4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(=S)OC12)n3cnc4c(N)ncnc34"	0	""	""	1	1	357472	""
"616358"	"616358"	"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1OS(=O)(=O)C)n2cnc3c(N)ncnc23"	0	""	""	1	1	357473	""
"616359"	"616359"	"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione"	"COC(=S)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	""	""	1	1	357474	""
"616362"	"616362"	"2-Methoxycarbonyl-3,4-dichloro-5-nitrofuran"	"COC(=O)c1oc(c(Cl)c1Cl)[N+](=O)[O-]"	0	""	""	3	2	147711	""
"616511"	"616511"	"[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol"	"CSc1nc(SC)c2c(CO)c(Br)n(Cc3ccccc3)c2n1"	0	""	""	1	1	357482	""
"616950"	"616950"	""	"O=C1CN2Cc3cc(ccc3N=C2N1)N4CCOCC4"	0	NA	NA	1	1	NA	""
"616960"	"616960"	"ranunculin (8ci)"	"OCC1OC(OC[C@H]2OC(=O)C=C2)C(O)C(O)C1O"	0	NA	NA	2	2	NA	""
"617007"	"617007"	"3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid"	"COc1cccc(NC(=O)CC(=O)N2NC(C(N=Nc3cccc(c3)C(=O)O)C2=O)c4ccccc4)c1"	0	""	""	1	1	357543	""
"617011"	"617011"	"N-(4-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide"	"Clc1ccc(NC(=O)CC(=O)N2N=C(CC2c3ccccc3)N4c5ccccc5Sc6ccccc46)cc1"	0	""	""	1	1	357547	""
"617012"	"617012"	"N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide"	"COc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc2nc(cs2)c3ccccc3"	0	""	""	1	1	357548	""
"617043"	"617043"	"1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate"	"Cc1ccc(C[P+]2(CCCCC2)c3ccccc3)cc1"	0	""	""	1	1	24202004	""
"617047"	"617047"	"1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide"	"CC1CCC[P+](Cc2ccccc2)(CC1)c3ccccc3"	0	""	""	1	1	357562	""
"617076"	"617076"	"Free base of NSC 610966"	"CNCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC)ccc3C(=O)c2c1"	0	""	""	1	1	355990	""
"617128"	"617128"	"Cis-7,9-diphenyl-3-methylene-1,8-dioxaspirodecan-2-one"	"C=C1CC2(C[C@H](O[C@H](C2)c3ccccc3)c4ccccc4)OC1=O"	0	""	""	3	3	357605	""
"617129"	"617129"	"7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	"Clc1ccccc1C2CC3(CC(O2)c4ccccc4Cl)CC(=C)C(=O)O3"	0	""	""	4	2	357606	""
"617130"	"617130"	"7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one"	"COc1ccccc1C2CC3(CC(O2)c4ccccc4OC)CC(=C)C(=O)O3"	0	""	""	3	3	357607	""
"617131"	"617131"	"3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one"	"Cc1ccccc1C2CC3(CC(O2)c4ccccc4C)CC(=C)C(=O)O3"	0	""	""	3	3	357608	""
"617140"	"617140"	"[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene"	"FC(F)(F)C1(Br)C(=C1c2ccccc2)c3ccccc3"	0	""	""	1	1	357616	""
"617145"	"617145"	"(2,2-Dimethyl)-1,3-propandiyl-bis(2,3-dichloro)maleimide"	"CC(C)(CN1C(=O)C(=C(Cl)C1=O)Cl)CN2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	3	3	357621	""
"617156"	"617156"	"6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid"	"CC(C)(C)c1cc(C(=O)O)c2c(c1)C(=O)OC2(c3ccccc3)c4ccccc4C(=O)O"	0	""	""	2	1	357632	""
"617157"	"617157"	"5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid"	"CC(C)(C)c1cc(C(=O)O)c(C(c2ccccc2)c3ccccc3C(=O)O)c(c1)C(=O)O"	0	""	""	1	1	357633	""
"617158"	"617158"	"4H,12H-Dibenzo[cd,mn]pyrene-4,12-dione, 2-(1,1-dimethyle..."	"CC(C)(C)c1cc2C(=O)c3cccc4c(O)c5cccc6C(=O)c(c1)c2c(c56)c34"	0	""	""	1	1	357634	""
"617189"	"617189"	"Cyclopentaneethanol, 3-[1-(2-aminophenyl)ethenyl]-.alpha..."	"C\C=C(\CO)/[C@@H]1C[C@H](NCc2ccccc2)[C@](O)(C1)C(=C)c3ccccc3N"	0	""	""	1	1	11969729	""
"617208"	"617208"	"KSC495O7F"	"COc1ccc(C=O)c(c1)[N+](=O)[O-]"	0	""	""	1	1	357691	""
"617260"	"617260"	"RLKHNNGEYFFESK-UHFFFAOYSA-N"	"O=C(CNC(=O)OCc1ccccc1)Oc2ccccc2"	0	""	""	2	1	357740	""
"617263"	"617263"	"(4R,5S)-4-Methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one"	"CC(C)C(=O)N1[C@H](C)[C@@H](OC1=O)c2ccccc2"	0	""	""	2	1	357742	""
"617277"	"617277"	"Hexanal, 4-methyl-6-(phenylmethoxy)-"	"CC(CCOCc1ccccc1)CCC=O"	0	""	""	3	1	357756	""
"617288"	"617288"	"N-(Benzenesulfonyl)undec-10-enamide"	"C=CCCCCCCCCC(=O)NS(=O)(=O)c1ccccc1"	0	""	""	1	1	357765	""
"617309"	"617309"	"Benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate"	"COCOCC[C@@H]1CC=CC(NC(=O)OCc2ccccc2)C1\C=C\C(=O)CCC3OCCO3"	0	""	""	2	1	5386713	""
"617318"	"617318"	"1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone"	"CCCCCC(=C)CN1CCCC1C(=O)C"	0	""	""	2	1	357791	""
"617330"	"617330"	"RADNLYZNRNNWSG-UHFFFAOYSA-N"	"COCCCCCC(=O)CP(=O)(OC)OC"	0	""	""	2	1	357802	""
"617347"	"617347"	"Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2"	"CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](N)CC(=O)N)C(C)C)C(=O)N"	0	""	""	1	1	6711308	""
"617369"	"617369"	"[(E)-3-Trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate"	"C\C=C(/CCOS(=O)(=O)c1ccc(C)cc1)\[Si](C)(C)C"	0	""	""	1	1	357836	""
"617372"	"617372"	"4-Methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine"	"CCCN1CCC=CC1"	0	""	""	1	1	357839	""
"617381"	"617381"	"1-Phenyl-1,2,3,6-tetrahydropyridine"	"C1CN(CC=C1)c2ccccc2"	0	""	""	1	1	357849	""
"617394"	"617394"	""	"COCCOCOC(C)(C)[C@H](CCOC(=O)C)O[Si](c1ccccc1)(c2ccccc2)C(C)(C)C"	0	NA	NA	1	1	NA	""
"617399"	"617399"	"3-Iodo-3-trimethylsilanyl-prop-2-EN-1-OL"	"C[Si](C)(C)\C(=C\CO)\I"	0	""	""	1	1	5924474	""
"617412"	"617412"	"A818317"	"ClCc1ccc(cc1)C2OCCO2"	0	""	""	2	1	357878	""
"617418"	"617418"	"1-(3-Iodopropyl)cyclopentane-1-carbonitrile"	"ICCCC1(CCCC1)C#N"	0	""	""	1	1	357884	""
"617422"	"617422"	""	"CCCC[C@@H](OC(=O)N[C@H](C)c1ccccc1)C#C"	0	NA	NA	1	1	NA	""
"617425"	"617425"	"[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate"	"CC(=O)Oc1c(OC(=O)C)c(c(O)c(O)c1c2ccc(O)cc2)c3ccc(O)c(O)c3"	0	""	""	2	1	357890	""
"617553"	"617553"	"Dexniquldipine HCl"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)C"	0	""	""	2	1	357904	""
"617562"	"617562"	""	"[Cl-].CC1=[N+]2NC(=O[Ni+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6cccnc6)c7cccnc7"	0	NA	NA	1	1	NA	""
"617563"	"617563"	""	"[Cl-].CC1=[N+]2NC(=O[Cu+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6cccnc6)c7cccnc7"	0	NA	NA	1	1	NA	""
"617564"	"617564"	"Zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate"	"CC(=O)[O-].CC(=O)[O-][Zn+2]1234O=C(N[N+]1=C(C)c5cccc(C(=[N+]2NC(=O3)c6cccnc6)C)[n+]45)c7cccnc7"	0	""	""	2	2	24202006	""
"617566"	"617566"	"Manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid..."	"[Cl-].CC1=[N+]2NC(=O[Mn+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	5	2	NA	""
"617567"	"617567"	"Iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi..."	"[Cl-].CC1=[N+]2NC(=O[Fe+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	4	3	NA	""
"617568"	"617568"	"2-Hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate"	"CC1=[N+]2NC(=O[Fe+2]234(O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)[O-]S(=O)(=O)[O-])c7ccccc7O"	0	""	""	1	1	24202007	""
"617569"	"617569"	""	"[Cl-].CC1=[N+]2NC(=O[Co+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	3	2	NA	""
"617570"	"617570"	"Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi..."	"[Cl-].CC1=[N+]2NC(=O[Ni+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	5	2	NA	""
"617571"	"617571"	""	"[Cl-].CC1=[N+]2NC(=O[Cu+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	3	1	NA	""
"617572"	"617572"	""	"[Cl-].CC1=[N+]2NC(=O[Zn+2]234([ClH-])O=C(N[N+]3=C(C)c5cccc1[n+]45)c6ccccc6O)c7ccccc7O"	0	NA	NA	1	1	NA	""
"617573"	"617573"	"Benzoic acid, 2-hydroxy-, (2,6-pyridinediyldiethylidyne)..."	"C\C(=N/NC(=O)c1ccccc1O)\c2cccc(n2)\C(=N\NC(=O)c3ccccc3O)\C"	0	NA	NA	5	3	NA	""
"617574"	"617574"	"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	"Oc1ccccc1C2=O[Mn+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569769	""
"617575"	"617575"	"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	"[Cl-].Oc1ccccc1C2=O[Fe+3]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569770	""
"617576"	"617576"	"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	"Oc1ccccc1C2=O[Fe+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569771	""
"617577"	"617577"	"Cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Co+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569772	""
"617578"	"617578"	"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	"Oc1ccccc1C2=O[Ni+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569773	""
"617579"	"617579"	"Copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Cu+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569774	""
"617580"	"617580"	"Zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Zn+2]345(O=C(N[N+]3=Cc6cc(Cl)cc(Cl)c6[O-]4)c7ccccc7O)[O-]c8c(Cl)cc(Cl)cc8C=[N+]5N2"	0	""	""	1	1	9569775	""
"617581"	"617581"	"ARONIS017955"	"Oc1ccccc1C(=O)N\N=C\c2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	135455583	""
"617582"	"617582"	"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)"	"Oc1ccccc1C2=O[Mn+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	2	1	9569776	""
"617583"	"617583"	"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride"	"[Cl-].Oc1ccccc1C2=O[Fe+3]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569777	""
"617584"	"617584"	"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)"	"Oc1ccccc1C2=O[Fe+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569778	""
"617585"	"617585"	"Cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Co+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569779	""
"617586"	"617586"	"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)"	"Oc1ccccc1C2=O[Ni+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569780	""
"617587"	"617587"	"Copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Cu+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569781	""
"617588"	"617588"	"Zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate"	"Oc1ccccc1C2=O[Zn+2]345(O=C(N[N+]3=Cc6cc(Br)cc(Br)c6[O-]4)c7ccccc7O)[O-]c8c(Br)cc(Br)cc8C=[N+]5N2"	0	""	""	1	1	9569782	""
"617591"	"617591"	"Meldola's Blue"	"CN(C)c1ccc2cc3Nc4ccccc4Oc3cc2c1.Cl[Zn]Cl"	0	""	""	1	1	357925	""
"617593"	"617593"	"Methylene Blue"	"CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	NA	NA	2	2	NA	""
"617594"	"617594"	"Goniothalamicin"	"CCCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CCCCCC(O)CC2=CC(C)OC2=O"	0	""	""	1	1	357928	""
"617595"	"617595"	"Isoxazolyl-prodrug of distamycin (stallimycin)"	"CCOC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4c(C)onc4c5ccccc5)cn3C)cn2C)cn1C"	0	""	""	1	1	357929	""
"617600"	"617600"	""	"COC(=O)C1=CC(NC(=O)OCc2ccccc2)C(C[C@@H]1Sc3ccccc3)C(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"617602"	"617602"	"Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate"	"O=CC1CCC=CC1NC(=O)OCc2ccccc2"	0	""	""	1	1	357934	""
"617603"	"617603"	"1,1-dimethylethyl methyl diester, (z, e)"	"COC(=O)\C(=C/Sc1ccccc1)\C=C\C(=O)OC(C)(C)C"	0	""	""	2	2	5386766	""
"617609"	"617609"	"2-((Phenylthio)methylene)malononitrile"	"N#CC(=CSc1ccccc1)C#N"	0	""	""	1	1	357940	""
"617623"	"617623"	""	"C\C=C(/CCC1NCCc2c1[nH]c3ccccc23)\[Si](C)(C)C"	0	NA	NA	2	1	NA	""
"617634"	"617634"	""	"O=C(NC1CCC[C@H]1OC(=O)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"617636"	"617636"	""	"CC(C)(C)OC(=O)NC1CCC[C@H]1O"	0	NA	NA	1	1	NA	""
"617639"	"617639"	"6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde"	"COC(OC)c1cc2OCOc2cc1C=O"	0	""	""	1	1	357964	""
"617640"	"617640"	"5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole"	"CO\C=C\c1cc2OCOc2cc1C(OC)OC"	0	""	""	1	1	5386778	""
"617644"	"617644"	"Acetonitrile, [[[2-(1-phenylethenyl)-2-hydroxycyclobutyl..."	"O[C@@]1(CC[C@@H]1N(CC#N)Cc2ccccc2)C(=C)c3ccccc3"	0	NA	NA	3	1	NA	"96617231"
"617668"	"617668"	"b720389k237"	"COC1=CC(=O)N(C1Cc2ccccc2)C(=O)C(OC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)C(C)C"	0	NA	NA	7	5	NA	""
"617669"	"617669"	""	"CCOC(=O)C(C)(NC(=O)c1ccc(NCc2ccc3nc(NC(=O)c4ccccc4)nc(NC(=O)c5ccccc5)c3c2)cc1)C(=O)OCC"	0	NA	NA	1	1	NA	""
"617743"	"617743"	"Pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-..."	"COc1ccc(cc1)c2cc(c3ccccc3)[n+](c4ccc(C)cc4)c(c2)c5ccccc5"	0	NA	NA	2	2	NA	""
"617768"	"617768"	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid"	"OC(=O)\C=C\C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	3	2	5386793	""
"617806"	"617806"	"1-Bromo-2-pentadecanone"	"CCCCCCCCCCCCCC(=O)CBr"	0	""	""	3	3	125829	""
"617822"	"617822"	"(E)-2-Methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride"	"C\C(=C/c1ccccc1)\C(=O)CCN2CCOCC2"	0	""	""	2	2	5386794	""
"617823"	"617823"	"4-Morpholinepentanoic acid, .alpha.-(phenylmethylene)- ...."	"CCOC(=O)\C(=C/c1ccccc1)\C(=O)CCN2CCOCC2"	0	""	""	4	4	5386796	""
"617824"	"617824"	"4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride"	"O=C(CCN1CCOCC1)C(=Cc2ccccc2)C(=O)CCN3CCOCC3"	0	""	""	2	2	358056	""
"617826"	"617826"	"(E)-5-Morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride"	"O=C(CCN1CCOCC1)\C(=C\c2ccccc2)\c3ccccc3"	0	""	""	2	1	5386798	""
"617844"	"617844"	"Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-"	"CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-]"	0	""	""	2	2	135435952	""
"617846"	"617846"	"4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide"	"Cc1cc[n+]2CC[n+]3ccc(C)cc3c2c1"	0	""	""	2	1	358067	""
"617930"	"617930"	"N-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccc(O)cc3"	0	""	""	3	2	358074	""
"617931"	"617931"	"N-[2-(Dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccncc3"	0	""	""	1	1	358076	""
"617932"	"617932"	"2-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2ccc(nc12)c3ccc(Br)cc3"	0	""	""	2	1	358078	""
"617936"	"617936"	"6-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(Cl)cc2ccc(nc12)c3ccccc3"	0	""	""	2	1	358086	""
"617937"	"617937"	"NIOSH/VD1581000"	"CN(C)CCNC(=O)c1cccc2ncc(nc12)c3ccccc3"	0	""	""	2	1	358088	""
"617950"	"617950"	"N-[2-(Dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccccc4"	0	""	""	1	1	358111	""
"617951"	"617951"	"N-[2-(Dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4cccnc4"	0	""	""	1	1	358113	""
"617952"	"617952"	"N-[2-(Dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccc(F)cc4"	0	""	""	1	1	358115	""
"617953"	"617953"	"N-[2-(Dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2c3ccccc3c(nc12)c4ccncc4"	0	""	""	1	1	358117	""
"617956"	"617956"	"N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride"	"CN(C)CCNC(=O)c1cccc2C(=O)c3ccccc3Oc12"	0	""	""	2	1	183394	""
"617957"	"617957"	"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride"	"CN(C)CCNC(=O)c1cccc2Sc3ccccc3Nc12"	0	""	""	2	1	183397	""
"617958"	"617958"	"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]-5- met..."	"CN(C)CCNC(=O)c1cccc2cc3cccc(C)c3nc12"	0	""	""	2	2	358122	""
"617959"	"617959"	"N-[2-(Dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride"	"COc1ccc2nc3c(cccc3cc2c1)C(=O)NCCN(C)C"	0	""	""	2	1	358123	""
"617960"	"617960"	"N-[2-(Dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3cc(O)ccc3nc12"	0	""	""	2	1	358124	""
"617961"	"617961"	"N-[2-(Dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(C)cc2cc3ccccc3nc12"	0	""	""	2	2	358126	""
"617963"	"617963"	"N-[2-(Dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3cc(C)ccc3nc12"	0	""	""	2	1	358128	""
"617964"	"617964"	"N-[2-(Dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3c(C)cccc3nc12"	0	""	""	2	1	358130	""
"617965"	"617965"	"N-[2-(Dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2cc3ccc4ccccc4c3nc12"	0	""	""	2	1	358132	""
"617966"	"617966"	"2-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12"	0	""	""	2	1	358134	""
"617967"	"617967"	"N-[2-(Dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1ccc(C)c2cc3ccccc3nc12"	0	""	""	1	1	358135	""
"617969"	"617969"	"1,4-Acridinedicarboxamide, N,N'-bis[2-(dimethylamino) et..."	"CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12"	0	""	""	2	1	358138	""
"617971"	"617971"	"N-(2-Aminoethyl)acridine-4-carboxamide;hydrochloride"	"NCCNC(=O)c1cccc2cc3ccccc3nc12"	0	""	""	2	2	358141	""
"617976"	"617976"	"Benzo(a)phenazine-8-carboxamide, N-[2-(dimethylamino)eth..."	"CN(C)CCNC(=O)c1cccc2nc3c(ccc4ccccc34)nc12"	0	""	""	4	2	358150	""
"617977"	"617977"	"N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3ccc4ccccc4c3nc12"	0	""	""	1	1	358152	""
"617979"	"617979"	"7-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3cc(Cl)ccc3nc12"	0	""	""	2	2	358156	""
"617985"	"617985"	"N-[3-(Dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride"	"CN(C)CCCNC(=O)c1cccc2nc3ccccc3nc12"	0	""	""	2	2	358168	""
"617987"	"617987"	"N-[2-(Dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride"	"CN(C)CCNC(=O)c1cccc2nc3ccc4cccnc4c3nc12"	0	""	""	1	1	358172	""
"617988"	"617988"	"Dibenzo[a,c]phenazine-10-carboxamide, N-[2- (dimethylami..."	"CN(C)CCNC(=O)c1cccc2nc3c4ccccc4c5ccccc5c3nc12"	0	""	""	4	2	358174	""
"617989"	"617989"	"3-Deazaneplanocin, hydrochloride"	"Nc1nccc2c1ncn2C3C=C(CO)C(O)C3O"	0	NA	NA	17	11	NA	""
"618048"	"618048"	"6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CCCCCNc4ccc(cc4[N+](=O)[O-])N=[N+]=[N-]"	0	""	""	2	2	3003993	""
"618049"	"618049"	"4-Azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)c4ccc(cc4)N=[N+]=[N-]"	0	""	""	3	2	3003994	""
"618059"	"618059"	"1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride"	"O=C(CCN1CCOCC1)\C=C\c2ccccc2"	0	""	""	5	4	5386805	"84175279"
"618069"	"618069"	"7-Chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine"	"ClCc1nnc2CSc3cc(Cl)ccc3n12"	0	""	""	2	1	358192	""
"618070"	"618070"	"2-Chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide"	"ClCC(=O)NNC1=Nc2ccc(Cl)cc2SC1"	0	""	""	2	2	358193	""
"618077"	"618077"	"Phenol, 4-ethyl-2-[(E)-[[3-[[3-[[(1E)-(2-hydroxy- 5-meth..."	"CCc1ccc2[O-][Co+3]34([O-]c5ccc(C)cc5C=[N+]3CCCN(C)CCC[N+]4=Cc2c1)[NH-]=[N+]=[N-]"	0	""	""	3	2	5459108	""
"618093"	"618093"	"[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate"	"CC1OC(C=C(OC(=O)C)C1=O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	2	358202	""
"618100"	"618100"	"(1R,4R)-1,4-Bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione"	"COc1ccc(cc1)[C@@H]2OC(=O)C3[C@@H](OC(=O)C23)c4ccc(OC)cc4"	0	""	""	1	1	358209	""
"618115"	"618115"	"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/Cl)\c2ccc(OC)c(OC)c2)\C=O"	0	""	""	1	1	5386811	""
"618116"	"618116"	"(E)-3-Chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Cl)cc2)\Cl"	0	""	""	1	1	5386812	""
"618120"	"618120"	"(E)-3-Chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(Cl)cc2)\Cl"	0	""	""	1	1	5386813	""
"618121"	"618121"	"2-Propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	11	2	3001008	""
"618123"	"618123"	"Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate"	"CCOC(=O)Cc1cc(OC)c(OC)cc1\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	1	1	5386814	""
"618142"	"618142"	""	"Cn1cc[n+]2c1C[NH+]3Cc4[n+](ccn4C)[Cu+2]23([BrH3-])[BrH3-]"	0	NA	NA	1	1	NA	""
"618144"	"618144"	"Copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate"	"CC(=O)[O-][Cu+2]12[NH+](Cc3[n+]1ccn3C)Cc4[n+]2ccn4C.[O-]Cl(=O)(=O)=O"	0	""	""	1	1	24202012	""
"618145"	"618145"	"Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate"	"Cn1cc[n+]2c1CN3Cc4[n+](ccn4C)[Cu+2]23([O-][N+](=O)[O-])[O-][N+](=O)[O-]"	0	""	""	1	1	358228	""
"618201"	"618201"	"1,4-Anthracenedione, 5-hydroxy-"	"Oc1c2C(=O)C=CC(=O)c2cc3ccccc13"	0	""	""	4	4	358258	"74553574"
"618207"	"618207"	"2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde"	"COc1cccc(C=O)c1C(=O)c2cc(O)ccc2O"	0	""	""	2	1	358264	""
"618228"	"618228"	"1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol"	"Cc1ccc(cc1)S(=O)(=O)N2CCCCC2CCO"	0	""	""	1	1	358286	""
"618229"	"618229"	"2-[(E)-4-Chlorobut-2-enoxy]oxane"	"ClC\C=C\COC1CCCCO1"	0	""	""	1	1	5386823	""
"618230"	"618230"	"(4Ar)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile"	"N#CN1CC[C@@H]2CC3(CCC2C1)OCCO3"	0	""	""	1	1	358288	""
"618231"	"618231"	"8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile"	"O=C(N1CCC2(CC1C#N)OCCO2)c3ccccc3"	0	""	""	1	1	358289	""
"618234"	"618234"	"2-Benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one"	"O=C(N1CCC2CC(=O)NCCC2C1)c3ccccc3"	0	""	""	1	1	358292	""
"618235"	"618235"	"(4Ar)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile"	"O=C(N1CC2CCC3(C[C@H]2CC1C#N)OCCO3)c4ccccc4"	0	""	""	2	1	358293	""
"618236"	"618236"	"BIBSDXWBPGZTKL-UHFFFAOYSA-N"	"CCOC(=O)C=C1CCN(CC1)C(=O)c2ccccc2"	0	""	""	1	1	358294	""
"618237"	"618237"	"1-Benzoyl-2-benzylpiperidine-2-carbonitrile"	"O=C(N1CCCCC1(Cc2ccccc2)C#N)c3ccccc3"	0	""	""	1	1	358295	""
"618238"	"618238"	"CMLDBU00002581"	"COC(=O)C(C1CCCC(=O)C1)C(=O)OC"	0	""	""	1	1	358296	""
"618239"	"618239"	"2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile"	"O=C(N1CCC2CC3(CCC2C1C#N)OCCO3)c4ccccc4"	0	""	""	1	1	358297	""
"618240"	"618240"	"Methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate"	"COC(=O)CC1C[C@H](C#N)N(C[C@@H]1CC[N+](=O)[O-])C(=O)c2ccccc2"	0	""	""	1	1	358298	""
"618261"	"618261"	"2H-1-Benzopyran, 6-methoxy-3-nitro-2-[2,2,2',2'-tetramet..."	"COc1ccc2OC(C3OC(C)(C)OC3C4COC(C)(C)O4)C(=Cc2c1)[N+](=O)[O-]"	0	""	""	3	2	358300	""
"618262"	"618262"	"4,4,11,11-Tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane"	"CC1(C)OC2OC(\C=C\[N+](=O)[O-])C3OC(C)(C)OC3C2O1"	0	""	""	2	2	5386824	""
"618267"	"618267"	"1-Diazo-N,N-dimethylmethanamine"	"CN(C)C=[N+]=[N-]"	0	""	""	1	1	358305	""
"618270"	"618270"	"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one"	"CN1CN(C2OC(CO)C(O)C2O)C3=C1C(=O)NC(=N3)N"	0	""	""	1	1	135422750	""
"618272"	"618272"	"UWHFXNUVALKMIU-UHFFFAOYSA-N"	"CC(=CC(=O)Oc1ccc(cc1)[N+](=O)[O-])C"	0	""	""	1	1	358311	""
"618296"	"618296"	"2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one"	"O=C1C=CC=CC=C1NCCCCCCCCCNC2=CC=CC=CC2=O"	0	""	""	1	1	358331	""
"618298"	"618298"	"2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one"	"O=C1C=CC=CC=C1NCCCCCCCCNC2=CC=CC=CC2=O"	0	""	""	1	1	358333	""
"618305"	"618305"	"STK699265"	"Cc1ccccc1C(=O)Oc2ccc(OCc3ccccc3)cc2"	0	""	""	1	1	358340	""
"618308"	"618308"	"DA-23553"	"COc1ccc(O)c(C#N)c1C#N"	0	""	""	1	1	358343	""
"618313"	"618313"	"(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate"	"CC(=O)Oc1ccc(O)c2CCCCc12"	0	""	""	2	1	358348	""
"618314"	"618314"	"ghl.PD_Mitscher_leg0.158"	"COC12CCC(C=C1)c3c(O)ccc(O)c23"	0	""	""	2	1	358349	""
"618315"	"618315"	"1,4-Naphthalenedione, 5-methoxy-"	"COc1cccc2C(=O)C=CC(=O)c12"	0	""	""	3	3	123220	""
"618317"	"618317"	"1,4-Bis(2-ethoxyethoxy)benzene"	"CCOCCOc1ccc(OCCOCC)cc1"	0	""	""	2	2	358350	""
"618319"	"618319"	"1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene"	"COCCOCOc1ccc(OCc2ccccc2)cc1"	0	""	""	2	1	358352	""
"618332"	"618332"	"1,4-Naphthalenedione, 2,3-diphenyl-"	"BrC1=C(Br)C(=O)c2ccccc2C1=O"	0	NA	NA	4	2	NA	"13243657"
"618403"	"618403"	"N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide"	"Cc1ccc2nc([nH]c2c1)\C(=C\c3ccc(\C=C(/NC(=O)c4ccccc4)\c5nc6ccc(C)cc6[nH]5)c(C)c3)\NC(=O)c7ccccc7"	0	""	""	1	1	5386833	""
"618447"	"618447"	"Methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate"	"COC(=O)N\N=C(\CC1(O)C(=O)Nc2ccc(cc12)[N+](=O)[O-])/c3ccccc3"	0	""	""	2	1	9555771	""
"618487"	"618487"	"Staurosporine"	"CN[C@H]1C[C@@H]2OC(C)([C@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35"	0	"PK:PRKCA,SRC,Multikinase"	"Clinical trial"	7	3	NA	""
"618489"	"618489"	"Methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate"	"COC(=O)N\N=C(/C)\C1=C(O)C=C(C)OC1=O"	0	""	""	1	1	135455594	""
"618495"	"618495"	""	"NC(=N)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	NA	""
"618500"	"618500"	"Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate"	"COC(=O)CCC(=O)C(C#N)c1ccc(Cl)cc1Cl"	0	""	""	1	1	358492	""
"618541"	"618541"	"STK544180"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccc3)C(=O)Nc4ccccc4"	0	""	""	1	1	358533	""
"618571"	"618571"	"Isoannonacin"	"CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(O)CCCCCC2CC(CC(=O)C)C(=O)O2"	0	""	""	3	2	128014	""
"618605"	"618605"	"2-Butenoic acid, 2,3-dichloro-4-[(2,6-diethylphenyl) ami..."	"CCc1cccc(CC)c1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	""	""	3	1	9948812	""
"618619"	"618619"	"N-[(Z)-2-[2-[(Z)-2-Acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide"	"CC(=O)N\C(=C/c1ccccc1\C=C(/NC(=O)C)\c2nc3cc(C)c(C)cc3[nH]2)\c4nc5cc(C)c(C)cc5[nH]4"	0	""	""	1	1	5386905	""
"618621"	"618621"	"N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide"	"Clc1ccc(\C=C(\NC(=O)c2ccccc2)/c3nc4ccccc4s3)c(Cl)c1"	0	""	""	1	1	5386906	""
"618622"	"618622"	"4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene"	"CC(C)(C)c1cc2nc(c1)C(OB(Br)OC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358615	""
"618630"	"618630"	"1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol"	"OC(c1ccccc1Br)(c2ccccc2Br)C(F)(F)F"	0	""	""	1	1	358622	""
"618631"	"618631"	"5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene"	"CC(=C)c1cc(cc(C(=C)C)c1S(=O)(=O)C)C(C)(C)C"	0	""	""	1	1	358623	""
"618635"	"618635"	"3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane"	"CC12O[Te]34OC(C)(C1(C)O3)C2(C)O4"	0	""	""	1	1	358627	""
"618636"	"618636"	"1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol"	"CC1(O)C(C)(O)C2(C)O[Te]3(OC4(C)C(C)(O)C(C)(O)C4(C)O3)OC12C"	0	""	""	1	1	358628	""
"618641"	"618641"	"7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium"	"CC(C)(C)[Si-]12(OC(c3ccccc13)(C(F)(F)F)C(F)(F)F)OC(c4ccccc24)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358630	""
"618642"	"618642"	"6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one"	"CC(C)(C)c1cc(c2c(c1)C(OC23c4ccccc4C(=O)c5ccccc35)(C(F)(F)F)C(F)(F)F)C(OCCl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358632	""
"618645"	"618645"	"2-[2,6-Ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)c1cc(c2NC(C)(OC(c2c1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358635	""
"618646"	"618646"	"2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)C1Nc2c(cc(cc2C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358636	""
"618647"	"618647"	"2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"CC(C)(C)c1cc(c2NC(OC(c2c1)(C(F)(F)F)C(F)(F)F)(c3ccccc3)C(C)(C)C)C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	358637	""
"618654"	"618654"	"Ammonium Trichlorotellurate"	"N.[ClH-][Te+4]1([ClH-])([ClH-])[O-]CC[O-]1"	0	NA	NA	1	1	NA	""
"618659"	"618659"	"2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate"	"CCc1cccc(C(C)C)c1NC2=C(C(=O)c3ccccc3C2=O)[n+]4ccc(C)cc4"	0	""	""	2	2	24202023	""
"618757"	"618757"	"Piperidinium, 3,5-bis[4-[(dimethylamino)phenyl]methylene..."	"CN(C)c1ccc(\C=C\2/C[N+](C)(C)C\C(=C/c3ccc(cc3)N(C)C)\C2=O)cc1"	0	""	""	3	3	5386914	"122864737"
"618758"	"618758"	"(E)-5-(Dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide"	"CN(C)CC(C)(C)C(=O)\C=C\c1ccc(\C=C\C(=O)C(C)(C)CN(C)C)cc1"	0	""	""	1	1	5386916	""
"618759"	"618759"	"4-Penten-3-one, 5,5'-(1,4-phenylenbis)bis[2,2-dimethyl- ..."	"CC(C)(CN1CCCCC1)C(=O)\C=C\c2ccc(\C=C\C(=O)C(C)(C)CN3CCCCC3)cc2"	0	""	""	4	4	5386918	""
"618760"	"618760"	"(E)-1-[4-[(E)-4,4-Dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide"	"CC(C)(CN1CCOCC1)C(=O)\C=C\c2ccc(\C=C\C(=O)C(C)(C)CN3CCOCC3)cc2"	0	""	""	1	1	5386920	""
"618763"	"618763"	"(E)-1-(Diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide"	"CCN(CC)CC(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	5386925	""
"618765"	"618765"	"(E)-5-(Dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide"	"CN(C)CCC(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	5386929	""
"618766"	"618766"	"(E)-5-(Diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide"	"CCN(CC)CC(C)C(=O)\C=C\c1ccc(C)cc1"	0	""	""	1	1	5386931	""
"618768"	"618768"	"(3E,5E)-3,5-Dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide"	"C[N+]1(C)C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	1	1	5386935	""
"618770"	"618770"	"Piperidin-4-ol, N-ethyl-N-methyl-3-(1-oxo-3-phenyl-2-pro..."	"CC[N+]1(C)CCC(O)(\C=C\c2ccccc2)C(C1)C(=O)\C=C\c3ccccc3"	0	""	""	4	4	5386939	""
"618824"	"618824"	""	"[Cl-][Fe+3]12([Cl-])(S=C3C=CC=C[N-]13)[O]=P(CP(=[O]2)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	1	1	NA	""
"618826"	"618826"	""	"[Cl-][Cu+2]1(S=C2C=CC=CN2[O-]1)P(CCCCP(c3ccccc3)c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	1	NA	""
"618857"	"618857"	"4-Piperidinone, 3,5-bis[[(4-methylthio)phenyl]methylene]..."	"CSc1ccc(\C=C\2/CNC\C(=C/c3ccc(SC)cc3)\C2=O)cc1"	0	NA	NA	5	2	NA	""
"618861"	"618861"	"8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(cc(OC)c1OC)C2C3=C(CCC3=O)Oc4cc5OCOc5cc24"	0	""	""	1	1	358792	""
"618862"	"618862"	"Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxole-8-one, 6,9..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	4	2	358793	""
"618871"	"618871"	"(3R,7S,8S)-3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one"	"COc1cc(cc(OC)c1OC)[C@@H]2[C@@H]3C(=O)OC[C@]3(O)Oc4cc5OCOc5cc24"	0	""	""	2	1	6711325	""
"618927"	"618927"	"Demethylnobiletin"	"COc1ccc(cc1OC)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	358832	""
"618928"	"618928"	"3-Methoxynobiletin"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	150893	""
"618932"	"618932"	"MEGxp0_000612"	"COC1=C(Oc2c(OC)c(O)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	""	""	2	2	5386961	""
"618933"	"618933"	"LMPK12113330"	"COC1=C(Oc2c(OC)c(O)c(OC)c(O)c2C1=O)c3ccc(O)c(O)c3"	0	""	""	1	1	5386962	""
"618935"	"618935"	"07JTS22V9J"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(OC)c3"	0	""	""	2	2	136417	""
"618939"	"618939"	"Camptothecin Derivative"	"CC[C@@]1(OC(=O)CN(C)C)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	5	5	NA	""
"619003"	"619003"	"MX2 HCl"	"CC[C@@]1(O)CC(OC2CC(C(O)C(C)O2)N3CCOCC3)c4c(O)c5C(=O)c6c(O)cccc6C(=O)c5c(O)c4[C@H]1O"	0	""	""	23	12	5351347	""
"619007"	"619007"	"2,3',3''-SEtNMe2-4,6-diPh-Pyr"	"CN(C)CCSc1cccc(c1)c2cc(nc(SCCN(C)C)n2)c3cccc(SCCN(C)C)c3"	0	""	""	1	1	358880	""
"619012"	"619012"	"RD3GVR673P"	"CN1CCN(CCSc2ncc(C)c(n2)c3cc4ccccc4s3)CC1"	0	""	""	1	1	358883	""
"619013"	"619013"	"2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine"	"CN(C)CCSc1nccc(n1)c2cc3ccccc3s2"	0	""	""	1	1	358884	""
"619029"	"619029"	"Carzelesin"	"CCN(CC)c1ccc2cc(oc2c1)C(=O)Nc3ccc4[nH]c(cc4c3)C(=O)N5CC(CCl)c6c5cc(OC(=O)Nc7ccccc7)c8[nH]cc(C)c68"	0	NA	NA	2	1	NA	"119813104"
"619030"	"619030"	"Analog of CC-1065"	""	0	NA	NA	2	2	NA	""
"619031"	"619031"	"Analog of CC-1065"	""	0	NA	NA	3	2	NA	""
"619042"	"619042"	"Cyclohexanone, 2,6-bis[(dimethylamino)methyl]-, dihydroc..."	"CN(C)CC1CCCC(CN(C)C)C1=O"	0	NA	NA	7	7	NA	""
"619102"	"619102"	"4-Methoxy-1,5-benzothiazepine-1,1-dioxide"	"COC1=Nc2ccccc2S(=O)(=O)C=C1"	0	""	""	3	2	358940	"111888325"
"619103"	"619103"	"Thymidine, 3'-azido-5-bromo-3'-deoxy-5,6-dihydro-6-methoxy-"	"OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO"	0	NA	NA	1	1	NA	""
"619147"	"619147"	"SR 4482"	"[O-][n+]1cn[n+]([O-])c2ccccc12"	0	""	""	1	1	358960	""
"619156"	"619156"	"3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone"	"Cc1nn(c(S)c1C(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	4989771	""
"619161"	"619161"	"3-Phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione"	"S=C1ON=C(/C/1=C/Nc2ccccc2)c3ccccc3"	0	""	""	1	1	3259678	""
"619164"	"619164"	"Deplancheine"	"C\C=C\1/CCC2N(CCc3c2[nH]c4ccccc34)C1"	0	""	""	1	1	5386990	""
"619166"	"619166"	"(3Z)-3-Ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine"	"C\C=C/1\CCC2N(CCc3c2[nH]c4ccccc34)C1"	0	""	""	1	1	5386991	""
"619171"	"619171"	"F9994-6556"	"FC(F)(F)C(=O)NC1CCCC1=O"	0	""	""	1	1	358975	""
"619173"	"619173"	""	"CC(C)(C)OC(=O)N1C2CCCC23O[C@@H]1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"619178"	"619178"	"ANTINEOPLASTIC-619178"	"[O-]C(C([O-])C(=O)[O-])C(=O)[O-].c1ccc(cc1)c2cc[n+]3c4c2ccc5c(cc[n+](c45)[Co+3]367([n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]6c%11c8%10)c%12ccccc%12)[n+]%13ccc(c%14ccccc%14)c%15ccc%16c(cc[n+]7c%16c%13%15)c%17ccccc%17)c%18ccccc%18"	0	""	""	1	1	24202028	""
"619184"	"619184"	""	"[ClH-][Ru+2]12([ClH-])([n+]3ccc(c4ccccc4)c5ccc6c(cc[n+]1c6c35)c7ccccc7)[n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]2c%11c8%10)c%12ccccc%12"	0	NA	NA	1	1	NA	""
"619187"	"619187"	""	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].c1ccc2c(c1)C3=[NH+][Ru+2]45([NH+]=C6C(=[NH+]4)c7ccccc7c8ccccc68)([NH+]=C3c9ccccc29)[n+]%10ccccc%10c%11cccc[n+]5%11"	0	NA	NA	1	1	NA	""
"619192"	"619192"	"5-amino-2-glyceryl-1,2,4-thiadiazol-3-one"	"NC1=NC(=O)N(CC(O)CO)S1"	0	""	""	1	1	358985	""
"619195"	"619195"	"4-N-[12-[(2-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-2,4-diamine"	"Nc1nc(Cl)cc(NCCCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	358988	""
"619196"	"619196"	"4-N-[12-[(5-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine"	"Nc1c(Cl)ncnc1NCCCCCCCCCCCCNc2ncnc(Cl)c2N"	0	""	""	1	1	358989	""
"619214"	"619214"	"Dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate"	"COC(=O)C1[C@@H](c2cc(OC)c(OC)c(OC)c2)c3c(OC)c(OC)c(OC)cc3C=C1C(=O)OC"	0	""	""	1	1	359002	""
"619216"	"619216"	"Dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate"	"COC(=O)C1[C@@H](c2ccc3OCOc3c2)c4cc5OCOc5cc4C=C1C(=O)OC"	0	""	""	1	1	359004	""
"619217"	"619217"	"Methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate"	"COC(=O)C1=C(O)c2cc3OCOc3cc2[C@@H](C1)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	54676212	""
"619222"	"619222"	"Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(OC(C1)c2ccc3OCOc3c2)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	359010	""
"619223"	"619223"	"Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(OC(C1)c2cc(OC)c(OC)c(OC)c2)c3ccc4OCOc4c3"	0	""	""	1	1	359011	""
"619230"	"619230"	"20-amino-20-deoxy-20(rs)-camptothecin"	"CCC1(N)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"619232"	"619232"	"9-Glycinamido-20(RS)-camptothecin hydrochloride"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CN)cccc5nc34)C2=O"	0	"TOP1"	""	4	4	NA	""
"619296"	"619296"	""	"CC1CCCCN1C2=S[Pd+2]3([SH-]C(=S3)N4CCCCC4C)[SH-]2"	0	NA	NA	1	1	NA	""
"619298"	"619298"	""	"CC1CCN(CC1)C2=S[Pt+2]3([SH-]C(=S3)N4CCC(C)CC4)[SH-]2"	0	NA	NA	1	1	NA	""
"619301"	"619301"	""	"CC1CCN(CC1)C2=S[Ir+3]34([SH-]C(=S3)N5CCC(C)CC5)([SH-]C(=S4)N6CCC(C)CC6)[SH-]2"	0	NA	NA	1	1	NA	""
"619310"	"619310"	""	"CC1CCCN(C1)C2=S[Cu+2]3([SH-]C(=S3)N4CCCC(C)C4)[SH-]2"	0	NA	NA	2	2	NA	""
"619311"	"619311"	""	"CC1CCN(CC1)C2=S[Cu+2]3([SH-]C(=S3)N4CCC(C)CC4)[SH-]2"	0	NA	NA	1	1	NA	""
"619321"	"619321"	""	"C1CN(CCO1)C2=S[Cu+2]3([SH-]C(=S3)N4CCOCC4)[SH-]2"	0	NA	NA	3	2	NA	""
"619324"	"619324"	""	"CN1CCN(CC1)C2=S[Cu+2]3([SH-]C(=S3)N4CCN(C)CC4)[SH-]2"	0	NA	NA	4	2	NA	""
"619378"	"619378"	"1,3,5-Triazin-4-one, 4,5-dihydro-2-amino- 5-.beta.-D-ara..."	"[Li+].NC1=NC(=O)N(C=N1)C2OC(COP(=O)(O)O)C(O)C2O"	0	NA	NA	3	3	NA	""
"619390"	"619390"	""	"Oc1cccc(\C=C\2/COc3ccccc3C2=O)c1"	0	NA	NA	2	2	NA	""
"619531"	"619531"	"2-Chloro-2',3'-dideoxyadenosine"	"Nc1nc(Cl)nc2c1ncn2C3CCC(CO)O3"	0	NA	NA	1	1	NA	""
"619533"	"619533"	"9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester"	"COC(=O)c1cc(c2cccn2C)c3c(c1C(=O)OC)c4ccccc4n3C"	0	""	""	1	1	359066	""
"619674"	"619674"	"5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione"	"O=C(C#CC1=CNC(=O)NC1=O)c2ccccc2"	0	""	""	1	1	359098	""
"619675"	"619675"	"SC-28992"	"Clc1ccccc1C(=O)C#CC2=CNC(=O)NC2=O"	0	""	""	1	1	359099	""
"619677"	"619677"	"5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione"	"COc1ccc(cc1)C(=O)C#CC2=CNC(=O)NC2=O"	0	""	""	2	2	359101	""
"619688"	"619688"	"8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1ccc(cc1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	1	1	359106	""
"619692"	"619692"	"8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid"	"COc1cccc(C2C(=C(CO)Oc3cc4OCOc4cc23)C(=O)O)c1OC"	0	""	""	1	1	359112	""
"619830"	"619830"	"2-Thioxo-5-benzyl-5-methylimidazolidine-4-one"	"CC1(Cc2ccccc2)NC(=S)NC1=O"	0	""	""	1	1	3765805	""
"619837"	"619837"	"6-Bromo-3H-1,2,3-benzodithiazole-2-oxide"	"Brc1ccc2NS(=O)Sc2c1"	0	""	""	1	1	359157	""
"619859"	"619859"	"1H-3-Benzazepin-2-one, 2,3,4,5-tetrahydro-7,8-dimethoxy-..."	"COc1cc2CCN(Cc3cccc(OC)c3OC)C(=O)C(SC)c2cc1OC"	0	""	""	5	2	359177	""
"619860"	"619860"	"Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetraimine"	"N=C1NC(=N)c2cc3C(=N)NC(=N)c3cc12"	0	""	""	3	3	359178	""
"619874"	"619874"	"2,4-Dimethoxy-3-phenylmethoxybenzamide"	"COc1ccc(C(=O)N)c(OC)c1OCc2ccccc2"	0	""	""	1	1	359192	""
"619875"	"619875"	"5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole"	"CC1(SCCCS1)c2cc3OCOc3cc2Br"	0	""	""	1	1	359193	""
"619876"	"619876"	"5-[Bis(ethylsulfanyl)methyl]-6-bromo-1,3-benzodioxole"	"CCSC(SCC)c1cc2OCOc2cc1Br"	0	""	""	1	1	359194	""
"619904"	"619904"	"3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one"	"CN(C)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3)N(C)C)\C2=O)cc1"	0	""	""	1	1	5387024	""
"619905"	"619905"	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid"	"OC(=O)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	2	2	5387025	""
"619906"	"619906"	"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester"	"COC(=O)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	1	1	5387026	""
"619913"	"619913"	"1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole"	"Cn1c(cc(c2cccs2)c1c3cccs3)c4ccccc4"	0	""	""	2	1	359203	""
"619937"	"619937"	"Ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate"	"CCOC(=O)\C=C\1/CCCC12OCCO2"	0	""	""	1	1	5387033	""
"619939"	"619939"	"Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate"	"COC(=O)C1CC(OC(=O)C)C=C2C1CCC2=O"	0	""	""	1	1	359230	""
"619946"	"619946"	"N-(4-Tert-butyl-1-ethenylcyclohexyl)benzamide"	"CC(C)(C)C1CCC(CC1)(NC(=O)c2ccccc2)C=C"	0	""	""	2	1	359237	""
"619961"	"619961"	"Primaquine diphosphate"	"COc1cc(NC(C)CCCN)c2ncccc2c1"	0	NA	NA	4	1	NA	""
"619972"	"619972"	"6-Ethoxy-3,6-dihydro-2H-pyran"	"CCOC1OCCC=C1"	0	""	""	1	1	359256	""
"619981"	"619981"	"[(5E,9E)-11-Chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate"	"C\C(=C/CC\C(=C\C(CC(=C)CO)OC(=O)C)\C)\CCl"	0	""	""	1	1	5387049	""
"619990"	"619990"	"(Z)-3-Iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol"	"OC\C=C(/I)\CCCOCOCc1ccccc1"	0	""	""	1	1	5387054	""
"620050"	"620050"	"GNF-Pf-1921"	"COC(=O)CS(=O)c1ccccc1"	0	""	""	1	1	84191	""
"620055"	"620055"	"1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone"	"NCCc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1"	0	""	""	2	2	359305	""
"620056"	"620056"	"1H-Benzocycloheptene-1,4,7-trione, 4,7-dihydro-"	"O=C1C=CC2=C(C=C1)C(=O)C=CC2=O"	0	""	""	3	3	359306	""
"620077"	"620077"	"HOWZFOFUOIGPRL-UHFFFAOYSA-N"	"OC1CC(=O)C(=C1)Nc2ccc(Cl)cc2"	0	""	""	1	1	359314	""
"620107"	"620107"	"PENTAMIDINE ISETHIONATE"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	"FDA approved"	1	1	NA	"140647"
"620109"	"620109"	"Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester"	"COC(=O)C(CBr)CBr"	0	""	""	5	4	140895	""
"620124"	"620124"	"SWNKZFSGGJUUGT-UHFFFAOYSA-N"	"C[Si](C)(C)OCC#C[Si](C)(C)C"	0	""	""	2	2	359338	""
"620129"	"620129"	"Propanenitrile, 2-chloro-3-(phenylsulfonyl)-"	"ClC(CS(=O)(=O)c1ccccc1)C#N"	0	""	""	4	3	121458	""
"620256"	"620256"	"6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-..."	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13.[ClH-][Pt+2]([ClH-])([ClH-])[ClH-]"	0	""	""	2	2	6477738	""
"620257"	"620257"	"6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ..."	"CCN(CC)CC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1.[ClH-][Pt+2]([ClH-])([ClH-])[ClH-]"	0	""	""	2	2	3005580	""
"620258"	"620258"	"9-Succinamido-20(RS)-camptothecin, sodium salt"	"[Na+].CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CCC(=O)O)cccc5nc34)C2=O"	0	"TOP1"	""	3	3	NA	""
"620277"	"620277"	"4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline"	"Fc1ccc(cc1)\N=C/c2ccc(cc2)N(CCC#N)CCC#N"	0	""	""	3	2	359414	""
"620278"	"620278"	"3-[N-(2-Cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile"	"COc1ccc(cc1)\N=C/c2ccc(cc2)N(CCC#N)CCC#N"	0	""	""	4	3	359415	""
"620312"	"620312"	"(E)-4-(2,5-Dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid"	"CCOC(=O)\C(=C\c1cc(OC)ccc1OC)\CC(=O)O"	0	""	""	2	1	5387096	""
"620315"	"620315"	"6-Nitro-1-phenyl-9H-pyrido[3,4-b]indole"	"[O-][N+](=O)c1ccc2[nH]c3c(nccc3c2c1)c4ccccc4"	0	""	""	2	2	359450	""
"620317"	"620317"	"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-"	"Nc1ccc2[nH]c3c(nccc3c2c1)c4ccccc4"	0	""	""	2	1	359452	""
"620319"	"620319"	"9H-Pyrido[3,4-b]indol-8-amine, N-(2,4-dinitrophenyl)- 1-..."	"[O-][N+](=O)c1ccc(Nc2cccc3c4ccnc(c5ccccc5)c4[nH]c23)c(c1)[N+](=O)[O-]"	0	""	""	2	1	3406978	""
"620322"	"620322"	"4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine"	"CSc1nc(SC)c2cnn(CC3CO3)c2n1"	0	""	""	2	1	359457	""
"620323"	"620323"	"Methyl (E)-2-acetyl-5-phenylhex-4-enoate"	"COC(=O)C(C\C=C(/C)\c1ccccc1)C(=O)C"	0	""	""	2	1	5387097	""
"620324"	"620324"	"Methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate"	"COC(=O)C(C\C=C(/C)\c1ccc(Cl)cc1)C(=O)C"	0	""	""	2	1	5387098	""
"620325"	"620325"	"Spiro[cyclohexane-1,9'-naphtho[1',2':4,5]furo[2,3-d][1,3..."	"COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3C1C(=O)C=CC2=O"	0	""	""	5	2	359460	""
"620326"	"620326"	"(E)-N-(Oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine"	"C(O\N=C\1/CCCc2ccccc12)C3CO3"	0	""	""	1	1	5932316	""
"620327"	"620327"	"Carbonimidodithioic acid, [5-(4-nitrophenyl)-1,3,4- thia..."	"CSC(=Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-])SC"	0	""	""	4	1	359462	""
"620330"	"620330"	"7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene"	"CN1CCc2c1nc(c3CCN(C)c23)c4ccc(Cl)cc4"	0	""	""	1	1	359465	""
"620333"	"620333"	"2-(6-amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)..."	"Nc1ncnc2c1ncn2C3OC(CSCc4ccc(Cl)cc4)C(O)C3O"	0	""	""	1	1	359468	""
"620358"	"620358"	"Methyl 13-hydroxy-15-oxo-kaurenoate"	"COC(=O)C1(C)CCCC2(C)[C@@H]1CCC34CC(O)(CC[C@@H]23)C(=C)C4=O"	0	""	""	2	2	359473	""
"620462"	"620462"	"NIOSH/BR9826000"	"C[N+](C)(C)CC1CCCCC1=O"	0	""	""	1	1	359483	""
"620465"	"620465"	"2-[(E)-[(2-Hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol"	"COc1cccc(\C=N\C(\N=C\c2cccc(OC)c2O)c3cccc(OC)c3O)c1O"	0	""	""	1	1	135455640	""
"620480"	"620480"	"3-Aza-A-homoandrost-4a-en-4-one, 17-[[[4-[bis(2-chloroet..."	"C[C@]12CCC3[C@@H](CCC4=CC(=O)NCC[C@]34C)C1CC[C@@H]2OC(=O)COc5ccc(cc5)N(CCCl)CCCl"	0	NA	NA	3	3	NA	""
"620487"	"620487"	"3-[18-[3-(Diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide"	"CCN(CC)C(=O)CCC1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)N(CC)CC)c5C)c(C)c4C=C)c(C)c3C=C"	0	""	""	1	1	359506	""
"620514"	"620514"	"1,4-Naphthalenedione, 7-(benzoyloxy)-5-methoxy-"	"COc1cc(OC(=O)c2ccccc2)cc3C(=O)C=CC(=O)c13"	0	""	""	5	4	359531	""
"620515"	"620515"	"1,4-Naphthalenedione, 2-chloro-8-hydroxy-6-methoxy-7-met..."	"COc1cc2C(=O)C=C(Cl)C(=O)c2c(O)c1C"	0	""	""	4	4	359532	""
"620517"	"620517"	"Naphtho[2,1-b]furan-6,9-dione, 7-chloro-1,2-dihydro- 5-h..."	"COC1(C)Cc2c(O1)c(C)c(O)c3C(=O)C(=CC(=O)c23)Cl"	0	""	""	3	3	359534	""
"620520"	"620520"	"1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde"	"O=CC1=CCCC2(C1)OCCO2"	0	""	""	1	1	359537	""
"620569"	"620569"	"(5S)-5-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one"	"CC1CC2OC(=O)CC2C[C@@H]1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	359577	""
"620573"	"620573"	"Bestmann Ylide"	"O=C=C=P(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	359581	""
"620580"	"620580"	"1'-Phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one"	"O=C1OC(C2CC3CC4(CCC3CN12)OCCO4)c5ccccc5"	0	""	""	1	1	359586	""
"620581"	"620581"	"(1'R,8'As)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one"	"O=C1O[C@@H]([C@@H]2CC3(CCN12)OCCO3)c4ccccc4"	0	""	""	1	1	359587	""
"620595"	"620595"	"Bullatacinone"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H](O1)[C@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCC[C@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	1	1	5459112	""
"620616"	"620616"	"Tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate"	"CCOP(=O)(C\C(=C\1/C(=O)C(CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)\O)OCC"	0	""	""	1	1	54676215	""
"620621"	"620621"	"Sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate"	"CCOP(=O)(C\C(=C\1/C(=O)C(CCCNC(=O)OC(C)(C)C)N(Cc2ccc(OC)c(OC)c2)C1=O)\O)OCC"	0	""	""	1	1	54708176	""
"620635"	"620635"	".beta.-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]..."	"COc1ncnc2c(NC3OC(CO)C(O)C3O)ncnc12"	0	NA	NA	2	2	NA	"118515483"
"620674"	"620674"	"[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	"COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(OS(=O)(=O)c3ccc(C)cc3)C(COS(=O)(=O)c4ccc(C)cc4)O1"	0	""	""	1	1	359615	""
"620676"	"620676"	"[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate"	"COC1OC(C)C(OC(=O)C(C)(C)C)C(OS(=O)(=O)c2ccc(C)cc2)C1OS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	359617	""
"620678"	"620678"	"[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate"	"COC1OC(COS(=O)(=O)c2ccc(C)cc2)C(O)C(OS(=O)(=O)c3ccc(C)cc3)C1OS(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	359619	""
"620687"	"620687"	"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate"	"CC1(C)OC2OC(COC(=O)C(c3ccccc3)c4ccccc4)C5OC(C)(C)OC5C2O1"	0	""	""	2	1	359628	""
"620691"	"620691"	"[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate"	"COC1OC(CBr)C(OC(=O)c2ccccc2)C(OS(=O)(=O)c3ccc(C)cc3)C1Br"	0	""	""	1	1	359632	""
"620753"	"620753"	"BCH-189"	"NC1=NC(=O)N(C=C1)C2CSC(CO)O2"	0	NA	NA	11	1	NA	""
"621095"	"621095"	"4-[[1-[3-(4-Fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid"	"OC(=O)c1ccc(cc1)N=NC2C(=O)N(N=C2c3ccccc3)C(=O)CC(=O)Nc4ccc(F)cc4"	0	""	""	1	1	359681	""
"621097"	"621097"	"Citreopyrone B"	"COC1=CC(=O)OC(=C1C)\C=C\C=O"	0	""	""	1	1	5387141	""
"621179"	"621179"	"Spiro[3H-indole-3,2'-oxirane]-2-one, 3'- (4-chlorophenyl..."	"Clc1ccc(cc1)C(=O)C2OC23C(=O)Nc4ccccc34"	0	""	""	3	3	359733	""
"621184"	"621184"	"3'-Benzoylspiro[1H-indole-3,2'-oxirane]-2-one"	"O=C(C1OC12C(=O)Nc3ccccc23)c4ccccc4"	0	""	""	1	1	359738	""
"621191"	"621191"	"2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile"	"Nc1ccc2nc(C(C#N)c3ccccc3)c(C(C#N)c4ccccc4)[n+]([O-])c2c1"	0	""	""	1	1	3556767	""
"621196"	"621196"	"4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1cc(Cl)c2ns[s+]c2c1Cl"	0	""	""	1	1	359752	""
"621197"	"621197"	"Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride"	"CCOC(=N)CC(=O)Nc1cccc(Cl)c1"	0	""	""	1	1	359754	""
"621198"	"621198"	"6-Bromo-1,2,3-benzodithiazol-1-ium;chloride"	"Brc1ccc2ns[s+]c2c1"	0	""	""	2	2	359756	""
"621199"	"621199"	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine"	"[O-][N+](=O)c1ccc(Cl)c(c1)C2CC(=Nc3ccccc3S2)c4cccc5ccccc45"	0	""	""	2	2	359758	""
"621321"	"621321"	""	"[ClH-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"621322"	"621322"	""	"[BrH3-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"621324"	"621324"	""	"[R][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"621325"	"621325"	""	"C=CC[CH2-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"621326"	"621326"	""	"C[S+](C)[CH2-][Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	1	1	NA	""
"621331"	"621331"	""	"COC(=[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8)C.[F-][B+3]([F-])([F-])[F-]"	0	NA	NA	1	1	NA	""
"621332"	"621332"	""	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].[O+]#[N+][Re+]12345(C=S1)([C-]6C2=C3C4=C56)P(c7ccccc7)(c8ccccc8)c9ccccc9"	0	NA	NA	2	2	NA	""
"621334"	"621334"	""	"COC([O-])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	NA	""
"621335"	"621335"	""	"[O-]C(O[Ge](c1ccccc1)(c2ccccc2)c3ccccc3)[Re+]4567([N+]#[O+])([C-]8C4=C5C6=C78)P(c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	1	1	NA	""
"621336"	"621336"	""	"[O-]C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)[Re+]4567([N+]#[O+])([C-]8C4=C5C6=C78)P(c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	2	2	NA	""
"621337"	"621337"	""	"C[Sn](C)(C)OC([O-])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"621339"	"621339"	""	"[R][Pb+2]([R])([R])[Re+]1234([N+]#[O+])([C-]5C1=C2C3=C45)P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	NA	""
"621343"	"621343"	"5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1cc2ns[s+]c2cc1Cl"	0	""	""	2	2	359774	""
"621351"	"621351"	"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	"Fc1ccccc1C2CC(=Nc3ccccc3S2)c4ccc5ccccc5c4"	0	""	""	1	1	359787	""
"621352"	"621352"	"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide"	"[O-][N+](=O)c1ccc(Cl)c(c1)C2CC(=Nc3ccccc3S2=O)c4cccc5ccccc45"	0	""	""	2	2	359788	""
"621353"	"621353"	"Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride"	"CCOC(=N)CC(=O)Nc1cccc(C)c1C"	0	""	""	1	1	359789	""
"621360"	"621360"	"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2)c4ccccc4Cl"	0	""	""	2	2	359799	""
"621364"	"621364"	"STK054077"	"[O-][N+](=O)c1cccc(\C=C\C(=O)c2cccnc2)c1"	0	""	""	2	1	5387156	""
"621365"	"621365"	"4-Methyl-4'-nitrochalcone"	"Cc1ccc(\C=C\C(=O)c2ccc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	5387157	""
"621376"	"621376"	"6-Chloro-1,2,3-benzodithiazol-1-ium;chloride"	"Clc1ccc2ns[s+]c2c1"	0	""	""	3	3	359816	""
"621393"	"621393"	""	"C[C@H]1CC(C)C(O)C(C1)C(O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2"	0	NA	NA	1	1	NA	""
"621456"	"621456"	"2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol"	"NC1=NC(CC(=N1)c2cc(Cl)cc(Br)c2O)c3ccccc3"	0	""	""	3	1	359846	""
"621457"	"621457"	"Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl..."	"Nc1nc(c(Cl)c(n1)c2cc(Cl)ccc2O)c3ccccc3"	0	""	""	3	1	359847	""
"621476"	"621476"	"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one"	"Cc1c(C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	5387180	""
"621486"	"621486"	"Quinoxaline, 3-[3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]-2..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)\C=C\c3ccccc3[N+](=O)[O-])c(C)[n+]2[O-]"	0	""	""	5	2	5351352	""
"621495"	"621495"	"3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Cc1ccc(cc1)c2c(N)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	135406287	""
"621496"	"621496"	"3-Amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide"	"Nc1c(C(=O)Nc2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	135483915	""
"621631"	"621631"	"8-Methoxy-3-prop-2-enylchromen-2-one"	"COc1cccc2C=C(CC=C)C(=O)Oc12"	0	""	""	1	1	359919	""
"621686"	"621686"	"9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride"	"CCN(CC)CCOc1cccc2nc3C4=CC5=C(COC(=O)C5(O)CC)C(=O)N4Cc3cc12"	0	NA	NA	3	3	NA	""
"621719"	"621719"	"3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccc(Cl)cc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	135416920	""
"621720"	"621720"	"3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Cc1cc2c(cc1C)[n+]([O-])c(c(N)[n+]2[O-])c3c(Cl)cccc3Cl"	0	""	""	1	1	135498142	""
"621724"	"621724"	"3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccc(cc2)c3c(N)[n+]([O-])c4ccccc4[n+]3[O-])[n+]([O-])c5ccccc5[n+]1[O-]"	0	""	""	1	1	135484683	""
"621727"	"621727"	"3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine"	"Nc1c(c2ccccc2c3c(N)[n+]([O-])c4ccccc4[n+]3[O-])[n+]([O-])c5ccccc5[n+]1[O-]"	0	""	""	2	1	135496475	""
"621755"	"621755"	"2-(2,4-Dibromophenoxy)-N-ethylacetamide"	"CCNC(=O)COc1ccc(Br)cc1Br"	0	""	""	1	1	360019	""
"621812"	"621812"	"ptmc"	""	0	NA	NA	4	4	NA	""
"621845"	"621845"	"Diclofenac Amide"	"Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23"	0	""	""	1	1	27211	""
"621847"	"621847"	"N-[2-[[2-(2,2-Dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide"	"COc1cccc(NC(=O)C(C)(C)C)c1SSc2c(NC(=O)C(C)(C)C)cccc2OC"	0	""	""	2	1	360049	""
"621854"	"621854"	"2-(2,5-Diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one"	"O=C1C=C(NC1(c2ccccc2)c3cc([nH]c3c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	360056	""
"621855"	"621855"	"2-Phenyl-2-(2-phenyl-1H-indol-3-yl)-1H-indol-3-one"	"O=C1c2ccccc2NC1(c3ccccc3)c4c([nH]c5ccccc45)c6ccccc6"	0	""	""	1	1	360057	""
"621864"	"621864"	"9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one"	"COC12CCC(=O)C=C1c3ccccc3N2C(=O)C"	0	""	""	1	1	360066	""
"621866"	"621866"	"4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid"	"COc1ccc(cc1)C2=CC(=O)c3cc(C)c(C)c(C(=O)O)c3O2"	0	""	""	1	1	360068	""
"621867"	"621867"	"2,3-Dimethyl-9-oxo-10H-acridine-4-carboxylic acid"	"Cc1cc2C(=O)c3ccccc3Nc2c(C(=O)O)c1C"	0	""	""	1	1	360069	""
"621868"	"621868"	"3,5,6-Trimethyl-2H-indazole-7-carboxylic acid"	"Cc1cc2c(C)n[nH]c2c(C(=O)O)c1C"	0	""	""	1	1	360070	""
"621871"	"621871"	"Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate"	"COC(=O)C1=C(O)c2cc(c3ccccc3)c(c4ccccc4)c(C#N)c2NC(=O)C1"	0	""	""	1	1	54676222	""
"621887"	"621887"	"(3E,5E)-1-Methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride"	"CSc1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(SC)cc3)\C2=O)cc1"	0	""	""	1	1	54602249	""
"621888"	"621888"	"Cyclopentanone, 2-[(dimethylamino)methyl]-, hydrochlorid..."	"CN(C)CC1CCCC1=O"	0	NA	NA	4	4	NA	"42746872"
"621889"	"621889"	"Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide"	"C[N+](C)(C)CC1CCCC1=O"	0	""	""	3	3	360085	""
"621967"	"621967"	"5-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine"	"COc1ccc(cc1)C2CC(=NN2)c3sc(Nc4ccc(C)cc4)nc3C"	0	""	""	2	1	360113	""
"621968"	"621968"	"Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate"	"COC(=O)C1=Cc2cn(c3cccc(C(C=C(C)C)N1C(=O)C)c23)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	360114	""
"622004"	"622004"	"Cyclopentane-1,2,3-trione 2-p-methoxyphenylhydrazone"	"COc1ccc(NN=C2C(=O)CCC2=O)cc1"	0	""	""	1	1	135503400	""
"622070"	"622070"	"Propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OC(C)C)C(=O)\C(=C\c3cc(OC)c(OC)c(C)c3OC)\N(Cc4ccccc4)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	5387228	""
"622071"	"622071"	"Propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1ccc(CN2C(=O)C(Cc3cc(OC)c(OC)c(C)c3OC)N(C(=O)OC(C)C)C(=O)/C/2=C/c4cc(OC)c(OC)c(C)c4OC)cc1"	0	""	""	1	1	5387229	""
"622072"	"622072"	"Benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OCc3ccccc3)C(=O)\C(=C\c4cc(OC)c(OC)c(C)c4OC)\N(Cc5ccccc5)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	5387230	""
"622073"	"622073"	"2-Methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate"	"COc1cc(CC2N(C(=O)OCC(C)C)C(=O)\C(=C\c3cc(OC)c(OC)c(C)c3OC)\N(Cc4ccccc4)C2=O)c(OC)c(C)c1OC"	0	""	""	1	1	5387231	""
"622074"	"622074"	"Propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate"	"COc1cc(\C=C\2/[C@@H]3N([C@@H](Cc4c(OC)c(C)c(OC)c(OC)c34)C(=O)N2Cc5ccccc5)C(=O)OC(C)C)c(OC)c(C)c1OC"	0	""	""	1	1	6330788	""
"622075"	"622075"	"Propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carbox"	"COc1ccc(CN2C(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H](N3C(=O)OC(C)C)/C/2=C\c5cc(OC)c(OC)c(C)c5OC)cc1"	0	""	""	1	1	6330789	""
"622076"	"622076"	"2-Methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate"	"COc1cc(\C=C\2/[C@@H]3N([C@@H](Cc4c(OC)c(C)c(OC)c(OC)c34)C(=O)N2Cc5ccccc5)C(=O)OCC(C)C)c(OC)c(C)c1OC"	0	""	""	2	1	6330790	""
"622081"	"622081"	""	"COC(=O)N1[C@H]2Cc3c(OC)c(C)c(OC)c(OC)c3[C@@H]1\C(=C/c4cc(OC)c(OC)c(C)c4OC)\N(Cc5ccccc5)C2=O"	0	NA	NA	1	1	NA	""
"622084"	"622084"	"AG-205/06490006"	"C\C(=N/NS(=O)(=O)c1ccccc1)\c2ccccc2"	0	""	""	2	1	9569840	""
"622093"	"622093"	"Methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate"	"COC(=O)C1=C(O[C@@H]([C@H]1COC(=O)C)c2cc(OC)c(OC)c(OC)c2)c3ccc4OCOc4c3"	0	""	""	1	1	360160	""
"622096"	"622096"	""	"COC(=O)[C@H]1C(c2ccc3OCOc3c2)c4c(OC)c(OC)c(OC)cc4C(=C1C(=O)OC)O"	0	NA	NA	1	1	NA	""
"622106"	"622106"	""	""	0	NA	NA	1	1	NA	""
"622114"	"622114"	""	""	0	NA	NA	4	3	NA	""
"622115"	"622115"	""	""	0	NA	NA	1	1	NA	""
"622124"	"622124"	"Molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu...."	""	0	NA	NA	4	4	NA	""
"622125"	"622125"	""	""	0	NA	NA	2	1	NA	""
"622154"	"622154"	"4-Oxo-1,2,4-trithiolane"	"O=S1CSSC1"	0	""	""	1	1	360183	""
"622155"	"622155"	"8,15-Diisocyano-11(20)-amphilectene"	"CC1C[C@H](CC(C)(C)[N+]#[C-])C2[C@@H]3C1CCC(C)C3(CCC2=C)[N+]#[C-]"	0	""	""	1	1	360184	""
"622170"	"622170"	"Sceptrin"	"Nc1ncc([nH]1)[C@H]2C(CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c4cc(Br)c[nH]4)C2c5cnc(N)[nH]5"	0	NA	NA	1	1	NA	""
"622190"	"622190"	"Benzo[f]quinazoline-7,10-dione, 1-amino-7,10-dihydro-8-m..."	"COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O"	0	""	""	3	2	3711067	"108599322"
"622243"	"622243"	"6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione"	"Cc1nc2C(=O)C3=C(N=C(CBr)NC3=O)C(=O)c2n1C"	0	""	""	1	1	135503402	""
"622281"	"622281"	"4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-"	"CS(=O)C1=CC(=O)c2ccccc2S1"	0	""	""	9	6	360259	"112519514"
"622282"	"622282"	"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-"	"CS(=O)(=O)C1=CC(=O)c2ccccc2S1"	0	""	""	9	8	360260	"112519525"
"622293"	"622293"	"LS-20267"	"CN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c3ccccc13"	0	""	""	2	1	60242	""
"622294"	"622294"	"9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene"	"CCN1CCCC(C1)NCc2c3ccccc3c(CNC4CCCN(CC)C4)c5ccccc25"	0	""	""	2	2	360269	""
"622297"	"622297"	""	"CN(C)CCSc1nccc(n1)c2ccc(s2)c3ccnc(SCCN(C)C)n3"	0	NA	NA	2	2	NA	""
"622299"	"622299"	"Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3ccccc3c2)CCCCC(=O)N1"	0	""	""	1	1	360274	""
"622300"	"622300"	"Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3ccccc3c2)CCCCCN1"	0	""	""	1	1	360275	""
"622304"	"622304"	"Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate"	"CCOC(=O)C(Cc1ccc2ccccc2c1)(Cc3ccc4ccccc4c3)C(=O)C"	0	""	""	1	1	360280	""
"622316"	"622316"	"(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c2ccccc2F"	0	""	""	1	1	5387272	""
"622327"	"622327"	"3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide"	"Clc1cccc(Cl)c1NC(=O)C(=O)C(C#N)c2ccccc2"	0	""	""	2	1	360292	""
"622341"	"622341"	"3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione"	"Cc1cccc(c1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	2	1	360306	""
"622343"	"622343"	"PQ637VI0V3"	"CCOC(=O)C1=C(C)Nc2ccccc2S1"	0	""	""	1	1	360308	""
"622344"	"622344"	"2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid"	"Cc1c(Cl)cccc1NC(=O)\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	1	1	3003998	""
"622348"	"622348"	"2-[(E)-2-(Furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole"	"CC1C(ON2CCCC12)\C=C\c3cocc3"	0	""	""	1	1	5387274	""
"622369"	"622369"	"Dubamine"	"C1Oc2ccc(cc2O1)c3ccc4ccccc4n3"	0	""	""	1	1	360322	""
"622373"	"622373"	"ZB0703"	"Cc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	1	1	360325	""
"622378"	"622378"	"2-Butenoic acid, 2,3-dichloro-4-[(4-methylphenyl)amino]-..."	"Cc1ccc(NC(=O)\C(=C(\Cl)/C(=O)O)\Cl)cc1"	0	NA	NA	1	1	NA	""
"622379"	"622379"	""	"Cc1cc(Cl)ccc1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	NA	NA	1	1	NA	""
"622380"	"622380"	""	"Cc1cccc(C)c1NC(=O)\C(=C(\Cl)/C(=O)O)\Cl"	0	NA	NA	3	2	NA	""
"622381"	"622381"	""	"OC(=O)\C(=C(\Cl)/C(=O)Nc1cccc(Cl)c1)\Cl"	0	NA	NA	3	2	NA	""
"622384"	"622384"	"Fluoroimide"	"Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl"	0	""	""	3	2	93228	""
"622391"	"622391"	""	"Oc1ccc2ccccc2c1C(=O)N\N=C(\CCCC(=O)Nc3cccc(c3)[N+](=O)[O-])/C(C#N)c4nc5ccccc5s4"	0	NA	NA	1	1	NA	""
"622398"	"622398"	"fascaplysine"	"O=C1c2ccccc2[n+]3ccc4c5ccccc5[nH]c4c13"	0	""	""	2	2	73292	""
"622400"	"622400"	"14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene"	"CC12Oc3ccc4ccccc4c3CC1Cc5c(O2)ccc6ccccc56"	0	""	""	1	1	360350	""
"622426"	"622426"	"4,5-Dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	"C1Cc2cn[nH]c2c3ccccc3O1"	0	""	""	2	1	360365	""
"622427"	"622427"	"8-Methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole"	"COc1ccc2c(OCCc3cn[nH]c23)c1"	0	""	""	1	1	360366	""
"622429"	"622429"	"12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene"	"COc1ccc2c(CCCc3cn[nH]c23)c1"	0	""	""	2	1	360368	""
"622453"	"622453"	"1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine"	"CN1CCN(CC1)P2(=S)Oc3ccc4ccccc4c3c5c(O2)ccc6ccccc56"	0	""	""	2	1	360388	""
"622456"	"622456"	"2-(4-Methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine"	"Cc1ccc(cc1)N2Cc3c(OP2(=S)N4CCCC4)ccc5ccccc35"	0	""	""	2	1	360391	""
"622458"	"622458"	"3-(4-Chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide"	"Cc1ccc(cc1)N2Cc3c(OP2(=O)Oc4ccc(Cl)c(C)c4)ccc5ccccc35"	0	""	""	2	1	360393	""
"622459"	"622459"	"8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline"	"O(c1cccc2cccnc12)P34(Oc5cc6ccccc6cc5O3)Oc7cc8ccccc8cc7O4"	0	""	""	2	2	360394	""
"622460"	"622460"	"8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline"	"CC(C)(C)c1ccc2OP3(Oc4cccc5cccnc45)(Oc6ccc(cc6O3)C(C)(C)C)Oc2c1"	0	""	""	2	2	360395	""
"622462"	"622462"	"2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide"	"Clc1ccc(OP2(=O)Oc3cc4ccccc4cc3O2)c(Cl)c1"	0	""	""	2	1	360397	""
"622463"	"622463"	"11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran"	"Cc1c2ccccc2cc3ccc4oc(cc4c13)[N+](=O)[O-]"	0	""	""	1	1	360398	""
"622480"	"622480"	""	"CCCCCCCCCCC\C(=N\O)\c1ccc(O)c2ncccc12"	0	NA	NA	1	1	NA	""
"622482"	"622482"	"11-Nitronoracronycin"	"CN1c2c3C=CC(C)(C)Oc3cc(O)c2C(=O)c4cccc(c14)[N+](=O)[O-]"	0	""	""	1	1	5387300	""
"622488"	"622488"	"3-butoxycarbonyl-3-demethylthiocolchicine"	"CCCCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	4	3	360414	""
"622492"	"622492"	"Methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate"	"COC(=O)C(O)[C@H]1C(C)(C)[C@H](CC2O[C@]34[C@H](O)C(=O)OC(c5cocc5)C3(C)C(CC(C4=C)[C@]12C)OC(=O)C)OC(=O)C"	0	""	""	1	1	360417	""
"622493"	"622493"	".beta.-Cyclodextrin"	""	0	NA	NA	1	1	NA	""
"622494"	"622494"	".beta.-Cyclodextrin"	""	0	NA	NA	1	1	NA	""
"622503"	"622503"	"5,7-Dimethyl-3H-indolizin-4-ium;perchlorate"	"Cc1cc(C)[n+]2CC=Cc2c1"	0	""	""	1	1	13860657	""
"622505"	"622505"	"5-Ethyl-7-methyl-3H-indolizin-4-ium;perchlorate"	"CCc1cc(C)cc2C=CC[n+]12"	0	""	""	1	1	14114373	""
"622570"	"622570"	"N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide"	"Clc1ccc(NC(=O)CCC(=O)CC(=O)\C=C\c2ccccc2)cc1"	0	""	""	1	1	5387303	""
"622575"	"622575"	"Benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate"	"CN(C)\C(=N\C(=S)Nc1ccccc1)\SCc2ccccc2"	0	""	""	1	1	6375381	""
"622577"	"622577"	"(3Z)-1,1-Dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/c2ccccc2)\N1c3ccccc3"	0	""	""	1	1	9569854	""
"622578"	"622578"	"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/S(=O)(=O)c2ccccc2)\N1c3ccccc3"	0	""	""	1	1	9569855	""
"622579"	"622579"	"Carbamimidothioic acid, N,N-dimethyl-N'-[(phenylimino) (..."	"CS\C(=N/c1ccccc1)\N=C(/SCc2ccccc2)\N(C)C"	0	""	""	2	2	9569856	""
"622580"	"622580"	"Dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate"	"CS\C(=N/c1ccccc1)\N(c2ccccc2)c3nc([s+]s3)N(C)C"	0	""	""	1	1	24202068	""
"622582"	"622582"	"(3Z)-3-[(5Z)-4-[4-(Dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc(cc2)N(C)C"	0	""	""	3	2	9569857	""
"622586"	"622586"	"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"COc1ccc(cc1)N2\C(=N\C(=S)N(C)C)\SS/C/2=N\C(=S)N(C)C"	0	""	""	1	1	9569860	""
"622588"	"622588"	"[5-(N-[(Z)-N-(Dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide"	"CS\C(=N/C(=S)N(C)C)\N(c1ccccc1)c2nc(s[s+]2)N(C)C"	0	""	""	1	1	9569862	""
"622589"	"622589"	"(3Z)-3-[(5Z)-4-(1,3-Benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc3OCOc3c2"	0	""	""	1	1	9569863	""
"622590"	"622590"	"3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid"	"CN(C)C(=S)Nc1nnc(NC23CC4CC(CC(C4)C2)C3)s1"	0	""	""	1	1	24202069	""
"622592"	"622592"	"(3Z)-3-[(5Z)-4-Cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1C2CCCCC2"	0	""	""	1	1	9569864	""
"622595"	"622595"	"(3Z)-3-[(5Z)-4-(4-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccc(Cl)cc2"	0	""	""	1	1	9569867	""
"622596"	"622596"	"1,1-dimethyl-5-(2-naphthalenyl)dithiobiuret"	"CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1"	0	""	""	2	2	3004012	""
"622597"	"622597"	"[5-(N-(2-Ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide"	"CCOC(=O)CN(c1ccccc1)c2nc(s[s+]2)N(C)C"	0	""	""	1	1	360463	""
"622598"	"622598"	"Ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate"	"CCOC(=O)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	2	2	9569868	""
"622599"	"622599"	""	"CN(C)C1=N\C(=N\c2ccc3ccccc3c2)\SS1"	0	NA	NA	1	1	NA	""
"622600"	"622600"	"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea"	"CN(C)C(=O)\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	3	2	9569869	""
"622604"	"622604"	"Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate"	"COC(=O)C1=C(SC(=NC(=S)N2CCCCC2)S1)C(=O)OC"	0	""	""	1	1	360472	""
"622606"	"622606"	"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-(dimethylamino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CN(C)N1\C(=N\C(=S)N(C)C)\SS/C/1=N\S(=O)(=O)c2ccccc2"	0	""	""	1	1	9569870	""
"622607"	"622607"	""	"CN(c1ccccc1)c2nc(s[s+]2)N3CCCC3"	0	NA	NA	1	1	NA	""
"622608"	"622608"	"1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N..."	"CN(C)C1=N\C(=N\Cc2occc2)\SS1"	0	""	""	4	2	360474	""
"622611"	"622611"	"N'-[(E)-[(2S)-2-Phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide"	"CC(NC(=O)C(=O)N\N=C\1/C[C@H](Nc2ccccc12)c3ccccc3)c4ccccc4"	0	""	""	1	1	135510060	""
"622613"	"622613"	"3H-Naphtho[1,8-bc]furan-2-carboxylic acid, 4,5-dihydro-6..."	"CCOC(=O)c1oc2ccc(c3CCCc1c23)[N+](=O)[O-]"	0	""	""	4	1	360479	""
"622616"	"622616"	"NCIMech_000091"	"CCOC(=O)CCC1=C(C)c2c(O)cc(O)cc2OC1=O"	0	""	""	2	1	5351353	""
"622624"	"622624"	"1-(1-Adamantyl)-3-[(E)-benzylideneamino]thiourea"	"S=C(N\N=C\c1ccccc1)NC23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	9569873	""
"622626"	"622626"	"GS-2004"	"[O-][N+](=O)c1cc(cc(c1C#N)[N+](=O)[O-])C(F)(F)F"	0	""	""	2	2	360492	""
"622627"	"622627"	"2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene"	"[O-][N+](=O)c1cc(cc(c1CCl)[N+](=O)[O-])C(F)(F)F"	0	""	""	2	2	360493	""
"622645"	"622645"	""	"CS\C(=N/C)\N(C)c1nc(s[s+]1)N(C)C"	0	NA	NA	1	1	NA	""
"622646"	"622646"	""	"CSC(=[N+](C)C)\N=C\1/SS\C(=N\C)\N1C"	0	NA	NA	1	1	NA	""
"622647"	"622647"	"Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide"	"CN(C)c1nc([s+]s1)N2CCOCC2"	0	""	""	1	1	360510	""
"622648"	"622648"	""	"CCSc1nc(s[s+]1)N2CCCC2"	0	NA	NA	3	2	NA	""
"622652"	"622652"	"5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione"	"S=C1SSC(=N1)N2CCCCC2"	0	""	""	1	1	360516	""
"622657"	"622657"	"QDQACASBAIWXJJ-UHFFFAOYSA-N"	"CN(C)C(=O)NC(=S)N(C)C"	0	""	""	1	1	3004018	""
"622666"	"622666"	"4-Methyl-3-nitro-5-(4-nitrophenyl)-4,5-dihydro-6H-pyrazolo[4,3-c][1,2]selenazol-6-one"	"CN1N(C(=O)c2n[se]c(c12)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	360531	""
"622672"	"622672"	""	"CN(C)c1nc([s+]s1)N(C)Cc2ccccc2"	0	NA	NA	1	1	NA	""
"622673"	"622673"	"N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea"	"C\N=C\1/SS\C(=N/C(=S)N(C)C)\N1c2ccccc2"	0	""	""	2	1	9569880	""
"622674"	"622674"	"(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea"	"CCCCN1\C(=N\C(=S)N(C)C)\SS/C/1=N\C(=S)N(C)C"	0	""	""	1	1	5934800	""
"622676"	"622676"	"N-(piperidine-1-carboximidoyl)piperidine-1-carbothioamide"	"N=C(NC(=S)N1CCCCC1)N2CCCCC2"	0	""	""	1	1	9569882	""
"622677"	"622677"	""	"C1CN(CCO1)C2=N\C(=N/c3ccccc3)\SS2"	0	NA	NA	1	1	NA	""
"622680"	"622680"	"N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1c2ccccc2"	0	""	""	1	1	9569883	""
"622687"	"622687"	"N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1C2CCCCC2"	0	""	""	1	1	5907910	""
"622688"	"622688"	"3H-1,2,4-Dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-..."	"CCOC(C\N=C\1/SSC(=N1)N(C)C)OCC"	0	NA	NA	4	3	NA	""
"622689"	"622689"	""	"CN(C)C1=N\C(=N\c2cccc(Cl)c2)\SS1"	0	NA	NA	1	1	NA	""
"622690"	"622690"	""	"CN(C)C1=N\C(=C/2\C=C(C)N=C2C)\SS1"	0	NA	NA	1	1	NA	""
"622691"	"622691"	"Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazoli..."	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2occc2"	0	""	""	3	2	5836849	""
"622693"	"622693"	"1,1-dimethyl-3-(methylcarbamothioyl)thiourea"	"CNC(=S)NC(=S)N(C)C"	0	""	""	1	1	3004022	""
"622696"	"622696"	"Thioperoxydicarbonic diamide, tetramethyl-"	"CN(C)C(=S)SSC(=S)N(C)C"	0	NA	NA	3	3	NA	""
"622698"	"622698"	"[(E)-1-(3,4-Dimethylphenyl)ethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc(C)c(C)c1"	0	""	""	1	1	9569886	""
"622700"	"622700"	"Methanaminium, (2-oxo-1,3-cyclohexanediyl)bis(methyl)bis..."	"C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O"	0	""	""	5	4	360569	""
"622701"	"622701"	"[(E)-1-(2,4-Dimethylphenyl)ethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc(C)cc1C"	0	""	""	1	1	9569887	""
"622726"	"622726"	"(2E)-5-Methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	"CN1C(=O)C\C(=C/C(=O)C)\Nc2ccccc12"	0	""	""	1	1	5387358	""
"622727"	"622727"	"(2E)-5-Ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one"	"CCN1C(=O)C\C(=C/C(=O)C)\Nc2ccccc12"	0	""	""	2	1	5387359	""
"622732"	"622732"	"NCIMech_000330"	"Cn1ncc2cc3c(Nc4ccc(Cl)cc4)cccc3nc12"	0	""	""	1	1	360580	""
"622759"	"622759"	"[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate"	"COC1=NC(=C(\N=C(/C)\C(=O)C)C(=O)N1C)NC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	360584	""
"622761"	"622761"	"[4,5-Diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate"	"CSC1=NC(=C(\N=C(/C)\C(=O)C)C(=O)N1)NC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	135463879	""
"622769"	"622769"	"Pyrimidine-5,6-diamine, N(5),N(5')- (1,2-ethanediylidene..."	"CSC1=NC(=C(\N=C\C=N\C2=C(NC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N=C(SC)N(C)C2=O)C(=O)N1C)NC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C"	0	NA	NA	5	2	NA	""
"622774"	"622774"	"W-204029"	"COC1=Nc2[nH]ccc2C(=O)N1"	0	""	""	1	1	135474991	""
"622776"	"622776"	"N-(4-Amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide"	"COC1=NC(=C(NC(=O)C)C(=O)N1C)N"	0	""	""	1	1	360601	""
"622809"	"622809"	"4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide"	"O=C1CCCn2c3ccccc3c4ccnc1c24"	0	""	""	2	1	360605	""
"622811"	"622811"	"Apigenin 7-O-"	"OC1C(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)OC(C(O)C1O)C(=O)O"	0	""	""	1	1	5387370	""
"622918"	"622918"	"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide"	"[O-][N+](=O)c1ccccc1C(=O)Nc2ccc3[nH]c4c(nccc4c3c2)c5ccccc5"	0	""	""	1	1	3809354	""
"622919"	"622919"	"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide"	"[O-][N+](=O)c1ccccc1C(=O)Nc2cccc3c4ccnc(c5ccccc5)c4[nH]c23"	0	""	""	1	1	4435439	""
"622920"	"622920"	"6-(1-Benzofuran-2-yl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile"	"CSC1=C(C#N)C(=O)OC(=C1)c2oc3ccccc3c2"	0	""	""	1	1	360615	""
"622921"	"622921"	"6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxo-2H-pyran-3-carbonitrile"	"CC1CCN(CC1)C2=C(C#N)C(=O)OC(=C2)c3oc4ccccc4c3"	0	""	""	1	1	360616	""
"622924"	"622924"	"6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)-2H-pyran-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)O2)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	360619	""
"622926"	"622926"	"4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)O2)N3CCN(CC3)c4ccc(Cl)cc4"	0	""	""	1	1	360621	""
"622930"	"622930"	"(Z)-N-(Oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine"	"C(O\N=C/1\CCCCc2ccccc12)C3CO3"	0	""	""	1	1	6288461	""
"622931"	"622931"	"2-[(5-Chloro-8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid"	"CC(SC1=CC(=O)c2c(Cl)ccc(O)c2C1=O)C(=O)O"	0	""	""	1	1	360626	""
"622932"	"622932"	"2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid"	"CC(SC1=CC(=O)c2c(O)ccc(O)c2C1=O)C(=O)O"	0	""	""	2	1	360627	""
"622934"	"622934"	"Ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate"	"CCOC(=O)\C=C(/C)\c1ccc(C)cc1C"	0	""	""	1	1	5387373	""
"622936"	"622936"	"4-Amino-1-[(2-hydroxyethoxy)methyl]-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one"	"NC1=NC(=O)Nc2c1cnn2COCCO"	0	""	""	1	1	135503407	""
"622937"	"622937"	"4-Amino-1-benzyl-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one"	"NC1=NC(=O)Nc2c1cnn2Cc3ccccc3"	0	""	""	2	1	135478196	""
"622938"	"622938"	"2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol"	"CCCCCCCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23"	0	""	""	1	1	360632	""
"622939"	"622939"	"Methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate"	"COC1=CC(=C(C#N)\C(=N/c2ccccc2)\SC)C=C(OC)C1=O"	0	""	""	1	1	360633	""
"622946"	"622946"	"Hypericin"	"Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c56"	0	NA	NA	2	2	NA	""
"622958"	"622958"	"3-{2-[4,6-Bis(trifluoromethyl)pyrimidin-2(5h)-ylidene]hydrazinyl}-5,6-diphenyl-1,2,4-triazine"	"FC(F)(F)C1=NC(=NNc2nnc(c3ccccc3)c(n2)c4ccccc4)N=C(C1)C(F)(F)F"	0	""	""	2	2	360651	""
"622983"	"622983"	"1,2'-Spirobiindane-1',3'-dione"	"O=C1c2ccccc2C(=O)C13CCc4ccccc34"	0	""	""	1	1	360665	""
"622984"	"622984"	"Spiro(3-cyclopentene-1,1'-indane)-2,5-dione, 3-bromo-"	"BrC1=CC(=O)C2(CCc3ccccc23)C1=O"	0	""	""	4	4	360666	""
"622985"	"622985"	"Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione"	"O=C1C=CC(=O)C12CCc3ccccc23"	0	""	""	2	1	360667	""
"622990"	"622990"	"(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate"	"CC(=O)Oc1cc(OC(=O)C)c(OC(=O)C)c2CC3C(Cc12)C(=O)C4(CCc5ccccc45)C3=O"	0	""	""	1	1	360672	""
"623017"	"623017"	"An Antifol"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	"Df"	""	2	2	NA	""
"623038"	"623038"	"3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide"	"CCc1cccc(C)c1NC(=O)C(=O)Cc2nc3ccccc3s2"	0	""	""	1	1	360702	""
"623078"	"623078"	"(8E)-3,5a,9-Trimethyl-8-(phenylimino)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one"	"CC1C2CCC3(C)C=C\C(=N/c4ccccc4)\C(=C3C2OC1=O)C"	0	""	""	2	1	360739	""
"623081"	"623081"	"14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide"	"CC(C)(C)c1ccc2OCCOCCOCCOc3ccc(cc3S(=O)(=O)Nc4cc(Cl)ccc4NS(=O)(=O)c2c1)C(C)(C)C"	0	""	""	1	1	360742	""
"623082"	"623082"	"2,2'-[Oxybis(ethane-2,1-diyloxy)]bis(5-tert-butylbenzenesulfonamide)"	"CC(C)(C)c1ccc(OCCOCCOc2ccc(cc2S(=O)(=O)N)C(C)(C)C)c(c1)S(=O)(=O)N"	0	""	""	1	1	360743	""
"623084"	"623084"	"5-Tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide"	"CC(C)(C)c1ccc(OCCOCCOc2ccc(cc2S(=O)(=O)Nc3ccc(cc3)[N+](=O)[O-])C(C)(C)C)c(c1)S(=O)(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	360745	""
"623087"	"623087"	"N-[2-[3-[2-(Ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccccc1C2=NNC(=NC2=O)SCC(=O)NC(=O)NC=C"	0	""	""	1	1	135416967	""
"623089"	"623089"	"N-[2-(2,4-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide"	"CN1N=C(C(=O)N(C)C1=S)c2ccccc2NC(=O)C(F)(F)F"	0	""	""	1	1	360750	""
"623092"	"623092"	"N-[2-[2,4-Bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)Nc1ccccc1C2=NN(C(=S)NC=C)C(=S)N(C(=S)NC=C)C2=O"	0	""	""	1	1	3000332	""
"623093"	"623093"	"NCIMech_000199"	"FC(F)(F)C(=O)Nc1ccccc1C2=NN(C(=S)Nc3ccccc3)C(=S)N(C(=S)Nc4ccccc4)C2=O"	0	""	""	2	1	3001564	""
"623094"	"623094"	"3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-"	"FC(F)(F)C(=O)n1c2ccccc2c3nnc(S)nc13"	0	""	""	1	1	3000333	""
"623122"	"623122"	"[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate"	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COP(=O)(O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC"	0	""	""	1	1	360773	""
"623128"	"623128"	"14-Fluoro-4-demethoxydaunorubicin"	"CC1OC(CC(N)C1O)OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CF"	0	""	""	3	3	6711360	""
"623132"	"623132"	"4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine"	"C1CC(Sc2ccccc2)C(Sc3ccccc3)c4ccccc4S1"	0	""	""	1	1	360777	""
"623137"	"623137"	"LS-40021"	"Fc1ccc2c(c1)cc3ccc4cccc5ccc2c3c45"	0	""	""	1	1	51254	""
"623138"	"623138"	"LS-40023"	"Fc1cccc2cc3ccc4cccc5ccc(c12)c3c45"	0	""	""	1	1	52859	""
"623158"	"623158"	"[Chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate"	"CN(C)c1ccc(\C=N\N=C(\S[Sn](Cl)(c2ccccc2)c3ccccc3)/C#N)cc1"	0	""	""	1	1	9569898	""
"623164"	"623164"	"1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene"	"COc1cc2C(Cl)C(=C(Cl)c2cc1OC)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	360783	""
"623166"	"623166"	"2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene"	"COc1cc2C(Cl)C(=C(Cl)c2cc1OC)c3ccc(Br)cc3"	0	""	""	3	1	360785	""
"623172"	"623172"	"(E)-3-Chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal"	"CCOc1ccc(cc1)\C(=C(/Cl)\c2ccc(OC)cc2)\C=O"	0	""	""	2	2	5387393	""
"623173"	"623173"	"(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(F)cc2)\Cl"	0	""	""	1	1	5387394	""
"623175"	"623175"	"(E)-3-Chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal"	"COc1ccc(cc1)\C(=C(/C=O)\c2ccc(cc2)[N+](=O)[O-])\Cl"	0	""	""	2	2	5387396	""
"623176"	"623176"	"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(cc2)[N+](=O)[O-])\Cl"	0	""	""	2	2	5387397	""
"623178"	"623178"	"(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Cl)c(Cl)c2)\Cl"	0	""	""	1	1	5387399	""
"623180"	"623180"	"(E)-2-(4-Bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccc(Br)cc2)\Cl"	0	""	""	2	1	5387401	""
"623229"	"623229"	"N-[(E)-[4-[(E)-(Benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide"	"O=S(=O)(N\N=C\c1ccc(\C=N\NS(=O)(=O)c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	9569900	""
"623234"	"623234"	"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2cc(OC)c(OC)c(OC)c2)\Cl"	0	""	""	2	1	5387416	""
"623283"	"623283"	""	""	0	NA	NA	1	1	NA	""
"623310"	"623310"	"Prostratin"	"CC1CC2(OC(=O)C)C([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)C13O)C2(C)C"	0	NA	NA	2	2	NA	"60857081"
"623315"	"623315"	""	"CC(=O)OC1CC2[NH2+][Pt+2]([ClH-])([ClH-])[NH2+]C2CC1OC(=O)C"	0	NA	NA	1	1	NA	""
"623318"	"623318"	""	"OC1CCC2[NH2+][Pt+2]([ClH-])([ClH-])[NH2+][C@@H]2C1"	0	NA	NA	1	1	NA	""
"623319"	"623319"	""	"[Cl-][Pt+2]1([Cl-])N[C@@H]2C[C@H](O)CCC2N1"	0	NA	NA	1	1	NA	""
"623433"	"623433"	"OVB3-PE"	""	0	NA	NA	2	2	NA	""
"623435"	"623435"	"IL6-PE40"	""	0	NA	NA	2	1	NA	""
"623436"	"623436"	"TGF.alpha.-PE40"	""	0	NA	NA	2	2	NA	""
"623452"	"623452"	"1,3-Dimethyl-10-phenyl-5,10-dihydrophenophosphazinine"	"Cc1cc(C)c2P(c3ccccc3)c4ccccc4Nc2c1"	0	""	""	1	1	360852	""
"623519"	"623519"	"Dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate"	"COC(=O)[C@@]12ON=C3CC[C@H](OCc4ccccc4)[C@@H](C5OC(C)(C)OC5C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	1	1	360858	""
"623520"	"623520"	"Dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate"	"COC(=O)[C@@]12ON=C3CC[C@H](OCc4ccccc4)[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	2	2	360859	""
"623521"	"623521"	"Dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate"	"COC(=O)[C@@]12ON=C3CCC(OCc4ccccc4)[C@@H]([C@@H]5OC(C)(C)O[C@@H]5C1O[Si](C)(C)C(C)(C)C)[C@@]23C(=O)OC"	0	""	""	1	1	360860	""
"623527"	"623527"	"Pyrrolidinium, N-(5-carboxypentyl)-N- [2-[2-[3-(octadecy..."	"CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCCCC(=O)O)CCCC1)Oc2ncccn2"	0	""	""	4	3	360861	"129655067"
"623560"	"623560"	"1,3-Benzodithiol-2-yl 2-methylpropyl ether"	"CC(C)COC1Sc2ccccc2S1"	0	""	""	1	1	360877	""
"623586"	"623586"	"Diethyl 3-aminothieno[3,2-a]indolizine-2,9-dicarboxylate"	"CCOC(=O)c1sc2c(C(=O)OCC)n3ccccc3c2c1N"	0	""	""	2	1	360880	""
"623596"	"623596"	"4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide"	"CN1C(=N)N=[N+]([O-])c2ccccc12"	0	""	""	1	1	360889	""
"623599"	"623599"	"4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide, hydroch..."	"CN1C(=N)N=[N+]([O-])c2ccccc12"	0	NA	NA	2	2	NA	""
"623600"	"623600"	"7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,2,4-benzo tria..."	"CCN(CC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(=O)C"	0	""	""	1	1	135503408	""
"623606"	"623606"	"7-Nitro-1,2,4-benzotriazin-3-amine-1,4-dioxide"	"Nc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	1	1	135427573	""
"623619"	"623619"	"Sulfoquinovoside"	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC"	0	NA	NA	1	1	NA	""
"623626"	"623626"	"1-[(E)-Benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea"	"S=C(N\N=C\c1ccccc1)NC2CC(Oc3ccccc23)c4ccccc4"	0	""	""	1	1	9569902	""
"623633"	"623633"	"3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl triphenylphospho..."	"[Cl-].[Cl-].O=C(CSc1nnc[nH]1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"623636"	"623636"	"1,4-Benzoquinone, 2-bromo-5-methoxy-"	"COC1=CC(=O)C(=CC1=O)Br"	0	""	""	1	1	360922	""
"623637"	"623637"	"Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)metho..."	"COC(=O)c1ccccc1OCC2=CC(=O)Oc3ccc(C)cc23"	0	""	""	2	1	360923	""
"623639"	"623639"	"cyclopentanone, 2,5-bis[(trimethylamino)methyl]-, iodide"	"C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=O"	0	""	""	4	3	360925	""
"623650"	"623650"	"Chloro-[(1-nitrocyclohexyl)methyl]mercury"	"[O-][N+](=O)C1(CCCCC1)[CH-][Hg+2][ClH-]"	0	""	""	2	2	498301	""
"623654"	"623654"	"Mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy..."	"CC(C)(C)C1CCC(CC1)([CH-][Hg+2][ClH-])[N+](=O)[O-]"	0	""	""	3	3	498302	""
"623660"	"623660"	""	"COC1OC2=CCC3C(C2[C@H](OCc4ccccc4)C1OCc5ccccc5)C(=O)NC3=O"	0	NA	NA	1	1	NA	""
"623712"	"623712"	"1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-"	"ClC1c2ccccc2C3(OOC1(O3)c4ccccc4)c5ccccc5"	0	""	""	1	1	360981	""
"623723"	"623723"	"3-[(3,5-Dichlorobenzyl)(methyl)amino]-1,2-diphenylpropan-1-one"	"CN(CC(C(=O)c1ccccc1)c2ccccc2)Cc3cc(Cl)cc(Cl)c3"	0	""	""	2	2	360991	""
"623725"	"623725"	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide"	"CC1=C(Sc2ccccc2N1)C(=O)CC(=O)C(=O)Nc3ccccc3C(F)(F)F"	0	""	""	1	1	360993	""
"623731"	"623731"	""	"Clc1ccc(Cl)c(c1)N2C(=O)C(=O)C(\C(=N/NC(=O)CC#N)\C2=O)c3nc4ccccc4s3"	0	NA	NA	1	1	NA	""
"623753"	"623753"	"STK021220"	"CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1"	0	""	""	1	1	55294	""
"623757"	"623757"	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide"	"CCOc1ccccc1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	361023	""
"623758"	"623758"	"Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-methylphenyl)amino]-"	"Cc1ccccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	3	2	361024	""
"623761"	"623761"	"Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-chloro-4- methyl)..."	"Cc1cc(Cl)ccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	3	2	361027	""
"623765"	"623765"	"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]amino]-2-hydroxybenzamide"	"Oc1ccccc1C(=O)N\N=C/2\C(C(=O)C(=O)N(C2=O)c3nccs3)c4nc5ccccc5s4"	0	""	""	1	1	9555785	""
"623768"	"623768"	""	"Cc1ccc(C)c(c1)N2C(=O)C(=O)C(\C(=N/NC(=O)c3ccccc3O)\C2=O)c4oc5ccccc5n4"	0	NA	NA	1	1	NA	""
"623772"	"623772"	"4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone"	"Cc1cccc(N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3)c1C"	0	""	""	1	1	361038	""
"623773"	"623773"	"DA-09193"	"CCOC(=O)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F"	0	""	""	1	1	361039	""
"623785"	"623785"	"Artemisetene"	"CC1CCC2C(=C)C(=O)O[C@@H]3OC4(C)CCC1C23OO4"	0	""	""	2	2	361042	""
"623794"	"623794"	"1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1- benzopyra..."	"O=C(NCc1cccnc1)C2COc3cc(ccc3O2)C4=CC(=O)c5ccccc5O4"	0	""	""	3	3	361051	""
"623870"	"623870"	"2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cccc4ccccc34)C(=O)Nc5ccccc5"	0	""	""	1	1	361066	""
"623872"	"623872"	"Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate"	"COC(=O)CCC(=O)Nc1ccc(Cl)cc1C"	0	""	""	2	2	361068	""
"623873"	"623873"	"N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide"	"Cc1cccc(C)c1NC(=O)C2C(=O)N(C(=O)/C/2=N\N)c3c(C)cccc3C"	0	""	""	1	1	6105822	""
"623878"	"623878"	""	"CCOc1ccc(NC(=O)\C(=C/c2ccc(C)cc2)\C(=O)C)cc1"	0	NA	NA	1	1	NA	""
"623879"	"623879"	"3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3occc3)C(=O)Nc4ccccc4OC)C"	0	""	""	3	2	361074	""
"623881"	"623881"	"3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3ccc(cc3)C(C)C)C(=O)Nc4ccccc4OC)C"	0	""	""	1	1	361076	""
"623885"	"623885"	"STK537384"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccccc3Cl)C(=O)Nc4ccccc4"	0	""	""	1	1	361080	""
"623897"	"623897"	"N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccc(OC)c(NC(=O)C2=C(C)NC(=C(C2c3ccccc3)C(=O)Nc4cc(OC)ccc4OC)C)c1"	0	""	""	1	1	361092	""
"623902"	"623902"	""	"[O-][N+](=O)c1cccc(\C=C(\NC(=O)c2ccccc2)/c3nc4cc(Cl)ccc4[nH]3)c1"	0	NA	NA	1	1	NA	""
"623905"	"623905"	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc1"	0	NA	NA	1	1	NA	""
"623919"	"623919"	"[5-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-4-yl]methyl methylcarbamate"	"CNC(=O)OCc1nc(SC)n(C)c1CO"	0	""	""	2	1	361110	""
"623925"	"623925"	"[2-(Tert-butyldisulfanyl)-1-methyl-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)"	"CNC(=O)OCc1nc(SSC(C)(C)C)n(C)c1COC(=O)NC"	0	""	""	5	4	361115	""
"623950"	"623950"	"ANTINEOPLASTIC-623950"	"O=C1N(CCNCCNCCNCCN2C(=O)c3cccc4cc5ccccc5c(C2=O)c34)C(=O)c6c7ccccc7cc8cccc1c68"	0	""	""	2	1	361120	""
"623951"	"623951"	"15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-d"	"O=C1N(CCNCCN2C(=O)c3cccc4cc5ccccc5c(C2=O)c34)C(=O)c6c7ccccc7cc8cccc1c68"	0	""	""	2	2	361122	""
"623953"	"623953"	"15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride"	"CN(C)CCNc1c2ccccc2c3C(=O)N(CCN(C)C)C(=O)c4cccc1c34"	0	""	""	2	1	361124	""
"623954"	"623954"	"2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride"	"CN(C)CCNc1c(cc2C(=O)N(CCN(C)C)C(=O)c3cccc1c23)[N+](=O)[O-]"	0	""	""	2	1	361126	""
"623955"	"623955"	""	"OC(=O)C1Cc2c(C=N1)[nH]c3ccccc23"	0	NA	NA	2	1	NA	""
"623958"	"623958"	"Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate"	"CCOC(=O)C(=CNC(Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)OCC"	0	""	""	1	1	361132	""
"623959"	"623959"	"Harman-3-carbonsaure"	"CC1=NC(Cc2c1[nH]c3ccccc23)C(=O)O"	0	""	""	1	1	189011	""
"623968"	"623968"	"[(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone"	"O=S(=O)(C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	5387479	""
"623970"	"623970"	"1-[2-(2,4-Dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C(=C)C(=C)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	361138	""
"623978"	"623978"	"2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane"	"Brc1ccc(cc1)C2CC3(ON2CC3S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	361146	""
"623981"	"623981"	"methylene(phenyl)[?]"	"C=C1C2ON(C1c3ccccc3O2)c4ccccc4"	0	""	""	1	1	361149	""
"623984"	"623984"	"Methyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2-carboxylate"	"COC(=O)C1=CC2OC1(C)C3(CC3)C2=O"	0	""	""	1	1	361152	""
"623988"	"623988"	"5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole"	"O=S(=O)(c1ccccc1)C2(CCN=N2)C3(CCN=N3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	361156	""
"623989"	"623989"	"1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane"	"O=S(=O)(C1CN(Cc2ccccc2)CCN(Cc3ccccc3)C1)c4ccccc4"	0	""	""	2	2	361157	""
"623990"	"623990"	""	"[I-].C=C(CS(=O)(=O)c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"623993"	"623993"	"2,2-Dichlorocyclopropyl 4-methylphenyl sulfone"	"Cc1ccc(cc1)S(=O)(=O)C2CC2(Cl)Cl"	0	""	""	1	1	361162	""
"624053"	"624053"	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-"	"COc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	361181	""
"624114"	"624114"	"C18281"	"O=C1Oc2c(C=C1)cc3ccc4cccc5ccc2c3c45"	0	""	""	1	1	361185	""
"624153"	"624153"	""	"Cc1ccc(SSCC(O)C(O)CSSc2ccc(C)cc2)cc1"	0	NA	NA	1	1	NA	""
"624157"	"624157"	"[1-Oxo-5-(p-tolylsulfonyloxy)dithian-4-yl] 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	361194	""
"624158"	"624158"	"Benzenesulfonothioic acid, 4-methyl-,2-butene-1,4-diyl e..."	"Cc1ccc(cc1)S(=O)(=O)SC\C=C/CSS(=O)(=O)c2ccc(C)cc2"	0	""	""	4	4	5351357	"111238610"
"624162"	"624162"	"JZSROASPVXWQLK-UHFFFAOYSA-N"	"O=S1Cc2ccccc2CSS1"	0	""	""	1	1	361198	""
"624165"	"624165"	""	"OS(=O)CCCCSSCc1ccccc1CSSCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624166"	"624166"	""	"NCCCNCCSSCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624167"	"624167"	""	"NCCSSC\C=C/CSSCCN"	0	NA	NA	2	1	NA	""
"624170"	"624170"	""	"NCCCNCCSSC\C=C/CSSCCNCCCN"	0	NA	NA	1	1	NA	""
"624171"	"624171"	""	"NCCCNCCSSC\C=C/CSSCCNCCCN"	0	NA	NA	1	1	NA	""
"624172"	"624172"	""	"NCCCNCCSSCc1ccccc1CSSCCNCCCN"	0	NA	NA	1	1	NA	""
"624187"	"624187"	"2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate"	"COS(=O)CCOC(=O)c1ccccc1SSc2ccccc2C(=O)OCCS(=O)OC"	0	""	""	1	1	361230	""
"624190"	"624190"	""	"Cc1ccc(SSCCCCCS(=O)O)cc1"	0	NA	NA	1	1	NA	""
"624191"	"624191"	""	"OS(=O)CCCCCSSc1ccccc1"	0	NA	NA	1	1	NA	""
"624192"	"624192"	""	"OS(=O)CCCCCSSSCCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624195"	"624195"	""	"Cc1ccc(SSCCCS(=O)O)cc1"	0	NA	NA	1	1	NA	""
"624199"	"624199"	""	"Cc1ccc(SSCCCCS(=O)O)cc1"	0	NA	NA	1	1	NA	""
"624201"	"624201"	""	"[Na+].OS(=O)CCCCSSCCCCS(=O)(=O)S"	0	NA	NA	1	1	NA	""
"624202"	"624202"	""	"OC(CSSCCCCS(=O)O)C(O)CSSCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624203"	"624203"	""	"OC(CSSCCCCS(=O)O)C(O)CSSCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624205"	"624205"	""	"OS(=O)CCCCSSCCCCSSCCCCS(=O)O"	0	NA	NA	1	1	NA	""
"624206"	"624206"	"C19H33Cl2NS2"	"CCCCCCCCCCNCCSSCc1ccc(Cl)cc1"	0	""	""	1	1	361263	""
"624208"	"624208"	"2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one"	"CCOCC1=CC(=O)c2c(O)cc3OC(C)(C)CCc3c2O1"	0	""	""	1	1	361266	""
"624213"	"624213"	"2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one"	"CC1(C)CCc2cc3C(=O)CC(C)(C)Oc3cc2O1"	0	""	""	1	1	361271	""
"624221"	"624221"	"2-Cyclohexylphenyl phenylcarbamate"	"O=C(Nc1ccccc1)Oc2ccccc2C3CCCCC3"	0	""	""	1	1	361278	""
"624227"	"624227"	"4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene"	"Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1"	0	""	""	1	1	361284	""
"624229"	"624229"	""	"Cc1ccc(Oc2ccccc2N)cc1"	0	NA	NA	1	1	NA	""
"624233"	"624233"	"2NO2Ph-S-4MeOPh"	"COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1"	0	""	""	1	1	361291	""
"624239"	"624239"	"Polyethylene Glycol L-Asparaginase"	""	0	NA	NA	1	1	NA	""
"624280"	"624280"	"5-[D-manno-pentitol-1-yl]tetrazole"	"OCC(O)C(O)C(O)C(O)c1nnn[nH]1"	0	NA	NA	1	1	NA	""
"624285"	"624285"	"Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- nitro..."	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(c2)[N+](=O)[O-]"	0	""	""	4	3	361311	""
"624350"	"624350"	""	"CC(C)C1CC[C@@H](C)C[C@@]1(O)CC(=O)N"	0	NA	NA	1	1	NA	""
"624351"	"624351"	"N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine"	"C(C\N=C\c1cccc2ccccc12)\N=C\c3cccc4ccccc34"	0	""	""	1	1	361325	""
"624352"	"624352"	"12-Methylidene-7-methylsulfonyltricyclo[6.3.1.02,7]dodecan-2-ol"	"CS(=O)(=O)C12CCCCC1(O)C3CCCC2C3=C"	0	""	""	1	1	361326	""
"624358"	"624358"	"Tricyclo[4.4.0.0(2,7)]decane-5-one, 4,4-dibromo-2-methyl-"	"CC12CC(Br)(Br)C(=O)C3C1CCCC23"	0	""	""	5	3	361332	""
"624379"	"624379"	""	"CC1(C)[C@@H](O)CC[C@]2(C)C(=O)CCC=C12"	0	NA	NA	1	1	NA	""
"624384"	"624384"	"4-Oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid"	"OC(=O)C1CCC(=O)C2=C1CCCC2"	0	""	""	3	1	361358	""
"624392"	"624392"	"Ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCO)CCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	2	1	361366	""
"624401"	"624401"	"2-Hydroxy-3-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one"	"COc1ccc(cc1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3ccc4cccnc4c3O"	0	""	""	1	1	361375	""
"624404"	"624404"	""	"[Na+].CC(C)C1=CC(=O)C(=C(C=C1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3ccc(OCC(=O)O)cc3)O"	0	NA	NA	1	1	NA	""
"624406"	"624406"	"5,7-Dihydroxy-6-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-phenylchromen-4-one"	"COc1ccc(cc1)C(C2=C(O)C(=O)C=C(C=C2)C(C)C)c3c(O)cc4OC(=CC(=O)c4c3O)c5ccccc5"	0	""	""	1	1	361382	""
"624409"	"624409"	"5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC1CC2C(C(=O)NC2=O)c3[nH]c4ccccc4c13"	0	""	""	1	1	361385	""
"624411"	"624411"	"12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"O=C1c2ccccc2C(=O)c3c1ccc4c5ccccc5n(Cc6ccccc6)c34"	0	""	""	1	1	361387	""
"624412"	"624412"	"1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole"	"CC(C)(c1cn(Cc2ccccc2)c3ccccc13)c4cn(Cc5ccccc5)c6ccccc46"	0	""	""	1	1	361388	""
"624414"	"624414"	"4-Amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide"	"Nc1ccc(cc1)C(=O)N\C(=C/c2cccc(c2)[N+](=O)[O-])\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3"	0	""	""	1	1	5387512	""
"624417"	"624417"	"4-Amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide"	"Nc1ccc(cc1)C(=O)N\C(=C/c2ccc3OCOc3c2)\c4nc5ccc6C(=O)c7ccccc7C(=O)c6c5[nH]4"	0	""	""	1	1	135429947	""
"624418"	"624418"	"N-[(Z)-1-(6,11-Dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide"	"[O-][N+](=O)c1cccc(\C=C(/NC(=O)c2ccccc2)\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3)c1"	0	""	""	1	1	5387516	""
"624419"	"624419"	""	"Oc1nc(S)nc2[nH]c(nc12)\C(=C\c3cc(Cl)ccc3Cl)\NC(=O)c4ccccc4"	0	NA	NA	2	1	NA	""
"624420"	"624420"	"Benzamide, 4-amino-N-[2-(3-nitrophenyl)-1- (2-thio-6-hyd..."	"Nc1ccc(cc1)C(=O)N\C(=C/c2cccc(c2)[N+](=O)[O-])\c3nc4c(O)nc(S)nc4[nH]3"	0	""	""	4	2	11979426	""
"624426"	"624426"	"Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anth..."	"Nc1ccc(cc1)C(=O)N\C(=C/C=C/c2occc2)\c3nc4c5C(=O)c6ccccc6C(=O)c5ccc4[nH]3"	0	""	""	1	1	5387523	""
"624431"	"624431"	"Benzamide, N-[1-(6,11-dihydro-6,11-dioxo-1H-anthra[1,2-d..."	"COc1cc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc(OC)c1OC"	0	""	""	1	1	135429949	""
"624432"	"624432"	"N-[(Z)-2-(4-Acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide"	"CC(=O)Nc1ccc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccc5C(=O)c6ccccc6C(=O)c5c4[nH]3)cc1"	0	""	""	1	1	135429950	""
"624433"	"624433"	""	"Clc1ccc2[nH]c(nc2c1)\C(=C\c3ccc(\C=C(/NC(=O)c4ccccc4)\c5nc6cc(Cl)ccc6[nH]5)cc3)\NC(=O)c7ccccc7"	0	NA	NA	1	1	NA	""
"624434"	"624434"	""	"CC(=O)N\C(=C/c1ccc(\C=C(/NC(=O)C)\C2=NC3C(N2)C(=O)c4ccccc4C3=O)cc1)\C5=NC6C(N5)C(=O)c7ccccc7C6=O"	0	NA	NA	1	1	NA	""
"624439"	"624439"	"Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dio..."	"CC(=O)N\C(=C/c1cccc(c1)[N+](=O)[O-])\c2nc3ccc4C(=O)c5ccccc5C(=O)c4c3[nH]2"	0	""	""	2	1	5387535	""
"624474"	"624474"	"6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide"	"Cc1cccc(C)c1NC(=O)CCCC(=O)C(C#N)c2ccccc2"	0	""	""	1	1	361452	""
"624482"	"624482"	"Saponaceolide A"	"CC1(C)O[C@@]2(C)CC[C@]1(O)O[C@@]23CC[C@@H](CCC4CCC(=C)[C@H](C\C=C\5/[C@@H](O)COC5=O)C4(C)C)CO3"	0	NA	NA	2	2	NA	""
"624488"	"624488"	"Streptomyces antibiotic SF-2446-A-1"	"COC1C(C)OC(NC2=CC(=O)c3c(O)c4C(=O)C5(OC)C(O)Cc6cc(C)c(C(=O)OC)c(O)c6C5(O)C(=O)c4cc3C2=O)C(OC)C1O"	0	""	""	2	1	197261	""
"624508"	"624508"	""	"CN(C)C1=CC(=O)OC(C1)\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	1	1	NA	""
"624512"	"624512"	"(4Z,6Z)-4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one"	"CC1(C)O\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\O1"	0	""	""	1	1	5387558	""
"624523"	"624523"	"7'-But-3-en-2-yl-7'-(3-phenylmethoxypropyl)spiro[1,3-dioxolane-2,2'-3,4,7a,8,9,10-hexahydro-1H-cyclopenta[i]indolizine]-6'-thione"	"CC(C=C)C1(CCCOCc2ccccc2)C3CCCC34CC5(CCN4C1=S)OCCO5"	0	""	""	1	1	361486	""
"624544"	"624544"	"nitro trifluoro benzylurea"	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(c2)C(F)(F)F"	0	""	""	4	2	361500	""
"624545"	"624545"	"Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- methy..."	"Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc3ncc(Cl)cn3"	0	""	""	2	2	361501	""
"624546"	"624546"	"acylurea"	"CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc3ncc(Cl)cn3"	0	""	""	3	2	361502	""
"624547"	"624547"	"Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4- methy..."	"Cc1ccc(NC(=O)NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1Oc3ncc(Cl)cn3"	0	""	""	2	2	361503	""
"624548"	"624548"	"Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chloro..."	"[O-][N+](=O)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(Cl)c2"	0	""	""	7	2	128803	""
"624575"	"624575"	"Benzoic acid, 2-chloro-5-[[(2-methoxyphenyl)carbonyl] am..."	"COc1ccccc1C(=O)Nc2ccc(Cl)c(c2)C(=O)OC(C)C"	0	""	""	2	1	361504	""
"624589"	"624589"	"Claenone"	"CC(=C1C2CC\C(=C/CCC3(C)O[C@@H]3C[C@]2(C)CC1=O)\C)C"	0	""	""	2	1	5459116	"112790428"
"624625"	"624625"	"7-methyljuglone"	"Cc1cc(O)c2C(=O)C=CC(=O)c2c1"	0	NA	NA	2	2	NA	""
"624656"	"624656"	"Methanediyl bis(dimethylcarbamate)"	"CN(C)C(=O)OCOC(=O)N(C)C"	0	""	""	2	1	361531	""
"624657"	"624657"	"ANTINEOPLASTIC-624657"	"[ClH-][Sn+4]1([ClH-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	2	1	NA	""
"624658"	"624658"	"ANTINEOPLASTIC-624658"	"[IH-][Sn+4]1([IH-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	2	1	NA	""
"624659"	"624659"	"ANTINEOPLASTIC-624659"	"[BrH3-][Sn+4]1([BrH3-])([c-]2ccccc2)[c-]3ccccc3N=[N+]1c4ccccc4"	0	NA	NA	5	2	NA	""
"624661"	"624661"	"1-(Diphenylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline"	"COc1cc2CCN(C)C(C(c3ccccc3)c4ccccc4)c2cc1OC"	0	""	""	2	1	361533	""
"624664"	"624664"	"Bractein"	"OCC1OC(Oc2cc(O)cc3O\C(=C/c4cc(O)c(O)c(O)c4)\C(=O)c23)C(O)C(O)C1O"	0	""	""	1	1	5387564	""
"624721"	"624721"	"N,N-Diphenylbenzamidine"	"N=C(N(c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	361541	""
"624722"	"624722"	""	"N=C(N1CCCCC1)c2ccccc2"	0	NA	NA	1	1	NA	""
"624723"	"624723"	""	"CC(C)N(O)C(=N)c1ccccc1"	0	NA	NA	1	1	NA	""
"624725"	"624725"	""	"CN(\C(=N/O)\c1ccccc1)c2ccccc2"	0	NA	NA	1	1	NA	""
"624738"	"624738"	"N'-[(1E)-(3-Fluorophenyl)methylene]isonicotinohydrazide"	"Fc1cccc(\C=N\NC(=O)c2ccncc2)c1"	0	""	""	1	1	6791533	""
"624760"	"624760"	"(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	"COc1cc(Cl)c2CCCc3c(oc1c23)C(=O)c4ccccc4"	0	""	""	1	1	361579	""
"624761"	"624761"	"(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone"	"COc1ccc2CCCc3c(oc1c23)C(=O)c4ccccc4"	0	""	""	1	1	361580	""
"624769"	"624769"	"5-(2-Bromo-5-methoxyphenyl)pentanoic acid"	"COc1ccc(Br)c(CCCCC(=O)O)c1"	0	""	""	1	1	361588	""
"624771"	"624771"	"5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,6-dibromo- 6,..."	"CC(=O)Oc1cccc2CCCC(Br)(Br)C(=O)c12"	0	""	""	3	3	361590	""
"624773"	"624773"	"7-Tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone"	"CC(C)(C)c1cc(O)c2CCCC(=O)c2c1O"	0	""	""	1	1	361592	""
"624796"	"624796"	"4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate"	"COc1ccc(OC(=O)C)c2C(=O)C=CCCc12"	0	""	""	1	1	361611	""
"624800"	"624800"	"4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one"	"COc1ccc(O)c2C(=O)C=CC=Cc12"	0	""	""	1	1	361615	""
"624806"	"624806"	".alpha.-Boswellic acid acetate"	"CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C4[C@@H]5CC(C)(C)CCC5(C)CCC34C)[C@@]1(C)C(=O)O"	0	""	""	6	2	6711382	""
"624808"	"624808"	"1-(3,4,5-Trihydroxyoxan-2-yl)-3-[6-[(3,4,5-trihydroxyoxan-2-yl)carbamoylamino]hexyl]urea"	"OC1COC(NC(=O)NCCCCCCNC(=O)NC2OCC(O)C(O)C2O)C(O)C1O"	0	""	""	1	1	361623	""
"624843"	"624843"	"1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol"	"OC(CC#C)c1ccccc1C(O)CC#C"	0	""	""	1	1	361626	""
"624849"	"624849"	"(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate"	"CC(=O)Oc1cc2c(cc1OC(=O)C)C3(C)CCC2(C)c4cc(OC(=O)C)c(OC(=O)C)cc34"	0	""	""	1	1	361632	""
"624851"	"624851"	"1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane"	"BrC1C(Br)C(=C(Br)Br)C1=C(Br)Br"	0	""	""	3	2	361635	""
"624872"	"624872"	"CP-50"	"CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	""	""	1	1	5030	""
"624873"	"624873"	"CP-49"	"CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCC"	0	""	""	1	1	361655	""
"624875"	"624875"	"3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid"	"COc1ccc2oc(C(=O)O)c3C(CCC(=O)O)CCc1c23"	0	""	""	1	1	361657	""
"624876"	"624876"	"7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one"	"COc1ccc2oc3C(=O)CCC4CCc1c2c34"	0	""	""	1	1	361658	""
"624880"	"624880"	"Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate"	"CCOC(=O)c1oc2c(OC)ccc3CCCc1c23"	0	""	""	1	1	361662	""
"624883"	"624883"	"Ethyl 2-[[4-(2-ethoxy-2-oxo-ethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate"	"CCOC(=O)COc1ccc(OCC(=O)OCC)c2C(=O)CCCC(=O)c12"	0	""	""	1	1	361665	""
"624902"	"624902"	""	"[Cl-][Pt+2]([Cl-])(P(C1CCCCC1)(C2CCCCC2)C3CCCCC3)P(C4CCCCC4)(C5CCCCC5)C6CCCCC6"	0	NA	NA	2	1	NA	""
"624907"	"624907"	"Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCNCCO)C(=O)NC1=O"	0	""	""	1	1	361688	""
"624943"	"624943"	""	"CC1=NC(=O)N2CCCNC2=C1C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"624944"	"624944"	"N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide"	"CC1=NNC2=C(C(=O)Nc3cc(Cl)cc(Cl)c3)C(=NC(=O)N12)C"	0	""	""	1	1	135416664	""
"624946"	"624946"	""	"OCCN1CCN2C(=O)N=C(\C=C\c3ccccc3Cl)C=C12"	0	NA	NA	1	1	NA	""
"624947"	"624947"	"Pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4- [2-[(4-c..."	"CC1=C(C(=O)Nc2ccc(Cl)cc2)C(=NC(=O)N1)N\N=C\c3ccc(Cl)cc3"	0	""	""	5	2	5351359	""
"624948"	"624948"	"LS-134826"	"Clc1ccc(cc1)C(=O)NC2=C(NC(=O)NC2=O)C(=O)NC3CCCCC3"	0	""	""	1	1	361707	""
"624954"	"624954"	"Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate"	"CCOC(=O)CN1CCS/C/1=N/C#N"	0	""	""	2	1	361713	""
"624971"	"624971"	"Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate"	"COC(=O)C(=C=C)S(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	3	1	361729	""
"624975"	"624975"	"2,5-norbornadiene-2-carboxylic acid, 3-formyl-, methylester"	"COC(=O)C1=C(C=O)C2CC1C=C2"	0	""	""	4	2	361733	""
"624978"	"624978"	""	"O=C1\C(=C/c2ccccc2)\C3C(\C(=C\c4ccccc4)\C(=O)/C/3=C/c5ccccc5)/C/1=C\c6ccccc6"	0	NA	NA	1	1	NA	""
"624982"	"624982"	"2,4-Cyclopentadien-1-one, 2-bromo-3,4,5-triphenyl- (9CI)"	"BrC1=C(C(=C(C1=O)c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	4	4	361740	"73442554"
"625008"	"625008"	"Myricoidine Picrate"	"CC\C=C/C\C=C/C1CC(=O)NCCCNCCCCN1"	0	NA	NA	1	1	NA	""
"625012"	"625012"	"CS-0110392"	"c1cc(cc(c1)c2cn[nH]c2)c3cn[nH]c3"	0	""	""	1	1	361746	""
"625018"	"625018"	"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide"	"O=C(N(CCC#N)CCC#N)c1cccc(c1)C(=O)N(CCC#N)CCC#N"	0	""	""	2	1	361752	""
"625019"	"625019"	"bdea"	"Cc1cc(C)n(CCNCCn2nc(C)cc2C)n1"	0	""	""	1	1	361753	""
"625020"	"625020"	"Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate"	"COC(=O)\C(=C(/N)\C(Cl)(Cl)Cl)\C#N"	0	""	""	1	1	3004059	""
"625021"	"625021"	"2-[3-[Bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol"	"OCCN(CCO)c1cccc(c1)N(CCO)CCO"	0	""	""	1	1	361755	""
"625024"	"625024"	"1-Methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole"	"Cn1ccnc1Cn2cc(cn2)c3cccc(c3)c4cn[nH]c4"	0	""	""	1	1	361758	""
"625037"	"625037"	"1-(Bis(phenylthio)methyl)cycloheptanol"	"OC1(CCCCCC1)C(Sc2ccccc2)Sc3ccccc3"	0	""	""	1	1	361771	""
"625038"	"625038"	"Diphenyl(1-(phenylthio)butyl)phosphine oxide"	"CCCC(Sc1ccccc1)P(=O)(c2ccccc2)c3ccccc3"	0	""	""	1	1	361772	""
"625045"	"625045"	"5,5-Bis(phenylthio)pentanal"	"O=CCCCC(Sc1ccccc1)Sc2ccccc2"	0	""	""	1	1	361778	""
"625049"	"625049"	"Trimethyl(tris(phenylthio)methyl)silane"	"C[Si](C)(C)C(Sc1ccccc1)(Sc2ccccc2)Sc3ccccc3"	0	""	""	1	1	361782	""
"625065"	"625065"	"Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane"	"C[Si](C)(C)C1(Sc2ccccc2)SCCCS1"	0	""	""	1	1	361793	""
"625110"	"625110"	"Suillin"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\Cc1c(O)c(O)ccc1OC(=O)C)\C)\C)\C)C"	0	""	""	1	1	5387599	"103538030"
"625111"	"625111"	"2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one"	"[O-][N+](=O)c1ccc(cc1)C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	1	1	361797	""
"625122"	"625122"	""	"c1ccc(cc1)P(=C2c3ccccc3c4ccccc24)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"625129"	"625129"	""	"CCC1=C(C)\C(=C\c2[nH]c(CBr)c(CC)c2C)\N=C1CBr"	0	NA	NA	1	1	NA	""
"625130"	"625130"	""	"CCC1=C(C)\C(=C\c2[nH]c(C(Br)Br)c(CC)c2C)\N=C1C(Br)Br"	0	NA	NA	1	1	NA	""
"625133"	"625133"	"Cyclohepta-1,3-diene-1,2,3,4,5,5,6,7-octacarboxylic acid..."	"COC(=O)C1C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(=C(C(=O)OC)C(=C1C(=O)OC)C(=O)OC)C(=O)OC"	0	""	""	3	3	361816	""
"625134"	"625134"	"Tetrabromo-3-cyclopentene-1,2-dione"	"BrC1=C(Br)C(Br)(Br)C(=O)C1=O"	0	""	""	1	1	361817	""
"625145"	"625145"	""	"CCOc1ccc(OCC)c(c1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"625146"	"625146"	"Phosphonium, (2-ethoxy-5-hydroxyphenyl)triphenyl-, iodide"	"CCOc1ccc(O)cc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	361829	""
"625150"	"625150"	"ethyl heptamethyl[?]carboxylate"	"CCOC(=O)C1(C)c2oc(cc2)C(C)(C)c3oc(cc3)C(C)(C)c4oc(cc4)C(C)(C)c5oc1cc5"	0	""	""	1	1	361834	""
"625154"	"625154"	"21-Oxabicyclo[16.2.1]heneicosane-4,9,14,18,20-pentaene, ..."	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)c2oc(cc2)C(C)(C)C(=O)\C=C/C1=O"	0	""	""	3	3	5387611	""
"625155"	"625155"	"Octamethyl-cycloeicosa-4,9,14,19-tetraen-1,3,6,8,11,13,16,18-octaone"	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C(=O)C(C)(C)C(=O)\C=C/C1=O"	0	""	""	3	3	5387612	""
"625156"	"625156"	"(4Z)-14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone"	"CC1(C)C(=O)\C=C/C(=O)C(C)(C)c2oc(cc2)C(C)(C)C(=O)C(Br)C(Br)C(=O)C(C)(C)c3oc1cc3"	0	""	""	4	4	5387613	""
"625171"	"625171"	"4-Amino-5-nitro-9H-fluoren-9-one"	"Nc1cccc2C(=O)c3cccc(c3c12)[N+](=O)[O-]"	0	""	""	1	1	5144559	""
"625174"	"625174"	"Propanedinitrile, 2-(phenylmethyl)thio-"	"N#CC(SCc1ccccc1)C#N"	0	""	""	3	2	361853	""
"625178"	"625178"	"4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione"	"O=C(CC(=S)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3)C=P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	361857	""
"625180"	"625180"	"N-[3-Formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide"	"Cc1ccc(cc1)S(=O)(=O)C(CC(NC=O)S(=O)(=O)c2ccc(C)cc2)NC=O"	0	""	""	1	1	361859	""
"625192"	"625192"	"N,N'-(1,2-Phenylene)bis(triphenylphosphine imide)"	"c1ccc(cc1)P(=Nc2ccccc2N=P(c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	361870	""
"625193"	"625193"	"Ferprenin"	"CC(=CCC\C(=C\CCC1(C)OC2=C(C=C1)C(=O)Oc3ccccc23)\C)C"	0	""	""	2	1	5387614	""
"625195"	"625195"	"3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	1	1	361873	""
"625216"	"625216"	""	"CCc1ccc(cc1)\C(=N\NC(=S)N)\C"	0	NA	NA	1	1	NA	""
"625218"	"625218"	""	"C\C(=N/NC(=S)N)\c1ccc(cc1)C2CCCCC2"	0	NA	NA	1	1	NA	""
"625220"	"625220"	"N-[(E)-[3-(Dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride"	"CN(C)CC\C(=N/Nc1ccccc1)\c2ccccc2"	0	""	""	1	1	9569913	""
"625223"	"625223"	"STL297573"	"C\C(=N/NC(=S)N)\c1ccc(Oc2ccccc2)cc1"	0	""	""	1	1	9569914	""
"625224"	"625224"	""	"CCOC(=O)c1ccc(cc1)\C(=N\NC(=S)N)\C"	0	NA	NA	1	1	NA	""
"625255"	"625255"	"Benfluron"	"CN(C)CCOc1cc2C(=O)c3ccccc3c2c4ccccc14"	0	""	""	2	2	54569	""
"625257"	"625257"	"Benfluron, N-oxide-"	"C[N+](C)([O-])CCOc1cc2C(=O)c3ccccc3c2c4ccccc14"	0	""	""	2	1	124631	""
"625298"	"625298"	"(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](C)(CC)CN1"	0	""	""	1	1	498319	""
"625299"	"625299"	"(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum"	"[Cl-][Pt+2]1([Cl-])NC[Si](C)(CC)CN1"	0	""	""	1	1	498321	""
"625300"	"625300"	"N-[(E)-2-(2,5-Dihydroxyphenyl)vinyl]-N-methyl-formamide"	"CN(C=O)\C=C\c1cc(O)ccc1O"	0	""	""	3	2	5916696	""
"625301"	"625301"	"N-(2,5-Dihydroxystyryl)acetamide"	"CC(=O)N\C=C\c1cc(O)ccc1O"	0	""	""	3	2	6105823	""
"625314"	"625314"	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-"	"Cc1cc(C)c2N3CN(Cc2c1C)c4c(C)cc(C)c(C)c4C3"	0	""	""	1	1	361902	""
"625315"	"625315"	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-"	"Cc1cc(C)c2N3CN(Cc2c1)c4c(C)cc(C)cc4C3"	0	""	""	1	1	361903	""
"625316"	"625316"	"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-"	"COc1cc(C)c2N3CN(Cc2c1)c4c(C)cc(OC)cc4C3"	0	""	""	1	1	361904	""
"625317"	"625317"	"2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine"	"Cc1ccc2NCc3cc(C)ccc3NCc2c1"	0	""	""	1	1	361905	""
"625318"	"625318"	"2-(5,13-Dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-17-yl)phenol"	"Cc1ccc2N3Cc4cc(C)ccc4N(Cc2c1)C3c5ccccc5O"	0	""	""	1	1	361906	""
"625324"	"625324"	"dermazin"	"Nc1ccc(cc1)S2(=O)=O[Ag+][n+]3cccnc3[N-]2"	0	NA	NA	2	2	NA	"22199082"
"625326"	"625326"	"2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid"	"NC1=C(C(=O)O)C(=O)C(=CC1=O)Nc2c(O)cccc2C(=O)O"	0	""	""	2	1	135429956	""
"625328"	"625328"	"Osthenol"	"CC(=CCc1c(O)ccc2C=CC(=O)Oc12)C"	0	""	""	2	1	5320318	""
"625349"	"625349"	"1,3-Benzodioxol-5-ylmethyl(2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate"	"O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)OCc3ccc4OCOc4c3"	0	""	""	2	1	361914	""
"625350"	"625350"	"Benzenepropanoic acid, .beta.-(benzoylamino)-.alpha.- hy..."	"OC(C(NC(=O)c1ccccc1)c2ccccc2)C(=O)OCc3ccc4C(=O)c5ccccc5C(=O)c4c3"	0	""	""	8	6	361915	""
"625351"	"625351"	"12-Phenyl-10,12,14-triazatetracyclo[7.5.1.01,5.010,14]pentadeca-5,7-diene-4,11,13-trione"	"O=C1CCC23CC(C=CC=C12)N4N3C(=O)N(C4=O)c5ccccc5"	0	""	""	2	1	361916	""
"625352"	"625352"	"2-[5-(2-Hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one"	"Oc1ccccc1C(=O)C2=CC(=C(NC2=O)c3ccccc3O)c4ncc5C(=O)c6ccccc6Oc5n4"	0	""	""	2	1	361917	""
"625353"	"625353"	"11,12-Dihydroquino[2,3-b][1,5]benzoxazepine"	"C1Nc2ccccc2Oc3nc4ccccc4cc13"	0	""	""	2	1	361918	""
"625354"	"625354"	"2-Hydroxy-4-oxo-1-(prop-2-yn-1-yl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile"	"OC1=C(C#N)C(=O)N(CC#C)c2nc3ccccc3cc12"	0	""	""	2	1	54676230	""
"625355"	"625355"	"1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)- 1,2-pyrimidin..."	"OCC1OC(C(F)C1O)N2C=CC=NC2=O"	0	""	""	3	1	361920	""
"625409"	"625409"	"3-((1H-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-..."	"[O-][N+](=O)c1ccc2c(c1)c(Cn3ccnc3)c(C=O)n2Cc4ccccc4"	0	""	""	2	1	361928	""
"625413"	"625413"	"2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone"	"CC1C(CCC1=O)C(Sc2ccccc2)(Sc3ccccc3)Sc4ccccc4"	0	""	""	1	1	361932	""
"625418"	"625418"	"N-Benzyl-2(R)-formyl-3(R),4(R),5(S)-tribenzyloxy  piperi..."	"O\N=C\C1C(OCc2ccccc2)C(OCc3ccccc3)C(CN1Cc4ccccc4)OCc5ccccc5"	0	NA	NA	1	1	NA	""
"625425"	"625425"	"10-ketostearic acid"	"CCCCCCCCC(=O)CCCCCCCCC(=O)O"	0	""	""	1	1	361941	""
"625431"	"625431"	"8-oxostearic acid"	"CCCCCCCCCCC(=O)CCCCCCC(=O)O"	0	""	""	1	1	361946	""
"625447"	"625447"	"octyl glyceryl ether"	"CCCCCCCCOCC(O)CO"	0	""	""	1	1	112041	""
"625456"	"625456"	"[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide"	"CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1"	0	""	""	1	1	361972	""
"625457"	"625457"	"Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCC)cc1"	0	""	""	2	1	361974	""
"625458"	"625458"	"[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide"	"CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCCCC)cc1"	0	""	""	1	1	361976	""
"625459"	"625459"	""	"CCCCCCCCCCCCCCCCOP(=O)(O)Oc1ccc(\C=C/c2ccc(OP(=O)(O)OCCCCCCCCCCCCCCCC)cc2)cc1"	0	NA	NA	1	1	NA	""
"625473"	"625473"	"Benzimidazole derivative"	"Fc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	361994	""
"625474"	"625474"	"1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Brc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	361995	""
"625475"	"625475"	"1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Brc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	361996	""
"625476"	"625476"	"1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	361997	""
"625482"	"625482"	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-"	"Clc1cccc(Cl)c1C2SCc3nc4ccccc4n23"	0	""	""	1	1	362003	""
"625492"	"625492"	"Bismuth, dichloro(1-piperidinylcarbamodithioato-S,S')-, ..."	"[Cl-][Bi+3]1([Cl-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	4	3	NA	""
"625493"	"625493"	""	"[Cl-][Bi+3]1([Cl-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	2	2	NA	""
"625494"	"625494"	""	"[I-][Bi+3]1([I-])[SH-]C(=S1)N2CCSCC2"	0	NA	NA	1	1	NA	""
"625495"	"625495"	"1-piperidinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]1([Br-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	3	2	NA	""
"625496"	"625496"	""	"[I-][Sb+3]1([I-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	NA	""
"625497"	"625497"	"4-thiomorpholinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]1([Br-])[SH-]C(=S1)N2CCSCC2"	0	NA	NA	3	3	NA	""
"625498"	"625498"	"4-morpholinecarbodithioic acid, antimony complex"	"[Br-][Sb+3]12([Br-][Sb+3]3([Br-])([SH-]C(=S3)N4CCOCC4)S=C([SH-]1)N5CCOCC5)[SH-]C(=S2)N6CCOCC6"	0	NA	NA	5	2	NA	""
"625499"	"625499"	"Antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi..."	"[I-][Sb+3]12([I-][Sb+3]3([I-])([SH-]C(=S3)N4CCSCC4)S=C([SH-]1)N5CCSCC5)[SH-]C(=S2)N6CCSCC6"	0	NA	NA	4	2	NA	""
"625500"	"625500"	""	"[Cl-][Bi+3]12([SH-]C(=S1)N3CCSCC3)[SH-]C(=S2)N4CCSCC4"	0	NA	NA	1	1	NA	""
"625501"	"625501"	"1-piperidinecarbodithioic acid, antimony complex"	"[Cl-][Sb+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	4	3	NA	""
"625502"	"625502"	"4-morpholinecarbodithioic acid, antimony complex"	"[Cl-][Sb+3]12([SH-]C(=S1)N3CCOCC3)[SH-]C(=S2)N4CCOCC4"	0	NA	NA	3	3	NA	""
"625503"	"625503"	""	"[Br-][Bi+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	1	1	NA	""
"625504"	"625504"	""	"[Br-][Sb+3]12([SH-]C(=S1)N3CCCCC3)[SH-]C(=S2)N4CCCCC4"	0	NA	NA	1	1	NA	""
"625505"	"625505"	""	"[Br-][Sb+3]12([SH-]C(=S1)N3CCSCC3)[SH-]C(=S2)N4CCSCC4"	0	NA	NA	1	1	NA	""
"625507"	"625507"	""	"[Br-][Bi+3]1([Br-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	1	1	NA	""
"625508"	"625508"	""	"[Br-][Bi+3]1([Br-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	NA	""
"625509"	"625509"	""	"[I-][Bi+3]1([I-])[SH-]C(=S1)N2CCOCC2"	0	NA	NA	1	1	NA	""
"625510"	"625510"	""	"[I-][Sb+3]1([I-])[SH-]C(=S1)N2CCCCC2"	0	NA	NA	1	1	NA	""
"625513"	"625513"	"Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate"	"CCOC(=O)NC(=O)C1=CN(CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC(=O)OCC)C(=O)NC2=O)C(=O)NC1=O"	0	""	""	1	1	362009	""
"625515"	"625515"	"4-[2-(5-Cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide"	"CCC1=C(C#N)C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CCN4C(=O)NC(=O)C(=C4CC)C#N)CC3"	0	""	""	1	1	362011	""
"625516"	"625516"	"Trunculin A"	"C[C@H]([C@H]1CC[C@@](C)(CCC2=C(C)CC3C=C(C)CCC3C2(C)C)OO1)C(=O)O"	0	""	""	2	2	5459125	""
"625517"	"625517"	"Trunculin B"	"C[C@H]([C@H]1CC[C@](C)(OO1)[C@H]2CC3C(C)(C)[C@H]4CCC(=C[C@H]4C[C@@]3(C)O2)C)C(=O)O"	0	NA	NA	1	1	NA	""
"625519"	"625519"	"5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone"	"CC(CCCc1cocc1)\C=C\C=C(/C)\CCCC(C)\C=C\2/OC(=O)C(=C2O)C"	0	""	""	1	1	54679364	""
"625537"	"625537"	"10-(2',4'-dichlorophenyl)-3-methylflavin"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3Cl)c4ccccc4N=C2C1=O"	0	""	""	1	1	362038	""
"625538"	"625538"	"Manganese, bis(acetato-O)[(phenyl-2-pyridinyl-methanone(..."	"CC(=O)[O-][Mn+2]12([O-]C(=O)C)[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	3	2	NA	""
"625539"	"625539"	"Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-..."	"[ClH-][Fe+3]12([ClH-])([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	2	2	9578814	""
"625540"	"625540"	""	"[O-]S(=O)(=O)[O-][Fe+2]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	1	1	NA	""
"625541"	"625541"	"Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine"	"[ClH-][Co+2]12([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	1	1	9578816	""
"625542"	"625542"	"Methanone, phenyl-2-pyridyl-, 2-pyridylhydrazone, nickel..."	"CC(=O)[O-][Ni+]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	4	3	NA	""
"625543"	"625543"	"ANTINEOPLASTIC-625543"	"[ClH-][Cu+2]12([ClH-])[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	""	""	4	4	9578818	""
"625544"	"625544"	""	"CC(=O)[O-][Zn+]12[N+](=C(c3ccccc3)c4cccc[n+]14)Nc5cccc[n+]25"	0	NA	NA	2	2	NA	""
"625545"	"625545"	"Phenazinomycin"	"C\C(=C/CN1C2=CC=CC(=O)C2=Nc3ccccc13)\CC[C@@H]4C(=C)CCCC4(C)C"	0	""	""	2	1	5459126	""
"625546"	"625546"	"Cordigone"	"Oc1ccc(cc1)C2OC(C(C2C(=O)c3ccc(O)cc3O)C(=O)c4ccc(O)cc4O)c5ccc(O)cc5"	0	""	""	1	1	362039	"117458374"
"625547"	"625547"	"Itomanindole A"	"CSc1c([nH]c2cc(Br)cc(Br)c12)S(=O)C"	0	""	""	1	1	362040	""
"625558"	"625558"	""	"OCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)O"	0	NA	NA	1	1	NA	""
"625563"	"625563"	""	"COC(=O)\C=C/C1C(C(=O)OC)C2(CCC1(N2)C(=O)OC)C(=O)OC"	0	NA	NA	2	2	NA	""
"625564"	"625564"	"Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate"	"COC(=O)\C=C\C(=O)C1C(C(=O)OC)C2(CCC1(N2)C(=O)OC)C(=O)OC"	0	""	""	1	1	5777548	""
"625565"	"625565"	""	"OC[C@@H]1CC#C\C=C/C#CC[C@@H]1CO"	0	NA	NA	1	1	NA	""
"625566"	"625566"	"5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione"	"CC(O[Si](C)(C)C)C1C=CC(C)N2N1C(=O)N(C2=O)c3ccccc3"	0	""	""	1	1	362054	""
"625567"	"625567"	""	"COC(=O)C12N(C)C(=O)C(C)C1(O)[C@@H](C)OC2=O"	0	NA	NA	1	1	NA	""
"625568"	"625568"	""	"C[C@H]1OC(=O)C2(CO)N(C)C(=O)C(C)C12O"	0	NA	NA	1	1	NA	""
"625582"	"625582"	"N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine"	"N(c1ccccc1)c2c(\C=C\c3ccccc3)ccc4ccccc24"	0	""	""	2	1	5387657	""
"625584"	"625584"	"1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one"	"Clc1ccc(cc1)C2(OC(=O)c3ccc4ccccc4c23)c5ccc(Cl)cc5"	0	""	""	1	1	362062	""
"625587"	"625587"	"9'-Methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one"	"COc1cccc2ccc3c(C(=O)OC34CCc5c(C)cccc45)c12"	0	""	""	3	2	362065	""
"625592"	"625592"	"3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	"FC(F)(F)c1cccc(c1)C2OC(=O)c3c2ccc4ccccc34"	0	""	""	2	1	362069	""
"625603"	"625603"	"3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one"	"FC(F)(F)c1cccc(c1)C2(OC(=O)c3c2ccc4ccccc34)c5cccc(c5)C(F)(F)F"	0	""	""	2	1	362080	""
"625612"	"625612"	"6-(2-((5-((2-((5-Cyanopentyl)oxy)ethoxy)methyl)-2,2-bis(7-(3,5-di-tert-butylphenyl)heptyl)-1,3-dioxolan-4-yl)methoxy)ethoxy)hexanenitrile"	"CC(C)(C)c1cc(CCCCCCCC2(CCCCCCCc3cc(cc(c3)C(C)(C)C)C(C)(C)C)OC(COCCOCCCCCC#N)C(COCCOCCCCCC#N)O2)cc(c1)C(C)(C)C"	0	""	""	1	1	362089	""
"625618"	"625618"	"Azacycloheptane, 4-acetyl-1-methyl-4-phenyl, hydrate [10:1]"	"CN1CCCC(CC1)(C(=O)C)c2ccccc2"	0	""	""	1	1	362090	""
"625624"	"625624"	"7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-"	"CC12OOC(c3ccccc13)c4c2ccc5ccccc45"	0	""	""	3	3	362095	""
"625625"	"625625"	"Benz[a]anthracene-1,4-dione, 1,4-dihydro-7,12-dimethyl-"	"Cc1c2ccccc2c(C)c3c4C(=O)C=CC(=O)c4ccc13"	0	""	""	2	2	362096	""
"625626"	"625626"	"FGSXSCOUEIAMOA-UHFFFAOYSA-N"	"Cc1cc(C)c2c(CSCc3cc(C)cc(C)c23)c1"	0	""	""	1	1	362097	""
"625635"	"625635"	"Mercury;naphthalene-1,8-dicarboxylic acid"	"[Hg+].OC(=O)c1cccc2cccc(C(=O)O)c12"	0	""	""	1	1	24202090	""
"625637"	"625637"	"10,10-Dibromo-9(10H)-anthracenone"	"BrC1(Br)c2ccccc2C(=O)c3ccccc13"	0	""	""	2	1	362108	""
"625639"	"625639"	""	"Cc1ccccc1NC(=O)\C=N\O"	0	NA	NA	1	1	NA	""
"625642"	"625642"	"Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-"	"Cc1ccccc1C2OC(=O)c3ccc4ccccc4c23"	0	""	""	2	2	362113	""
"625709"	"625709"	"1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione"	"CN1C(=O)c2ccccc2NC(=O)c3cnn(C)c13"	0	""	""	2	1	362133	""
"625731"	"625731"	"N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine"	"CC(C)CC\N=C/1\C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	""	""	2	1	362143	""
"625732"	"625732"	"1-[3-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one"	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N/CCCN5CCCC5=O)c6ccc(Cl)cc6)cc1"	0	""	""	2	2	362144	""
"625733"	"625733"	"2-[(Z)-(10-Chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1c2ccccc2c(Cl)c3ccccc13"	0	""	""	2	1	9569917	""
"625734"	"625734"	""	"ONC(=N)N\N=C/c1cccc(CC=C)c1O"	0	NA	NA	2	1	NA	""
"625735"	"625735"	""	"ONC(=N)N\N=C\c1cc2OCOc2cc1Cl"	0	NA	NA	2	1	NA	""
"625736"	"625736"	"2-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C\c1ccc2OCCOc2c1"	0	""	""	2	1	9569923	""
"625737"	"625737"	"1-Hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	135510075	""
"625738"	"625738"	""	"ONC(=N)N\N=C/c1cc(Cl)cc(Cl)c1O"	0	NA	NA	2	2	NA	""
"625741"	"625741"	"1-Hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C/c1ccccc1O"	0	""	""	2	2	135510083	""
"625742"	"625742"	"1-Hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"ONC(=N)N\N=C\c1ncccc1O"	0	""	""	2	2	135510085	""
"625746"	"625746"	"4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one"	"CC1Cc2c(N)nc(nc2NC1=O)N3CCOCC3"	0	""	""	1	1	362168	""
"625748"	"625748"	"1,2,4,5-tetrazine, 3,6-bis(1-azetidinyl)-"	"C1CN(C1)c2nnc(nn2)N3CCC3"	0	""	""	4	1	362170	""
"625769"	"625769"	"Brominated ATA polymer, bromine content 28.9%"	""	0	NA	NA	1	1	NA	""
"625774"	"625774"	"N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine"	"CN(COC(=O)c1ccccc1)c2nc(nc(n2)N(C)COC(=O)c3ccccc3)N(C)COC(=O)c4ccccc4"	0	""	""	2	2	362185	""
"625781"	"625781"	"3-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate"	"CC(=O)OC1CCn2nnc(CO[Si](C)(C)C(C)(C)C)c12"	0	""	""	1	1	362190	""
"625783"	"625783"	""	"COCOC1C[C@]23CCC[C@@]2(C1)C(=C)C(=O)C3"	0	NA	NA	2	2	NA	""
"625801"	"625801"	"2-(5',7'-Dimethoxyspiro[1,3-dithiolane-2,4'-2,3-dihydro-1H-naphthalene]-2'-yl)acetonitrile"	"COc1cc2CC(CC#N)CC3(SCCS3)c2c(OC)c1"	0	""	""	1	1	362202	""
"625812"	"625812"	"ALBB-012679"	"Sc1nnc([nH]1)c2cccnc2"	0	""	""	1	1	717047	""
"625814"	"625814"	"1,2-Bis(4,5-dichloro-6-oxopyridazin-1(6H)-yl)ethane-1,2-dione"	"ClC1=C(Cl)C(=O)N(N=C1)C(=O)C(=O)N2N=CC(=C(Cl)C2=O)Cl"	0	""	""	2	2	362212	""
"625817"	"625817"	"2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid"	"OC(=O)\C(=C(/Cl)\C=N\NC(=O)c1cc2ccccc2cc1O)\Cl"	0	""	""	1	1	9569937	""
"625818"	"625818"	"STL505784"	"COC(=O)CSc1nnc([nH]1)c2ccccc2"	0	""	""	1	1	362215	""
"625823"	"625823"	"N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide"	"Sc1nnc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]1"	0	""	""	1	1	3004072	""
"625828"	"625828"	"N-(4-Methylphenyl)-3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide"	"Cc1ccc(NC(=O)CCc2nnc3S\C(=C/C=C/c4ccccc4)\C(=O)n23)cc1"	0	""	""	4	1	5387697	""
"625839"	"625839"	"4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	"NNC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl"	0	""	""	1	1	362235	""
"625840"	"625840"	"N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide"	"CCOc1ccccc1NC(=O)CCC(=O)NN"	0	""	""	1	1	362236	""
"625855"	"625855"	"6-(2-Naphthalen-2-yl-2-oxoethyl)-3-[7-[6-(2-naphthalen-2-yl-2-oxoethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one"	"O=C(CC1=Nc2nnc(CCCCCCCc3nnc4N=C(CC(=O)c5ccc6ccccc6c5)C(=O)n34)n2C1=O)c7ccc8ccccc8c7"	0	""	""	1	1	362251	""
"625857"	"625857"	""	"Clc1cc(Cl)c2[O-][Mn+2]3([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	NA	NA	1	1	NA	""
"625858"	"625858"	"Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron"	"Clc1cc(Cl)c2[O-][Fe+3]3([ClH-])([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	""	""	1	1	135484778	""
"625860"	"625860"	""	"Clc1cc(Cl)c2[O-][Co+2]3([ClH-])[N+](=Cc2c1)Nc4cccc[n+]34"	0	NA	NA	1	1	NA	""
"625861"	"625861"	"1-[?]ethanone"	"CC(=O)[O-][Ni+2]12(Oc3c(Cl)cc(Cl)cc3C=[N+]1NC(=O2)c4ccncc4)[O-]C(=O)C"	0	""	""	1	1	135508855	""
"625863"	"625863"	""	"CC(=O)[O-][Zn+2]12[O-]c3c(Cl)cc(Cl)cc3C=[N+]1Nc4cccc[n+]24"	0	NA	NA	1	1	NA	""
"625864"	"625864"	""	"CC(=O)[O-][Mn+2]12(O=C(N[N+]1=Cc3cc(Cl)cc(Cl)c3[OH+]2)c4ccncc4)[O-]C(=O)C"	0	NA	NA	1	1	NA	""
"625866"	"625866"	""	"[O-]S(=O)(=O)[O-][Fe+2]12O=C(N[N+]1=Cc3cc(Cl)cc(Cl)c3[OH+]2)c4ccncc4"	0	NA	NA	1	1	NA	""
"625873"	"625873"	"[3,4,5-Triacetyloxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-sulfanylidene-1,2,4-triazin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccccc1CC2=NC(=NN(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C2=S)c4ccccc4"	0	""	""	2	2	362262	""
"625875"	"625875"	"2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide"	"CCOc1ccc(NC(=O)\C(=C\c2ccccc2)\C(=O)C)cc1"	0	""	""	2	1	5387707	""
"625876"	"625876"	""	"COc1ccc(NC(=O)\C(=C\c2ccccc2)\C(=O)C)cc1"	0	NA	NA	1	1	NA	""
"625878"	"625878"	"Dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate"	"COC(=O)C1CC(C(=O)OC)c2nc3cc(ccc3nc12)[N+](=O)[O-]"	0	""	""	2	2	362267	""
"625882"	"625882"	"2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Cc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c(C)c1"	0	""	""	2	1	362271	""
"625883"	"625883"	"2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Cc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	1	1	362272	""
"625894"	"625894"	"N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide"	"Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CC/C/2=N\NC(=O)c3cc4ccccc4cc3O)cc1C"	0	""	""	1	1	9569938	""
"625902"	"625902"	""	"NC1=NN(C(=O)C1\C(=N/NC(=O)c2cc3ccccc3cc2O)\C(=O)Nc4nc(cs4)[N+](=O)[O-])c5ccccc5"	0	NA	NA	2	1	NA	""
"625985"	"625985"	"2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine"	"CCN(CC)CCSc1c2ccccc2nc3c(OC)ccc(OC)c13"	0	""	""	3	2	362326	""
"625990"	"625990"	"10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone"	"CCN(CC)CCN1c2ccccc2C(=O)c3c(OC)ccc(OC)c13"	0	""	""	2	1	362331	""
"625991"	"625991"	"1,4-Dihydroxy-9(10H)-acridinone"	"Oc1ccc(O)c2C(=O)c3ccccc3Nc12"	0	""	""	2	1	5387718	""
"626016"	"626016"	"12-[11-[4-[2-(4-Oxocyclohexa-2,5-dien-1-ylidene)ethylidene]pyridin-1-yl]undecanoylamino]-N-pentyldodecanamide"	"CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1"	0	""	""	1	1	362343	""
"626029"	"626029"	"Naphth[2,3-d]oxazol-4(9H)-one, 2-(1,1-dimethylethyl)-9- ..."	"CC(C)(C)c1oc2\C(=N/c3ccccc3)\c4ccccc4C(=O)c2n1"	0	""	""	4	4	362344	""
"626030"	"626030"	"Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4- ..."	"CC(C)(C)c1oc2\C(=N/c3ccc(F)cc3)\c4ccccc4C(=O)c2n1"	0	""	""	4	3	362345	""
"626097"	"626097"	"4-[(4-Chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-(p-tolyl)tetrahydrofuran-3-ol"	"Cc1ccc(cc1)C2OC(COCc3ccc(Cl)cc3)C(OCc4ccc(Cl)cc4)C2O"	0	""	""	1	1	362352	""
"626099"	"626099"	"4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran"	"COC1OC(COCc2ccc(Cl)cc2)C(OCc3ccc(Cl)cc3)C1N=[N+]=[N-]"	0	""	""	1	1	362354	""
"626103"	"626103"	""	"Cc1cccc2c(C3Cc4ccccc4N3)c(C)[nH]c12"	0	NA	NA	1	1	NA	""
"626105"	"626105"	""	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccccc3"	0	NA	NA	1	1	NA	""
"626106"	"626106"	"2-(o-tolyl)-1-oxido-indol-1-ium-3-one"	"Cc1ccccc1C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	1	1	362360	""
"626107"	"626107"	"5-chloro-1-oxido-2-phenyl-indol-1-ium-3-one"	"[O-][N+]1=C(C(=O)c2cc(Cl)ccc12)c3ccccc3"	0	""	""	1	1	362361	""
"626108"	"626108"	"1-oxido-2-(p-tolyl)indol-1-ium-3-one"	"Cc1ccc(cc1)C2=[N+]([O-])c3ccccc3C2=O"	0	""	""	2	1	362362	""
"626109"	"626109"	"3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide"	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccc(Cl)cc3"	0	""	""	1	1	362363	""
"626112"	"626112"	"2-(4-bromophenyl)-1-oxido-indol-1-ium-3-one"	"[O-][N+]1=C(C(=O)c2ccccc12)c3ccc(Br)cc3"	0	""	""	1	1	362366	""
"626114"	"626114"	""	"Cc1cccc2CC(Nc12)c3c(C)[nH]c4ccccc34"	0	NA	NA	1	1	NA	""
"626121"	"626121"	"4-Quinolinemethanol,  6-methoxy-2-(2-thienyl)-.alpha.-[(..."	"COc1ccc2nc(cc(C(O)CN3CCSCC3)c2c1)c4cccs4"	0	""	""	1	1	362377	""
"626146"	"626146"	"4,13.alpha.-Epoxymuzigadial"	"CC1CCC2(C)C(CC=C(C=O)C2(O)C=O)C13CO3"	0	""	""	2	1	362379	""
"626151"	"626151"	"1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea"	"S=C(NCCCCCCNC(=S)Nc1c2ccccc2nc3ccccc13)Nc4c5ccccc5nc6ccccc46"	0	""	""	4	1	3004086	""
"626155"	"626155"	"2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-"	"CCCCC1=C(Br)C(=C(Br)Br)OC1=O"	0	""	""	2	1	362385	""
"626156"	"626156"	"Sterol sulphate"	"CC(=O)[C@H]1CCC2[C@@H]3CC=C4C(O)C(CC[C@]4(C)C3CC[C@]12C)OS(=O)(=O)O"	0	""	""	2	1	362386	""
"626158"	"626158"	"Hymenialdisine"	"NC1=NC(=O)\C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)\N1"	0	NA	NA	2	2	NA	""
"626159"	"626159"	"Girolline"	"NCC(Cl)C(O)c1c[nH]c(N)n1"	0	""	""	2	2	362388	""
"626161"	"626161"	"2-Hydroxy discorhabdin D"	"OC12C[C@@]34CC(NC5=C3C6=[N+]1CCc7c[nH]c(C5=O)c67)SC4=CC2=O"	0	""	""	2	1	362391	""
"626162"	"626162"	"Discorhabdin C . TFA"	"BrC1=CC2(CCNC3=C2C4=NCCc5c[nH]c(C3=O)c45)C=C(Br)C1=O"	0	""	""	5	5	362393	""
"626163"	"626163"	"Discorhabdin C-nitrodienone . TFA"	"[O-][N+](=O)C12CCNC3=C(C4=NCCc5c[nH]c(C3=O)c45)C1=C(Br)C(=O)C(=C2)Br"	0	""	""	2	1	362394	""
"626164"	"626164"	"Discorhabdin C-phenol . TFA"	"Oc1c(Br)cc2CCNC3=C(C4=NCCc5c[nH]c(C3=O)c45)c2c1Br"	0	""	""	2	1	362396	""
"626166"	"626166"	"Discorhabdin C-dienol . TFA"	"OC1C(=CC2(CCNC3=C2C4=NCCc5c[nH]c(C3=O)c45)C=C1Br)Br"	0	""	""	2	2	362400	""
"626167"	"626167"	"Aplidazole C . TFA"	"COc1cc(ccc1O)C2(SSSCC2O)c3ncc[nH]3"	0	""	""	2	2	362402	""
"626168"	"626168"	"mycalamide b"	"CO[C@H](CO)C[C@H]1OC2[C@@H](NC(=O)C(O)C3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)OCO[C@@H]2C(OC)C1(C)C"	0	""	""	1	1	6711419	""
"626171"	"626171"	"7,17,18-Trimethoxy mycalamide A"	"COC[C@H](C[C@H]1OC2[C@@H](NC(=O)C(OC)C3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)OCO[C@@H]2C(OC)C1(C)C)OC"	0	""	""	1	1	6711422	""
"626172"	"626172"	"7,17,18-Trimethoxy, N-methyl mycalamide A"	"COC[C@H](C[C@H]1OC2[C@H](OCO[C@@H]2N(C)C(=O)C(OC)C3(CC(=C)[C@@H](C)[C@@H](C)O3)OC)C(OC)C1(C)C)OC"	0	""	""	1	1	6711423	""
"626174"	"626174"	"5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine"	"C[N+]12c3ccccc3[O-][B+3]1([O-]c4ccccc24)[c-]5ccccc5"	0	""	""	1	1	494513	""
"626176"	"626176"	"Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate"	"COC1=C(C(=O)OC(C)(C)C)C23CCCCC2(C1C(=O)OC(C)(C)C)C(=C(OC)C3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	362411	""
"626303"	"626303"	"2,6-Dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine"	"Cc1oc2\C(=N\c3ccccc3)\c4nc(C)oc4\C(=N/c5ccccc5)\c2n1"	0	""	""	1	1	362418	""
"626306"	"626306"	"Austrocortilutein"	"COc1cc(O)c2C(=O)C3=C(C[C@](C)(O)CC3O)C(=O)c2c1"	0	""	""	2	1	5459129	""
"626307"	"626307"	"Austrocortirubin"	"COC1=CC(=O)c2c(O)c3C(O)C[C@@](C)(O)Cc3c(O)c2C1=O"	0	""	""	5	2	5459130	""
"626314"	"626314"	""	"COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)[C@@H](NC(=O)c4cccs4)c5cc6OCOc6cc25"	0	NA	NA	2	2	NA	""
"626316"	"626316"	""	"COc1cc(cc(OC)c1OC)C2[C@@H]3C(COC3=O)C(NCC(O)CO)c4cc5OCOc5cc24"	0	NA	NA	1	1	NA	""
"626317"	"626317"	""	"COc1cc(CNC2C3COC(=O)[C@@H]3C(c4cc(OC)c(OC)c(OC)c4)c5cc6OCOc6cc25)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"626364"	"626364"	""	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(N)c4cc5OCOc5cc24"	0	NA	NA	1	1	NA	""
"626369"	"626369"	"Illudin S"	"CC1=C2C(O)C(C)(CO)C=C2C(=O)C(C)(O)C13CC3"	0	NA	NA	5	5	NA	"1149991"
"626370"	"626370"	"Illudin M"	"CC1=C2C(O)C(C)(C)C=C2C(=O)C(C)(O)C13CC3"	0	NA	NA	5	4	NA	"1146049"
"626380"	"626380"	"5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCC1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	362431	""
"626381"	"626381"	"5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC(C)CCC1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	362432	""
"626387"	"626387"	""	"O=C1C2C3CCCCCCCCCC[C@H]3c4c([nH]c5ccccc45)C2C(=O)N1c6ccccc6"	0	NA	NA	1	1	NA	""
"626388"	"626388"	"2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	"O=C1C2C3CCCCCC3c4c([nH]c5ccccc45)C2C(=O)N1c6ccccc6"	0	""	""	2	2	362439	""
"626390"	"626390"	"5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccccc6c25"	0	""	""	2	2	362441	""
"626391"	"626391"	"3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione"	"O=C1NC(=O)C2C1C3CCCC3c4c2[nH]c5ccccc45"	0	""	""	1	1	362442	""
"626392"	"626392"	""	"CCCCN1C(=O)C2C3CCCC[C@H]3c4c([nH]c5ccccc45)C2C1=O.CCCCN6C(=O)C7C8CCCCC8c9c([nH]c%10ccccc9%10)C7C6=O"	0	NA	NA	1	1	NA	""
"626396"	"626396"	"9-Tert-butyl-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	362449	""
"626402"	"626402"	"5-[(Z)-1-Chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one"	"[O-][N+](=O)c1cc2c(cc1\C(=C\c3ccccc3)\Cl)C(=O)C(=[N+]2[O-])c4ccccc4"	0	""	""	1	1	5704789	""
"626405"	"626405"	"1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile"	"O=C1CC(C(=O)N1c2ccccc2)C3(CCCCC3=O)C#N"	0	""	""	1	1	362458	""
"626410"	"626410"	"17.alpha.-Methyl-4-androsteno[3,2-c]isoxaole-4,17-diol"	"C[C@]1(O)CCC2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"626411"	"626411"	"4-Oxo-5.alpha.-androstano[2,3-d]isoxazol-17.beta.-ol ace..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4C(=O)c5oncc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"626412"	"626412"	"3-Oxo-4-androstene-2-carbonitrile-4,17.beta.-diol"	"C[C@]12CCC3[C@@H](CCC4=C(O)C(=O)C(C[C@]34C)C#N)C1CC[C@@H]2O"	0	NA	NA	1	1	NA	""
"626414"	"626414"	"4,17.beta.-Dihydroxy-3-oxo-4-androstene -2-carbonitrile-..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(O)C(=O)C(C[C@]4(C)C3CC[C@]12C)C#N"	0	NA	NA	1	1	NA	""
"626421"	"626421"	"11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole, 8-..."	"COc1ccc2[nH]c3c(cnn4cnnc34)c2c1"	0	""	""	1	1	135429957	""
"626424"	"626424"	""	"COC(=O)\C=C\1/C2CC3CC(C2)C(O)C1C3"	0	NA	NA	1	1	NA	""
"626433"	"626433"	"3-Nitro-5-formylisoxazole"	"[O-][N+](=O)c1cc(on1)C=O"	0	""	""	1	1	362479	""
"626482"	"626482"	"1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]py..."	"COC1=CC(=O)c2c(O)c3C(O)OC(=Cc3c(O)c2C1=O)C"	0	""	""	3	2	148043	""
"626516"	"626516"	"Cambridge id 7137130"	"OC(=O)c1ccccc1NC(=O)C2CCCCC2"	0	""	""	1	1	362493	""
"626519"	"626519"	"OVIZECCRTFGJFQ-UHFFFAOYSA-N"	"COC(=O)c1ccc(Cl)cc1NC(=O)C2CCCCC2"	0	""	""	1	1	362496	""
"626522"	"626522"	"6-Chloro-2-(4-nitrophenyl)quinazolin-4(1H)-one"	"[O-][N+](=O)c1ccc(cc1)C2=Nc3ccc(Cl)cc3C(=O)N2"	0	""	""	1	1	135439371	""
"626527"	"626527"	"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol"	"Oc1c(cnc2cc(c(cc12)\C(=C\c3ccccc3)\Cl)[N+](=O)[O-])c4ccccc4"	0	""	""	2	1	5903258	""
"626539"	"626539"	"3,5-Bis(methylsulfanyl)dithiol-1-ium-4-olate"	"CSc1[s+]sc(SC)c1O"	0	""	""	1	1	362515	""
"626540"	"626540"	"1,3-Propanediamine, N-(2-chloroethyl)-N'-(2-methoxy-9- a..."	"COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1"	0	NA	NA	4	3	NA	""
"626541"	"626541"	""	"CCN(CCCl)CCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	2	2	NA	""
"626552"	"626552"	"N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine"	"CN(COC(=O)C(C)(C)C)c1nc(nc(n1)N(C)COC(=O)C(C)(C)C)N(C)COC(=O)C(C)(C)C"	0	""	""	1	1	362525	""
"626554"	"626554"	"Diazaquinomycin A"	"CCCC1=C(C)C(=O)NC2=C1C(=O)C3=C(NC(=O)C(=C3CCC)C)C2=O"	0	""	""	1	1	122105	""
"626577"	"626577"	"(-)-Roemeridine"	"CO[C@@H]1C[C@]2(CC[C@]13NCCc4c3[nH]c5cc(OC)c(OC)cc45)CC6N(C)CCc7cc(OC)c(O)c2c67"	0	""	""	1	1	5459132	""
"626608"	"626608"	"Santolina polyacetylene 18"	"CC#CC#C\C=C/1\OC2(OC=CC2OC(=O)C)C=C1"	0	NA	NA	2	1	NA	""
"626621"	"626621"	"2-{(E)-[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid"	"CC1=NN(C(=O)c2ccc(C)cc2)C(=O)C1N=Nc3ccccc3C(=O)O"	0	""	""	2	1	362547	""
"626622"	"626622"	"2-[(E)-(1-Benzoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid"	"CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc3ccccc3C(=O)O"	0	""	""	2	2	362548	""
"626628"	"626628"	"1,3-Bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea"	"Oc1ccc(Br)cc1\C=N\NC(=O)N\N=C\c2cc(Br)ccc2O"	0	""	""	1	1	135429959	""
"626629"	"626629"	"Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-me..."	"CC(C(=O)O)\C(=C/c1ccc2OCOc2c1)\C(=O)O"	0	NA	NA	4	2	NA	""
"626645"	"626645"	"Erybraedin A"	"CC(=CCc1c(O)ccc2C3Oc4c(CC=C(C)C)c(O)ccc4C3COc12)C"	0	""	""	2	1	362562	""
"626661"	"626661"	"3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone"	"CN(C1C(\C=C\c2ccccc2)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	5387746	""
"626669"	"626669"	"Dioxidanium;benzeneseleninate;platinum(2+)"	"[OH2+][Pt+2]([OH2+])([SeH](=O)([O-])c1ccccc1)[SeH](=O)([O-])c2ccccc2"	0	""	""	2	2	24202093	""
"626670"	"626670"	"Copper;(dioxo-lambda5-selanyl)benzene"	"O[SeH](=O)([Cu+2][SeH](=O)(O)c1ccccc1)c2ccccc2"	0	""	""	2	1	6381338	""
"626673"	"626673"	"4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one"	"OC1C2C(CCC2=C)C(=C)CC3OC(=O)C(=C)C13"	0	""	""	1	1	362584	""
"626674"	"626674"	""	"CCCC(C)OC1[C@@H](O)[C@@H](C)C(O)C2O[C@]2(C)[C@@H](O)[C@@H]3OC(=O)C(=C)C13"	0	NA	NA	1	1	NA	""
"626676"	"626676"	""	"C[C@H]1CCC2[C@@H](CN(C)C)C(=O)OC2[C@]3(C)C(=O)C=CC13O"	0	NA	NA	2	2	NA	""
"626677"	"626677"	""	"C[C@H]1CCC2C(CN3CCCCC3)C(=O)OC2[C@]4(C)C(=O)CC(N5CCCCC5)C14O"	0	NA	NA	1	1	NA	""
"626715"	"626715"	"10-EdAM"	"CCC(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	54586	"80576836"
"626734"	"626734"	"4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1..."	"COc1ccc(cc1)C2C(C)C(=O)C(C)C(N2N=O)c3ccc(OC)cc3"	0	""	""	7	5	362604	""
"626735"	"626735"	"4-Piperidinone, 3,5-dimethyl-1-nitroso-2,6-diphenyl-"	"CC1C(N(N=O)C(C(C)C1=O)c2ccccc2)c3ccccc3"	0	""	""	6	2	362605	""
"626736"	"626736"	"1-Nitroso-2,6-diphenylpiperidine"	"O=NN1C(CCCC1c2ccccc2)c3ccccc3"	0	""	""	2	1	362606	""
"626737"	"626737"	"2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one"	"COc1ccc(cc1)C2C3CCCC(C(N2N=O)c4ccc(OC)cc4)C3=O"	0	""	""	2	1	362607	""
"626740"	"626740"	"3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone"	"CC1C(N(N=O)C(CC1=O)c2cccs2)c3cccs3"	0	""	""	2	1	362610	""
"626741"	"626741"	"3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one"	"O=NN1C(C2CCCC(C1c3ccccc3)C2=O)c4ccccc4"	0	""	""	2	1	362611	""
"626742"	"626742"	"3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	"CC1NC(=O)C(C)C(N(N=O)C1c2ccccc2)c3ccccc3"	0	""	""	2	1	362612	""
"626744"	"626744"	"3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one"	"CC1NC(=O)CC(N(N=O)C1c2ccccc2)c3ccccc3"	0	""	""	2	1	362614	""
"626757"	"626757"	"1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1ccccc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	362616	""
"626758"	"626758"	"1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1ccccc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	362617	""
"626759"	"626759"	"1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	362618	""
"626760"	"626760"	"1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"FC(F)(F)c1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	362619	""
"626764"	"626764"	"3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol"	"Oc1cccc(c1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	362623	""
"626767"	"626767"	"1-(5-Chloro-2-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"[O-][N+](=O)c1ccc(Cl)cc1C2SCc3nc4ccccc4n23"	0	""	""	1	1	362626	""
"626773"	"626773"	"[(4S,5S,13S)-5,9,13-Trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol"	"C[C@]12CCC3C4(C)CCC[C@](C)(CO)[C@H]4CCC3(C1)C=C2"	0	""	""	2	1	5459140	""
"626775"	"626775"	""	"C[C@H]1CCC2[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)C3CC[C@@]2(C)C14Cc5c(OC(=O)C)c(OC(=O)C)cc(C)c5O4"	0	NA	NA	1	1	NA	""
"626778"	"626778"	"7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene"	"CC(Cl)(\C=C\Cl)C(Cl)\C=C\C(Cl)(CCl)CBr"	0	""	""	2	1	5387751	""
"626807"	"626807"	"3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,1"	"Cc1cc(O)c2\C=N\N=C\c3c(O)cc(C)c4C(=O)Oc5c(CO)c(O)c(C(=O)O)c(\C=N\N=C\c6c7Oc2c1C(=O)Oc7c(CO)c(O)c6C(=O)O)c5Oc34"	0	""	""	1	1	135429960	""
"626819"	"626819"	""	""	0	NA	NA	1	1	NA	""
"626826"	"626826"	"1,3,4-Thiadiazole, 2,3-dihydro-3,5-diphenyl-2- (1,2,3,4-..."	"OCC(O)C(O)C(O)C1SC(=NN1c2ccccc2)c3ccccc3"	0	""	""	4	1	362640	""
"626850"	"626850"	"Furan-2-glyoxal-2'-amino thiophenol"	"Sc1ccccc1\N=C\C(=O)c2occc2"	0	""	""	1	1	362641	""
"626854"	"626854"	"Cobalt(2+);2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate"	"O1=C(C=[N+]2c3ccccc3[SH-][Co+2]1245O=C(C=[N+]4c6ccccc6[SH-]5)c7occc7)c8occc8"	0	""	""	1	1	498366	""
"626858"	"626858"	""	"O=C1[O-][Co+2]234(O=C(C=[N+]2c5ccccc5C(=O)[O-]3)c6cccs6)O=C(C=[N+]4c7ccccc17)c8cccs8"	0	NA	NA	1	1	NA	""
"626867"	"626867"	"Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid"	"CCCSCC(P(=O)(O)O)P(=O)(O)O"	0	""	""	2	1	362651	""
"626868"	"626868"	"Naphtho[2,3-d]-1,3-dioxepin-6,11-dione, 4-methyl-"	"CC1=CC2=C(OCO1)C(=O)c3ccccc3C2=O"	0	""	""	2	2	362653	""
"626874"	"626874"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(2-methoxy-..."	"COc1ccccc1\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	5	3	5387758	""
"626875"	"626875"	"KACHONGZICJHPM-KRWCAOSLSA-N"	"CCOC(=O)COc1ccccc1\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	3	2	5387760	""
"626876"	"626876"	"2-Cyclopenten-1-one, 5-[(dimethylamino)methyl]-2-[2-[4- ..."	"CC(C)Cc1ccc(cc1)C(C)CC2=CCC(CN(C)C)C2=O"	0	""	""	4	3	362663	""
"626877"	"626877"	"5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride"	"CCCCCCCCC1=CCC(CN(C)C)C1=O"	0	""	""	2	1	362665	""
"626878"	"626878"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-pentylidene-..."	"CCCC\C=C/1\CCC(CN(C)C)C1=O"	0	""	""	6	3	5387762	""
"626879"	"626879"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-heptylidene-..."	"CCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	6	6	5387764	""
"626880"	"626880"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-hydroxy-..."	"CN(C)CC1CC\C(=C/c2ccc(O)cc2)\C1=O"	0	""	""	5	4	5387766	""
"626881"	"626881"	"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1CC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	""	""	3	3	5387768	""
"626883"	"626883"	"Benzenepropenoic acid, 3-methoxy-4-[(phenylethenyloxy) c..."	"COc1cc(\C=C\C(=O)Oc2ccccc2)ccc1C(=O)O\C=C\c3ccccc3"	0	""	""	3	1	5909308	""
"626887"	"626887"	"2-[4-(2-Methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride"	"CC(C)Cc1ccc(cc1)C(C)C(=O)N2CCN(CC2)\C=C\c3ccccc3"	0	""	""	2	1	6516123	""
"626915"	"626915"	"7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-4-one"	"Cc1nn2C(=O)N(N=Nc2c1c3ccccc3)c4cccc(N5N=Nc6c(c(C)nn6C5=O)c7ccccc7)c4C"	0	""	""	1	1	362684	""
"626923"	"626923"	"N1-(4-hydroxy-1,2-butadien-1-yl)-cytosine (cytallene)"	"NC1=NC(=O)N(C=C=CCO)C=C1"	0	""	""	4	3	135436546	""
"626952"	"626952"	"N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine"	"COc1ccc(\C=C\CN(C)CCc2ccccc2)cc1OC"	0	""	""	1	1	5387772	""
"627012"	"627012"	"LS-81895"	"Nc1ccc2CC3CC(=O)NN=C3c2c1"	0	""	""	2	1	362753	""
"627013"	"627013"	"9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one"	"Nc1cccc2CC3CC(=O)NN=C3c12"	0	""	""	2	1	362754	""
"627019"	"627019"	"N-[2-[Bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide"	"CC1(CC2(C)CC(C)(C1)C(=O)NC2=O)C(=O)NCCN(CCNC(=O)C3(C)CC4(C)CC(C)(C3)C(=O)NC4=O)CCNC(=O)C5(C)CC6(C)CC(C)(C5)C(=O)NC6=O"	0	""	""	1	1	362759	""
"627025"	"627025"	"(3As,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one"	"Cc1cc(C)c(C2=NO[C@@H]3[C@H]2C(=O)C=C4N(Cc5ccccc5)CCO[C@]34O)c(C)c1"	0	""	""	2	1	362763	""
"627050"	"627050"	"Dispiro[cyclopropane-1,2'(3'H)-naphthalene- 3',2''-imida..."	"CN1CCN(C)C12C=C3C=CC=CC3=CC24CC4"	0	""	""	4	1	362769	""
"627053"	"627053"	"2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole"	"FC(F)(F)c1nc(oc1Sc2nnc(Sc3oc(nc3C(F)(F)F)c4ccccc4)s2)c5ccccc5"	0	""	""	2	1	362772	""
"627124"	"627124"	"(3E)-2,2-Diphenyl-3-(phenylimino)-2,3-dihydro-5H-indol-5-one 1-oxide"	"[O-][N+]1=C2C=CC(=O)C=C2\C(=N\c3ccccc3)\C1(c4ccccc4)c5ccccc5"	0	""	""	1	1	362810	""
"627151"	"627151"	"1(6),3-Cyclohexadiene-1,3-dicarboxyaldehyde, 4,6-dichlor..."	"CN(C)C=C1C(=C(CC(=C1Cl)C=O)C=O)Cl"	0	""	""	1	1	362814	""
"627168"	"627168"	"Pyrazoloacridine"	"COc1ccc2Nc3c(ccc4c3c(nn4CCCN(C)C)c2c1)[N+](=O)[O-]"	0	"Db"	"Clinical trial"	3	2	339455	""
"627170"	"627170"	""	"CN[C@@H](C)[C@@H](N)c1ccccc1"	0	NA	NA	1	1	NA	""
"627172"	"627172"	""	"CN[C@@H](C)[C@@H](NC)c1ccccc1"	0	NA	NA	1	1	NA	""
"627198"	"627198"	"6-[N-(2-Hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione"	"Cc1[nH]nc2C(=O)C(=CC(=O)c12)N(CCO)c3ccccc3"	0	""	""	1	1	362828	""
"627206"	"627206"	"(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid"	"OC(=O)CNS(=O)(=O)c1ccc(NC(=O)CI)cc1"	0	""	""	1	1	362835	""
"627213"	"627213"	""	"OC(=O)[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c3ccccc3"	0	NA	NA	1	1	NA	""
"627221"	"627221"	""	"O=C(O\N=C\1/C(/CCCC1)=C/c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"627257"	"627257"	""	"[O-][N+](=O)c1ccc(cc1)n2nnc(C[C@@]3([C@H](C(=C(C3=O)c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7)c2N8CCOCC8"	0	NA	NA	1	1	NA	""
"627268"	"627268"	"Ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate"	"CCOC(=O)c1ccc(cc1)N2C(=O)\C(=C/OC)\c3ccccc3C2=O"	0	""	""	1	1	3004090	""
"627321"	"627321"	"(4-Methylphenyl)ethynyl trifluoromethyl sulfone"	"Cc1ccc(cc1)C#CS(=O)(=O)C(F)(F)F"	0	""	""	2	1	362876	""
"627322"	"627322"	""	""	0	NA	NA	1	1	NA	""
"627349"	"627349"	"N-(2-Bromotetradecanoyl)glycinamide"	"CCCCCCCCCCCCC(Br)C(=O)NCC(=O)N"	0	""	""	1	1	362877	""
"627359"	"627359"	"O-Methyl (decylamino)methanethioate"	"CCCCCCCCCCNC(=S)OC"	0	""	""	1	1	3004095	""
"627371"	"627371"	"2,1,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-"	"[O-][N+](=O)c1cc(cc2n[se]nc12)C(F)(F)F"	0	""	""	5	4	362897	""
"627375"	"627375"	""	"CC(C)(C)c1cc(Cc2ccc(cc2)[N+](C)(C)C)c(O)c(c1)C(C)(C)C"	0	NA	NA	1	1	NA	""
"627387"	"627387"	"2-(1H-Indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol"	"CC1(C)CC(=CC2=Nc3ccccc3C12O)c4c[nH]c5ccccc45"	0	""	""	1	1	362912	""
"627392"	"627392"	"5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CC(C)C1CC2C(C(=O)N(C2=O)c3ccccc3)c4[nH]c5ccccc5c14"	0	""	""	1	1	362917	""
"627393"	"627393"	"5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCCCCCCCCC1C(C)c2c([nH]c3ccccc23)C4C1C(=O)N(C4=O)c5ccccc5"	0	""	""	1	1	362918	""
"627404"	"627404"	"Diphtaloylcarbazol"	"O=C1c2ccccc2C(=O)c3c1c4C(=O)c5ccccc5C(=O)c4c6c7ccccc7[nH]c36"	0	""	""	2	1	362928	""
"627405"	"627405"	"8-Chloro-2-cyclohexylquinazolin-4(1H)-one"	"Clc1cccc2C(=O)NC(=Nc12)C3CCCCC3"	0	""	""	2	1	135408204	""
"627410"	"627410"	"DWPHGNLALUNFLR-UHFFFAOYSA-N"	"COC(=O)c1cc(Cl)ccc1NC(=O)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	362934	""
"627450"	"627450"	"Maybridge4_003412"	"CSC1=C(SC)SC(=S)S1"	0	""	""	2	1	362959	""
"627452"	"627452"	"6-Phenyl-2-thioxo[1,3]dithiolo[4,5-b][1,4]dithiin-5(6H)-one"	"O=C1SC2=C(SC1c3ccccc3)SC(=S)S2"	0	""	""	2	1	362961	""
"627454"	"627454"	"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid"	"OC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)O"	0	""	""	2	1	362963	""
"627455"	"627455"	"2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid"	"OC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1)C(=O)O"	0	""	""	2	1	362964	""
"627459"	"627459"	"[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate"	"COc1ccc2c(CCc3c(CO)c(COC(=O)NC(C)C)n(C)c23)c1"	0	""	""	3	2	362968	""
"627474"	"627474"	""	"C[N+]1(C)CC23=C4C5=C6[C-2]2([Sn+4]17([ClH-])([ClH-])[C-2]89C%10=C%11C%12=C8(C[N+]7(C)C)[Fe+2]9%10%11%12%13%14%15%16C%17=C%13[CH-]%14C%15=C%16%17)[Fe+2]3456%18%19%20%21C%22=C%18[CH-]%19C%20=C%21%22"	0	NA	NA	2	2	NA	""
"627480"	"627480"	"TGF .beta.1"	""	0	NA	NA	2	1	NA	""
"627505"	"627505"	"ellipticine"	"COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	"TOP2"	""	19	18	NA	""
"627506"	"627506"	""	"CC1=C[C@@H]2[C@H](CC1)C(c3c[nH]c4ccccc34)c5[nH]c6ccccc6c25"	0	NA	NA	1	1	NA	""
"627508"	"627508"	"4-Hydroxymethyl-2-phenyl-tellurophene"	"OCc1c[te]c(c1)c2ccccc2"	0	""	""	1	1	362976	""
"627511"	"627511"	"2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one"	"CC(=O)c1cc2CCN3C(=O)c4cc5OCOc5cc4c(c1)c23"	0	""	""	1	1	362980	""
"627512"	"627512"	"2,4-di(benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid"	"OC(=O)C(CC(=O)c1ccc2OCOc2c1)c3ccc4OCOc4c3"	0	""	""	3	2	362981	""
"627515"	"627515"	""	"COc1ccc(Br)c(CN2CCc3ccccc23)c1OS(=O)(=O)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"627546"	"627546"	"8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one"	"COc1cc2ccnc3C(=C(SC)SC)C(=O)c(c1OC)c23"	0	""	""	1	1	363007	""
"627547"	"627547"	""	"OC[C@@H]1CCCN1C(=O)c2ccc(cc2)C(C#N)C#N"	0	NA	NA	1	1	NA	""
"627549"	"627549"	""	"COc1cc2COC(=O)\C(=C\c3ccccc3N)\c2cc1OC"	0	NA	NA	1	1	NA	""
"627550"	"627550"	"1,4-Epoxyanthracene, 1,4-diphenyl-2,2,3,3-tetracyano- 1,..."	"N#CC1(C#N)C2(OC(c3ccccc3)(c4cc5ccccc5cc24)C1(C#N)C#N)c6ccccc6"	0	""	""	2	2	363011	""
"627552"	"627552"	"triphenyl[?]dione"	"O=C1C2C(C(=O)N1c3ccccc3)C4(OC2(c5ccccc5)c6ccccc46)c7ccccc7"	0	""	""	1	1	363013	""
"627553"	"627553"	""	"O=S1(=O)[C@H](c2ccccc2)c3c(sc(c4ccccc4)c3[C@@H]1c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"627554"	"627554"	""	"O=S1[C@H](c2ccccc2)c3c([C@@H]1c4ccccc4)c(sc3c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"627555"	"627555"	"1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester"	"COC(=O)C1=C(C(=O)OC)C2(OC1(c3ccccc3)c4cc5ccccc5cc24)c6ccccc6"	0	""	""	1	1	363016	""
"627563"	"627563"	"(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)"	"OC(c1ccccc1)c2c(oc(c3ccccc3)c2C(O)c4ccccc4)c5ccccc5"	0	""	""	1	1	363019	""
"627564"	"627564"	"[4-[Hydroxy(phenyl)methyl]-2,5-diphenyl-1H-pyrrol-3-yl]-phenyl-methanol"	"OC(c1ccccc1)c2c(C(O)c3ccccc3)c([nH]c2c4ccccc4)c5ccccc5"	0	""	""	1	1	363020	""
"627569"	"627569"	"Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate"	"COC(=O)c1ss2sc3CCCCc3c2c1C(=O)OC"	0	""	""	1	1	363025	""
"627581"	"627581"	"5H-Naphtho[1,8-cd]isoxazol-5-one"	"O=C1C=Cc2noc3cccc1c23"	0	""	""	1	1	363037	""
"627583"	"627583"	"6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene"	"Clc1cc(Cl)c2c(Cl)cc(Cl)c3N=S=Nc1c23"	0	""	""	1	1	363039	""
"627591"	"627591"	"trans, trans-.alpha.,.alpha.'-Dipiperonylidene succinic ..."	"O=C1OC(=O)\C(=C/c2ccc3OCOc3c2)\C\1=C\c4ccc5OCOc5c4"	0	""	""	2	1	5387806	""
"627593"	"627593"	"3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde"	"COc1ccc(cc1OC)\C(=C(/C=O)\c2ccccc2)\Cl"	0	""	""	1	1	3004103	""
"627605"	"627605"	"2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate"	"O=C1C([Se]C(=[N+]1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	363056	""
"627618"	"627618"	"1-(11,12,13,14-Tetrachloro-17,17-dimethoxy-4-pentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1(16),2,4,6,8,12-hexaenyl)ethanone"	"COC1(OC)C2(Cl)C3C(c4ccc(C(=O)C)c5cccc3c45)C1(Cl)C(=C2Cl)Cl"	0	""	""	2	2	363066	""
"627624"	"627624"	"2-benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	"[O-][N+](=O)c1ccccc1CC2(C#N)N(C3C(c4ccccc24)C3(Cl)Cl)C(=O)c5ccccc5"	0	""	""	1	1	363072	""
"627638"	"627638"	"Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate"	"CCOC(=O)C1=CC=CC(=O)C(=C1)C(=O)OCC"	0	""	""	1	1	363077	""
"627650"	"627650"	"(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate"	"COc1cc2CCN(C)C3C(C(OC(=O)C)c4ccccc4)c5ccccc5c(c1OC)c23"	0	""	""	1	1	363085	""
"627651"	"627651"	"Benzene, 5,5'-[(1,4-phenylene)bis (2,1-ethenediyl)]bis[1..."	"COc1cc(\C=C\c2ccc(\C=C\c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC"	0	""	""	3	3	5387813	""
"627652"	"627652"	"11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone"	"O=C1C2C(C3C4C(C2c5ccccc35)C(=O)N(C4=O)c6ccccc6)C(=O)N1c7ccccc7"	0	""	""	1	1	363087	""
"627654"	"627654"	"dibromo(diphenyl)[?]tetrone"	"BrC12C3C(C(=O)N(C3=O)c4ccccc4)C(Br)(C5C1C(=O)N(C5=O)c6ccccc6)c7ccccc27"	0	""	""	2	1	363088	""
"627664"	"627664"	"2-Benzoyl-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dichloro-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile"	"COc1cc(Br)c(CC2(C#N)N(C3C(c4ccccc24)C3(Cl)Cl)C(=O)c5ccccc5)cc1OC"	0	""	""	1	1	363094	""
"627666"	"627666"	"1H-Benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a- carbonit..."	"COc1cc2CCN(C(=O)c3ccccc3)C4(Cc5cc6OCOc6cc5c(c1OC)c24)C#N"	0	""	""	4	3	363096	""
"627669"	"627669"	"1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate"	"COc1cc2c(nccc2c(OC)c1OC)[C@@H](OC(=O)c3ccccc3)c4ccc5OCOc5c4"	0	""	""	1	1	6711456	""
"627677"	"627677"	"4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	"Oc1c2c(nn1c3ccccc3)c4ccccc4c[n+]2Cc5ccccc5"	0	""	""	1	1	363107	""
"627683"	"627683"	""	"COc1ccc(Br)c(N\N=C\2/CCCNC2=O)c1"	0	NA	NA	1	1	NA	""
"627684"	"627684"	"Diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate"	"CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c3ccccc3)C(=O)OCC"	0	""	""	1	1	363116	""
"627687"	"627687"	"7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine"	"BrC1=CC=C2NC=CC3=CC=NC1C23"	0	""	""	2	2	363119	""
"627695"	"627695"	"3-Hydroxymethyl-6,7-(methylenedioxy)-1-[3,4-(methylenedi..."	"O=C1OCc2c1cc3cc4OCOc4cc3c2c5ccc6OCOc6c5.O=C7OCc8cc9cc%10OCOc%10cc9c(c%11ccc%12OCOc%12c%11)c78"	0	""	""	1	1	363126	""
"627696"	"627696"	"6,7-Methylenedioxy-1-(3',4'-methylenedioxyphenyl)naphtha..."	"O=C1OC(=O)c2c1cc3cc4OCOc4cc3c2c5ccc6OCOc6c5"	0	""	""	1	1	363129	""
"627697"	"627697"	""	"CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN"	0	NA	NA	1	1	NA	""
"627727"	"627727"	".beta.-Amanitin"	"CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N5CC(O)CC5C(=O)NC(C(C)C(O)CO)C(=O)N2"	0	""	""	2	2	2276	""
"627728"	"627728"	"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine"	"NC(=N)NS(=O)(=O)c1ccc(NCCc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	363144	""
"627730"	"627730"	"N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c3ccccc3nc4ccccc24"	0	""	""	1	1	363146	""
"627731"	"627731"	"2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid"	"NC(=N)NCCCC(Nc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	1	1	363147	""
"627732"	"627732"	"STL050306"	"NC(=O)CCC(Nc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	1	1	363148	""
"627733"	"627733"	"2-(acridin-9-ylamino)-3-sulfanylpropanoic acid"	"OC(=O)C(CS)Nc1c2ccccc2nc3ccccc13"	0	""	""	1	1	363149	""
"627736"	"627736"	"2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid"	"NC(=N)NCCCC(NCc1c2ccccc2nc3ccccc13)C(=O)O"	0	""	""	2	2	363151	""
"627740"	"627740"	"((9-Acridinylmethyl)amino)acetic acid"	"OC(=O)CNCc1c2ccccc2nc3ccccc13"	0	""	""	3	2	363154	""
"627744"	"627744"	""	"C[n+]1c2ccccc2cc3c(CNC(CCCNC(=N)N)C(=O)O)cccc13"	0	NA	NA	2	2	NA	""
"627745"	"627745"	""	"C[n+]1c2ccccc2c(CNC(CCC(=O)N)C(=O)O)c3ccccc13"	0	NA	NA	5	4	NA	""
"627747"	"627747"	""	"CC(C)C(NCc1c2ccccc2[n+](C)c3ccccc13)C(=O)O"	0	NA	NA	2	2	NA	""
"627748"	"627748"	""	"C[n+]1c2ccccc2c(CNCC(=O)O)c3ccccc13"	0	NA	NA	1	1	NA	""
"627749"	"627749"	""	"C[n+]1c2ccccc2c(CNc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc14"	0	NA	NA	1	1	NA	""
"627757"	"627757"	"17.alpha.-Aza-D-homo-5-androseno[16,17-d]isoxazol-3.beta..."	"CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)Nc5oncc5CC4[C@@H]3CC=C2C1"	0	NA	NA	1	1	NA	""
"627759"	"627759"	"2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3...."	"CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)Nc5c(CC4[C@@H]3CC=C2C1)cnn5c6ccccc6"	0	NA	NA	1	1	NA	""
"627760"	"627760"	"2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3.b..."	"C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1Cc5cnn(c5N2)c6ccccc6"	0	NA	NA	1	1	NA	""
"627767"	"627767"	"4-Aza-5.alpha.-androstano[3,2-c]pyrazol-17. beta.-yl ace..."	"CC(=O)O[C@H]1CCC2[C@@H]3CCC4Nc5[nH]ncc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"627769"	"627769"	"4-Aza-5.alpha.-cholestano[3,2-c]isoxazole"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Nc5nocc5C[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"627771"	"627771"	"4-Aza-2'-phenyl-5.alpha.-cholestano[3,2-c]pyrazole"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Nc5c(C[C@]4(C)C3CC[C@]12C)cnn5c6ccccc6"	0	NA	NA	1	1	NA	""
"627774"	"627774"	"3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one"	"CC1=C2C(=[O][B+3]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]2)C=CN1"	0	""	""	1	1	494604	""
"627777"	"627777"	"1,3-Propanedinitrile, 2-[[4-[4-(dimethylamino)phenyl]imi..."	"CN(C)c1ccc(cc1)\N=C/2\C=CC(=C(C#N)C#N)c3ccccc23"	0	""	""	4	3	363173	""
"627778"	"627778"	"8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-"	"CCN(CC)c1ccc(\N=C\2/C=C(Cl)C(=O)c3ncccc23)c(C)c1"	0	""	""	1	1	363174	""
"627781"	"627781"	"UVFDAEOUCRNSKO-UHFFFAOYSA-N"	"COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1"	0	""	""	1	1	363177	""
"627787"	"627787"	"2,3-Dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g] indolois..."	"COc1cc2cc[n+]3c(C(=O)c4ccccc34)c2cc1OC"	0	NA	NA	4	4	NA	""
"627858"	"627858"	"Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate"	"COC(=O)c1ccc(cc1)N=NN(C)COc2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	1	363185	""
"627868"	"627868"	"3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide"	"O=C(Cc1c(CC(=O)Nc2ccccc2)c(sc1C(=O)Nc3ccccc3)C(=O)Nc4ccccc4)Nc5ccccc5"	0	""	""	1	1	363194	""
"627872"	"627872"	"1'-(4-Methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]"	"Cc1ccc(cc1)S(=O)(=O)N2CCC3(C2c4ccccc4)C(=Nc5ccccc35)\C=C\c6ccccc6"	0	""	""	1	1	5387833	""
"627887"	"627887"	""	"CC(C)C(Nc1c2ccccc2[n+](C)c3ccccc13)C(=O)O"	0	NA	NA	1	1	NA	""
"627890"	"627890"	"2-Hydroxy-5-({(E)-[(10-hydroxyacridin-9(10H)-ylidene)methyl]diazenyl}sulfonyl)benzoic acid"	"OC(=O)c1cc(ccc1O)S(=O)(=O)N\N=C/c2c3ccccc3[n+]([O-])c4ccccc24"	0	""	""	1	1	363212	""
"627891"	"627891"	"9-({(E)-[(4-Methylphenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol"	"Cc1ccc(cc1)S(=O)(=O)N\N=C/c2c3ccccc3[n+]([O-])c4ccccc24"	0	""	""	1	1	363213	""
"627894"	"627894"	"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid"	"OC(=O)C(CS)NCc1c2ccccc2[n+]([O-])c3ccccc13"	0	""	""	1	1	494613	""
"627895"	"627895"	"3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid"	"CC(C)C(NCc1c2ccccc2[n+]([O-])c3ccccc13)C(=O)O"	0	""	""	1	1	494614	""
"627897"	"627897"	"1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(NCc2c3ccccc3[n+]([O-])c4ccccc24)cc1"	0	""	""	1	1	494616	""
"627972"	"627972"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-"	"CN1C(=O)N=C2N(c3ccccc3C)c4ccccc4N=C2C1=O"	0	""	""	1	1	363226	""
"627973"	"627973"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-"	"CN1C(=O)N=C2N(c3ccc(C)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363227	""
"627974"	"627974"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(C)cc3C)c4ccccc4N=C2C1=O"	0	""	""	1	1	363228	""
"627975"	"627975"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cc(C)cc(C)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363229	""
"627976"	"627976"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cccc(Cl)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363230	""
"627977"	"627977"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccccc3N=C2C1=O)c4cc(Cl)ccc4Cl"	0	""	""	1	1	363231	""
"627979"	"627979"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3cccc(F)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363233	""
"627980"	"627980"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(F)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363234	""
"627981"	"627981"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(F)c(F)c3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363235	""
"627983"	"627983"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(Br)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363237	""
"627984"	"627984"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-"	"CCc1ccccc1N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	363238	""
"627985"	"627985"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-"	"CCCCc1ccc(cc1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	363239	""
"627986"	"627986"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(O)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363240	""
"627987"	"627987"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-"	"COc1cccc(c1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	363241	""
"627988"	"627988"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-"	"CSc1cccc(c1)N2C3=NC(=O)N(C)C(=O)C3=Nc4ccccc24"	0	""	""	1	1	363242	""
"627990"	"627990"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4ccc(Cl)cc4N=C2C1=O"	0	""	""	1	1	363244	""
"627991"	"627991"	"Benzo[g]pteridine-2,4-dione, 8-chloro-10-(4-chlorophenyl..."	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4cc(Cl)ccc4N=C2C1=O"	0	""	""	6	4	363245	""
"627992"	"627992"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-"	"CN1C(=O)N=C2N(c3ccc(Cl)cc3)c4cc(C)c(C)cc4N=C2C1=O"	0	""	""	1	1	363246	""
"627993"	"627993"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-"	"CCN1C(=O)N=C2N(c3ccc(SC)cc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363247	""
"627994"	"627994"	"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-"	"CCN1C(=O)N=C2N(c3ccccc3)c4ccccc4N=C2C1=O"	0	""	""	1	1	363248	""
"628000"	"628000"	"4b-Hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one"	"COC1(OC)C2C(=O)c3ccccc3C2(O)c4ccccc14"	0	""	""	1	1	363252	""
"628009"	"628009"	"(3E)-3-[(5-Methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one"	"COc1ccc(c(N\N=C\2/CCCNC2=O)c1)c3ccccc3"	0	""	""	1	1	5930141	""
"628013"	"628013"	"C18H19ClN2O"	"COc1ccc(cc1)C2NCCc3c2[nH]c4ccccc34"	0	""	""	1	1	198915	""
"628018"	"628018"	"1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione"	"Clc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)OC(=O)c24"	0	""	""	1	1	363267	""
"628081"	"628081"	"Glucose/Amide/PEG Amine/Carbonyl/Hexamethylene/ Carbamoy..."	"OCC(O)C(O)C(O)C(O)C(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	4	3	363286	""
"628082"	"628082"	"Glucose/Amide/PEG Amine/Carbonyl/Hexamethylene/ Carbamoy..."	"OCC(O)C(O)C(O)C(O)C(=O)NCCCOCCOCCCNC(=O)NCCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	2	1	438243	""
"628083"	"628083"	"Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamo..."	"OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)NCCCCCCNC(=O)N2C=C(F)C(=O)NC2=O"	0	""	""	5	4	363287	""
"628114"	"628114"	"9-N(N'-chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxya..."	"CCN(CCCl)CCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	4	4	NA	""
"628115"	"628115"	"9-N(N'-chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxy..."	"COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1"	0	NA	NA	5	3	NA	""
"628121"	"628121"	"[acetyl(diphenyl)[?]yl] acetate"	"CC(=O)OC1(CC2(OC1(c3ccccc3)c4ccccc24)c5ccccc5)C(=O)C"	0	""	""	1	1	363302	""
"628122"	"628122"	"20-Benzoyl-19-methoxy-4,6-dioxa-20-azapentacyclo[10.6.2.02,10.03,7.013,18]icosa-2(10),3(7),8,13,15,17-hexaene-12-carbonitrile"	"COC1C2c3ccccc3C(Cc4ccc5OCOc5c24)(C#N)N1C(=O)c6ccccc6"	0	""	""	1	1	363303	""
"628123"	"628123"	"20-Benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile"	"COC1C2c3cc4OCOc4cc3CC(C#N)(N1C(=O)c5ccccc5)c6ccccc26"	0	""	""	1	1	363304	""
"628133"	"628133"	"Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate"	"S1C(Sc2ccccc12)[P+](c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	498418	""
"628139"	"628139"	"5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline"	"COc1cccc(c1)c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23"	0	""	""	1	1	363319	""
"628141"	"628141"	"2-Phenylquinolin-4-yl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2cc(nc3ccccc23)c4ccccc4"	0	""	""	2	2	363320	""
"628185"	"628185"	"triphenyl[?]tetrone"	"O=C1C2C3C=C4c5ccccc5N(c6ccccc6)C4(C7C3C(=O)N(C7=O)c8ccccc8)C2C(=O)N1c9ccccc9"	0	""	""	1	1	363328	""
"628199"	"628199"	"EN300-79332"	"O=C1Nc2ccccc2C13CCCC3"	0	""	""	1	1	363343	""
"628235"	"628235"	""	"Nc1ccc(CCN2CCN(CC2)c3cccc(c3)C(F)(F)F)cc1"	0	NA	NA	1	1	NA	""
"628241"	"628241"	"N-(2-Dimethylaminoethyloxy)adamantane-1-carboxamide"	"CN(C)CCONC(=O)C12CC3CC(CC(C3)C1)C2"	0	""	""	2	1	363358	""
"628279"	"628279"	"DL-2-amino-7-[bis(2-chloroethyl) amino]-1,2,3,4-tetrahyd..."	"NC1(CCc2ccc(cc2C1)N(CCCl)CCCl)C(=O)O"	0	""	""	1	1	363388	""
"628297"	"628297"	"AQ-358/41842922"	"COc1cc(O)c(C(=O)\C=C\c2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1"	0	""	""	1	1	5935211	""
"628298"	"628298"	"2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione"	"OC1(C(C(=O)c2ccccc2)C(=O)c3ccccc3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	363395	""
"628301"	"628301"	"3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione"	"O=C1C(=O)C(=C1c2cccc3ccccc23)c4cccc5ccccc45"	0	""	""	2	2	363398	""
"628312"	"628312"	"(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate"	"COc1cc2CCN(C3CC4(C=CC(=O)C=C4)c(c1OC)c23)C(=O)OC(C)(C)C(Cl)(Cl)Cl"	0	""	""	1	1	363408	""
"628336"	"628336"	"Acetic acid,[2-formyl-9,10-dihydro-5-methoxy-9,10- dioxo..."	"COc1c(CC(=O)C)ccc2C(=O)c3c(OC(=O)C)c(C=O)ccc3C(=O)c12"	0	""	""	1	1	363425	""
"628343"	"628343"	"1,2,4-Triazine-3,5(2H,4H) dithione, 6-benzyl-"	"S=C1NN=C(Cc2ccccc2)C(=S)N1"	0	""	""	2	1	3004106	""
"628417"	"628417"	""	"OC1COC(O)(CNN2C(=O)c3cc(Br)ccc3N=C2c4ccccc4Cl)C(O)C1O"	0	NA	NA	1	1	NA	""
"628441"	"628441"	""	"CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c4cnccc4n3C"	0	NA	NA	1	1	NA	""
"628442"	"628442"	"2-Hydroxy-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one"	"OC1CN2N(C1)c3ccccc3C2=O"	0	""	""	2	1	363510	""
"628445"	"628445"	"6-Chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole"	"Clc1ccc2[nH]c(CCSCCc3nc4ccc(Cl)cc4[nH]3)nc2c1"	0	""	""	1	1	363513	""
"628497"	"628497"	"9-N(N'-bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy a..."	"COc1ccc2nc3ccccc3c(NCCN(CCCl)CCCl)c2c1"	0	""	""	1	1	363534	""
"628498"	"628498"	"9-N(N'-chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy..."	"COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1"	0	NA	NA	4	3	NA	""
"628503"	"628503"	"Docetaxel"	"CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	8	3	148124	"114977285"
"628507"	"628507"	"1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,1..."	"O=C1C2=C(C(=O)c3ccccc13)C(C#N)(C4CCCN24)C5SCCS5=O"	0	""	""	6	2	363542	""
"628516"	"628516"	"1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"ON1CCc2c([nH]c3ccccc23)C1c4ccc(Cl)cc4"	0	""	""	1	1	363552	""
"628525"	"628525"	"5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-"	"BrC1=CC(=O)c2cccc3oc(c4ccccc4)c1c23"	0	""	""	3	2	363561	""
"628527"	"628527"	"2-Phenyl-5H-naphtho[1,8-bc]furan-5-one"	"O=C1C=Cc2c(oc3cccc1c23)c4ccccc4"	0	""	""	2	2	363563	""
"628529"	"628529"	"Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate"	"COC(=O)Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	3	1	438245	""
"628540"	"628540"	"1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate"	"CC(=O)OC12OC(=O)c3ccccc3N1C(=O)C=C2"	0	""	""	2	1	363568	""
"628559"	"628559"	"2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(C)c2O1"	0	""	""	1	1	16683124	""
"628560"	"628560"	"2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2ccc(C)cc2O1"	0	""	""	1	1	16683125	""
"628561"	"628561"	"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-"	"CCCC[Sn]1(CCCC)OC(=O)c2ccc(N)cc2O1"	0	""	""	3	3	16683126	""
"628562"	"628562"	"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-"	"Nc1ccc2C(=O)O[Sn](Oc2c1)(c3ccccc3)c4ccccc4"	0	""	""	4	2	16683127	""
"628563"	"628563"	"2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cc(I)cc(I)c2O1"	0	""	""	1	1	16683128	""
"628564"	"628564"	"2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccc(OC)c2O1"	0	""	""	2	2	16683129	""
"628565"	"628565"	"2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	"C[C-](C)(C)[Sn+4]123(N(CCN1c4ccccc4[O-]2)c5ccccc5[O-]3)[C-](C)(C)C"	0	""	""	1	1	16683130	""
"628566"	"628566"	"Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-"	"CCC[CH2-][Sn+4]12([CH2-]CCC)[O-]C(=O)C[N+]1(CCO)CC(=O)[O-]2"	0	""	""	2	2	16683131	""
"628568"	"628568"	"2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide"	"CCC[CH2-][Sn+4]12([CH2-]CCC)[O-]C(=O)C[N+]1(CC(=O)N)CC(=O)[O-]2"	0	""	""	1	1	16683133	""
"628570"	"628570"	"2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid"	"O=C1CN2CC(=O)[O-][Sn+4]2([CH2-]c3ccccc3)([CH2-]c4ccccc4)[O-]1"	0	""	""	1	1	16683135	""
"628571"	"628571"	"2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione"	"C[N+]12CC(=O)[O-][Sn+4]1([CH2-]c3ccccc3)([CH2-]c4ccccc4)[O-]C(=O)C2"	0	""	""	1	1	16683136	""
"628572"	"628572"	"2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid"	"CCC[CH2-][Sn+4]12(Nc3ccccc3C(=O)[O-]1)(Nc4ccccc4C(=O)[O-]2)[CH2-]CCC"	0	""	""	1	1	16684416	""
"628573"	"628573"	"[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate"	"CCC[CH2-][Sn+4]1([O-2][Sn+4]2(Nc3ccccc3C(=O)[O-]2)([CH2-]CCC)[CH2-]CCC)(Nc4ccccc4C(=O)[O-]1)[CH2-]CCC"	0	""	""	1	1	16683137	""
"628574"	"628574"	"2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"CCC[CH2-][Sn+4]123(N(CCN1CC(=O)[O-]2)CC(=O)[O-]3)[CH2-]CCC"	0	""	""	1	1	16683138	""
"628575"	"628575"	"2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"CCCCCCC[CH2-][Sn+4]123(N(CCN1CC(=O)[O-]2)CC(=O)[O-]3)[CH2-]CCCCCCC"	0	""	""	1	1	16683139	""
"628576"	"628576"	"2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid"	"O=C1CN2CCN3CC(=O)[O-][Sn+4]23([CH3-])([CH3-])[O-]1"	0	""	""	1	1	16683140	""
"628577"	"628577"	"2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol"	"CCC[CH2-][Sn+4]123(N(CCN1c4ccccc4[O-]2)c5ccccc5[O-]3)[CH2-]CCC"	0	""	""	1	1	16683141	""
"628580"	"628580"	"4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione"	"CCC[CH2-][Sn+4]12(N3C(=CC(=O)C=C3C(=O)[O-]1)C(=O)[O-]2)[CH2-]CCC"	0	""	""	1	1	16683144	""
"628586"	"628586"	"ANTINEOPLASTIC-628586"	"S(c1cccc2cccnc12)[Sn](c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	363590	""
"628587"	"628587"	"GNF-Pf-448"	"CCCC[Sn](CCCC)(Oc1cccc2cccnc12)Oc3cccc4cccnc34"	0	""	""	1	1	16683146	""
"628590"	"628590"	"Dibenzyl-bis(8-quinolylsulfanyl)stannane"	"C(c1ccccc1)[Sn](Cc2ccccc2)(Sc3cccc4cccnc34)Sc5cccc6cccnc56"	0	""	""	1	1	9569947	""
"628591"	"628591"	"Diphenyl-bis(8-quinolyloxy)stannane"	"O(c1cccc2cccnc12)[Sn](Oc3cccc4cccnc34)(c5ccccc5)c6ccccc6"	0	""	""	1	1	16683148	""
"628592"	"628592"	"Diphenyl-bis(8-quinolylsulfanyl)stannane"	"S(c1cccc2cccnc12)[Sn](Sc3cccc4cccnc34)(c5ccccc5)c6ccccc6"	0	""	""	2	2	9569948	""
"628593"	"628593"	"Bis(8-quinolyloxy)-divinyl-stannane"	"C=C[Sn](Oc1cccc2cccnc12)(Oc3cccc4cccnc34)C=C"	0	""	""	3	2	16683149	""
"628594"	"628594"	"Bis(8-quinolylsulfanyl)-divinyl-stannane"	"C=C[Sn](Sc1cccc2cccnc12)(Sc3cccc4cccnc34)C=C"	0	""	""	1	1	9569949	""
"628628"	"628628"	"5-Fluoro-1-(3-O-benzoyl-4,6-didexy-.beta.-L-glycero-hex-..."	"CC1OC(N2C=C(F)C(=O)NC2=O)C(=O)C(=C1)OC(=O)c3ccccc3"	0	""	""	1	1	363615	""
"628648"	"628648"	"2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"COc1ccc2c3CCN(Cc4ccccc4)C(C)c3[nH]c2c1[N+](=O)[O-]"	0	""	""	1	1	363619	""
"628649"	"628649"	"7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"COc1ccc2c3CCN(Cc4ccc(cc4)[N+](=O)[O-])C(C)c3[nH]c2c1[N+](=O)[O-]"	0	""	""	1	1	363620	""
"628650"	"628650"	"2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline"	"COc1ccc2c3CCN(C(C)c3[nH]c2c1[N+](=O)[O-])C(=O)\C=C\c4ccccc4"	0	""	""	1	1	5914033	""
"628659"	"628659"	""	"CC1CC[C@@]23CCC4(C)[C@]5(C)CCC6C(C)(C)C(=O)CC[C@]6(C)C5C=C[C@]4(OC2=O)[C@@H]3[C@H]1C"	0	NA	NA	1	1	NA	""
"628662"	"628662"	"(5S,8Ar)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc5OCOc5c4)c6cc7OCOc7cc26"	0	""	""	2	2	363633	""
"628663"	"628663"	"Benzoic acid, 4-[[5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3..."	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1"	0	""	""	11	11	363634	""
"628664"	"628664"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)N5CCOCC5)c6cc7OCOc7cc26"	0	""	""	1	1	363635	""
"628665"	"628665"	"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	3	3	363636	""
"628666"	"628666"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cnc5ccccc5c4)c6cc7OCOc7cc26"	0	""	""	2	2	363637	""
"628667"	"628667"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)c1"	0	""	""	2	2	363638	""
"628668"	"628668"	"Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate"	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1O"	0	""	""	2	2	363639	""
"628669"	"628669"	"(5S,8Ar)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(c4)C(=O)C)c5cc6OCOc6cc25"	0	""	""	2	2	363640	""
"628670"	"628670"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(c4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	363641	""
"628671"	"628671"	"Methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate"	"COC(=O)c1cccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)c1"	0	""	""	2	2	363642	""
"628672"	"628672"	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	NA	NA	11	11	NA	""
"628673"	"628673"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(Oc5ccccc5)cc4)c6cc7OCOc7cc26"	0	""	""	2	2	363644	""
"628674"	"628674"	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc5OCCOc5c4)c6cc7OCOc7cc26"	0	""	""	5	4	363645	""
"628675"	"628675"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(CO)c4)c5cc6OCOc6cc25"	0	""	""	2	2	363646	""
"628676"	"628676"	"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	10	6	363647	""
"628677"	"628677"	"(5S,8Ar)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1ccc(N[C@H]2C3COC(=O)[C@@H]3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1OC"	0	""	""	2	1	363649	""
"628678"	"628678"	"antineoplastic-d613939"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(O)c4)c5cc6OCOc6cc25"	0	""	""	11	8	363650	""
"628679"	"628679"	"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5H)-one, 9-[(..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	NA	NA	11	10	NA	""
"628680"	"628680"	"(5S,8Ar)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	363652	""
"628681"	"628681"	"(5S,8Ar)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Oc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	2	2	363653	""
"628682"	"628682"	"[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate"	"O=C(NCC1=[O][Pb+4]2([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([O]=C(CNC(=O)c5ccccc5)[O-]2)[O-]1)c6ccccc6"	0	""	""	1	1	16683150	""
"628683"	"628683"	"[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate"	"CC(C)CC(NC(=O)c1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(C(CC(C)C)NC(=O)c6ccccc6)[O-]3)[O-]2"	0	""	""	1	1	16683151	""
"628684"	"628684"	"[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate"	"O=CNC(Cc1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(C(Cc6ccccc6)NC=O)[O-]3)[O-]2"	0	""	""	1	1	16683152	""
"628686"	"628686"	"[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate"	"Nc1ccc(cc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(c6ccc(N)cc6)[O-]3)[O-]2"	0	""	""	1	1	16683154	""
"628687"	"628687"	"Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-"	"C(Sc1ccccc1)C2=[O][Pb+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C(CSc6ccccc6)[O-]3)[O-]2"	0	""	""	1	1	16683155	""
"628688"	"628688"	"Triphenylplumbyl 2-benzamidoacetate"	"O=C(NCC1=[O][Pb+4]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]1)c5ccccc5"	0	""	""	1	1	16683156	""
"628689"	"628689"	"Triphenylplumbyl 2-benzamido-4-methyl-pentanoate"	"CC(C)CC(NC(=O)c1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	2	2	16683157	""
"628690"	"628690"	"Triphenylplumbyl 2-formamido-3-phenyl-propanoate"	"O=CNC(Cc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	16683158	""
"628691"	"628691"	"Triphenylplumbyl 2-acetamido-3-phenyl-propanoate"	"CC(=O)NC(Cc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	16683159	""
"628692"	"628692"	"Triphenylplumbyl 4-aminobenzoate"	"Nc1ccc(cc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	16683160	""
"628693"	"628693"	"Triphenylplumbyl 2-phenylsulfanylacetate"	"C(Sc1ccccc1)C2=[O][Pb+4]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]2"	0	""	""	1	1	16683161	""
"628694"	"628694"	"1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy- ..."	"CC1=CC(=O)Oc2c1ccc(O)c2C3=NN(C=O)C(C3)c4ccccc4"	0	""	""	5	2	135429970	""
"628755"	"628755"	"2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one"	"COC1(CC2C(C(C1N(Cc3ccccc3)C2=O)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5)OC"	0	""	""	1	1	363683	""
"628756"	"628756"	"2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione"	"O=C1CC2C(C(C1N(Cc3ccccc3)C2=O)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	363684	""
"628803"	"628803"	"S-(-)Pyrido[3,4-b]pyrazin-7-ylcarbamic acid, 5-amino-1,2..."	"C[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c3ccccc3"	0	""	""	2	2	11969855	""
"628811"	"628811"	"1,1-Bis(4-methoxyphenyl)-2-nitroethene"	"COc1ccc(cc1)C(=C[N+](=O)[O-])c2ccc(OC)cc2"	0	""	""	2	1	363696	""
"628865"	"628865"	"AHS-3/51 Azomycin acyclonucleoside"	"OCCOCn1ccnc1[N+](=O)[O-]"	0	""	""	1	1	363705	""
"628866"	"628866"	"Viscosin"	"CCCCCCC[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C)C(C)CC"	0	NA	NA	1	1	NA	""
"628876"	"628876"	"3-Methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione"	"CN1C(=O)NC2=C(C(=O)CN2)C1=O"	0	""	""	1	1	363716	""
"628878"	"628878"	"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate"	"COc1nc(NC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3C(=C(C)C(=O)Oc3n1)OC(=O)C"	0	""	""	1	1	363718	""
"628906"	"628906"	"3-(2-N,N-diethylaminoethylamino)-1,2,4-benzotriazine 1,4..."	"CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	2	1	135510092	""
"628907"	"628907"	"3-Hydroxy-7-nitro-1,2,4-benzotriazine 1-oxide"	"Oc1nc2ccc(cc2[n+]([O-])n1)[N+](=O)[O-]"	0	""	""	2	1	6711495	""
"628908"	"628908"	"3-Chloro-7-nitro-1,2,4-benzotriazine 1-oxide"	"[O-][N+](=O)c1ccc2nc(Cl)n[n+]([O-])c2c1"	0	""	""	2	2	6711496	""
"628909"	"628909"	"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide"	"[O-][N+](=O)c1ccc2nc(NC(=O)C(F)(F)F)n[n+]([O-])c2c1"	0	""	""	1	1	6711497	""
"628910"	"628910"	"3-(2-N,N-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1nc2ccc(cc2[n+]([O-])n1)[N+](=O)[O-]"	0	""	""	1	1	22609881	""
"628911"	"628911"	"3-(2-N,N-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	135510093	""
"628915"	"628915"	"3-(2-N,N-diethylaminoethylamino)-1,2,4-benzotriazine 1,4..."	"CCN(CC)CCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	135503433	""
"628916"	"628916"	"3-(3,N,N-diethylaminopropylamino)-1,2,4-benzotriazine 1,..."	"CCN(CC)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	135503434	""
"628917"	"628917"	"3-(2-N,N-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	135426847	""
"628918"	"628918"	"3-(2-N,N-diethylaminoethylamino)-7-nitro-1,2,4- benzotri..."	"CCN(CC)CCNc1n[n+]([O-])c2cc(ccc2[n+]1[O-])[N+](=O)[O-]"	0	""	""	2	2	135488943	""
"628919"	"628919"	"7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin..."	"CC(=O)OC(COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])CN3CCCCC3"	0	""	""	1	1	135510094	""
"628930"	"628930"	""	"Oc1ccc2ccccc2c1C3=CC(=O)C(=O)c4ccccc34"	0	NA	NA	4	2	NA	""
"628931"	"628931"	"2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide"	"O=S1C(=C2C=CC(=C3Sc4ccccc4S3)C=C2)Sc5ccccc15"	0	""	""	2	1	363740	""
"628935"	"628935"	"5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole"	"COc1cc2noc(c3ccccc3)c2cc1OC"	0	""	""	1	1	363744	""
"628939"	"628939"	"A823218"	"O=C1c2ccccc2C(=O)c3c1ccc4conc34"	0	""	""	5	4	363747	""
"628945"	"628945"	"STK367370"	"Cc1cc2C(=O)c3ccccc3C(=O)c2c(N)c1C"	0	""	""	1	1	363753	""
"628946"	"628946"	"5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline"	"COc1cc2ccnc3c4c(occ4c(c1OC)c23)SC"	0	""	""	1	1	363754	""
"628949"	"628949"	"2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one"	"CC1=CC(=O)N(N1)c2cc3cccccc3n2"	0	""	""	1	1	363757	""
"628995"	"628995"	"Androst-1-en-3-one, 17-acetyloxy-5-methyl-, (5-beta, 17-..."	"CC(=O)O[C@H]1CCC2[C@@H]3CC[C@]4(C)CC(=O)C=C[C@]4(C)C3CC[C@]12C"	0	NA	NA	3	1	NA	""
"628999"	"628999"	"4-methyltropolone"	"CC1=CC(=O)C(=CC=C1)O"	0	""	""	1	1	11424	""
"629006"	"629006"	"(methyldispiro[[?]]yl) benzoate"	"CC12CCC3(OCCO3)C(=C1CCC24OCCO4)OC(=O)c5ccccc5"	0	""	""	1	1	363792	""
"629011"	"629011"	"7-(4-Bromophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile"	"CN1NC(=C(C#N)C(=O)CC1c2ccc(Br)cc2)c3ccccc3"	0	""	""	1	1	363797	""
"629012"	"629012"	"7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile"	"Clc1ccc(cc1)C2CC(=O)C(=C(NN2)c3ccccc3)C#N"	0	""	""	1	1	363798	""
"629016"	"629016"	"2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one"	"CN(C)c1ccc(cc1)C2CC(=O)C(=C(NN2C)c3ccccc3)C#N"	0	""	""	1	1	363802	""
"629035"	"629035"	"2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-"	"O=Cc1ccc(s1)c2oc(cc2)c3ccc(C=O)s3"	0	""	""	3	3	363820	""
"629039"	"629039"	"1,3,4,6-Tetrathiapentalene-2,5-dithione"	"S=C1SC2=C(SC(=S)S2)S1"	0	""	""	1	1	363823	""
"629041"	"629041"	"Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate"	"CCOC(=O)C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	3	1	363825	""
"629105"	"629105"	"7-Benzyl-3,4-dihydro-3,4-dimethyk-2H-1,4-diazepino[6,5-c..."	"CC1N(C)C(=O)C2=CN(Cc3ccccc3)c4ccccc4C2=NC1=O"	0	""	""	1	1	363839	""
"629107"	"629107"	"2,7-Dicyanoxanthone"	"O=C1c2cc(ccc2Oc3ccc(cc13)C#N)C#N"	0	""	""	1	1	363841	""
"629109"	"629109"	"3-(1-Adamantylamino)-1-phenylpropane"	"O=C(CCNC12CC3CC(CC(C3)C1)C2)c4ccccc4"	0	""	""	1	1	363844	""
"629121"	"629121"	"14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone"	"O=C1C2C3C=C4c5ccccc5N(c6ccccc6)C4(C7C3C(=O)N(Cc8ccccc8)C7=O)C2C(=O)N1Cc9ccccc9"	0	""	""	1	1	363856	""
"629122"	"629122"	"acetyl(diphenyl)[?]tetrone"	"CC(=O)N1c2ccccc2C3=CC4C5C(C(=O)N(C5=O)c6ccccc6)C13C7C4C(=O)N(C7=O)c8ccccc8"	0	""	""	1	1	363857	""
"629124"	"629124"	"1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole"	"[O-][N+](=O)\C=C\c1cn(C(=O)c2ccccc2)c3ccccc13"	0	""	""	1	1	5387875	""
"629155"	"629155"	"4-[1-Hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one"	"CC1(CO)C(O)CCC2(C)C(CC(O)C3=CCOC3=O)C(=C)CCC12"	0	""	""	1	1	363866	""
"629156"	"629156"	"6'-Bromodihydropapaverine"	"COc1cc(Br)c(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC"	0	""	""	1	1	43029	""
"629221"	"629221"	"[(3E,8R,10R,13S,17S)-3-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4[C@@H]3CCC2=C1)OC(=O)NCC"	0	""	""	1	1	9569952	""
"629222"	"629222"	"[(3E,8R,10R,13S,17S)-10,13-Dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate"	"C[C@]12CCC3[C@@H](CCC4=C\C(=N\OC(=O)Nc5ccccc5)\CC[C@]34C)C1CC[C@@H]2OC(=O)Nc6ccccc6"	0	""	""	1	1	9569953	""
"629224"	"629224"	"3-[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile"	"C[C@]12CC[C@@H](CC1=CC[C@H]3C4CC\C(=N/OCCC#N)\[C@@]4(C)CCC23)OC5CCCCO5"	0	""	""	1	1	9569955	""
"629225"	"629225"	"[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC5CCCCO5"	0	""	""	1	1	9569956	""
"629227"	"629227"	"[(3S,8R,10R,13S,17E)-17-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate"	"CCNC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)NCC"	0	""	""	1	1	9569958	""
"629228"	"629228"	"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate"	"CC(C)NC(=O)O\N=C\1/CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)NC(C)C"	0	""	""	2	2	9569959	""
"629229"	"629229"	"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate"	"C[C@]12CC[C@@H](CC1=CC[C@H]3C4CC\C(=N/OC(=O)Nc5ccccc5)\[C@@]4(C)CCC23)OC(=O)Nc6ccccc6"	0	""	""	1	1	9569960	""
"629266"	"629266"	"9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2- methoxyac..."	"COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1"	0	NA	NA	4	4	NA	""
"629286"	"629286"	"3-[N-(4-Nitrophenyldithiocarbamoyl)]-propanoic acid"	"OC(=O)CCSC(=S)Nc1ccc(cc1)[N+](=O)[O-]"	0	""	""	2	1	3004113	""
"629290"	"629290"	"3-[N-(3-Fluorophenylthiocarbamoyl)]-propanoic acid"	"OC(=O)CCSC(=O)Nc1cccc(F)c1"	0	""	""	1	1	363902	""
"629292"	"629292"	"3-[N-(4-Ethylcarboxyphenylthiocarbamoyl)]-propanoic acid"	"CCOC(=O)c1ccc(NC(=O)SCCC(=O)O)cc1"	0	""	""	1	1	363904	""
"629293"	"629293"	"3-(N-[Sulfon(4-methylphenyl)thiocarbamoyl])-propanoic acid"	"Cc1ccc(cc1)S(=O)(=O)c2ccc(NC(=O)SCCC(=O)O)cc2"	0	""	""	1	1	363905	""
"629295"	"629295"	"2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid"	"OC(=O)c1ccccc1SC(=O)Nc2ccc(cc2)N=Nc3ccccc3"	0	""	""	1	1	363907	""
"629298"	"629298"	"2-[N-(3-Fluorophenyldithiocarbamoyl)]-propanoic acid"	"CC(SC(=S)Nc1cccc(F)c1)C(=O)O"	0	""	""	1	1	3004115	""
"629300"	"629300"	"Methyl 3-[N-(2-Chlorophenylthiocarbamoyl)]-propanoate"	"COC(=O)CCSC(=O)Nc1ccccc1Cl"	0	""	""	1	1	363911	""
"629301"	"629301"	"Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder ..."	"N#CC1(C#N)C2C=CC(c3cccc4occ2c34)C1(C#N)C#N"	0	""	""	2	2	363912	"123958418"
"629306"	"629306"	"2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid"	"NC(CCc1nc(cs1)c2ccc(Cl)cc2)C(=O)O"	0	""	""	2	1	363917	""
"629412"	"629412"	""	"CCOC(=O)C(Sc1ccccc1)C2=C(OC(=O)C=C2OC)\C=[N+](\[O-])/c3ccc(cc3)N(C)C"	0	NA	NA	1	1	NA	""
"629413"	"629413"	"Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate"	"CCOC(=O)C12CN(CC(C(OC1c3ccccc3)c4ccccc4)(C(=O)OCC)C2=O)C56CC7CC(CC(C7)C5)C6"	0	""	""	1	1	363925	""
"629451"	"629451"	"Gallidermin"	"CCC(C)C(N)C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC1=O)C(=O)NC3C(C)SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N\C(=C/C)\C(=O)NCC(=O)NC5CSCC6NC(=O)C(Cc7ccc(O)cc7)NC(=O)C(CS\C=C\NC6=O)NC(=O)C(CC(=O)N)NC(=O)C(Cc8ccccc8)NC5=O"	0	NA	NA	1	1	NA	""
"629487"	"629487"	"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine"	"Nc1nnc2c(n[nH]c2n1)c3ccccc3"	0	""	""	1	1	6399307	""
"629501"	"629501"	"2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile"	"CN(C)c1ccc(cc1)C(=C(C#N)C#N)C=C2c3ccccc3Sc4ccccc24"	0	""	""	1	1	363964	""
"629595"	"629595"	"(3,7,7-Trimethyl-5,14-dioxo-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraen-15-yl) acetate"	"CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)OC3(C)CC2=C(OC(=O)C)C1=O"	0	""	""	2	1	363975	""
"629619"	"629619"	"N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	363997	""
"629620"	"629620"	"N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	363998	""
"629621"	"629621"	"N4-[10-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine"	"Nc1nc(Cl)cc(NCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1"	0	""	""	1	1	363999	""
"629622"	"629622"	""	"CCN1c2ccccc2c3c4c1cc(C)cc4c5ccccc5[n+]3CC"	0	NA	NA	1	1	NA	""
"629625"	"629625"	""	"Clc1ccc(cc1)C(=O)O\N=C\2/C(/CCCC2)=C/c3ccccc3"	0	NA	NA	1	1	NA	""
"629626"	"629626"	""	"Clc1ccc(cc1Cl)C(=O)O\N=C\2/C(/CCCC2)=C/c3ccccc3"	0	NA	NA	1	1	NA	""
"629676"	"629676"	"N-Benzyl-2(R)-hydroxymethyl-3(R),4(R),5(S)- tribenzyloxy..."	"OCC1C(OCc2ccccc2)C(OCc3ccccc3)C(CN1Cc4ccccc4)OCc5ccccc5"	0	""	""	1	1	364050	""
"629701"	"629701"	"3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one"	"Clc1n[nH]c2c3C(=O)c4ccccc4Nc3ccc12"	0	""	""	2	1	438262	""
"629711"	"629711"	"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole"	"Clc1ccccc1C(n2cc(Br)cn2)n3cc(Br)cn3"	0	""	""	1	1	364072	""
"629713"	"629713"	"DPBQ"	"O=C1c2ccccc2C(=O)c3nc(c4ccccc4)c(nc13)c5ccccc5"	0	""	""	2	2	364074	""
"629724"	"629724"	""	"[R][N+](=O)[O-].O=C1N2CCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	NA	""
"629727"	"629727"	""	"[R][N+](=O)[O-].O=C1N2CCCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	NA	""
"629728"	"629728"	""	"[Cl-].[R]N.O=C1N2CCCN=C2c3cccc4cccc1c34"	0	NA	NA	1	1	NA	""
"629730"	"629730"	"Cyto6F11"	"[O-][N+](=O)c1cc2C(=O)N(CCCN3CCN(CCCN4C(=O)c5cccc6cc(cc(C4=O)c56)[N+](=O)[O-])CC3)C(=O)c7cccc(c1)c27"	0	""	""	1	1	364089	""
"629733"	"629733"	"1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-"	"C(CCCCNCc1cccc2ccccc12)CCCNCc3cccc4ccccc34"	0	""	""	1	1	364092	""
"629734"	"629734"	"N,N'-Bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine"	"C(CCCCCCNCc1cccc2ccccc12)CCCCCNCc3cccc4ccccc34"	0	""	""	1	1	364093	""
"629735"	"629735"	"1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine"	"C(CNCc1cccc2ccccc12)CN3CCN(CCCNCc4cccc5ccccc45)CC3"	0	""	""	1	1	364094	""
"629736"	"629736"	"1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine"	"C(N1CCC(CC1)C2CCN(Cc3cccc4ccccc34)CC2)c5cccc6ccccc56"	0	""	""	2	2	364095	""
"629737"	"629737"	"N,N'-(1,6-Hexanediyl)bis(1-naphthamide)"	"O=C(NCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	1	1	364096	""
"629738"	"629738"	"1-Naphthalenecarboxamide, N,N'-1,8-(octanediyl)bis-"	"O=C(NCCCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	3	3	364097	""
"629739"	"629739"	"N-[12-(Naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide"	"O=C(NCCCCCCCCCCCCNC(=O)c1cccc2ccccc12)c3cccc4ccccc34"	0	""	""	2	2	364098	""
"629740"	"629740"	"N-[3-[4-[3-(Naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide"	"O=C(NCCCN1CCN(CCCNC(=O)c2cccc3ccccc23)CC1)c4cccc5ccccc45"	0	""	""	1	1	364099	""
"629742"	"629742"	"13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol"	"CN1CCc2cc(O)c3Oc4c5OCOc5cc6CCN(C)C(Cc7ccc(O)c(Oc8ccc(CC1c2c3)cc8)c7)c46"	0	""	""	1	1	364101	""
"629745"	"629745"	"7,22-Dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene-16,27-diol"	"CN1CCc2cc3Oc4c(O)cc5CCN(C)C6Cc7ccc(O)c(Oc8ccc(CC1c2cc3Oc4c56)cc8)c7"	0	""	""	2	2	364104	""
"629749"	"629749"	"Lapachone"	"CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O"	0	"TOP2|TOP1"	"Clinical trial"	2	2	NA	""
"629754"	"629754"	"Dehydro iso-.alpha.-lapachone"	"CC(=C)C1CC2=C(O1)C(=O)c3ccccc3C2=O"	0	""	""	1	1	364109	""
"629784"	"629784"	"6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3cc(C)c(C)c(C(=O)O)c3O2"	0	""	""	1	1	364115	""
"629789"	"629789"	"6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid"	"Cc1cc2C(=O)C=C(Oc2c(C(=O)O)c1C)c3cccs3"	0	""	""	1	1	364120	""
"629798"	"629798"	"2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile"	"CC(=O)CCC1(OC(=O)C(=C1c2ccccc2)C#N)c3ccccc3"	0	""	""	1	1	364128	""
"629801"	"629801"	"cholera toxin"	""	0	NA	NA	2	2	NA	""
"629821"	"629821"	"4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	"Cc1cc(Br)ccc1N=Nc2c(C)nn(c3ccccc3)c2c4ccccc4"	0	""	""	1	1	364149	""
"629824"	"629824"	"4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole"	"Cc1ccc(N=Nc2c(C)nn(c3ccccc3)c2c4ccccc4)c(Br)c1"	0	""	""	1	1	364152	""
"629829"	"629829"	"6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione"	"COc1ccc(cc1)\N=C\2/SSC3=C2SSC3=S"	0	""	""	1	1	364157	""
"629830"	"629830"	"(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate"	"CC1=C(SC#N)C(=C(SC#N)S(=O)(=O)N1c2ccccc2)C"	0	""	""	1	1	364158	""
"629831"	"629831"	"Homopterocarpin"	"COc1ccc2[C@H]3Oc4cc(OC)ccc4[C@H]3COc2c1"	0	""	""	1	1	364159	""
"629867"	"629867"	"STL264933"	"Clc1ccc(OCc2nnc3SCC(=Nn23)c4ccccc4)c(Cl)c1"	0	""	""	1	1	364167	""
"629868"	"629868"	"6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Clc1ccc(OCc2nnc3SCC(=Nn23)c4ccc(Br)cc4)cc1"	0	""	""	1	1	364168	""
"629870"	"629870"	""	"CN(\N=C\c1ccnc2ccccc12)c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"629872"	"629872"	"N-Methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline"	"CN(\N=C\c1cccc2cccnc12)c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	9555797	""
"629874"	"629874"	"Benzenamine, 4-ethoxy-N-[(4-quinolinyl)methylene]-"	"CCOc1ccc(cc1)\N=C\c2ccnc3ccccc23"	0	""	""	6	5	364174	""
"629910"	"629910"	""	"CC(CN(C)C)\C(=N/Nc1ccccc1)\c2ccccc2"	0	NA	NA	1	1	NA	""
"629912"	"629912"	""	"CN(C)CC\C(=N/Nc1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"629918"	"629918"	""	"COc1ccc(N\N=C(/CCN(C)C)\c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"629920"	"629920"	""	"CN(C)CC\C(=N/Nc1c(F)c(F)c(F)c(F)c1F)\c2ccccc2"	0	NA	NA	1	1	NA	""
"629924"	"629924"	""	"CN(C)CC(C)(C)\C(=N/Nc1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"629928"	"629928"	"Triphenylplumbanol"	"O[Pb](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	6328765	""
"629971"	"629971"	"Camptothecin Derivative"	"CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	"TOP1"	""	5	5	131182	""
"629972"	"629972"	"6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"[O-][N+](=O)c1oc(cc1)C2=Nn3cnnc3SC2"	0	""	""	1	1	364210	""
"629973"	"629973"	"6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"[O-][N+](=O)c1oc(cc1)C2=Nn3c(SC2)nnc3c4ccccc4"	0	""	""	1	1	364211	""
"629974"	"629974"	"7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-chlorop..."	"[O-][N+](=O)c1oc(cc1)C2=Nn3c(SC2)nnc3c4ccc(Cl)cc4"	0	""	""	5	2	364212	"117257666"
"630004"	"630004"	"1,4-Hydroquinone-2-methoxy-5-dimethylaminomethyl-6-(10-h..."	"CCCCCC\C=C/CCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C"	0	NA	NA	1	1	NA	""
"630032"	"630032"	"NCIMech_000490"	"COC(=O)N\C(=N/C(=O)OC)\Nc1ccc(Oc2ccccc2)cc1NC=O"	0	""	""	1	1	135426845	""
"630075"	"630075"	"6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide"	"Clc1cccc(NC(=O)C2=Cc3cc(ccc3OC2=O)N=Nc4ccc(Br)cc4)c1"	0	""	""	1	1	364224	""
"630110"	"630110"	"1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophen..."	"COc1ccccc1NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3Cl)c2C"	0	""	""	4	1	364236	""
"630124"	"630124"	"1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-..."	"CC(C)(C)n1cncn1.CC(C)(C)n2c[n+](cn2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3cnn(c3)C(C)(C)C"	0	""	""	2	1	498452	""
"630128"	"630128"	"Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)"	"CC(C)(C)c1cc[n+]([nH]1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc([nH]2)C(C)(C)C)[n+]3ccc([nH]3)C(C)(C)C"	0	""	""	4	3	498460	""
"630176"	"630176"	"Depsipeptide"	"C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C"	0	"HDAC"	"FDA approved"	17	11	NA	"128517077"
"630197"	"630197"	"N-(2-SCoA-tetradecanoyl)glycinamide"	"CCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(=O)NCC(=O)N"	0	NA	NA	1	1	NA	""
"630250"	"630250"	"12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C\c2c(O1)ccc3ccccc23"	0	""	""	1	1	16683553	""
"630251"	"630251"	"2,2-Dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C(\N=C\c2ccccc2O1)C(C)C"	0	""	""	1	1	16683554	""
"630252"	"630252"	"2,2-Dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C\c2ccccc2O1"	0	""	""	1	1	16683555	""
"630253"	"630253"	"2,2-Dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)C\N=C(\C)/c2ccccc2O1"	0	""	""	1	1	16683556	""
"630257"	"630257"	""	"[O-][N+](=O)C1C2CC(C=C2)[C@H]1c3ccc(Cl)cc3Cl"	0	NA	NA	1	1	NA	""
"630259"	"630259"	""	"[O-][N+](=O)C1C2CC(C=C2)[C@H]1c3occc3"	0	NA	NA	1	1	NA	""
"630299"	"630299"	""	"CC(C)C\C(=N/NC(=O)c1cc2ccccc2cc1O)\CC(=O)CCC(=O)Nc3ccccc3[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"630300"	"630300"	"N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide"	"Cc1cccc(C)c1NC(=O)CCC(=O)NNC(=O)c2cc(O)c3ccccc3c2"	0	""	""	1	1	364282	""
"630307"	"630307"	"Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate"	"COC(=O)c1cccc2cccc(C(=O)Nc3ccc(Cl)cc3)c12"	0	""	""	2	2	364289	""
"630310"	"630310"	"6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide"	"Oc1cc2ccccc2cc1C(=O)N\N=C(/CCCC(=O)Nc3cccc(c3)[N+](=O)[O-])\C(C#N)c4ccccc4"	0	""	""	1	1	9569985	""
"630311"	"630311"	"Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate"	"COC(=O)c1cccc2cccc(C(=O)Nc3ccc(C)cc3C)c12"	0	""	""	1	1	364293	""
"630324"	"630324"	""	"NC1=NN(C(=O)C1\C(=N/NC(=O)c2cc3ccccc3cc2O)\C(=O)Nc4ccc(Cl)c(Cl)c4)c5ccccc5"	0	NA	NA	1	1	NA	""
"630328"	"630328"	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	364310	""
"630337"	"630337"	"N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	364321	""
"630341"	"630341"	"[2-[(2E)-2-[1-(2,5-Dichloroanilino)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"COc1ccc2c(c1)[n+]([O-])c(C(=O)C\C(=N/NC(=O)C[N+](C)(C)C)\C(=O)Nc3cc(Cl)ccc3Cl)c(C)[n+]2[O-]"	0	""	""	1	1	9569990	""
"630342"	"630342"	"2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide"	"CC(C)c1ccccc1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3cc(C)c(C)cc3[n+]2[O-]"	0	""	""	1	1	364327	""
"630352"	"630352"	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	"Cc1c(C(=O)CC(=O)C(=O)Nc2cccc(c2)C(F)(F)F)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	364337	""
"630353"	"630353"	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	364338	""
"630357"	"630357"	"N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide"	"CC(\C(=N\NC(=O)c1c(O)ccc2ccccc12)\CCC(=O)Nc3cc(C)ccc3C)C(=O)c4ccc(O)cc4"	0	""	""	1	1	9555801	""
"630365"	"630365"	"5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide"	"NNC(=O)C(=O)N\N=C(/CCC(=O)Nc1ccc(Cl)cc1)\Cc2nc3ccccc3s2"	0	""	""	1	1	9555802	""
"630373"	"630373"	"3-Hydroxy-N-[(E)-[1-(4-hydroxy-3-methoxyphenyl)-7-(2-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]naphthalene-2-carboxamide"	"COc1cc(ccc1O)C(=O)C\C(=N\NC(=O)c2cc3ccccc3cc2O)\CCCC(=O)Nc4ccccc4[N+](=O)[O-]"	0	""	""	2	1	9569991	""
"630375"	"630375"	"2H-1-Benzopyran-2-one, 4-(2-benzofuranyl)-7-methoxy-"	"COc1ccc2C(=CC(=O)Oc2c1)c3oc4ccccc4c3"	0	""	""	4	2	364364	""
"630425"	"630425"	"4,8-Dibromo-11-hydroxy-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-3-one"	"CC1(Br)CC2OC3(Br)C=CC(C)(O)C2(CC1=O)C3(C)C"	0	""	""	3	1	364366	""
"630450"	"630450"	""	"C[C@H]1[C@@H](CC[C@@]1(C)O)C(=C)CCCO"	0	NA	NA	1	1	NA	""
"630452"	"630452"	""	"COc1cc2CCN3CO[C@@H](C3c2cc1OC)c4ccccc4"	0	NA	NA	5	1	NA	""
"630454"	"630454"	"Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3ccccn3)N)[SH-]C(=N[N+]2=C(C)c4ccccn4)N"	0	""	""	1	1	135429984	""
"630455"	"630455"	"Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3cccs3)N)[SH-]C(=N[N+]2=C(C)c4cccs4)N"	0	""	""	1	1	135429985	""
"630456"	"630456"	"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine"	"CC(=[N+]1N=C(SCc2ccccc2)[SH-][Sn+4]13([CH2-])([CH2-])[SH-]C(=N[N+]3=C(C)c4ccccn4)SCc5ccccc5)c6ccccn6"	0	""	""	1	1	9571253	""
"630457"	"630457"	"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=C(C)c3ccccn3)SCc4ccccc4)[SH-]C(=N[N+]2=C(C)c5ccccn5)SCc6ccccc6"	0	""	""	1	1	9571254	""
"630459"	"630459"	"(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine"	"CCC[CH-][Sn+4]12([CH-]CCC)([SH-]C(=N[N+]1=Cc3occc3)SCc4ccccc4)[SH-]C(=N[N+]2=Cc5occc5)SCc6ccccc6"	0	""	""	1	1	9571256	""
"630507"	"630507"	""	"CC(C)CCC[C@@H](C)C1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)C(=O)NCCN(C)C"	0	NA	NA	1	1	NA	""
"630511"	"630511"	"1,4-Benzoquinone-2-methoxy-5-dimethylaminomethyl- 6-(10-..."	"CCCCCC\C=C/CCCCCCCCCC1=C(CN(C)C)C(=O)C=C(OC)C1=O"	0	NA	NA	2	2	NA	""
"630599"	"630599"	""	"CC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	2	2	NA	""
"630600"	"630600"	""	"ClC(Cl)(Cl)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	NA	""
"630601"	"630601"	""	"FC(F)(F)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	NA	""
"630602"	"630602"	"1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methy..."	"CCOC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	4	3	5388001	""
"630603"	"630603"	""	"ClC(Cl)(Cl)COC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	1	1	NA	""
"630604"	"630604"	""	"O=C(Oc1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	1	1	NA	""
"630605"	"630605"	"1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl- methy..."	"COc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	3	NA	""
"630606"	"630606"	"1-Piperidinecarboxylic acid, 3,5-bis(phenylmethylene)- 4..."	"Cc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	3	NA	""
"630607"	"630607"	""	"Clc1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	2	2	NA	""
"630608"	"630608"	""	"[O-][N+](=O)c1ccc(OC(=O)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2)cc1"	0	NA	NA	3	3	NA	""
"630609"	"630609"	"1-Piperidinecarboxylic acid, 3,5-bis(phenylmethylene)- 4..."	"O=C(OCc1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	4	4	NA	""
"630615"	"630615"	"Pentammineazidocobalt(III)iodide"	"[I-].[NH3+][Co+3]([NH3+])([NH3+])([NH3+])([NH3+])[NH-]=[N+]=[N-]"	0	NA	NA	1	1	NA	""
"630670"	"630670"	""	"CC[S+](C)c1ccc(cc1)c2c3C=Cc([nH]3)c(c4ccc(cc4)[S+](C)CC)c5ccc(n5)c(c6ccc(cc6)[S+](C)CC)c7ccc([nH]7)c(c8ccc(cc8)[S+](C)CC)c9ccc2n9"	0	NA	NA	1	1	NA	""
"630678"	"630678"	"streptomyces antibiotic"	"CCC(C)SC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	6	4	149070	""
"630679"	"630679"	"antineoplastic-d630679"	"CSC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	2	1	149075	""
"630680"	"630680"	"antineoplastic-630680"	"CC(C)SC1SCC2N(C)C(=O)C(C)NC(=O)C(COC(=O)C3(CC3C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(COC(=O)C4(CC4C)N(C)C2=O)NC(=O)c5nc6ccccc6cc5O)NC(=O)c7nc8ccccc8cc7O"	0	""	""	2	1	149080	""
"630684"	"630684"	"8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methy..."	"CN(\N=C\c1cccc2cccnc12)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	6	3	9555808	""
"630686"	"630686"	"N-(9-Acridinylmethylene)-4-ethoxyaniline"	"CCOc1ccc(cc1)\N=C\c2c3ccccc3nc4ccccc24"	0	""	""	1	1	364426	""
"630688"	"630688"	"[2,2'-Bithiophene]-5-carboxaldehyde"	"O=Cc1ccc(s1)c2cccs2"	0	""	""	6	6	364428	""
"630695"	"630695"	"Amchloramide"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4nc12"	0	""	""	1	1	364434	""
"630696"	"630696"	"Amchlorguanidine"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc4nc12"	0	""	""	1	1	364435	""
"630697"	"630697"	"Amchlordimidine"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)c5ccccc5nc12"	0	""	""	1	1	364436	""
"630698"	"630698"	"Amchloroxazole"	"CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)c5ccccc5nc12"	0	""	""	1	1	364437	""
"630699"	"630699"	"Amilamide"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4nc12"	0	""	""	1	1	364438	""
"630700"	"630700"	"Amiguanidine"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc4nc12"	0	""	""	1	1	364439	""
"630701"	"630701"	"Amidimidine"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4nc(C)cc(C)n4)c5ccccc5nc12"	0	""	""	1	1	364440	""
"630702"	"630702"	"Amioxazole"	"CN(C)CCNC(=O)c1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)c5ccccc5nc12"	0	""	""	1	1	364441	""
"630703"	"630703"	"Acridomide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	1	1	364442	""
"630704"	"630704"	"Acridoguanidine"	"NC(=N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	4	1	364443	""
"630705"	"630705"	"Acridodimidine"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4C(=O)c5ccccc5Nc34)cc2)n1"	0	""	""	1	1	364444	""
"630712"	"630712"	"Toluacrone"	"Cc1ccc(NC(=O)COC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	1	1	364451	""
"630717"	"630717"	"Nilacrone"	"NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3C(=O)c4ccccc4Nc23)cc1"	0	""	""	3	2	364456	""
"630724"	"630724"	"N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide"	"Clc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	1	1	364463	""
"630732"	"630732"	"1,4-Benzoquinone-2-methoxy-5-(4-methyl-1-piperazinyl) me..."	"[Cl-].CCCCCC\C=C/CCCCCCCCCC1=C(CN2CCN(C)CC2)C(=O)C=C(OC)C1=O"	0	NA	NA	2	2	NA	""
"630734"	"630734"	"Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate"	"COC(=O)C1=[C-](C(=O)OC)[Ir+3]([N+]#CC)([N+]#CC)([C-](=C1C(=O)OC)C(=O)OC)(P(c2ccccc2)(c3ccccc3)c4ccccc4)P(c5ccccc5)(c6ccccc6)c7ccccc7.[F-][B+3]([F-])([F-])[F-]"	0	""	""	1	1	498529	""
"630735"	"630735"	"chloro(diphenyl)[?]dione; triphenylphosphane"	"[Cl-][Ir+3]1(P(c2ccccc2)(c3ccccc3)c4ccccc4)(P(c5ccccc5)(c6ccccc6)c7ccccc7)[C-](=C8C(=O)c9ccccc9C(=O)C8=[C-]1c%10ccccc%10)c%11ccccc%11"	0	""	""	1	1	11979910	""
"630765"	"630765"	""	"[Cl-][Pt+2]1([Cl-])NCC[Si](C)(C)CN1"	0	NA	NA	3	2	NA	""
"630809"	"630809"	"[4,5-Diacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-3-yl] acetate"	"CCCC(=O)C1=C(NOC2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N=C(OC)N(C)C1=O"	0	""	""	1	1	364477	""
"630810"	"630810"	"[3,4,5-Triacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate"	"CCCC(=O)C1=C(NOC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N=C(OC)N(C)C1=O"	0	""	""	1	1	364478	""
"630823"	"630823"	"tetra(4-methoxyphenol)tin"	"COc1ccc(cc1)[Sn](c2ccc(OC)cc2)(c3ccc(OC)cc3)c4ccc(OC)cc4"	0	""	""	1	1	364483	""
"630825"	"630825"	"tetra(4-dimethylaminophenyl)tin"	"CN(C)c1ccc(cc1)[Sn](c2ccc(cc2)N(C)C)(c3ccc(cc3)N(C)C)c4ccc(cc4)N(C)C"	0	""	""	1	1	364486	""
"630832"	"630832"	"1,2-O-Isopropylidene-.alpha.-D-glucofuranose-3-O-butyrate"	"CCCC(=O)OC1C(OC2OC(C)(C)OC12)C(O)CO"	0	""	""	2	1	364487	""
"630837"	"630837"	"Pseudolarolide B"	"CC1C[C@]2(OC3CC4(C)C5CCC6C(C)(C)C(=O)CC[C@@]67C[C@@]57CC[C@]4(C)C13)OC(=O)C(=C2)C"	0	""	""	1	1	6711550	""
"630876"	"630876"	"12B-019"	"O=C(Nc1ccccc1)n2cc(c3ccccn3)c(n2)N4CCOCC4"	0	""	""	1	1	364494	""
"630882"	"630882"	"N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide"	"CC(=O)Nc1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1"	0	""	""	2	1	5388013	""
"630885"	"630885"	"N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide"	"[O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccccc2)\c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	5388016	""
"630886"	"630886"	"CBMicro_014371"	"CC1=N\C(=C/c2c(O)ccc3ccccc23)\C(=O)O1"	0	""	""	1	1	135451145	""
"630887"	"630887"	"(4Z)-4-[(2,5-Dichlorophenyl)methylene]-2-phenyl-oxazol-5-one"	"Clc1ccc(Cl)c(\C=C\2/N=C(OC2=O)c3ccccc3)c1"	0	""	""	1	1	5388017	""
"630901"	"630901"	"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide"	"Cc1cc(Cl)ccc1NC(=O)C2C(=O)N(C(=O)/C/2=N\NC(=S)N)c3ccc(Cl)cc3C"	0	""	""	1	1	9569995	""
"630912"	"630912"	"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3cccc4ccccc34)C(=O)Nc5ccccc5OC)C"	0	""	""	1	1	364526	""
"630922"	"630922"	"1-Methylethyl-2-chloro-5-[N-(phenylmethyl)- (2-methoxybe..."	"COc1ccccc1C(=O)N(Cc2ccccc2)c3ccc(Cl)c(c3)C(=O)OC(C)C"	0	""	""	2	2	364531	""
"630956"	"630956"	"1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-, 2-[[(1-m..."	"CC(C)S(=O)(=O)ON1C(=O)c2ccc(cc2C1=O)N(C)C"	0	""	""	3	3	364534	""
"630959"	"630959"	""	"Cc1cccc(\C=N\NC(=N)NO)n1"	0	NA	NA	1	1	NA	""
"630962"	"630962"	""	"CS(=O)(=O)Oc1cccc(\C=N\NC(=N)NO)c1"	0	NA	NA	1	1	NA	""
"630964"	"630964"	""	"COc1ccc(OC)c(\C=N\NC(=N)NO)c1"	0	NA	NA	1	1	NA	""
"630973"	"630973"	"Methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)c2ccccc2)C3(O)CCCC(=O)C13C"	0	""	""	1	1	364553	""
"630975"	"630975"	"Methyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)N)C(C)(O)C12CCOC2=O"	0	""	""	1	1	364555	""
"630976"	"630976"	"Methyl 7-(benzoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate"	"COC(=O)C1=C(C)N(NC(=O)c2ccccc2)C(C)(O)C13CCOC3=O"	0	""	""	1	1	364556	""
"630978"	"630978"	"3a-O-Ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate"	"CCOC(=O)C12CCCC1(O)N(NC(=O)c3ccccc3)C(=C2C(=O)OC)C"	0	""	""	1	1	364558	""
"630982"	"630982"	"Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate"	"CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C3(N)N(NC(=O)Nc4ccccc4)C(=C(C(=O)OCC)C13C(=O)OCC)C"	0	""	""	1	1	364562	""
"630985"	"630985"	"Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate"	"COC(=O)NN1C(=C(C(=O)OC)C2(C#N)C(=C(C)N(NC(=O)OC)C12N)C(=O)OC)C"	0	""	""	1	1	364565	""
"630988"	"630988"	"[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel"	"CSC1=N[N+]2=CC(=[N+]3N=C(NCCc4cnc[nH]4)[SH-][Ni+2]23[SH-]1)c5ccccc5"	0	""	""	1	1	135484793	""
"630994"	"630994"	"[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel"	"CSC1=N[N+]2=CC(=[N+]3N=C(NCCC(=O)O)[SH-][Ni+2]23[SH-]1)c4ccccc4"	0	""	""	1	1	135484799	""
"630995"	"630995"	"Coenzyme A, S-(3-methylene-1-oxododecyl)-, tetrasodium salt"	"CCCCCCCCCC(=C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23"	0	NA	NA	3	1	NA	""
"631059"	"631059"	"16-Oximino-17-oxo-5-.beta.-androstano[3,4-c]-1',2',5'- o..."	"C[C@]12CCc3nonc3[C@H]1CC[C@@H]4C2CC[C@@]5(C)C4C\C(=N\O)\C5=O"	0	NA	NA	1	1	NA	""
"631061"	"631061"	"4-Androsteno[3,2-c]-isoxazole-4,17-.beta.-diol"	"C[C@]12CCC3[C@@H](CCC4=C(O)c5nocc5C[C@]34C)C1CC[C@@H]2O"	0	NA	NA	1	1	NA	""
"631063"	"631063"	"17-Aza-D-homo-5.beta.-androstano[3,4-c]-1',2',5'- oxadia..."	"C[C@]12CCC3[C@@H](CC[C@@H]4c5nonc5CC[C@]34C)C1CCC(=O)N2"	0	NA	NA	2	1	NA	""
"631067"	"631067"	"4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one"	"CN1CCCC2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"631070"	"631070"	"17-.beta.-Hydroxy-5-.alpha.-androstano[2,3-d]pyrazol-4-one"	"C[C@]12CCC3[C@@H](CCC4C(=O)c5[nH]ncc5C[C@]34C)C1CC[C@@H]2O"	0	NA	NA	1	1	NA	""
"631073"	"631073"	"4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate"	"CCOc1cc(\C=C\C=C\c2ccc(cc2)N(C)C)[s+]c3ccccc13"	0	""	""	1	1	5493872	""
"631074"	"631074"	"[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate"	"CCOc1cc(\C=C\C=C\C=C\c2ccc(cc2)N(C)C)[s+]c3ccccc13"	0	""	""	1	1	5493874	""
"631075"	"631075"	""	"CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)c4ccccc4[s+]2)cc1"	0	NA	NA	1	1	NA	""
"631076"	"631076"	"1-adamantanamine, n-[(2-bromophenyl)methylene]-"	"Brc1ccccc1\C=N\C23CC4CC(CC(C4)C2)C3"	0	""	""	5	4	364586	""
"631086"	"631086"	"N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine"	"FC(F)(F)c1ccccc1\C=N/C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	364596	""
"631129"	"631129"	"STK070014"	"Cn1cnc(c1Sc2nc3ccccc3[nH]2)[N+](=O)[O-]"	0	""	""	1	1	364601	""
"631130"	"631130"	"Z127088300"	"Cc1ccc2[nH]c(Sc3c(ncn3C)[N+](=O)[O-])nc2c1"	0	""	""	1	1	364602	""
"631132"	"631132"	"1H-Benzimidazole, 5-chloro-6-fluoro-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"Cn1cnc(c1Sc2nc3cc(F)c(Cl)cc3[nH]2)[N+](=O)[O-]"	0	""	""	1	1	364604	""
"631133"	"631133"	"1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"COc1cc2nc(Sc3c(ncn3C)[N+](=O)[O-])[nH]c2cc1OC"	0	""	""	1	1	364605	""
"631136"	"631136"	"Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-"	"Cn1cnc(c1Sc2oc3ccccc3n2)[N+](=O)[O-]"	0	""	""	2	2	364608	""
"631137"	"631137"	"AJ-333/36116012"	"Cn1cnc(c1Sc2nc3ccccc3s2)[N+](=O)[O-]"	0	""	""	1	1	364609	""
"631139"	"631139"	"1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitro-"	"Cc1cc(C)cc(Sc2c(ncn2C)[N+](=O)[O-])c1"	0	""	""	1	1	364611	""
"631152"	"631152"	"NCIMech_000492"	"Cn1cnc(c1Sc2nnnn2c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	364620	""
"631157"	"631157"	"4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole"	"Cn1cnnc1Sc2c(nc(c3ccc(cc3)[N+](=O)[O-])n2C)[N+](=O)[O-]"	0	""	""	1	1	364623	""
"631159"	"631159"	"3-(4-Chlorophenyl)-4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole"	"Cn1cnc(c1Sc2nnc(c3ccc(Cl)cc3)n2C)[N+](=O)[O-]"	0	""	""	1	1	364625	""
"631160"	"631160"	"Pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5..."	"Cn1cnc(c1Sc2nnc(c3cccnc3)n2C)[N+](=O)[O-]"	0	""	""	4	3	364626	""
"631197"	"631197"	"9-N-(N'-chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy..."	"CCN(CCCl)CCCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	2	2	NA	""
"631199"	"631199"	"9-N(N'-chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy ..."	"CCN(CCCl)CCCCCNc1c2ccccc2nc3ccc(OC)cc13"	0	NA	NA	1	1	NA	""
"631229"	"631229"	""	"COC(=O)c1ccc(N\C=C(\C#N)/c2ccsc2)cc1"	0	NA	NA	1	1	NA	""
"631299"	"631299"	"4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine"	"NC1=NC2=C(CCCC2)C(S1)c3cccs3"	0	""	""	1	1	364669	""
"631304"	"631304"	"cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl..."	"[Cl-][Pt+2]([Cl-])(N)NCCc1ccc(OC)c(OC)c1"	0	""	""	1	1	498557	""
"631305"	"631305"	"cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)"	"[Cl-][Pt+2]([Cl-])(NCCc1ccc(OC)cc1)NCCc2ccc(OC)cc2"	0	""	""	3	3	498558	""
"631306"	"631306"	"cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)"	"[Cl-][Pt+2]([Cl-])(N)NCCc1ccc(OC)cc1"	0	""	""	3	3	498559	""
"631340"	"631340"	"(2-Diphenylphosphinothioyl-1-methylene-allyl)-diphenyl-thioxo-$l^{5}-phosphane"	"C=C(C(=C)P(=S)(c1ccccc1)c2ccccc2)P(=S)(c3ccccc3)c4ccccc4"	0	""	""	1	1	364688	""
"631349"	"631349"	"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole"	"Clc1ccc(cc1)C(n2cc(Br)cn2)n3cc(Br)cn3"	0	""	""	1	1	364697	""
"631356"	"631356"	"5-[2-(4-Methoxyphenyl)Ethyl]-1,2,3-Dimethoxy Benzene"	"COc1ccc(CCc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	364702	""
"631357"	"631357"	"5-[2-(4-Ethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene"	"CCOc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	5388060	""
"631359"	"631359"	"4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline"	"COc1cc(CCc2ccc(N)cc2)cc(OC)c1OC"	0	""	""	2	1	364705	""
"631360"	"631360"	"4-[2-(3,4,5-Trimethoxyphenyl)Ethenyl(2)]Phenol"	"COc1cc(\C=C/c2ccc(O)cc2)cc(OC)c1OC"	0	""	""	2	2	5388061	""
"631365"	"631365"	"5-[2-(4-Methoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene"	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	1	5388065	""
"631366"	"631366"	"5-[2-(4-methoxyphenyl)ethyl]-1,2,3-trimethoxybenzene"	"COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	5	2	364708	""
"631367"	"631367"	"N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride"	"COc1ccc(CNc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	1	364709	""
"631369"	"631369"	"3,4,5-Trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline"	"COc1ccc(cc1)C(C)Nc2cc(OC)c(OC)c(OC)c2"	0	""	""	2	2	364711	""
"631371"	"631371"	"N-(3,5-Dimethoxybenzyl)-4-methoxyaniline"	"COc1ccc(NCc2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	364713	""
"631372"	"631372"	"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide"	"COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	364714	""
"631374"	"631374"	"N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline"	"COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	364716	""
"631376"	"631376"	"3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene"	"CCC1C2CCC(C=C2)N1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	364718	""
"631377"	"631377"	""	"CC[C@H]1[C@@H](C)C=C[C@@H](C)N1S(=O)(=O)c2ccc(C)cc2"	0	NA	NA	1	1	NA	""
"631379"	"631379"	"STK789452"	"COC(=O)CC1=CC(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	364721	""
"631381"	"631381"	"AO-476/40672106"	"CN1C2=C(C#N)C3=C(CCCC3)C(=O)N2c4ccccc14"	0	""	""	1	1	364723	""
"631382"	"631382"	"ALBB-024940"	"Clc1c2CCCCc2c(C#N)c3nc4ccccc4n13"	0	""	""	1	1	364724	""
"631384"	"631384"	"11-[(Triphenyl-lambda5-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	"N#Cc1c2CCCCc2c(N=P(c3ccccc3)(c4ccccc4)c5ccccc5)n6c7ccccc7nc16"	0	""	""	1	1	364726	""
"631391"	"631391"	"7h-pyrido[4,3-c]carbazole-6-methanol,methylcarbamate (es..."	"CNC(=O)OCc1cc2ccncc2c3c4ccccc4[nH]c13"	0	""	""	2	2	364733	"121268891"
"631392"	"631392"	"(9-Methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl methylcarbamate"	"CNC(=O)OCc1c2ccncc2c(C)c3c4cc(OC)ccc4[nH]c13"	0	""	""	1	1	364734	""
"631393"	"631393"	"Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester"	"CNC(=O)OCc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12"	0	""	""	2	2	364735	""
"631441"	"631441"	""	"[Cl-].Cc1nnn[nH-]1[Co+3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+]"	0	NA	NA	1	1	NA	""
"631448"	"631448"	"ANTINEOPLASTIC-631448"	"COC(=O)[C@@]1(O)CC(C)C=C1C=C"	0	NA	NA	2	1	NA	""
"631450"	"631450"	""	"COc1cc(cc2C=NN(C(=S)N)[Fe+2]3(N(N=Cc4cc(cc(OC)c4[O-]3)\N=N/c5ccccc5)C(=S)N)[O-]c12)\N=N/c6ccccc6"	0	NA	NA	1	1	NA	""
"631451"	"631451"	""	"COc1cc(cc2C=[N+](NC(=S)N)[Fe+3]3([ClH-])([O-]c4c(OC)cc(cc4C=[N+]3NC(=S)N)N=Nc5ccccc5)[O-]c12)N=Nc6ccccc6"	0	NA	NA	1	1	NA	""
"631459"	"631459"	"Bis(4-sulfosalicylideneaniline)cobalt(II)"	"OS(=O)(=O)c1ccc2C=[N+](c3ccccc3)[Co+2]4([N+](=Cc5ccc(cc5[O-]4)S(=O)(=O)O)c6ccccc6)[O-]c2c1"	0	NA	NA	1	1	NA	""
"631467"	"631467"	"Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)"	"CC(C)(CO)[N+]1=Cc2ccccc2[O-][Co+2]13[O-]c4ccccc4C=[N+]3C(C)(C)CO"	0	NA	NA	5	4	NA	""
"631468"	"631468"	"Trichlorotris(4-dimethylaminopyridine)ruthenium(III)"	"CN(C)c1cc[n+](cc1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc(cc2)N(C)C)[n+]3ccc(cc3)N(C)C"	0	NA	NA	1	1	NA	""
"631469"	"631469"	"Trichlorotris(4-tert-butylpyridine)ruthenium(III)"	"CC(C)(C)c1cc[n+](cc1)[Ru+3]([ClH-])([ClH-])([ClH-])([n+]2ccc(cc2)C(C)(C)C)[n+]3ccc(cc3)C(C)(C)C"	0	NA	NA	1	1	NA	""
"631470"	"631470"	"Trichlorotris(4-vinylpyridine)ruthenium(III)"	"[ClH-][Ru+3]([ClH-])([ClH-])([n+]1ccc(C=C)cc1)([n+]2ccc(C=C)cc2)[n+]3ccc(C=C)cc3"	0	NA	NA	1	1	NA	""
"631475"	"631475"	"Trichlorotrispyridazineruthenium(III)"	"[ClH-][Ru+3]([ClH-])([ClH-])([n+]1ccccn1)([n+]2ccccn2)[n+]3ccccn3"	0	NA	NA	1	1	NA	""
"631477"	"631477"	"p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]"	"Nc1ccc(Cl)cc1.Clc2ccc([NH2+][Ru+3]34([NH2+]c5ccc(Cl)cc5)([O-]C(=O)C(=O)[O-]3)[O-]C(=O)C(=O)[O-]4)cc2"	0	""	""	2	2	54608061	""
"631479"	"631479"	""	"[Cl-][Ru+2]1234(P(c5ccccc5)(c6ccccc6)c7ccccc7)(P(c8ccccc8)(c9ccccc9)c%10ccccc%10)[CH]%11=[CH]1[CH-]2[CH]3=[CH]4%11"	0	NA	NA	1	1	NA	""
"631481"	"631481"	"trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]- perchlora..."	"[O-]Cl(=O)(=O)=O.O=[Ru+2]12(=O)([n+]3ccccc3c4cccc[n+]14)[n+]5ccccc5c6cccc[n+]26"	0	""	""	1	1	24202183	""
"631483"	"631483"	"Pyridinium-[carbonyltetrachloropyridineruthenate(III)]"	"[ClH-][Ru+3]([ClH-])([ClH-])([ClH-])(C#O)[n+]1ccccc1.c2ccncc2"	0	NA	NA	1	1	NA	""
"631520"	"631520"	"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide"	"Cc1cccc(C)c1N2C(=O)C(=O)C(\C(=N\NC(=O)c3ccccc3O)\C2=O)c4nc5ccccc5s4"	0	""	""	2	2	9555810	""
"631521"	"631521"	"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl..."	"Clc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1Cl"	0	""	""	3	2	364762	""
"631522"	"631522"	"J3.547.609A"	"C=CCNc1nc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	2	2	364763	""
"631525"	"631525"	"Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-"	"O=C1c2ccccc2C(=O)c3sc(CC#N)nc13"	0	""	""	1	1	364766	""
"631526"	"631526"	"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-nitrophenyl) ami..."	"[O-][N+](=O)c1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	3	3	364767	""
"631528"	"631528"	"2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione"	"Clc1cccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c1"	0	""	""	3	2	364769	""
"631529"	"631529"	"NCIMech_000701"	"Clc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	3	2	364770	""
"631531"	"631531"	"4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine"	"Fc1ccccc1C2CC(=Nc3ccccc3S2)C(c4ccccc4)c5ccccc5"	0	""	""	1	1	364772	""
"631534"	"631534"	"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"[O-][N+](=O)c1ccc(cc1)C2CC(=Nc3ccccc3S2=O)c4ccccc4Cl"	0	""	""	3	2	364775	""
"631541"	"631541"	"2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide"	"FC(F)(F)c1cccc(NC(=O)Cc2nc3ccccc3s2)c1"	0	""	""	1	1	364782	""
"631542"	"631542"	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine"	"C1C(Sc2ccccc2N=C1c3cccc4ccccc34)c5cccc6ccccc56"	0	""	""	2	2	364783	""
"631550"	"631550"	"STK535604"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc4OCOc4c3)C(=O)Nc5ccccc5"	0	""	""	1	1	364791	""
"631565"	"631565"	"4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3cc(Cl)cc(Cl)c3)C(=O)Nc4ccccc4"	0	""	""	2	2	364807	""
"631570"	"631570"	"Ukrain"	"O.C[N+]1(CCNP(=S)(NCC[N+]2(C)Cc3c4OCOc4ccc3C5[C@@H](O)Cc6cc7OCOc7cc6C25)NCC[N+]8(C)Cc9c%10OCOc%10ccc9C%11[C@@H](O)Cc%12cc%13OCOc%13cc%12C8%11)Cc%14c%15OCOc%15ccc%14C%16[C@H](O)Cc%17cc%18OCOc%18cc%17C1%16"	0	NA	NA	2	1	NA	""
"631571"	"631571"	"Ethyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate"	"CCOC(=O)NC(=O)C1=CN(C2CCCCC2)C(=O)NC1=O"	0	""	""	1	1	364812	""
"631578"	"631578"	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	364818	""
"631579"	"631579"	"3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	364819	""
"631580"	"631580"	"N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(Nc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	364820	""
"631581"	"631581"	"N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	364821	""
"631582"	"631582"	""	"COc1cc(Nc2nc3cc(ccc3nc2C)C(F)(F)F)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"631583"	"631583"	"STK788796"	"NC1=C(C#N)C(c2ccccc2)c3ccc4cccnc4c3O1"	0	""	""	2	2	364824	""
"631672"	"631672"	""	"CC\C(=N/NC(=O)c1cc2ccccc2cc1O)\CC(=O)CCC(=O)Nc3ccc(C)c(C)c3"	0	NA	NA	1	1	NA	""
"631689"	"631689"	"4-(2-(2,4-dinitrophenyl)hydrazono)-N-(3,4  dimethylpheny..."	"Cc1ccc(NC(=O)CC\C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\CC(=O)C(C)(C)C)cc1C"	0	""	""	1	1	6150012	""
"631691"	"631691"	"1,2-Dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene"	"Cc1cc(CS(=O)(=O)\C=C\c2ccccc2[N+](=O)[O-])c(CS(=O)(=O)\C=C\c3ccccc3[N+](=O)[O-])cc1C"	0	""	""	3	2	5388090	""
"631692"	"631692"	"2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene"	"Clc1ccc(\C=C\S(=O)(=O)Cc2ccccc2CS(=O)(=O)\C=C\c3ccc(Cl)cc3Cl)c(Cl)c1"	0	""	""	1	1	5388091	""
"631700"	"631700"	"6-Hydroxy-4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione"	"Oc1ccc2C(=O)C(=O)C=C(c2c1)c3c(O)ccc4ccccc34"	0	""	""	1	1	364885	""
"631740"	"631740"	""	""	0	NA	NA	1	1	NA	""
"631844"	"631844"	"4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide"	"[O-][N+](=O)c1cccc(c1)C(=O)CC(=O)C(=O)Nc2nc(cs2)[N+](=O)[O-]"	0	""	""	1	1	364958	""
"631851"	"631851"	"6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide"	"Cc1ccccc1NC(=O)c2nc(S)nc(N)c2c3ccccc3C"	0	""	""	1	1	3004145	""
"631880"	"631880"	"Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid"	"NC(=O)\C(=C\c1ccc(cc1)C(O)P(=O)(O)O)\C#N"	0	""	""	1	1	5388097	""
"631887"	"631887"	"Trichloro(1-phenyl-2,3-butanedionato)molybdenum(IV)"	"[Cl-][Mo+4]1([Cl-])([Cl-])[O]=C(C)CC(=[O]1)c2ccccc2"	0	NA	NA	1	1	NA	""
"631888"	"631888"	"Chlorobisoximatobismuth(III)-dihydrochloride"	"[Cl-].[Cl-].[O-]1c2cccc3ccc[n+](c23)[Bi+3]14[O-]c5cccc6ccc[n+]4c56"	0	NA	NA	2	2	NA	""
"631893"	"631893"	"Chlorooxobis(2,4-pentanedione)vanadium(V)"	"[Cl-][V+3]12(=O)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	""	""	1	1	364991	""
"631894"	"631894"	"Bis-.mu.-propionatodiaquatetrabromorhenium(II)"	"CCC1=O[Re+3]2([OH2+])([BrH3-])([BrH3-])[O-]C(=O[Re+3]2([OH2+])([BrH3-])([BrH3-])[O-]1)CC"	0	NA	NA	1	1	NA	""
"631896"	"631896"	"cis-Diamminedimorpholinoplatinum(II)chloride"	"[Cl-].[NH3+][Pt+2]([NH3+])([NH+]1CCOCC1)[NH+]2CCOCC2"	0	""	""	1	1	24202186	""
"631911"	"631911"	"9H-[1,2,4]-Triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(ch..."	"ClCc1nc2Sc3ccccc3C(=O)n2n1"	0	""	""	5	5	365002	""
"631939"	"631939"	"(-)-(6R,10S,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-..."	"C[C@H]1CC=C(C)C(\C=C\C(=C\CC[C@@]2(CO)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)C1(C)C"	0	NA	NA	1	1	NA	""
"631940"	"631940"	"(+)-(6R,10S,11S,14S,26R)-26-Hydroxy-15-methylidenespiroi..."	"CC(=CCC\C(=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)C"	0	""	""	1	1	11969876	""
"631941"	"631941"	"16,17-tetra-dehydro-14,15-dihydro-spiroiridal"	"CC(=CCC\C(=C\C=C\C(=C)[C@@H]1CC[C@@]2([C@@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\COC(=O)C)C"	0	""	""	1	1	9893161	""
"631942"	"631942"	"(6R,10S,11R)-26.xi.-Hydroxy-13.xi.-oxaspiroirid-16-enal"	"CC(=CCC\C(=C\C=C\C(=C\C1C[C@@]2(C(O)O1)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\C)\C)C"	0	""	""	1	1	11969877	""
"631943"	"631943"	"(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury"	"COc1cc[c-](cc1)[Hg+2]2S=C3[N-]C=NC4=C3[NH+]2C=N4"	0	""	""	1	1	16684392	""
"631944"	"631944"	"(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury"	"COC1=CC=[C-](C=C1)[Hg+2]2[N-]3C(=O)C(=CNC3=[O]2)F"	0	""	""	1	1	498587	""
"631945"	"631945"	"(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury"	"NC1=NC2=C3[NH+](C=N2)[Hg+2](S=C3[N-]1)[c-]4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	3005600	""
"631946"	"631946"	"Anilinocarbamothioylsulfanyl(p-tolyl)mercury"	"CC1=CC=[C-](C=C1)[Hg+2]2[SH-]C(=S2)NNc3ccccc3"	0	""	""	1	1	3005601	""
"631965"	"631965"	"7-Hydroxy-2-nonyl-4H-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2ccc(O)cc2O1"	0	""	""	1	1	5375154	""
"631973"	"631973"	"7-(Benzyloxy)-2-nonyl-4H-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2ccc(OCc3ccccc3)cc2O1"	0	""	""	1	1	365038	""
"632000"	"632000"	"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide"	"NC1=NN(C(=O)C1C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccc3"	0	""	""	1	1	365042	""
"632001"	"632001"	"N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide"	"Clc1cccc(NC(=O)CCC(=O)C(C#N)c2ccccc2)c1"	0	""	""	1	1	365043	""
"632002"	"632002"	"3-Cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide"	"O=C(NCCCNC(=O)C(=O)C(C#N)c1ccccc1)C(=O)C(C#N)c2ccccc2"	0	""	""	1	1	365044	""
"632010"	"632010"	"N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide"	"NNC(=O)C(=O)N\N=C(/CCCC(=O)Nc1ccc(Cl)cc1)\CC(=O)c2ccc(F)cc2"	0	""	""	1	1	6374157	""
"632011"	"632011"	"3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide"	"CCc1ccccc1NC(=O)C(=O)C(C#N)c2ccccc2Cl"	0	""	""	1	1	365053	""
"632012"	"632012"	"2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide"	"NC(=O)\C(=N/NC(=O)c1cc2ccccc2cc1O)\C3C(=NN(C3=O)c4ccccc4)N"	0	""	""	1	1	9570015	""
"632023"	"632023"	"1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea"	"COc1ccc(cc1)C(\C(=N\NC(=O)NN)\c2ccc(OC)cc2)C3(O)C(=O)Nc4c(Cl)cc(Cl)cc34"	0	""	""	1	1	9570017	""
"632038"	"632038"	""	"NNC(=O)C(=O)N\N=C/1\CCCC1C(=O)CCC(=O)Nc2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"632108"	"632108"	""	"COC1=CC23C=CC1[C@H](C2=C(C)C(=O)N3C(=O)NC4CCCCC4)c5ccccc5"	0	NA	NA	1	1	NA	""
"632129"	"632129"	"(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile"	"Oc1ccc(O)c(\C=C\[N+]#[C-])c1"	0	""	""	3	3	5388136	""
"632131"	"632131"	""	"CC(CNCCCNCCNCCCNCO)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"632134"	"632134"	"5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one"	"COc1ccc(\C=N\Nc2nc(cs2)c3cc4OC(=O)N(C)c4cc3Cl)cc1OC"	0	""	""	1	1	9570019	""
"632184"	"632184"	""	"CCCSS[C@H]1NC(=O)[C@H]1NC(=O)COc2ccccc2"	0	NA	NA	1	1	NA	""
"632243"	"632243"	"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide"	"Cc1cccc(NC(=O)CC2S\C(=N/c3ccc(Cl)cc3C)\NC2=O)c1C"	0	""	""	1	1	135480970	""
"632244"	"632244"	"STK074931"	"NC1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1"	0	""	""	1	1	365143	""
"632294"	"632294"	"Methyl 2-morpholino-7-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate"	"COC(=O)C1=CNc2nc(nn2C1=O)N3CCOCC3"	0	""	""	1	1	365157	""
"632479"	"632479"	"1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane"	"COc1ccc(cc1OC)C2C(C(Cc3ccc(cc3)[N+](=O)[O-])c4cc(OC)c(OC)cc24)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	365186	""
"632536"	"632536"	"piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl- (8ci)"	"CC1(C)CC(CC(C)(C)N1)Nc2ccc(Nc3ccccc3)cc2"	0	""	""	5	2	365208	"24459889"
"632543"	"632543"	""	"[O-][N+](=O)c1oc(\C=C\C(=O)N2CCN(Cc3ccccc3)CC2)cc1"	0	NA	NA	1	1	NA	""
"632545"	"632545"	""	"NC12CC3CC(C1)CC(C3)(C2)C(=O)O"	0	NA	NA	1	1	NA	""
"632556"	"632556"	"trans-Bis(ethylenediamine)dichloroosmium(III)chloride- h..."	"[Cl-].[ClH-][Os+3]12([ClH-])([NH2+]CC[NH2+]1)[NH2+]CC[NH2+]2"	0	NA	NA	3	2	NA	""
"632559"	"632559"	"cis-Dichlorobis(2,4-pentandionato)osmium(VI)"	"[Cl-][Os+4]12([Cl-])([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	1	1	NA	""
"632560"	"632560"	"trans-Dichlorobis(2,4-pentandionato)osmium(VI)"	"[Cl-][Os+4]12([Cl-])([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	1	1	NA	""
"632566"	"632566"	"Pentaamminenitrogenosmium(II)chloride"	"[Cl-].[NH3+][Os+2]([NH3+])([NH3+])([NH3+])([NH3+])[N+]#N"	0	""	""	1	1	24202194	""
"632567"	"632567"	"Bis(salicylidene-tert-butylamine)cobalt(II)"	"CC(C)(C)[N+]1=Cc2ccccc2[O-][Co+2]13[O-]c4ccccc4C=[N+]3C(C)(C)C"	0	""	""	1	1	365225	""
"632573"	"632573"	"Tris(1,3-diphenylpropane-1,3-dionata)gallium(III)"	"C1C(=[O][Ga+3]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O]=C1c8ccccc8)c9ccccc9"	0	""	""	1	1	11979319	""
"632574"	"632574"	"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(IV)"	"[Cl-][Sn+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"632580"	"632580"	"Bis-2,4-dimethoxyphenylselenide"	"COc1ccc([Se]c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	365233	""
"632581"	"632581"	"Trisoxinatoindium(III)"	"[O-]1c2cccc3ccc[n+](c23)[In+3]145([O-]c6cccc7ccc[n+]4c67)[O-]c8cccc9ccc[n+]5c89"	0	NA	NA	1	1	NA	""
"632590"	"632590"	"18-Crown-6-tantalum(V)pentachloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]6CC[O+]1[Ta+5]23456"	0	""	""	1	1	54608657	""
"632596"	"632596"	"Tetrakis(1-fluoro-4-isocyano)rhodium(I)- tetrafluoroborate"	"Fc1ccc(cc1)[N+]#[C-][Rh+]([C-]#[N+]c2ccc(F)cc2)([C-]#[N+]c3ccc(F)cc3)[C-]#[N+]c4ccc(F)cc4"	0	NA	NA	1	1	NA	""
"632597"	"632597"	"Tetrakis(phenylisonitrile)rhodium(I)chloride"	"c1ccc(cc1)[N+]#[C-][Rh+]([C-]#[N+]c2ccccc2)([C-]#[N+]c3ccccc3)[C-]#[N+]c4ccccc4"	0	NA	NA	1	1	NA	""
"632598"	"632598"	"15-Crown-5-tris(2,4-pentadionato)vanadium(III)"	"CC1=O[V+3]23(O=C(C)[CH-]C(=O2)C)(O=C(C)[CH-]C(=O3)C)O=C(C)[CH-]1.C4COCCOCCOCCOCCO4"	0	""	""	1	1	365235	""
"632599"	"632599"	"15-Crown-5-vanadium(III)trichloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]1[V+3]2345"	0	""	""	1	1	54608066	""
"632600"	"632600"	"18-Crown-6-vanadium(III)trichloride"	"[Cl-].C1C[O+]2CC[O+]3CC[O+]4CC[O+]5CC[O+]6CC[O+]1[V+3]23456"	0	""	""	1	1	54611322	""
"632601"	"632601"	"2,3,6,7-Tetramethoxyseleniumanthrene"	"COc1cc2[Se]c3cc(OC)c(OC)cc3[Se]c2cc1OC"	0	""	""	2	1	365238	""
"632602"	"632602"	"CCRIS 4541"	"COc1ccc([Se]c2ccc(OC)cc2)cc1"	0	""	""	1	1	155624	""
"632603"	"632603"	"2,2'-Dicarboxy-diphenyl-diselenide"	"OC(=O)c1ccccc1[Se][Se]c2ccccc2C(=O)O"	0	""	""	1	1	23012	""
"632604"	"632604"	"Bis-p-tolylediselenide"	"Cc1ccc([Se][Se]c2ccc(C)cc2)cc1"	0	""	""	1	1	365239	""
"632606"	"632606"	"Bis(2,4-dimethoxyphenyl)diselenide"	"COc1ccc([Se][Se]c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	365241	""
"632608"	"632608"	"Diammine-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane- p..."	"N.[Cl-].C1C[O+]2CC[O+]3CC[NH+]4CC[O+]5CC[O+]6CC[NH+]1[Pt+2]23456"	0	""	""	1	1	54600828	""
"632618"	"632618"	"3,5-Diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-..."	"CCc1cc(CC)[nH]n1.CCc2cc(CC)[n+]([nH]2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3[nH]c(CC)cc3CC"	0	NA	NA	1	1	NA	""
"632620"	"632620"	"9-Methoxy-2-[(benzoyloxy)methyl]-5,11-dimethyl- 6H-pyrid..."	"COc1ccc2[nH]c3c(C)c4cc[n+](COC(=O)c5ccccc5)cc4c(C)c3c2c1"	0	""	""	1	1	365242	""
"632621"	"632621"	"9-Methoxy-2-[(propionyloxy)methyl]-5,11-dimethyl- 6H-pyr..."	"CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	1	1	365244	""
"632623"	"632623"	"2-[(Propionyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b] ..."	"CCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	365248	""
"632624"	"632624"	"6-(5-Hexen-1-yl)-2-methylellipticinium acetate"	"Cc1c2c[n+](C)ccc2c(C)c3c1c4ccccc4n3CCCCC=C"	0	""	""	1	1	365250	""
"632729"	"632729"	"Tris(2,2'-bipyridyle)neodymium(III)- trithiocyanate"	"[S-]C#N.c1cc[n+]2c(c1)c3cccc[n+]3[Nd+3]245([n+]6ccccc6c7cccc[n+]47)[n+]8ccccc8c9cccc[n+]59"	0	""	""	1	1	24202206	""
"632730"	"632730"	"Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Nd+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	24202207	""
"632731"	"632731"	"trans-[Aquachlorobis(1,10-phenanthroline) neodymium(III)..."	"[Cl-].[OH2+][Nd+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	NA	""
"632734"	"632734"	"Tris(1,10-phenanthroline)cerium(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ce+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	24202209	""
"632735"	"632735"	"trans-[Aquachlorobis(1,10-phenanthroline)cerium(III) -di..."	"[Cl-].[OH2+][Ce+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	NA	""
"632737"	"632737"	"Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate"	"[S-]C#N.c1cc2ccc3ccc[n+]4c3c2[n+](c1)[La+3]456([n+]7cccc8ccc9ccc[n+]5c9c78)[n+]%10cccc%11ccc%12ccc[n+]6c%12c%10%11"	0	""	""	1	1	24202211	""
"632738"	"632738"	"trans-[Aquachlorbis(1,10-phenanthroline)lanthanum(III)] ..."	"[Cl-].[OH2+][La+3]12([ClH-])([n+]3cccc4ccc5ccc[n+]1c5c34)[n+]6cccc7ccc8ccc[n+]2c8c67"	0	NA	NA	1	1	NA	""
"632739"	"632739"	"Chlorotristropolonatosilicon(IV)-hydrate"	"C1=CC=C2C(=[O][Si+4]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	NA	NA	1	1	NA	""
"632740"	"632740"	"Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic..."	"[Cl-][Si+4]12([Cl-])([O]=C(CC(=[O]1)C(C)(C)C)C(C)(C)C)[O]=C(CC(=[O]2)C(C)(C)C)C(C)(C)C"	0	NA	NA	1	1	NA	""
"632744"	"632744"	"Tetrakisoxinatogermanium(IV)-tetrahydrochloride"	"[Cl-].[O-]1c2cccc3ccc[n+](c23)[Ge+4]1456([O-]c7cccc8ccc[n+]4c78)([O-]c9cccc%10ccc[n+]5c9%10)[O-]c%11cccc%12ccc[n+]6c%11%12"	0	NA	NA	1	1	NA	""
"632745"	"632745"	"Dichlorobistropolonato-germanium(IV)"	"[ClH-][Ge+4]12([ClH-])(O=C3C=CC=CC=C3[O-]1)O=C4C=CC=CC=C4[O-]2"	0	NA	NA	1	1	NA	""
"632790"	"632790"	"Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-..."	"CS(=O)(C)[Pt+2]([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	""	""	5	4	498592	""
"632791"	"632791"	"Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N..."	"CS(=O)(c1ccccc1)[Pt+2]([ClH-])([ClH-])[n+]2cccc3ccccc23"	0	""	""	5	5	498593	""
"632792"	"632792"	"Ammonia; pentane-1,5-diamine; platinum(2+)"	"[Cl-][Pt+2]([Cl-])(N)NCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	""	""	1	1	6477757	""
"632794"	"632794"	"Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)"	"[Cl-][Pt+2]([Cl-])(N)NC(C)(C)CCC(C)(C)N[Pt+2]([Cl-])([Cl-])N"	0	""	""	1	1	6477758	""
"632795"	"632795"	"Ammonia; butane-1,4-diamine; chloroplatinum(1+)"	"[Cl-].[NH3+][Pt+2]([NH3+])([ClH-])[NH2+]CCCC[NH2+][Pt+2]([NH3+])([NH3+])[ClH-]"	0	""	""	1	1	6477759	""
"632804"	"632804"	"Trichlorooxobisoxinatomolybdenum(VI)"	"[Cl-][Mo+5](=O)([Cl-])([Cl-])([O-]c1cccc2cccnc12)[O-]c3cccc4cccnc34"	0	""	""	1	1	365257	""
"632805"	"632805"	"Dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-O-..."	"[Cl-][Mo+4]12([Cl-][Mo+4]1([Cl-])([Cl-]2)([O-]c3ccc(Cl)c(C)c3)[O-]c4ccc(Cl)c(C)c4)([O-]c5ccc(Cl)c(C)c5)[O-]c6ccc(Cl)c(C)c6"	0	NA	NA	1	1	NA	""
"632814"	"632814"	"Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate"	"O=C1C2=C(c3ccccc3)[O-][Ni+2]4([O]=C5C(=C(c6ccccc6)[O-]4)C(=O)c7ccccc57)[O]=C2c8ccccc18"	0	""	""	1	1	6711619	""
"632816"	"632816"	"Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate"	"O=C1C2=C(c3ccccc3)[O-][Mn+2]4([O]=C5C(=C(c6ccccc6)[O-]4)C(=O)c7ccccc57)[O]=C2c8ccccc18"	0	""	""	1	1	6711620	""
"632818"	"632818"	"Citratohydratogallium(III)"	"OC(=O)C12CC(=O)[O-][Ga+3]([OH+]1)([OH-])[O-]C(=O)C2"	0	NA	NA	1	1	NA	""
"632819"	"632819"	""	"[ClH-][Pt+2]([ClH-])([n+]1ccccc1)[n+]2ccccc2"	0	NA	NA	2	2	NA	""
"632820"	"632820"	""	"[ClH-][Pt+2]([ClH-])([n+]1ccccc1)[n+]2ccccc2"	0	NA	NA	1	1	NA	""
"632824"	"632824"	""	"ONC(C1CCC\C(=C/c2ccc(OCc3ccccc3)cc2)\C\1=N\O)c4ccc(OCc5ccccc5)cc4"	0	NA	NA	1	1	NA	""
"632825"	"632825"	""	"ONC(C1CCC\C(=C/c2ccc(Oc3ccccc3)cc2)\C\1=N\O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	1	1	NA	""
"632831"	"632831"	""	"Brc1ccc(\C=C\2/CCC\C(=C/c3ccc(Br)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"632835"	"632835"	"Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide"	"C[N+](C)(C)CCC(=O)CC[N+](C)(C)C"	0	""	""	1	1	365278	""
"632838"	"632838"	""	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"632839"	"632839"	"4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hyd..."	"Cc1ccc(\C=C\2/CNC\C(=C/c3ccc(C)cc3)\C2=O)cc1"	0	""	""	4	3	5351362	""
"632840"	"632840"	""	"COc1ccc(\C=C\2/CNC\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"632841"	"632841"	"4-Piperidinone, 1-(1-oxo-2-propenyl)-3,5-bis(phenyl- met..."	"C=CC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	7	5	5351364	""
"632843"	"632843"	"3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azoben..."	"Cc1cc(ccc1N=Nc2cccc(Cl)c2)N(CCC#N)CCC#N"	0	""	""	1	1	365292	""
"632848"	"632848"	"4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azoben..."	"Cc1cc(ccc1N=Nc2ccc(Br)cc2)N(CCC#N)CCC#N"	0	""	""	2	2	365297	""
"632850"	"632850"	"2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) ..."	"Cc1ccc(N=Nc2ccc(cc2C)N(CCC#N)CCC#N)c(Br)c1"	0	""	""	1	1	365299	""
"632855"	"632855"	"9-Chloro-2-methylellipticinium acetate, hydrate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(Cl)ccc4[nH]c13"	0	""	""	7	6	10383530	""
"632859"	"632859"	"Dichlorodiethoxy(2,4-pentanedionato)tantalum(V)"	"[Cl-][Ta+5]1([Cl-])([O]=C(C)CC(=[O]1)C)([O-]CC)[O-]CC"	0	NA	NA	1	1	NA	""
"632862"	"632862"	"Tetrakisoxinatosilicon(IV)tetrahydrochloride"	"[Cl-].[O-](c1cccc2cccnc12)[Si+4]34([O-]c5cccc6cccnc56)([O-]c7cccc8ccc[n+]3c78)[O-]c9cccc%10ccc[n+]4c9%10"	0	NA	NA	3	2	NA	""
"632865"	"632865"	"Dichlorobis(4-N,N-dimethylamine-1-nitrosyl-2-hydroxy-ben..."	"[Cl-][Si+4]12([Cl-])([O]=Nc3ccc(cc3[O-]1)N(C)C)[O]=Nc4ccc(cc4[O-]2)N(C)C"	0	NA	NA	1	1	NA	""
"632866"	"632866"	"Tetrachlorobis(4-amino-4H-1,2,4-triazole)ruthenium(IV) t..."	"Nn1cn[n+](c1)[Ru+4]([ClH-])([ClH-])([ClH-])([ClH-])[n+]2cn(N)cn2"	0	NA	NA	1	1	NA	""
"632876"	"632876"	"Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-..."	"CN(C)c1ccc(cc1)[N+]2=Nc3c([O-][Ir+]2(C#O)C#O)ccc4ccccc34"	0	""	""	2	1	6711626	""
"632877"	"632877"	"Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]- iri..."	"O#C[Ir+]1([O-]c2ccc3ccccc3c2N=[N+]1c4ccccc4)C#O"	0	""	""	2	2	6711627	""
"632880"	"632880"	"Dicarbonyl(1,3-diphenyl-1,3-propanedionato)iridium(I)"	"O#C[Ir+]1(O=C([CH-]C(=O1)c2ccccc2)c3ccccc3)C#O"	0	""	""	1	1	6711630	""
"632882"	"632882"	"Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)- naphthaline..."	"O#C[Ir+]1([O-]c2ccc3ccccc3c2C=[N+]1c4ccc(cc4)C#N)C#O"	0	""	""	1	1	6711631	""
"632907"	"632907"	"3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone"	"CC1=CC(=O)N(C(=N1)\C=C(/O)\c2ccncc2)c3c(C)cccc3Cl"	0	""	""	1	1	135510108	""
"632913"	"632913"	"1H,5H-Pyrazolo[1,2-a]pyrazolium, 4-(2-bromoethyl)- 2,3,6..."	"BrCC[N+]12CCCN1CCC2"	0	""	""	3	2	365322	""
"632923"	"632923"	"2H-1,4-Benzothiazin-3-one, 2-[2-(3-chlorophenylamino)-2-..."	"Clc1cccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c1"	0	""	""	2	1	365332	""
"632932"	"632932"	""	"NNC(=O)\C(=C\c1cccc(c1)[N+](=O)[O-])\NC(=O)c2ccccc2"	0	NA	NA	1	1	NA	""
"632933"	"632933"	""	"NNC(=O)\C(=C\c1ccc(Cl)cc1Cl)\NC(=O)c2ccccc2"	0	NA	NA	1	1	NA	""
"632938"	"632938"	"1,4-Cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, di..."	"COC(=O)C1=C(O)C(=C(C1)C(=O)OC)O"	0	NA	NA	1	1	NA	""
"632953"	"632953"	""	"O=C(NCc1ccccc1)C2C(=O)N(Cc3ccccc3)C(=O)C2=O"	0	NA	NA	1	1	NA	""
"632955"	"632955"	"N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"CCc1cccc(C(C)C)c1NC(=O)CC2Sc3ccccc3NC2=O"	0	""	""	1	1	365369	""
"632959"	"632959"	"N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"CCC(C)c1cccc(CC)c1NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O"	0	""	""	1	1	365373	""
"632990"	"632990"	"ABRIN A"	""	0	NA	NA	2	1	NA	""
"632996"	"632996"	"2AcNHPh-S-Ph"	"CC(=O)Nc1ccccc1Sc2ccccc2"	0	""	""	1	1	365383	""
"632999"	"632999"	"2NH2Ph-SO-Ph"	"Nc1ccccc1S(=O)c2ccccc2"	0	""	""	1	1	365386	""
"633000"	"633000"	"2AcNHPh-SO-Ph"	"CC(=O)Nc1ccccc1S(=O)c2ccccc2"	0	""	""	1	1	365387	""
"633001"	"633001"	"Benzene, 1,1'-sulfonylbis(2-nitro-"	"[O-][N+](=O)c1ccccc1S(=O)(=O)c2ccccc2[N+](=O)[O-]"	0	""	""	4	1	365388	""
"633003"	"633003"	"Acetamide, N-[2-(phenylsulfonyl)phenyl]-"	"CC(=O)Nc1ccccc1S(=O)(=O)c2ccccc2"	0	""	""	1	1	365390	""
"633016"	"633016"	"9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(cc4)S(=O)(=O)N)c5ccccc5nc23)cc1"	0	""	""	1	1	365396	""
"633017"	"633017"	"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(cc4)S(=O)(=O)NC(=N)N)c5ccccc5nc23)cc1"	0	""	""	1	1	365397	""
"633021"	"633021"	"1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(cc5)S(=O)(=O)Nc6nc(C)cc(C)n6)c7ccccc7nc34)cc2)n1"	0	""	""	1	1	365401	""
"633032"	"633032"	"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(cc5)S(=O)(=O)N)c6ccccc6nc34)cc2)n1"	0	""	""	2	2	365412	""
"633033"	"633033"	"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(cc5)S(=O)(=O)NC(=N)N)c6ccccc6nc34)cc2)n1"	0	""	""	1	1	365413	""
"633041"	"633041"	"1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(cc5)S(=O)(=O)NC(=N)N)c6ccccc6nc34)cc2)n1"	0	""	""	1	1	365421	""
"633061"	"633061"	""	"CCCCCCCC(=O)OCC1OC(C(NC(=O)OCc2ccccc2)C(O)C1O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	1	1	NA	""
"633065"	"633065"	"[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxan-2-yl]methyl dodecanoate"	"CCCCCCCCCCCC(=O)OCC1OC(C(N)C(OC(=O)CCCCCCCCCCC)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	365440	""
"633067"	"633067"	""	"CCCCCCCC(=O)OCC1OC(C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCC)C1O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	1	1	NA	""
"633091"	"633091"	"6-O[N-(3'-chloro-7'-methoxyacridyl-9')-.beta.-alanyl]-mu..."	"COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(O[C@H](C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)OCc4ccccc4)C(NC(=O)C)C=O)c2c1"	0	NA	NA	1	1	NA	""
"633093"	"633093"	"6-O[N-1'-nitroacridyl-9')-.beta.-alanyl]muramyl dipeptide"	"CC(NC(=O)[C@@H](C)OC(C(O)C(O)COC(=O)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(NC(=O)C)C=O)C(=O)NC(CCC(=O)N)C(=O)OCc4ccccc4"	0	NA	NA	1	1	NA	""
"633094"	"633094"	"8-(3-Amino-p-toluamido)-1,3,5-napthalene-trisulfonic aci..."	"Cc1ccc(cc1N)C(=O)Nc2ccc(c3cc(cc(c23)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	NA	""
"633100"	"633100"	""	"CN1N=C(C(=C(N2CCOCC2)C1=O)C(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"633104"	"633104"	"Pyridazin-3(2H)-one, 5-[3-(4-chlorophenyl)-1-oxo-2-prope..."	"CN1N=C(C(=C(N2CCCC2)C1=O)C(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	6380585	""
"633105"	"633105"	"5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone"	"CN1N=C(C(=C(N2CCCC2)C1=O)C(=O)\C=C\c3ccc(F)cc3)c4ccccc4"	0	""	""	1	1	6380586	""
"633106"	"633106"	""	"CN1N=C(C(=C(N2CCCCC2)C1=O)C(=O)\C=C\c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"633109"	"633109"	""	"CN1N=C(C(=C(N2CCCCC2)C1=O)C(=O)\C=C\c3ccc(F)cc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"633112"	"633112"	"3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one"	"CN1N=C(c2ccccc2)c3c(onc3C1=O)\C=C\c4ccc(F)cc4"	0	""	""	1	1	6306698	""
"633113"	"633113"	"[1,2,3,4]Tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit..."	"CCN1C(=S)N(CC)C2=C1SSSSC3=C2N(CC)C(=S)N3CC"	0	""	""	4	3	365480	""
"633116"	"633116"	"2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine"	"CCc1cc2c(Nc3ccccc3)c4CCCCc4nc2s1"	0	""	""	1	1	365483	""
"633118"	"633118"	"N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline"	"CC1CN(CC(C)O1)C2=N\C(=N/c3ccc(C)cc3)\c4ccccc24"	0	""	""	1	1	365485	""
"633190"	"633190"	"5-(1H-Benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one"	"O=C1SC(=C(\N=C\c2ccccc2)N1c3ccccc3)c4nc5ccccc5[nH]4"	0	""	""	1	1	9555816	""
"633194"	"633194"	"2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one"	"O=C1CSC(=N1)Cc2nc3ccccc3[nH]2"	0	""	""	2	1	365514	""
"633203"	"633203"	"LS-150387"	"COc1cc(cc(OC)c1OC)C2=NN3C(=O)N(C(=O)N=C3S2)c4ccc(Cl)cc4"	0	""	""	3	2	365515	""
"633207"	"633207"	"5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline"	"CN1C2C(N(C)c3ccccc3N2C)N(C)c4ccccc14"	0	""	""	1	1	365519	""
"633209"	"633209"	"Imidazo[2,1-b]thiazole-5-carboxamide, N-[(4-chlorophenyl..."	"Clc1ccc(NC(=O)NC(=O)c2c(Cl)nc3sccn23)cc1"	0	""	""	6	2	365521	""
"633234"	"633234"	"8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,3,5- naphth..."	"Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	0	NA	NA	1	1	NA	""
"633242"	"633242"	"Methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-"	"Fc1ccc(cc1)C(=O)c2cccc(n2)C(=O)c3ccc(F)cc3"	0	""	""	5	1	365542	""
"633248"	"633248"	"3,3'-(6,6'-(4,4'-thiobis(4,1-phenylene))bis(1,3-dioxo-4,..."	"O=C1N(C(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccc(Sc6ccc(cc6)c7c(c8ccccc8)c9C(=O)N(C(=O)c9c(c%10ccccc%10)c7c%11ccccc%11)c%12cccc(c%12)C#N)cc5)c2c%13ccccc%13)c%14cccc(c%14)C#N"	0	""	""	1	1	16129764	""
"633251"	"633251"	"6,6'-(4,4'-methylenebis(4,1-phenylene))bis(2-(3-ethynylp..."	"O=C1N(C(=O)c2c1c(c3ccccc3)c(c4ccccc4)c(c5ccc(Cc6ccc(cc6)c7c(c8ccccc8)c9C(=O)N(C(=O)c9c(c%10ccccc%10)c7c%11ccccc%11)c%12cccc(c%12)C#C)cc5)c2c%13ccccc%13)c%14cccc(c%14)C#C"	0	""	""	1	1	16129766	""
"633253"	"633253"	"4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)- t..."	"O=C1C2C3C=CC(C4C3C(=O)N(C4=O)c5cccc(c5)C#C)C2C(=O)N1c6cccc(c6)C#C"	0	""	""	5	3	365547	""
"633258"	"633258"	"4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7-tetrone, ..."	"O=C1C2C3C=CC(C4C3C(=O)N(C4=O)c5cccc(c5)C#N)C2C(=O)N1c6cccc(c6)C#N"	0	""	""	5	2	365552	""
"633266"	"633266"	""	"C\C(=N/NS(=O)(=O)c1c(C)cc(C)cc1C)\c2ccc[n+]([O-])n2"	0	NA	NA	1	1	NA	""
"633267"	"633267"	""	"C\C(=N/NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])\c2ccc[n+]([O-])n2"	0	NA	NA	2	1	NA	""
"633268"	"633268"	"Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cccnn3"	0	""	""	1	1	9578851	""
"633270"	"633270"	"Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccc(C)nn3"	0	""	""	1	1	9578853	""
"633271"	"633271"	"Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccc(C)nn3"	0	""	""	1	1	9578854	""
"633272"	"633272"	"Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	""	""	1	1	15954130	""
"633273"	"633273"	"ANTINEOPLASTIC-633273"	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3cnccn3"	0	""	""	3	3	15954131	""
"633274"	"633274"	"Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate"	"[Fe+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	2	2	9578857	""
"633275"	"633275"	"Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1..."	"[Cu+].C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	3	2	9578858	""
"633276"	"633276"	"[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron"	"[Fe+].S=C(N\N=C\c1cccnn1)N2CC3CCC(CC3)C2"	0	""	""	1	1	9578859	""
"633320"	"633320"	"2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione"	"O=C1C=CC(=O)c2nc3CCCc3cc12"	0	""	""	1	1	365559	""
"633321"	"633321"	"7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid"	"COc1ccc2C(C3OCCN3C(=O)c2c1)C(=O)O"	0	""	""	1	1	365560	""
"633362"	"633362"	"1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	"OCC(O)C(O)C(O)c1nn(c2ccc(Cl)cc2)c3nc4cc(Cl)c(Cl)cc4nc13"	0	""	""	1	1	365567	""
"633364"	"633364"	"1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol"	"OCC(O)C(O)C(O)c1nn(c2ccc(F)cc2)c3nc4cc(Cl)c(Cl)cc4nc13"	0	""	""	1	1	365569	""
"633369"	"633369"	"1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline"	"o1c(nnc1c2nn(c3ccccc3)c4nc5ccccc5nc24)c6ccccc6"	0	""	""	1	1	365574	""
"633370"	"633370"	"3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline"	"Cc1ccc(cc1)c2oc(nn2)c3nn(c4ccccc4)c5nc6ccccc6nc35"	0	""	""	1	1	365575	""
"633392"	"633392"	""	"NC(=C(C#N)C#N)\C(=C/c1ccnc2ccccc12)\C#N"	0	NA	NA	1	1	NA	""
"633395"	"633395"	"LS-133590"	"O=C(CN(Cc1ccccc1)Cc2ccccc2)N3CCc4c([nH]c5ccccc45)C3c6cccnc6"	0	""	""	1	1	365594	""
"633397"	"633397"	"LS-133733"	"O=C(CN1CCN(CC1)c2ccccc2)N3CCc4c([nH]c5ccccc45)C3c6cccnc6"	0	""	""	2	1	365596	""
"633398"	"633398"	"LS-133613"	"Clc1cccc(c1)N2CCN(CC(=O)N3CCc4c([nH]c5ccccc45)C3c6cccnc6)CC2"	0	""	""	1	1	365597	""
"633402"	"633402"	"2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole"	"C(CN1CCc2c([nH]c3ccccc23)C1c4cccnc4)N5CCN(CC5)c6ccccc6"	0	""	""	1	1	365601	""
"633404"	"633404"	"LS-133633"	"CN(C)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c4cccnc4"	0	""	""	1	1	365603	""
"633408"	"633408"	"LS-133615"	"Clc1cccc(c1)N2CCN(CCC(=O)N3CCc4c([nH]c5ccccc45)C3c6cccnc6)CC2"	0	""	""	2	1	365607	""
"633483"	"633483"	"(E)-1-[2-(1H-Indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one"	"O=C(N1C(Cc2ccccc12)c3c[nH]c4ccccc34)\C(=C\c5ccccc5)\c6ccccc6"	0	""	""	1	1	5388203	""
"633484"	"633484"	"(E)-2-Methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one"	"C\C=C(/C)\C(=O)N1C(Cc2ccccc12)c3c(C)[nH]c4ccccc34"	0	""	""	1	1	5388204	""
"633495"	"633495"	"2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccnc2O1"	0	""	""	1	1	16683162	""
"633497"	"633497"	"2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine"	"CCCC[Sn]1(CCCC)OCc2nc(C)ccc2O1"	0	""	""	1	1	16683164	""
"633498"	"633498"	"2,2-Dibutyl-1,3,4,2-benzodioxazastannepine"	"CCCC[Sn]1(CCCC)ON=Cc2ccccc2O1"	0	""	""	1	1	16683165	""
"633500"	"633500"	"2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine"	"CCCC[Sn]1(CCCC)ON=C(C(O1)c2ccccc2)c3ccccc3"	0	""	""	1	1	16683569	""
"633501"	"633501"	"2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide"	"CCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1"	0	""	""	1	1	16683167	""
"633502"	"633502"	"2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cccnc2S1"	0	""	""	1	1	16683168	""
"633505"	"633505"	"2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one"	"CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1"	0	""	""	1	1	16683171	""
"633507"	"633507"	"2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid"	"O=C1CN2CCN3CC(=O)[O-][Sn+4]23([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)[O-]1"	0	""	""	1	1	16683173	""
"633508"	"633508"	"2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(C)O1"	0	""	""	1	1	16683570	""
"633509"	"633509"	"4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(Cc2ccccc2)O1"	0	""	""	1	1	16683174	""
"633510"	"633510"	"1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine"	"CCCC[Sn]1(CCCC)OCC(CN2CCCCC2)O1"	0	""	""	1	1	16683175	""
"633511"	"633511"	"4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine"	"CCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1"	0	""	""	1	1	16683176	""
"633512"	"633512"	"N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine"	"CCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1"	0	""	""	1	1	16683177	""
"633514"	"633514"	"[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate"	"CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN"	0	""	""	1	1	16683179	""
"633515"	"633515"	"[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate"	"CCCC[Sn](CCCC)(OC(=O)C(N)CSC)OC(=O)C(N)CSC"	0	""	""	2	1	16683180	""
"633516"	"633516"	"[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2"	0	""	""	1	1	16683181	""
"633527"	"633527"	"LS-133802"	"Cn1c2C(=O)N(CCCN3CCN(CC3)c4cccc(Cl)c4)CCc2c5ccccc15"	0	""	""	1	1	365674	""
"633530"	"633530"	"1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-..."	"Cn1c2C(=O)N(CCCCN3CCN(CC3)c4ccccc4)CCc2c5ccccc15"	0	""	""	4	2	365677	""
"633531"	"633531"	"LS-133803"	"Cn1c2C(=O)N(CCCCN3CCN(CC3)c4cccc(Cl)c4)CCc2c5ccccc15"	0	""	""	1	1	365678	""
"633543"	"633543"	""	"[O-][N+](=O)c1ccc(cc1)C2N3CCCCC3[C@H]4N2CCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	NA	""
"633544"	"633544"	""	"CCN(CC)c1ccc(cc1)C2N3CCCCC3[C@H]4N2CCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	NA	""
"633551"	"633551"	"1-(9-Methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone"	"COc1ccc2Cn3c(CCc2c1)c(C(=O)C)c4ccccc34"	0	""	""	1	1	365697	""
"633552"	"633552"	"Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(C3C(CC(C)(C)C=C3SC)S1)N(Cc4ccccc4)CCN2Cc5ccccc5"	0	""	""	1	1	365698	""
"633555"	"633555"	"Acylfulvene"	"CC1=CC2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	""	""	5	2	365701	""
"633558"	"633558"	"(1,4,7,10,13,16-Hexathiocyclooctadecaneplatinum(II)bis-(..."	"C1C[S+]2CC[S+]3CC[S+]4CC[S+]5CC[S+]6CC[S+]1[Pt+2]23456.c7cc[c-](cc7)[B+3]([c-]8ccccc8)([c-]9ccccc9)[c-]%10ccccc%10"	0	NA	NA	3	2	NA	""
"633559"	"633559"	"Dichloro(1,7,10,16-tetraoxa-4,13-diazoniacyclooctadecane..."	"[Cl-].[Cl-].C1C[O+]2CC[O+]3CC[NH+]4CC[O+]5CC[O+]6CC[NH+]1[Pt+2]23456"	0	""	""	1	1	54608807	""
"633561"	"633561"	"Tris(2-methylchinoline-8-olato)indium(III)"	"Cc1ccc2cccc3[O-][In+3]45([O-]c6cccc7ccc(C)[n+]4c67)([O-]c8cccc9ccc(C)[n+]5c89)[n+]1c23"	0	NA	NA	1	1	NA	""
"633562"	"633562"	"Tris(5,7-dibrominechinoline-8-olato)indium(III)"	"Brc1cc(Br)c2ccc[n+]3c2c1[O-][In+3]345([O-]c6c(Br)cc(Br)c7ccc[n+]4c67)[O-]c8c(Br)cc(Br)c9ccc[n+]5c89"	0	NA	NA	1	1	NA	""
"633605"	"633605"	"trans-1,2-Bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl)..."	"CC(C)CS(=O)(=O)\C(=C(/c1ccc(Br)cc1)\S(=O)(=O)CC(C)C)\c2ccc(Br)cc2"	0	NA	NA	1	1	NA	""
"633654"	"633654"	"Immune Factor Extract from DBA/2 light grey mouse"	""	0	NA	NA	1	1	NA	""
"633656"	"633656"	"D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2"	"CC(C)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CS)NC(=O)C(N)Cc4ccc5ccccc5c4)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N"	0	""	""	2	1	365716	""
"633657"	"633657"	"D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2"	"CC(O)C(NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CS)NC(=O)C(N)Cc4ccccc4)C(=O)N"	0	""	""	2	1	365717	""
"633659"	"633659"	"D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe"	"COC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc4c(F)c(F)c(F)c(F)c4F)C(C)C"	0	""	""	2	1	365719	""
"633663"	"633663"	"D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-.psi.CH2NH-Cpa-NH2"	"CC(C)CC(CNC(Cc1ccc(Cl)cc1)C(=O)N)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(=O)O)NC(=O)C(N)Cc5ccccc5)C(C)C"	0	""	""	1	1	365722	""
"633670"	"633670"	"1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole"	"C1CCCc2cc(c(cc2CC1)n3nnc4CCCCCCc34)n5nnc6CCCCCCc56"	0	""	""	1	1	365729	""
"633685"	"633685"	"9-N-(N'-chloroethyl-N'-1,6-diaminohexyl) 2-methoxyacridi..."	"COc1ccc2nc3ccccc3c(NCCCCCCN(C)CCCl)c2c1"	0	""	""	1	1	365734	""
"633713"	"633713"	"L-Ornithine, N.alpha.-[4-[[(2,4-diamino-6-pteridinyl)met..."	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	5	2	360682	"113857877"
"633781"	"633781"	"Lovastatin"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	"FDA approved"	1	1	NA	"75330755"
"633782"	"633782"	"Simvastatin"	"CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	"AM|NonCan:Chol"	"FDA approved"	1	1	NA	"79902639"
"633784"	"633784"	"1,4-bis(fluoromethanesulfonyloxy)-butane"	"FCS(=O)(=O)OCCCCOS(=O)(=O)CF"	0	""	""	1	1	365755	""
"633785"	"633785"	"4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro [..."	"CN1c2ccccc2C(=O)c3c(O)c4C(=C)C(C)(C)Oc4cc13"	0	""	""	1	1	5388212	""
"633787"	"633787"	"Ethyl 1-methyl-2-oxo-4-(prop-2-yn-1-yloxy)-1,2-dihydroquinoline-3-carboxylate"	"CCOC(=O)C1=C(OCC#C)c2ccccc2N(C)C1=O"	0	""	""	1	1	365758	""
"633788"	"633788"	"Almeine"	"CN1C(=O)C2=C(OC(C2)C(=C)C)c3ccccc13"	0	""	""	1	1	183727	""
"633907"	"633907"	"4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5)C)C(=O)Nc6ccccc6)C(=O)Nc7ccccc7"	0	""	""	3	1	365832	""
"633909"	"633909"	"4-[4-[3,5-Bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2C)c3ccc(cc3)C4C(=CNC=C4C(=O)Nc5ccccc5C)C(=O)Nc6ccccc6C)C(=O)Nc7ccccc7C"	0	""	""	2	1	365834	""
"633911"	"633911"	"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)NCc2ccccc2)c3ccccc3C)C(=O)NCc4ccccc4"	0	""	""	2	1	365836	""
"633912"	"633912"	"4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2C)c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5C)C)C(=O)Nc6ccccc6C)C(=O)Nc7ccccc7C"	0	""	""	3	2	365837	""
"633915"	"633915"	"4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone"	"ClC1=C(Cl)C(=O)N(CCc2ccncc2)N=C1"	0	""	""	1	1	365840	""
"633918"	"633918"	"4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone"	"CC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	1	1	365844	""
"633919"	"633919"	"4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3ccc(cc3)C4C(=C(C)NC(=C4C(=O)Nc5ccccc5OC)C)C(=O)Nc6ccccc6OC)C(=O)Nc7ccccc7OC)C"	0	""	""	2	1	365845	""
"633923"	"633923"	"2-[(3E)-3-[(2,4-Dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione"	"C\C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\CCN2NC(=O)C=CC2=O"	0	""	""	1	1	9570027	""
"633925"	"633925"	"(6Z)-6-[(2-Nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one"	"[O-][N+](=O)c1ccccc1\C=C\2/Sc3nnc(c4cccnc4)n3C2=O"	0	""	""	1	1	5388226	""
"633942"	"633942"	""	"[O-][N+](=O)c1cccc(\C=C\2/Sc3nc4ccccc4n3C2=O)c1"	0	NA	NA	1	1	NA	""
"633956"	"633956"	"EN300-06462"	"CCOC(=O)CC1=Nc2ccccc2SC1"	0	""	""	1	1	365879	""
"633959"	"633959"	"STK878624"	"[O-][N+](=O)c1ccccc1\C=C\2/Sc3nc4ccccc4n3C2=O"	0	""	""	3	1	830841	""
"633963"	"633963"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	NA	""
"633964"	"633964"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	NA	""
"633975"	"633975"	"1-(p-Methylanilinomalonyl)-3-(N-meta toluidino-N-.beta.-..."	"Cc1ccc(NC(=O)CC(=O)N2N=C(CC2c3ccccc3)N(CCC#N)c4cccc(C)c4)cc1"	0	""	""	1	1	365894	""
"634035"	"634035"	"4-amino-3-iodo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] ..."	"NC1=NNC(=O)c2c1c(I)cn2C3OC(CO)C(O)C3O"	0	""	""	1	1	365913	""
"634036"	"634036"	"4-amino-3-bromo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d]..."	"NC1=NNC(=O)c2c1c(Br)cn2C3OC(CO)C(O)C3O"	0	""	""	2	2	365914	""
"634037"	"634037"	"4-amino-3-bromo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d]..."	"Nc1nncc2c1c(Br)cn2C3OC(CO)C(O)C3O"	0	""	""	2	2	365915	""
"634040"	"634040"	""	"CC1CCC2[C@@H](C)COC3O[C@]4(C)CCC1C23OO4"	0	NA	NA	1	1	NA	""
"634047"	"634047"	"Di(cis-diammine)bis(.alpha.,.alpha.'-diethyl-4,4'-stilbe..."	"CC\C(=C(\CC)/c1ccc(OP2(=O)[O-][Pt+2](N)(N)[O-]2)cc1)\c3ccc(OP4(=O)[O-][Pt+2](N)(N)[O-]4)cc3"	0	""	""	1	1	54608093	""
"634049"	"634049"	"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd..."	"[Cl-][Mo+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"634050"	"634050"	"cis-Dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]..."	"[Cl-][Mo+4]12([Cl-])([O]=C(C)CC(=[O]1)c3ccc(Cl)cc3)[O]=C(C)CC(=[O]2)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"634174"	"634174"	"3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone"	"CC(C)(C)C(=O)C(c1ccc(cc1)c2cscn2)c3ccc(cc3)c4cscn4"	0	""	""	2	2	366001	""
"634182"	"634182"	"2,5-Pyrrolidinedione, 1-(3-ethynylphenyl)-"	"O=C1CCC(=O)N1c2cccc(c2)C#C"	0	""	""	3	2	366009	""
"634184"	"634184"	"2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile"	"Clc1ccc(cc1)C(C#N)c2cccc(n2)C(C#N)c3ccc(Cl)cc3"	0	""	""	1	1	366011	""
"634186"	"634186"	"1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone"	"O=C1CCCN1C2(Cc3ccccc3)OC(=O)C2c4ccccc4"	0	""	""	1	1	366013	""
"634220"	"634220"	"N-propylpropaneciamine Nitric Oxide Adduct"	"CCCN(CCCN)[N+](=NO)[O-]"	0	NA	NA	1	1	NA	""
"634224"	"634224"	"1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-"	"OC1=C(C(=O)c2ccccc12)c3cnc4ccccc4n3"	0	""	""	4	2	366050	""
"634285"	"634285"	"(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane"	"CCCC[Sn](CCCC)(CCCC)\C(=C\[Si](C)(C)c1ccccc1)\c2ccc3OCOc3c2"	0	""	""	1	1	5388266	""
"634353"	"634353"	"5,6-Diazaspiro[2,4]hept-4-ene-1,1-dicarbonitrile, 4-meth..."	"CC1=NN(C(=O)C12[C@H](c3ccccc3)C2(C#N)C#N)c4ccccc4"	0	NA	NA	2	2	NA	""
"634365"	"634365"	"Tris(5-nitrotropolonato)bismuth(III)"	"[O-][N+](=O)C1=CC=C2[O-][Bi+3]34(O=C5C=CC(=CC=C5[O-]3)[N+](=O)[O-])(O=C6C=CC(=CC=C6[O-]4)[N+](=O)[O-])O=C2C=C1"	0	NA	NA	1	1	NA	""
"634366"	"634366"	"Tris(tropolonato)bismuth(III)"	"C1=CC=C2C(=[O][Bi+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	NA	NA	1	1	NA	""
"634368"	"634368"	"Chlorobis(4-ethyltropolonato)bismuth(III)"	"[Cl-][Bi+3]12([O]=C3C=CC=C(CC)C=C3[O-]1)[O]=C4C=CC=C(CC)C=C4[O-]2"	0	NA	NA	2	1	NA	""
"634371"	"634371"	"Tris(phenylazotropolonato)bismuth(III)"	"C1=C(C=CC2=[O][Bi+3]34([O]=C5C=CC(=CC=C5[O-]3)\N=N\c6ccccc6)([O]=C7C=CC(=CC=C7[O-]4)\N=N\c8ccccc8)[O-]C2=C1)\N=N\c9ccccc9"	0	NA	NA	1	1	NA	""
"634372"	"634372"	"Chlorobis(4-isopropyltropolonato)bismuth(III)"	"[Cl-][Bi+3]12([O]=C3C=CC=C(C=C3[O-]1)C(C)C)[O]=C4C=CC=C(C=C4[O-]2)C(C)C"	0	NA	NA	3	2	NA	""
"634373"	"634373"	"[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol"	"NC1NC=NC2C1N=CN2C3OC(CO)C4O[Sn]OC34"	0	""	""	1	1	16683571	""
"634374"	"634374"	"tin monocatecholate"	"O1[Sn]Oc2ccccc12"	0	""	""	1	1	16685274	""
"634375"	"634375"	"5-Nitro-1,3,2lambda2-benzodioxastannole"	"[O-][N+](=O)c1ccc2O[Sn]Oc2c1"	0	""	""	1	1	16684872	""
"634396"	"634396"	"2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[(3-chloro-2-methylp..."	"Cc1c(Cl)cccc1NC(=O)CC2Sc3ccccc3NC2=O"	0	NA	NA	7	3	NA	""
"634398"	"634398"	""	"Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1"	0	NA	NA	4	2	NA	""
"634399"	"634399"	"N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c(C)c1"	0	""	""	2	1	366112	""
"634405"	"634405"	"N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1"	0	""	""	1	1	366118	""
"634412"	"634412"	"2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide"	"CCOc1ccc(NC(=O)CC2SC(=NC2=O)Nc3ccc(C)cc3C)cc1"	0	""	""	1	1	135452644	""
"634414"	"634414"	"N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Clc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1"	0	""	""	1	1	366127	""
"634415"	"634415"	"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide"	"CC(C)c1cccc(C)c1NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O"	0	""	""	2	2	366128	""
"634416"	"634416"	"2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide"	"Cc1cc(Cl)ccc1NC(=O)CC2SC(=NC2=O)NC(=O)c3ccccc3Cl"	0	""	""	1	1	135466829	""
"634458"	"634458"	"Myristoyl hydroxamate"	"CCCCCCCCCCCCCC(=O)NO"	0	""	""	4	4	366134	""
"634471"	"634471"	"NCIMech_000253"	"CCOC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	2	1	366144	""
"634472"	"634472"	"Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate"	"COC(=O)C(=O)CC(=O)CCN1N=CC(=C(Cl)C1=O)Cl"	0	""	""	3	2	366145	""
"634479"	"634479"	"STL455155"	"Oc1ccccc1\C=C\2/Sc3nc4ccccc4n3C2=O"	0	""	""	1	1	683298	""
"634481"	"634481"	"(E,4E)-4-(aminocarbamothioylhydrazono)-2,3-dichloro-but-2-enoic acid"	"NNC(=S)N\N=C\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	1	1	6065255	""
"634492"	"634492"	"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccccc2)c3ccc(Cl)c(Cl)c3)C(=O)Nc4ccccc4"	0	""	""	1	1	366165	""
"634494"	"634494"	"(E)-4-(2-carbamoylhydrazino)-2,3-dichloro-but-2-enoic acid"	"NC(=O)NNC\C(=C(/Cl)\C(=O)O)\Cl"	0	""	""	2	1	3004169	""
"634502"	"634502"	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide"	"Cc1cccc(C)c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	3	2	366175	""
"634503"	"634503"	"Acetamide, .alpha.-(2-chloro-1,4-dihydro- 1,4-dioxonapht..."	"CCc1cccc(CC)c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	3	3	366176	""
"634515"	"634515"	"1-(3-Bromo-4-methoxybenzyl)-3,4-dihydro-6,7- dimethoxyis..."	"COc1ccc(CC2=NCCc3cc(OC)c(OC)cc23)cc1Br"	0	""	""	1	1	366188	""
"634568"	"634568"	"Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone..."	"CN1C(=O)N(C)c2c(nc3sc4C(=O)c5ccccc5C(=O)c4n23)C1=O"	0	""	""	4	2	366232	""
"634570"	"634570"	"2-(2-Mercaptoanilino)benzonitrile"	"Sc1ccccc1Nc2ccccc2C#N"	0	""	""	1	1	366234	""
"634605"	"634605"	"Tris(tropolonato)lanthane(III)"	"C1=CC=C2C(=[O][La+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	366257	""
"634607"	"634607"	"Tris(tropolonato)europium(III)"	"C1=CC=C2C(=[O][Eu+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	366259	""
"634608"	"634608"	"Tris(tropolonato)dysprosium(III)"	"C1=CC=C2C(=[O][Dy+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	366260	""
"634609"	"634609"	"Tris(tropolonato)cerium(III)"	"C1=CC=C2C(=[O][Ce+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	366261	""
"634610"	"634610"	"Tris(tropolonato)samarium(III)"	"C1=CC=C2C(=[O][Sm+3]34([O]=C5C=CC=CC=C5[O-]3)([O]=C6C=CC=CC=C6[O-]4)[O-]2)C=C1"	0	""	""	1	1	366262	""
"634621"	"634621"	""	"CCN(CC)C1=C(C(=O)\C=C\c2ccccc2)C(=NN(C)C1=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"634622"	"634622"	""	"CCN(CC)C1=C(C(=O)\C=C\c2ccc(OC)cc2)C(=NN(C)C1=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"634641"	"634641"	"2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione"	"FC(F)(F)c1ccccc1N2C(=O)C3Nc4ccccc4SC3C2=O"	0	""	""	1	1	366290	""
"634643"	"634643"	"2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide"	"NC(=O)C(=O)N1N=CC(=C(Cl)C1=O)Cl"	0	""	""	3	2	366292	""
"634644"	"634644"	"2-Benzylideneacetoacetanilide"	"CC(=O)\C(=C/c1ccccc1)\C(=O)Nc2ccccc2"	0	""	""	1	1	5388295	""
"634647"	"634647"	"2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide"	"COc1ccccc1NC(=O)\C(=C\c2ccccc2)\C(=O)C"	0	""	""	1	1	5388297	""
"634660"	"634660"	"Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate"	"CCC(C)c1cccc(CC)c1NC(=O)C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)OC"	0	""	""	1	1	366310	""
"634663"	"634663"	"[(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea"	"COc1ccc2c(c1)[n+]([O-])c(\C(=N\NC(=S)N)\C)c(C)[n+]2[O-]"	0	""	""	2	1	135476760	""
"634667"	"634667"	"3-[(6Z)-6-[(2,4-Dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide"	"Clc1ccc(\C=C\2/Sc3nnc(CCC(=O)Nc4cc(Cl)c(Cl)cc4Cl)n3C2=O)c(Cl)c1"	0	""	""	2	1	5388306	""
"634698"	"634698"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	NA	""
"634699"	"634699"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	1	1	NA	""
"634724"	"634724"	"10,11-methylenedioxycamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	"TOP1"	""	4	3	72403	"104155897"
"634739"	"634739"	"(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-..."	"CC[C@@H]1OC2(C)CC(CC1O2)S(=O)(=O)c3ccccc3"	0	""	""	1	1	366363	""
"634740"	"634740"	"(+-)-endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-..."	"CC[C@@H]1OC2(C)CC(CC1O2)S(=O)(=O)c3ccccc3O"	0	NA	NA	1	1	NA	""
"634742"	"634742"	"2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione"	"O=C1N(CCN2C(=O)c3ccccc3C2=O)N=C(C=C1c4ccccc4)c5ccccc5"	0	""	""	1	1	366366	""
"634761"	"634761"	"Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)..."	"CC#[N+][Os+2]([BrH3-])([BrH3-])(C#O)(P(c1ccccc1)(c2ccccc2)c3ccccc3)P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	1	1	498712	""
"634763"	"634763"	""	"CN(N=O)C(=O)N(N)CCCCC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"634764"	"634764"	"L-Lysine, N-[(methylamino)carbonyl]-N'-(phenylmethoxy- c..."	"CNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	4	1	NA	""
"634766"	"634766"	""	"O=C(NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)NCC#C"	0	NA	NA	2	1	NA	""
"634770"	"634770"	"L-Lysine, N-[(2-propynylamino)carbonyl]-N'-[(phenyl- met..."	"O=C(NCC#C)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	NA	NA	4	3	NA	""
"634773"	"634773"	"1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione"	"C=CCN(N=O)C(=O)ON1C(=O)CCC1=O"	0	""	""	1	1	366404	""
"634779"	"634779"	"3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one"	"CC(CC1CC(=C)C(=O)O1)C(=O)CC2CC(=C)C(=O)O2"	0	""	""	1	1	366410	""
"634781"	"634781"	""	"ONC(C1CCC\C(=C/c2ccccc2)\C\1=N\O)c3ccccc3"	0	NA	NA	1	1	NA	""
"634783"	"634783"	""	"NC(=S)N\N=C/1\C(\CCCC1)=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"634784"	"634784"	"4-Piperidinone, 1-[3-(dimethylamino)-1-oxopropyl]-3,5- b..."	"CN(C)CCC(=O)N1C\C(=C\c2ccccc2)\C(=O)\C(=C/c3ccccc3)\C1"	0	NA	NA	4	4	NA	""
"634785"	"634785"	"4-Piperidinone, 1-[3-(diethylamino)-1-oxopropyl]-3,5-bis..."	"CCN(CC)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	3	3	NA	""
"634786"	"634786"	"4-Piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1- piperi..."	"O=C(CCN1CCCCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	2	NA	""
"634791"	"634791"	"(3Z,5Z)-3,5-Bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"CCN(CC)c1ccc(\C=C/2\C[N+](C)(C)C\C(=C/c3ccc(cc3)N(CC)CC)\C2=O)cc1"	0	""	""	5	4	54602033	""
"634792"	"634792"	"(3Z,5Z)-3,5-Bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"[I-].COc1ccc(\C=C/2\C[N+](C)(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1"	0	""	""	2	1	54608638	""
"634793"	"634793"	"(3Z,5Z)-1,1-Dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide"	"CSc1ccc(\C=C/2\C[N+](C)(C)C\C(=C\c3ccc(SC)cc3)\C2=O)cc1"	0	""	""	1	1	54601651	""
"634794"	"634794"	"(3Z,5Z)-3,5-Bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide"	"C[N+]1(C)C\C(=C\c2ccc(F)cc2)\C(=O)\C(=C/c3ccc(F)cc3)\C1"	0	""	""	1	1	54608810	""
"634800"	"634800"	""	"CN(C)CCCOc1ccc(\C=C/2\CCC\C(=C\c3ccc(OCCCN(C)C)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"634802"	"634802"	"Bullatalicin"	"CCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)C2CCC(CCCCCCC[C@H](O)CC3=C[C@@H](C)OC3=O)O2"	0	""	""	3	2	5459162	""
"634867"	"634867"	"2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one"	"CN1C(=S)N(C)C2(SC(C)(C)C2(C)C)C(C)(C)C1=O"	0	""	""	1	1	366460	""
"634926"	"634926"	"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"O=S1C(CC(=Nc2ccccc12)c3cccc4ccccc34)c5cccc6ccccc56"	0	""	""	1	1	366466	""
"634929"	"634929"	"4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide"	"CCC1C(=C(C)NC(=C1c2ccccc2C)C)C(=O)Nc3ccccc3C"	0	""	""	2	1	366470	""
"634931"	"634931"	"4-(4-Acetamidophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC(=O)Nc1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3C)C)C(=O)Nc4ccccc4C"	0	""	""	2	1	366472	""
"635000"	"635000"	""	"[Cl-][IrH+3](P(C)(C)C)(P(C)(C)C)(P(C)(C)C)([H-])[N-]1C=Cc2ccccc12"	0	NA	NA	1	1	NA	""
"635076"	"635076"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(N)N"	0	NA	NA	1	1	NA	""
"635089"	"635089"	"Peptide isolated from Viscum alblum extract (Iscador)"	""	0	NA	NA	1	1	NA	""
"635116"	"635116"	"Methyl 2-hydrazinyl-5-[5-(6-hydrazinyl-2-methoxycarbonyl-4-oxo-1H-pyridin-3-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate"	"COC(=O)c1nc(NN)cc(O)c1CCCCCc2c(O)nc(NN)nc2C(=O)OC"	0	""	""	2	1	135483932	""
"635119"	"635119"	""	"Cc1cc(Cl)ccc1N2C(=O)C(=O)C(\C(=N/NC(=O)c3ccccc3O)\C2=O)c4nc5ccccc5s4"	0	NA	NA	2	1	NA	""
"635120"	"635120"	"4-Vinyl-2,3-dihydro-1,2,3-thiadiazole"	"C=CC1=CSNN1"	0	""	""	2	1	366511	""
"635123"	"635123"	"3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide"	"Cc1cc(Cl)ccc1NC(=O)C(=O)Cc2oc3ccccc3n2"	0	""	""	2	1	366514	""
"635124"	"635124"	"Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate"	"CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC"	0	""	""	2	1	3004177	""
"635127"	"635127"	"N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide"	"CCc1cccc(C)c1NC(=O)CCc2oc(SC)nn2"	0	""	""	2	1	366518	""
"635130"	"635130"	"STK439738"	"COC(=O)CCC(=O)Nc1cccc(c1)C(F)(F)F"	0	""	""	2	1	366521	""
"635134"	"635134"	"2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide"	"C\C(=N/NC(=O)C(=O)N)\C1=C(C)Nc2ccccc2S1"	0	""	""	2	1	5388348	""
"635136"	"635136"	"5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2ccc3ccccc3c2)C(=O)Nc4c(Cl)cc(Cl)cc14"	0	""	""	2	1	366527	""
"635140"	"635140"	"NCIMech_000164"	"COC(=O)C1=C(C(=O)NC(=S)N1)c2ccc(Cl)cc2"	0	""	""	2	1	3004178	""
"635141"	"635141"	"N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide"	"CCOc1ccccc1NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2"	0	""	""	2	1	366532	""
"635150"	"635150"	"Dibromo(1-phenylbutane-1,3-dionato)titanium(IV)"	"[Br-][Ti+4]12([Br-])([O]=C(C)CC(=[O]1)c3ccccc3)[O]=C(C)CC(=[O]2)c4ccccc4"	0	NA	NA	1	1	NA	""
"635156"	"635156"	"Dibromobis(1,3-diphenyl-1,3-dionato)titanium(IV)"	"[Br-][Ti+4]12([Br-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"635157"	"635157"	"Dichlorobisoxinatotitanium(IV)"	"[ClH-][Ti+4]12([ClH-])([O-]c3cccc4ccc[n+]1c34)[O-]c5cccc6ccc[n+]2c56"	0	NA	NA	1	1	NA	""
"635158"	"635158"	"Dichlorobis(1,3-diphenyl-1,3-dionato)titanium(IV)"	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"635296"	"635296"	"3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c3ccc(Br)cc3"	0	""	""	2	1	366621	""
"635297"	"635297"	"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"CC(C(=O)c1ccc(O)cc1)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc23"	0	""	""	2	1	366622	""
"635306"	"635306"	"3'-Benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one"	"Clc1cc(Cl)c2NC(=O)C3(OC3C(=O)c4ccccc4)c2c1"	0	""	""	2	2	366631	""
"635320"	"635320"	"5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"CC(C(=O)c1ccc(Cl)cc1)C2(O)C(=O)Nc3c(C)cc(Cl)cc23"	0	""	""	2	1	366645	""
"635321"	"635321"	"6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)C(C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	366646	""
"635327"	"635327"	"4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2ccc3ccccc3c2)C(=O)Nc4c(Cl)ccc(Cl)c14"	0	""	""	1	1	366652	""
"635339"	"635339"	"N-[(E)-[1,4-Bis(4-bromophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide"	"Oc1ccccc1C(=O)N\N=C(/C(C#N)c2ccc(Br)cc2)\C(=O)C(C#N)c3ccc(Br)cc3"	0	""	""	1	1	9570041	""
"635340"	"635340"	"5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c3occc3"	0	""	""	2	2	366665	""
"635370"	"635370"	"mivobulin isethionate"	"CCOC(=O)Nc1cc2N[C@@H](C)C(=Nc2c(N)n1)c3ccccc3"	0	""	""	4	2	182762	""
"635371"	"635371"	"Sedoxantrone Trihydrochloride"	"CCN(CC)CCn1nc2c3ccc(O)cc3Sc4c(NCCN)ccc1c24"	0	NA	NA	1	1	NA	""
"635393"	"635393"	"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide"	"CC1=C(Sc2ccccc2N1)C(=O)CC(=O)C(=O)Nc3ccccc3"	0	""	""	1	1	366676	""
"635397"	"635397"	"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate"	"COC(=O)\C(=N/Nc1nnc(C)n1N)\C(C#N)c2ccccc2"	0	""	""	2	1	9570044	""
"635405"	"635405"	"1H-Indol-2-one, 3-[2-(2,4-dibromophenyl)-2-oxoethyl]- 5,..."	"OC1(CC(=O)c2ccc(Br)cc2Br)C(=O)Nc3c(Cl)cc(Cl)cc13"	0	""	""	3	3	366688	"907954410"
"635414"	"635414"	""	"Cc1nnc(N\N=C(/C(C#N)c2ccccc2)\C(=O)C(C#N)c3ccccc3)n1N"	0	NA	NA	2	1	NA	""
"635415"	"635415"	"Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate"	"COC(=O)\C(=N/NC(=O)c1ccccc1O)\C(C#N)c2ccc(Cl)cc2"	0	""	""	1	1	5930707	""
"635416"	"635416"	"6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c3ccc(Cl)cc3"	0	""	""	2	1	366699	""
"635418"	"635418"	"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide"	"Cc1ccc(NC(=O)CC2SC(=NC2=O)Nc3ccc(Cl)cc3)cc1C"	0	""	""	2	2	135483407	""
"635424"	"635424"	"(5Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione"	"Cc1ccc(C)c(c1)N2C(=O)C(=O)C(\C(=N\N)\C2=O)c3nc4ccccc4s3"	0	""	""	2	1	6165207	""
"635425"	"635425"	"4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide"	"[O-][N+](=O)c1ccc(cc1)C(=O)CC(=O)C(=O)Nc2nccs2"	0	""	""	2	1	366708	""
"635430"	"635430"	"6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one"	"Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	1	366714	""
"635434"	"635434"	"STK037888"	"CC(C(=O)c1ccccc1)C2(O)C(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	366718	""
"635438"	"635438"	"5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3c(Cl)cc(Cl)cc13"	0	""	""	2	1	366721	""
"635443"	"635443"	"4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one"	"OC1(CC(=O)c2occc2)C(=O)Nc3c(Cl)ccc(Cl)c13"	0	""	""	2	2	366726	""
"635445"	"635445"	""	"Nn1nc(S)nc1N\N=C(/C(C#N)c2ccccc2)\C(=O)C(C#N)c3ccccc3"	0	NA	NA	2	1	NA	""
"635447"	"635447"	""	"CN(C)C1=S[Ni+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	NA	NA	1	1	NA	""
"635448"	"635448"	"Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl..."	"CN(C)C1=S[Cu+2]2([BrH3-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	""	""	4	4	9578864	""
"635449"	"635449"	"Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropy..."	"CCCN(CCC)C1=S[Cu+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	""	""	4	4	9578865	""
"635450"	"635450"	"Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide"	"CC1=[N+]2[N-]C(=S[Cu+2]2([BrH3-])[n+]3ccccc13)N4CCCCCC4"	0	""	""	2	2	9578866	""
"635451"	"635451"	"Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipr..."	"CCCN(CCC)C1=S[Cu+2]2([BrH3-])([BrH3-])[N+](=Cc3cccc[n+]23)[N-]1"	0	""	""	4	2	9578867	""
"635453"	"635453"	"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2(1H)-one"	"COC1=NC(=O)N(C=N1)C2C=C(CO)C(O)C2O"	0	""	""	1	1	366731	""
"635461"	"635461"	"2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline"	"COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC"	0	""	""	1	1	366739	""
"635519"	"635519"	"STL261073"	"CCOC(=O)C(=O)Nc1ccccc1C(F)(F)F"	0	""	""	1	1	366746	""
"635524"	"635524"	"4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone"	"CCOc1ccccc1N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3"	0	""	""	1	1	366751	""
"635525"	"635525"	"4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone"	"FC(F)(F)c1cccc(c1)N2C(=O)C(=O)C(C(=O)C2=O)c3nc4ccccc4s3"	0	""	""	2	1	366752	""
"635526"	"635526"	"Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate"	"CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)C"	0	""	""	1	1	366753	""
"635541"	"635541"	"2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide"	"CC(C)c1ccccc1NC(=O)\C(=N/NC(=O)c2ccccc2O)\CC(=O)c3c(C)[n+]([O-])c4ccccc4[n+]3[O-]"	0	""	""	1	1	6285462	""
"635544"	"635544"	"(2E)-2-Hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide"	"Cc1c(C(=O)C\C(=N/O)\C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	6399319	""
"635545"	"635545"	"Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate"	"CCc1cccc(C(C)C)c1NC(=O)C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)OC"	0	""	""	1	1	366772	""
"635550"	"635550"	"3-[(6Z)-6-Benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide"	"Clc1ccc(Cl)c(NC(=O)CCc2nnc3S\C(=C/c4ccccc4)\C(=O)n23)c1"	0	""	""	1	1	5388395	""
"635552"	"635552"	""	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C\C(=N\OCCCc3ccccc3)\C(=O)Nc4cc(Cl)ccc4Cl)c(C)[n+]2[O-]"	0	NA	NA	1	1	NA	""
"635554"	"635554"	""	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)C\C(=N\NC(=O)CC#N)\C(=O)Nc3ccccc3C(F)(F)F)c(C)[n+]2[O-]"	0	NA	NA	1	1	NA	""
"635560"	"635560"	"3-(1-Azocanyl)-3-oxopropanenitrile"	"O=C(CC#N)N1CCCCCCC1"	0	""	""	1	1	366787	""
"635562"	"635562"	"3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile"	"O=C(CC#N)N1CCCOCCC1"	0	""	""	1	1	366789	""
"635563"	"635563"	"NCIMech_000095"	"Oc1ccc(cc1[N+](=O)[O-])c2nnc(S)[nH]2"	0	""	""	1	1	4359419	""
"635566"	"635566"	"A1-00852"	"CCOC(=O)C(=O)Nc1ccc(C)c(C)c1"	0	""	""	2	1	366793	""
"635570"	"635570"	"Acetamide, 2-ethoxy-2-oxo-N-(tricyclo[3.3.1.1(3,7)]decan..."	"CCOC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2"	0	""	""	1	1	366798	""
"635573"	"635573"	"4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate"	"Cc1ccc(cc1)C(=O)C(=C)C(=O)C(=O)Oc2ccc(Cl)cc2"	0	""	""	1	1	366801	""
"635583"	"635583"	"N-(4-Chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide"	"CC1=NN(C(=O)Nc2ccc(Cl)cc2)C(=O)C3CCC(=O)N13"	0	""	""	1	1	366811	""
"635591"	"635591"	"9-N-(N'-bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacri..."	"COc1ccc2nc3ccccc3c(NCCCCN(CCCl)CCCl)c2c1"	0	""	""	2	2	366819	""
"635691"	"635691"	""	"CCC1=C(C)C(=NC1=O)\C=C/2\N\C(=C\c3[nH]c(\C=C\4/C(/C(C(N4)=O)C)=C/C)c(C)c3CCC(=O)O)\C(=C2C)CCC(=O)O"	0	NA	NA	1	1	NA	""
"635818"	"635818"	"[5-Hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea"	"NC(=O)Nc1cc(O)ccc1N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3"	0	""	""	1	1	366842	""
"635823"	"635823"	"3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	"Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2)OC(=O)Nc3ccc(C)cc3)cc1"	0	""	""	1	1	366846	""
"635824"	"635824"	"LS-120604"	"Cc1ccccc1OCC(COC(=O)Nc2ccccc2)OC(=O)Nc3ccccc3"	0	""	""	1	1	366847	""
"635830"	"635830"	"AS-30619"	"OCC(O)COc1ccc(Br)cc1"	0	""	""	1	1	113926	""
"635831"	"635831"	"2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone"	"Cc1ccc(C)c(c1)C(=O)CC2OC(O)C(Cl)C2Cl"	0	""	""	1	1	366852	""
"635832"	"635832"	"LS-120557"	"COc1ccccc1OCC(COC(=O)Nc2ccccc2)OC(=O)Nc3ccccc3"	0	""	""	1	1	366853	""
"635834"	"635834"	"CBKinase1_002186"	"[O-][N+](=O)c1ccccc1NC(=O)CC2Sc3ccccc3NC2=O"	0	""	""	1	1	366855	""
"635842"	"635842"	"N-(2-Tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide"	"Cc1cccc(c1NC(=O)CC2Sc3ccccc3NC2=O)C(C)(C)C"	0	""	""	1	1	366863	""
"635893"	"635893"	"Tetrakis(4-methyltropolonato)thorium(IV)-hydrate"	"CC1=CC=CC(=O)C(=C1)[O-][Th+4]23([O]=C4C=CC=C(C)C=C4[O-]2)([O]=C5C=CC=C(C)C=C5[O-]3)[O-]C6=CC(=CC=CC6=O)C"	0	""	""	2	2	438410	""
"635894"	"635894"	"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(IV)"	"[Cl-][Hf+4]12([Cl-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"635899"	"635899"	"Chlorotris(1,3-diphenylpropane-1,3-dionato)zirconium(IV)"	"C1C(=[O][Zr+4]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O]=C1c8ccccc8)c9ccccc9"	0	""	""	1	1	11979327	""
"635900"	"635900"	"Tetrakis(pentane-2,4-dionato)zirconium(IV)"	"CC(=O)C\C(=[O]/[Zr+4]12(\[O]=C(\C)/CC(=O)C)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C)\C"	0	""	""	1	1	5388409	""
"635901"	"635901"	"trans-3-Methylpyrazolium[tetrachlorobis-3-methylpyrazole..."	"Cc1cc[nH]n1.Cc2cc[n+]([nH]2)[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]3ccc(C)[nH]3"	0	NA	NA	1	1	NA	""
"635904"	"635904"	"Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olat..."	"Oc1ccccc1[N+]2=[C-]c3ccccc3[O-][U+4]24(=O)(=O)[O-]c5ccccc5[C-]=[N+]4c6ccccc6O"	0	""	""	1	1	54687012	""
"635905"	"635905"	"Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)- hydrate"	"CC1=[O][U+2]2(=O)(=O)([O]=C(C)CC(=[O]2)c3ccccc3)[O]=C(C1)c4ccccc4"	0	""	""	1	1	366868	""
"635906"	"635906"	"Diethoxoy(1,4-diphenyltetradecane-1,3,12,14-tetraonato) ..."	"CC[O-][Ti+4]123([O]=C(CCCCCCCCC(=[O]1)CC(=[O]2)c4ccccc4)CC(=[O]3)c5ccccc5)[O-]CC"	0	""	""	1	1	366869	""
"635921"	"635921"	"2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]thiazolo[5,4-b]pyridin-4-ium iodide"	"CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)c3nc4ccc[n+](C)c4s3"	0	""	""	1	1	366877	""
"635922"	"635922"	""	"CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2)c3nc4cccn(C)c4n3"	0	NA	NA	1	1	NA	""
"635930"	"635930"	"10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one"	"CCN(CC)CCCNc1nccc2c(C)c3Nc4ccncc4C(=O)c3cc12"	0	""	""	2	2	366887	""
"635956"	"635956"	""	"Fc1ccc(cc1)C(=O)\C=C/c2cccc3ccccc23"	0	NA	NA	1	1	NA	""
"635957"	"635957"	"3,4-DICHLORO-4'-FLUOROCHALCONE"	"Fc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	5388422	""
"635958"	"635958"	"(E)-4-(3-Thionitrosophenyl)but-3-en-2-one"	"CC(=O)\C=C\c1cccc(c1)N=S"	0	""	""	2	2	5388423	""
"635963"	"635963"	"ZX-AT016285"	"Clc1ccc(C(=O)\C=C\c2ccccc2)c(Cl)c1"	0	""	""	1	1	5388428	""
"635971"	"635971"	"N,N'-Bis(2-hydroxyphenyl)malonamide"	"Oc1ccccc1NC(=O)CC(=O)Nc2ccccc2O"	0	""	""	1	1	366911	""
"635973"	"635973"	"Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury"	"COc1c(Cl)c([Hg]OC(=O)C)c(OC)c(NC(=O)CC(=O)C)c1[Hg]OC(=O)C"	0	""	""	1	1	16683866	""
"635979"	"635979"	"Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury"	"COc1cc([Hg]OC(=O)C)c(OC)c(NC(=O)CC(=O)C)c1[Hg]OC(=O)C"	0	""	""	2	2	16683868	""
"636009"	"636009"	"Crotoxin CD"	""	0	NA	NA	4	4	NA	""
"636084"	"636084"	"(Z)-4-(3-Chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid"	"CC1CCCC(C1)C(=O)\C(=C\c2cccc(Cl)c2)\C(=O)C(=O)O"	0	""	""	1	1	5351370	""
"636085"	"636085"	"3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]"	"Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2Cl)OC(=O)Nc3ccc(C)cc3)cc1"	0	""	""	1	1	366921	""
"636087"	"636087"	"3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol"	"CSc1ccc(OCC2OC2O)cc1"	0	""	""	2	1	366923	""
"636089"	"636089"	"Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-"	"OC1OC(CC(=O)c2cccnc2)C(=C1Cl)Cl"	0	""	""	2	1	366925	""
"636092"	"636092"	"Pyridine-3,5-dicarboxamide, 1,4-dihydro-2,6-dimethyl- 4-..."	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccccc3)C)C(=O)Nc4ccccc4"	0	""	""	7	3	366928	""
"636094"	"636094"	""	"CCOC(=O)\C(=C(/O)\C(=C\c1ccccc1Cl)\NC(=O)c2ccccc2)\C#N"	0	NA	NA	1	1	NA	""
"636095"	"636095"	"Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate"	"CCOC(=O)CC1NC(=O)CS1"	0	""	""	1	1	366931	""
"636097"	"636097"	"N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"COc1ccccc1NC(=O)C2=C(C)NC(=C(C2C3=CC=COC3)C(=O)Nc4ccccc4OC)C"	0	""	""	1	1	366933	""
"636112"	"636112"	"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide"	"Cc1cccc(c1NC(=O)CCC2=NNC(=S)O2)C(C)(C)C"	0	""	""	1	1	3004210	""
"636114"	"636114"	"1,3,5-Triazine-2,4-dithiol, 6-(3,4-dichlorophenoxy)-"	"Sc1nc(S)nc(Oc2ccc(Cl)c(Cl)c2)n1"	0	""	""	2	1	3004211	""
"636120"	"636120"	"1-(4-Chlorophenyl)-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea"	"[O-][N+](=O)c1cccc(\C=C\c2cc(nc(S)n2)C(=O)NNC(=O)Nc3ccc(Cl)cc3)c1"	0	""	""	1	1	5388439	""
"636138"	"636138"	"EU-0091995"	"COc1ccc(cc1)C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2"	0	""	""	2	1	366976	""
"636200"	"636200"	"BAR 2A5"	""	0	NA	NA	1	1	NA	""
"636207"	"636207"	"FRI 3B1"	""	0	NA	NA	1	1	NA	""
"636209"	"636209"	"LAC 4D12"	""	0	NA	NA	1	1	NA	""
"636218"	"636218"	"DHL 5D10"	""	0	NA	NA	1	1	NA	""
"636326"	"636326"	"Agrocybin"	"NC(=O)C#CC#CC#CCO"	0	""	""	1	1	11004	""
"636327"	"636327"	"2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide"	"Cc1cc2C(=O)c3ccccc3c2c(C(=O)N)c1C"	0	""	""	1	1	366999	""
"636336"	"636336"	""	"[O-][N+](=O)c1ccc(NC(=O)C2C(=O)N(C(=O)C2=O)c3ccc(cc3)[N+](=O)[O-])cc1"	0	NA	NA	1	1	NA	""
"636338"	"636338"	"STK032387"	"OC(=O)\C=C\C(=O)Nc1nc[nH]n1"	0	""	""	1	1	5388444	""
"636344"	"636344"	"4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine"	"Clc1ccc(C2=Nc3ccccc3SC(C2)c4ccc(Cl)c(Cl)c4)c(Cl)c1"	0	""	""	2	1	367017	""
"636365"	"636365"	"Dimethyl 2,10-bis(3-amino-5-oxo-5h-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate"	"COC(=O)C(CCCCCCCC(C(=O)OC)C1=Nc2nnc(N)n2C1=O)C3=Nc4nnc(N)n4C3=O"	0	""	""	2	2	135503466	""
"636373"	"636373"	""	"OC1Nc2cc(ccc2N/C/1=C/C(=O)c3cccc(c3)[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"636374"	"636374"	"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"Clc1ccc(cc1)C2=Nc3ccccc3S(=O)C(C2)c4cccs4"	0	""	""	1	1	367046	""
"636378"	"636378"	"N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	"[O-][N+](=O)c1ccc2N=CC(NC(=O)\C=C\c3ccccc3)C(=O)Nc2c1"	0	""	""	1	1	5388449	""
"636379"	"636379"	"2-(3-Nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione"	"[O-][N+](=O)c1cccc(c1)N2C(=O)C3Nc4ccccc4SC3C2=O"	0	""	""	2	1	367051	""
"636476"	"636476"	"cis-Difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di..."	"[F-][Ti+4]12([F-])([O]=C(C)CC(=[O]1)c3c(C)cc(C)cc3C)[O]=C(C)CC(=[O]2)c4c(C)cc(C)cc4C"	0	NA	NA	1	1	NA	""
"636481"	"636481"	"cis-Dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium..."	"[Cl-][Ti+4]12([Cl-])([O]=C(C)CC(=[O]1)c3cccs3)[O]=C(C)CC(=[O]2)c4cccs4"	0	NA	NA	1	1	NA	""
"636503"	"636503"	""	"Brc1ccc(cc1)N2C(=O)[C@H]3C4C=C5c6ccccc6N(c7ccccc7)C5([C@H]3C2=O)C8C4C(=O)N(C8=O)c9ccc(Br)cc9"	0	NA	NA	1	1	NA	""
"636506"	"636506"	"(Z)-2-Chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one"	"Cc1[nH]c2ccccc2c1C3Cc4ccccc4N3C(=O)\C(=C\c5ccccc5)\Cl"	0	""	""	2	1	5388493	""
"636510"	"636510"	"1-[(Z)-1-Chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(\C(=C\c2ccc(\C=C(/Cl)\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])cc2)\Cl)c(c1)[N+](=O)[O-]"	0	""	""	1	1	5388495	""
"636511"	"636511"	"1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene"	"[O-][N+](=O)c1ccc(C(Cl)C(Cl)c2ccc(cc2)C(Cl)C(Cl)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	2	2	367124	""
"636514"	"636514"	"Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate"	"COC(=O)C1=C(C(=O)OC)C23CC1C4C(=C(C(=O)OC)C24C5C=CC3C6C5C(=O)OC6=O)C(=O)OC"	0	""	""	1	1	367127	""
"636517"	"636517"	"10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione"	"CC12Nc3ccccc3C1=C(CC4C2C(=O)OC4=O)c5ccccc5"	0	""	""	1	1	367130	""
"636519"	"636519"	"RCL R153257"	"COC(=O)C1=C(C(=O)OC)C23CC1C4C(=C(C(=O)OC)C24C=CC=C3)C(=O)OC"	0	""	""	1	1	367132	""
"636520"	"636520"	"3-oxido-2-phenyl-1,3-benzoxazol-3-ium"	"[O-][n+]1c(oc2ccccc12)c3ccccc3"	0	""	""	2	2	367133	""
"636597"	"636597"	"Polymer containing stable free verdazyl radicals- polyel..."	""	0	NA	NA	2	2	NA	""
"636672"	"636672"	"Furo[2,3-b]benzofuran, 2,3,3a,8a-tetrahydro-5,7-diiodo-4..."	"COc1c(I)c(OC)c2[C@H]3CCO[C@H]3Oc2c1I"	0	NA	NA	1	1	NA	""
"636673"	"636673"	"Carbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1H-benzim..."	"O=C(Nc1ccccc1)OCc2nc3C(=O)C=CC(=O)c3[nH]2"	0	""	""	1	1	367178	""
"636675"	"636675"	"4-Piperidinone, 1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5- bis(..."	"O=C(CCN1CCCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	NA	""
"636676"	"636676"	"4-Piperidinone, 1-[3-(4-morpholinyl)-1-oxopropyl]- 3,5-b..."	"O=C(CCN1CCOCC1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	NA	""
"636679"	"636679"	""	"C[N+]1(C)C\C(=C/C=C/c2ccccc2)\C(=O)\C(=C\C=C\c3ccccc3)\C1"	0	NA	NA	4	4	NA	""
"636682"	"636682"	""	"O=C1\C(=C\c2ccc3OCCOc3c2)\CCC/C/1=C\c4ccc5OCCOc5c4"	0	NA	NA	1	1	NA	""
"636788"	"636788"	"1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one"	"Oc1ccccc1\C=C\C(=O)\C=C\c2ccccc2"	0	""	""	1	1	5904790	""
"636790"	"636790"	"2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxy- ph..."	"Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1"	0	NA	NA	1	1	NA	""
"636791"	"636791"	"3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one"	"Oc1ccc2ccccc2c1\C=C\C(=O)c3ccccc3"	0	""	""	1	1	5879764	""
"636792"	"636792"	""	"CN(C)c1ccc(\C=C(\NC(=O)c2ccccc2)/c3nc4cc(Cl)ccc4[nH]3)cc1"	0	NA	NA	3	1	NA	""
"636794"	"636794"	"2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol"	"COc1ccc(cc1)C2CC(=Nc3c(O)nc(S)nc3N2)C"	0	""	""	1	1	3004217	""
"636803"	"636803"	"2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane"	"CCCC[Sn]1(CCCC)OCC(COc2c(Cl)cc(Cl)cc2Cl)O1"	0	""	""	1	1	16683182	""
"636811"	"636811"	""	"Oc1ccccc1\C=C\C(=O)c2ccccc2O"	0	NA	NA	1	1	NA	""
"636859"	"636859"	"Cuspidatin C"	"CC(=O)OC1CC2CC3C(=C)C(CC(OC(=O)C)C3(C)C(OC(=O)C)C(OC(=O)C)C(=C1C)C2(C)C)OC(=O)\C=C\c4ccccc4"	0	""	""	1	1	5459164	""
"636861"	"636861"	""	"c1ccc2c(c1)[nH]c3c2nc4sccn34"	0	NA	NA	1	1	NA	""
"636869"	"636869"	"5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-glycero-hexopyran-4..."	"CC1OC(CCC1=O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	367305	""
"636878"	"636878"	"3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine"	"COc1c(nc2ccc(Oc3ccccc3)nn12)c4ccccc4"	0	""	""	2	1	367310	""
"636918"	"636918"	""	"COc1ccccc1\C=C\C(=O)c2ccccc2"	0	NA	NA	2	2	NA	""
"636934"	"636934"	""	"O=C(\C=C\c1ccc(cc1)C#N)c2ccccc2"	0	NA	NA	2	2	NA	""
"636948"	"636948"	""	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	2	2	NA	""
"636961"	"636961"	"1,3-Butanedione, 2-[(2-fluorophenyl)methylene]-1-phenyl-..."	"CC(=O)\C(=C\c1ccccc1F)\C(=O)c2ccccc2"	0	NA	NA	1	1	NA	""
"636968"	"636968"	"Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone"	"CC#N.[ClH-][Te+4]12([ClH-])([OH+][C@@H]3CCCC[C@@H]3[O-]1)[OH+][C@@H]4CCCC[C@@H]4[O-]2"	0	""	""	3	2	498869	""
"636969"	"636969"	"Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol"	"CC#N.[ClH-][Te+4]12([ClH-])([OH+][C@@H]3CCCC[C@H]3[O-]1)[OH+][C@@H]4CCCC[C@H]4[O-]2"	0	""	""	1	1	498871	""
"636979"	"636979"	"Altemicidin"	"CN1CC2C(CC(O)[C@@]2(NC(=O)CS(=O)(=O)N)C(=O)O)C(=C1)C(=O)N"	0	NA	NA	2	1	NA	""
"636984"	"636984"	"Neuro_000286"	"CC1=Nc2c(O)nc(S)nc2NC(C1)c3c(Cl)cccc3Cl"	0	""	""	3	2	3004220	""
"636986"	"636986"	"STL192071"	"Cc1ccc(C(=O)\C=C\c2ccccc2O)c(C)c1"	0	""	""	1	1	5805594	""
"636992"	"636992"	"4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide"	"Clc1cc(Cl)c2NS(=O)Sc2c1Cl"	0	""	""	1	1	367355	""
"636993"	"636993"	"5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide"	"Cc1cc(C)c2SS(=O)Nc2c1"	0	""	""	1	1	367356	""
"636997"	"636997"	"(E)-3-(2-Chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide"	"[O-][N+](=O)c1ccc2N=CC(CNc2c1)NC(=O)\C=C\c3ccccc3Cl"	0	""	""	1	1	6186725	""
"636998"	"636998"	"N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide"	"Cc1cc2NC(=O)C(NC(=O)\C=C\c3ccccc3)C=Nc2cc1C"	0	""	""	1	1	6080447	""
"637000"	"637000"	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine"	"CC1CC(=Nc2ccccc2S1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	367361	""
"637003"	"637003"	"Methyl 3-(benzylcarbamoyl)-2,4-dioxopentanoate"	"COC(=O)C(=O)C(C(=O)C)C(=O)NCc1ccccc1"	0	""	""	1	1	367364	""
"637006"	"637006"	"STL353617"	"Cc1cc(C)cc(NC(=S)N)c1"	0	""	""	1	1	736215	""
"637008"	"637008"	"ALBB-004405"	"Cc1nc(N)c(s1)c2ccccc2"	0	""	""	2	1	367369	""
"637009"	"637009"	"2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile"	"O=CC1(C#N)N(C=Cc2ccccc12)C(=O)c3ccccc3"	0	""	""	1	1	367370	""
"637037"	"637037"	"O-6-Benzylguanine"	"Nc1nc(OCc2ccccc2)c3nc[nH]c3n1"	0	"DDR|MGMT"	"Clinical trial"	3	1	4578	"19916735"
"637083"	"637083"	"N-[(E)-2-(1,3-Dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide"	"[O-][N+](=O)c1cccc(c1)S(=O)(=O)N\N=C\CN2C(=O)c3ccccc3C2=O"	0	""	""	1	1	9571275	""
"637124"	"637124"	"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido(3-propionamid..."	"Cn1cc(NC(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N"	0	NA	NA	3	3	NA	""
"637125"	"637125"	"2-[(Butanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	1	1	367399	""
"637126"	"637126"	"9-Methoxy-5,11-dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	367401	""
"637127"	"637127"	"2-[(Hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	367403	""
"637128"	"637128"	"2-[(Heptanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1"	0	""	""	2	2	367405	""
"637129"	"637129"	"2-[(Butanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	367407	""
"637130"	"637130"	"5,11-Dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	2	2	367409	""
"637131"	"637131"	"2-[(Hexanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	367411	""
"637132"	"637132"	"2-[(Heptanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1"	0	""	""	1	1	367413	""
"637140"	"637140"	"9-N-(N'-bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxy a..."	"COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1"	0	NA	NA	3	3	NA	""
"637153"	"637153"	"DNDI1417400"	"CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC"	0	""	""	2	2	367432	""
"637186"	"637186"	""	"Clc1ccc(OC(=N)NNS(=O)(=O)c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"637198"	"637198"	"[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury"	"COc1c(Cl)c([Hg]OC(=O)C)c(NCC(=O)C)c(OC)c1[Hg]OC(=O)C"	0	""	""	1	1	16683869	""
"637200"	"637200"	"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide"	"CC1CC(=Nc2ccccc2S1(=O)=O)c3ccccc3"	0	""	""	1	1	367468	""
"637202"	"637202"	"1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nc(Cl)cc(Cl)n2"	0	""	""	1	1	367470	""
"637206"	"637206"	"Tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti..."	"CC1=[O][Ti+3]23([Cl-][Ti+3]45([Cl-]2)([O]=C(C)CC(=[O]4)c6ccccc6)[O]=C(C)CC(=[O]5)c7ccccc7)([O]=C(C)CC(=[O]3)c8ccccc8)[O]=C(C1)c9ccccc9"	0	NA	NA	1	1	NA	""
"637207"	"637207"	"cis-Dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccc(OC)cc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccc(OC)cc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"637209"	"637209"	"Dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat..."	"[O-][N+](=O)c1ccc(cc1)C2=O[Ti+4]3([ClH-])([ClH-])(O=C([CH-]C(=O3)c4ccc(cc4)[N+](=O)[O-])c5ccccc5)O=C([CH-]2)c6ccccc6"	0	NA	NA	3	2	NA	""
"637212"	"637212"	"cis-Dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium..."	"[Cl-][Ti+4]12([Cl-])([O]=C(C)CC(=[O]1)c3c[nH]c4ccccc34)[O]=C(C)CC(=[O]2)c5c[nH]c6ccccc56"	0	NA	NA	1	1	NA	""
"637214"	"637214"	"cis-Dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3ccc(OC)cc3)c4ccc(OC)cc4)[O]=C(CC(=[O]2)c5ccc(OC)cc5)c6ccc(OC)cc6"	0	NA	NA	2	2	NA	""
"637219"	"637219"	"cis-Bis(1,4-dihydroxybenzolato-O1)bis(1-phenylbutane-1,3..."	"CC1=[O][Ti+4]2([O]=C(C)CC(=[O]2)c3ccccc3)([O]=C(C1)c4ccccc4)([O-]c5ccc(O)cc5)[O-]c6ccc(O)cc6"	0	""	""	1	1	11979329	""
"637220"	"637220"	"cis-Difluorobis(1-phenylhexane-1,3-dionato)titanium(IV)"	"[F-][Ti+4]12([F-])([O]=C(CCC)CC(=[O]1)c3ccccc3)[O]=C(CCC)CC(=[O]2)c4ccccc4"	0	NA	NA	1	1	NA	""
"637309"	"637309"	""	"CCOC(=O)\C(=C/c1ccc(cc1)C#N)\C(=O)C"	0	NA	NA	1	1	NA	""
"637387"	"637387"	"Polycarpol"	"CC(CCC=C(C)C)[C@H]1CC(O)C2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C"	0	""	""	1	1	367561	""
"637399"	"637399"	"Methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate"	"COC(=O)[C@]12C(COC(=O)C)C=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4C3[C@H]1C(=O)C=CC2=O"	0	""	""	3	1	367566	""
"637404"	"637404"	"Quinoxaline-3,5-diamine, 7-(trifluoromethyl)- N(3)-(3,4,..."	"COc1cc(Nc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	4	3	367570	""
"637410"	"637410"	"2-Quinoxalineamine, N-(3,4-dichlorophenyl)-3-phenyl-6- t..."	"FC(F)(F)c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(nc2c1)c4ccccc4"	0	""	""	1	1	367577	""
"637411"	"637411"	"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine"	"COc1cc(Nc2cnc3ccc(cc3n2)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	367578	""
"637414"	"637414"	"N-Benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine"	"FC(F)(F)c1ccc2nc(NCc3ccccc3)c(nc2c1)c4ccccc4"	0	""	""	1	1	367581	""
"637415"	"637415"	"N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine"	"COc1ccc(CNc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	367582	""
"637422"	"637422"	"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile"	"Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C#N)c1C"	0	""	""	2	1	367590	""
"637436"	"637436"	"Naphthalene-1,4-dione, 2-chloro-3-[1-cyano-2-oxo-2- [[[6..."	"Cc1cccc(c1NC(=O)C(C#N)C2=C(Cl)C(=O)c3ccccc3C2=O)C(C)(C)C"	0	""	""	3	2	367604	""
"637438"	"637438"	"Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate"	"CCCCNC1=C(C(=O)OCC)\C(=N\NC(=O)c2ccccc2O)\CO1"	0	""	""	1	1	135483944	""
"637441"	"637441"	"Ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate"	"CCOC(=O)C1=C(Nc2ccc(Br)cc2)OC/C/1=N\NC(=O)c3ccccc3O"	0	""	""	2	2	135483945	""
"637443"	"637443"	""	"CCOC(=O)C1=C(NC)OC/C/1=N\NC(=O)c2ccccc2O"	0	NA	NA	1	1	NA	""
"637447"	"637447"	"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide"	"ClC1=C(C(C#N)C(=O)Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	367615	""
"637458"	"637458"	"Rubescensin A (Oridonin) [Rabdosia diterpenoid]"	"CC1(C)CCC(O)C23CO[C@](O)([C@@H](O)C12)C45C(O)C(CCC34)C(=C)C5=O"	0	""	""	2	2	5459168	""
"637459"	"637459"	"Macrocalyxoformin B (Rabdosia diterpenoids)"	"CC12CC[C@@H]3OC(=O)C45CC(CCC4C36CO[C@H](OC1)C26)C(=C)C5=O"	0	""	""	2	2	367617	""
"637460"	"637460"	"Excisanin B"	"CC(=O)OC1CC2C3(C)C(O)CCC(C)(C)C3CC(O)C24[C@H](O)C1C(=C)C4=O"	0	""	""	2	2	367618	""
"637461"	"637461"	"Jiuhuanin B"	"CC(=O)OC1CC2C3(C)C(CCC(C)(C)C3C[C@H](OC(=O)C)C24[C@@H](OC(=O)C)C1C(=C)C4=O)OC(=O)C"	0	""	""	1	1	367619	""
"637462"	"637462"	"Eriocalyxin B"	"CC1(C)C=CC(=O)C23CO[C@@](O)([C@@H](O)C12)C45CC(CCC34)C(=C)C5=O"	0	""	""	2	2	367620	""
"637467"	"637467"	"Disulfide, bis[2-amino-4-(4-methoxyphenyl)-1-methyl- 1H-..."	"COc1ccc(cc1)c2nc(N)n(C)c2SSc3c(nc(N)n3C)c4ccc(OC)cc4"	0	""	""	4	2	367621	""
"637469"	"637469"	"Eupalmerin acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@@H]1OC(=O)C)\C"	0	""	""	2	1	5459169	""
"637505"	"637505"	"2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]"	"CCOC(=O)NC(=O)C1=CN(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC(=O)OCC)C(=O)N(C)C2=O)C(=O)N(C)C1=O"	0	""	""	1	1	367630	""
"637507"	"637507"	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate"	"O=C(NC1=Nc2ncn(CCOC(=O)c3ccccc3)c2C(=O)N1)c4ccccc4"	0	""	""	2	2	135501538	""
"637516"	"637516"	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate"	"CS(=O)(=O)OCCn1cnc2N=C(NC(=O)c3ccccc3)NC(=O)c12"	0	""	""	1	1	135503473	""
"637528"	"637528"	""	"OCC1OC(C(O)C1O)n2cnc3C(=O)NC(=Nc23)NC(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"637535"	"637535"	"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate"	"O=C(NC1=Nc2ncn(CC(COc3ccccc3)OC(=O)c4ccccc4)c2C(=O)N1)c5ccccc5"	0	""	""	1	1	135430117	""
"637578"	"637578"	"antineoplastic-637578"	"N=C(Nc1nc(cc2ccccc12)c3ccccn3)c4ccccn4"	0	""	""	6	3	463108	"118112100"
"637603"	"637603"	"2H-1,4-Benzothiazin-3-one, 3,4-dihydro-2-[2-[(2,5-dimeth..."	"Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1"	0	NA	NA	4	2	NA	""
"637614"	"637614"	"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3ccc4OCOc4c3)C(=O)Nc5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	367683	""
"637621"	"637621"	"Cambridge id 5757267"	"Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)c(C)c1"	0	""	""	1	1	367690	""
"637627"	"637627"	"N3,N5-Bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4ccc(Cl)c(Cl)c4"	0	""	""	2	2	367696	""
"637628"	"637628"	"N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2cccc(Cl)c2)c3ccccc3F)C(=O)Nc4cccc(Cl)c4"	0	""	""	1	1	367697	""
"637629"	"637629"	""	"C\C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(CC(C(=O)NCc2ccccc2)\C(=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C)C(=O)NCc4ccccc4"	0	NA	NA	1	1	NA	""
"637631"	"637631"	"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3cc(F)c(F)cc3F)C)C(=O)Nc4cc(F)c(F)cc4F"	0	""	""	2	2	367700	""
"637632"	"637632"	"3-N,5-N-Bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CCc1cccc(C)c1NC(=O)C2=C(C)NC(=C(C2c3ccc(cc3)[N+](=O)[O-])C(=O)Nc4c(C)cccc4CC)C"	0	""	""	1	1	367701	""
"637633"	"637633"	"3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccccc4OCC)C"	0	""	""	1	1	367702	""
"637651"	"637651"	"ellipticine"	"COc1ccc2[nH]c3c(C)c4C=CN(C)Cc4c(C)c3c2c1"	0	"TOP2"	""	8	8	367719	""
"637652"	"637652"	"Nickel meso formyl etioporphyrin"	"CCC1=C(C)C2=CC3=[N+]4C(=C(C=O)c5[nH-]6c(C=C7C(=C(C)C8=[N+]7[Ni+2]46[NH-]2C1=C8)CC)c(C)c5CC)C(=C3CC)C"	0	NA	NA	1	1	NA	""
"637659"	"637659"	"4,7-Diphenyl-1,10-phenanthroline"	"c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5ccccc5"	0	""	""	1	1	72812	"1662017"
"637675"	"637675"	"2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide"	"Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc3cccc4C(=O)NNC(=O)c34"	0	""	""	1	1	367736	""
"637676"	"637676"	"2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide"	"Cc1nc(Nc2ccccc2)sc1C(=O)NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	3837233	""
"637681"	"637681"	"3-N,5-N-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccc(NC(=O)C2=C(C)NC(=C(C2c3ccc(O)c(OC)c3)C(=O)Nc4ccc(OCC)cc4)C)cc1"	0	""	""	1	1	367742	""
"637691"	"637691"	"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide"	"Cc1ccccc1NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-]"	0	""	""	1	1	367752	""
"637692"	"637692"	"Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate"	"CCOC(=O)C1=C(Nc2cccc3ccccc23)OC/C/1=N\NC(=O)c4ccccc4O"	0	""	""	2	2	135483950	""
"637693"	"637693"	"Ethanedioic acid, mono(4,9-dihydro-4,9-dioxonaphtho[2,3-..."	"CCOC(=O)C(=O)NNc1nc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	3	2	367754	""
"637702"	"637702"	"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CCOc1ccccc1NC(=O)C2=C(C)NC(=C(C2c3ccc4OCOc4c3)C(=O)Nc5ccccc5OCC)C"	0	""	""	1	1	367763	""
"637703"	"637703"	"2,6-Dimethyl-4-(3-nitrophenyl)-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-])C(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	367764	""
"637706"	"637706"	"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"CN(C)c1ccc(cc1)C2C(=C(C)NC(=C2C(=O)Nc3ccc(cc3)[N+](=O)[O-])C)C(=O)Nc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	367767	""
"637713"	"637713"	"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide"	"COc1cc(ccc1O)C2C(=C(C)NC(=C2C(=O)Nc3cc(F)c(F)cc3F)C)C(=O)Nc4cc(F)c(F)cc4F"	0	""	""	1	1	367774	""
"637715"	"637715"	"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide"	"CC1=C(C(C(=C(C)N1)C(=O)Nc2c(C)cccc2C)c3ccc4OCOc4c3)C(=O)Nc5c(C)cccc5C"	0	""	""	1	1	367776	""
"637719"	"637719"	"3H-Anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro- ..."	"CC1=Nc2c(NC(C1)c3cccc4CCCc34)ccc5C(=O)c6ccccc6C(=O)c25"	0	""	""	2	2	367780	""
"637726"	"637726"	"4-(2-Benzoylanilino)-1,2-naphthalenedione"	"O=C(c1ccccc1)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	1	1	367785	""
"637728"	"637728"	"4-(2,6-Diethylanilino)-1,2-naphthalenedione"	"CCc1cccc(CC)c1NC2=CC(=O)C(=O)c3ccccc23"	0	""	""	1	1	367786	""
"637729"	"637729"	"Naphthalene-1,2-dione, 1,2-dihydro-4-[(3-pyridinyl)amino]-"	"O=C1C=C(Nc2cccnc2)c3ccccc3C1=O"	0	""	""	6	3	367787	""
"637731"	"637731"	"Naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)am..."	"O=C1C=C(NCCc2ccccc2)c3ccccc3C1=O"	0	""	""	4	4	367789	""
"637732"	"637732"	"1,2-Naphthalenedione, 4-[(4-ethoxyphenyl)amino]-"	"CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1"	0	""	""	3	2	367790	"75140066"
"637801"	"637801"	"Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanola..."	"CC1=[O][Ti+4]2([O]=C(C)CC(=[O]2)c3ccccc3)([O]=C(C1)c4ccccc4)([O-]Cc5cccs5)[O-]Cc6cccs6"	0	""	""	1	1	367795	""
"637810"	"637810"	"Sodium[(tetratropolonato)bismuthate(III)]"	"[Na+].O=C1C=CC=CC=C1[O-][Bi+3]23(O=C4C=CC=CC=C4[O-]2)(O=C5C=CC=CC=C5[O-]3)[O-]C6=CC=CC=CC6=O"	0	NA	NA	2	2	NA	""
"637816"	"637816"	"cis-Dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro..."	"[Cl-][Ti+4]12([Cl-])([O]=C(CC(=[O]1)c3cccnc3)c4ccccc4)[O]=C(CC(=[O]2)c5cccnc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"637818"	"637818"	""	"CCN(CC)CCCC(C)Nc1c(Sc2cnc3cc(Cl)ccc3c2NC(C)CCCN(CC)CC)cnc4cc(Cl)ccc14"	0	NA	NA	1	1	NA	""
"637825"	"637825"	""	"[Na+].CS(=O[Ru+3]([ClH-])([ClH-])([ClH-])([ClH-])[n+]1cc2ccccc2[nH]1)C"	0	NA	NA	1	1	NA	""
"637827"	"637827"	"F919POH697"	"C=C1CC2(OC1=O)c3ccccc3CCc4ccccc24"	0	""	""	3	3	179617	""
"637828"	"637828"	"Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(3'H)-furan]-5'-on..."	"C=C1CC2(OC1=O)c3ccccc3C=Cc4ccccc24"	0	""	""	4	2	179616	""
"637829"	"637829"	""	"O=C1OC(CC1CN2CCOCC2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"637907"	"637907"	"Cancell"	""	0	NA	NA	2	1	NA	""
"637911"	"637911"	"[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-"	"COc1ccc2c(c1)c3CCCC4=NNCCn2c34"	0	""	""	2	1	367836	""
"637919"	"637919"	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"Cc1ccccc1N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	1	1	5884855	""
"637920"	"637920"	"N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Cc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	367845	""
"637921"	"637921"	"1H-Pyrazole-1-propanamide, 3,5-diphenyl- N-(4-methoxyphe..."	"COc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccc(C)cc4)c2c5ccccc5)cc1"	0	""	""	4	2	367846	""
"637991"	"637991"	"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[2-(dimethylamino)..."	"CN(C)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	367847	""
"637992"	"637992"	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	1	1	367848	""
"637993"	"637993"	"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) e..."	"CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4C(=O)c1c23"	0	""	""	2	2	367849	""
"637994"	"637994"	"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[3-(diethylamino) ..."	"CCN(CC)CCCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	367851	""
"638027"	"638027"	"(18-Methyl-3,14-dioxo-20-prop-1-en-2-yl-2,15-diazapentacyclo[14.2.2.02,15.04,13.06,11]icosa-4,6,8,10,12,17-hexaen-17-yl) acetate"	"CC(=O)OC1=C(C)C2CC(C1N3N2C(=O)c4cc5ccccc5cc4C3=O)C(=C)C"	0	""	""	2	1	367860	""
"638033"	"638033"	"2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)c3csc(Nc4ccccc4)n3"	0	""	""	2	2	367867	""
"638034"	"638034"	"4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole"	"Cc1ccc(Nc2nc(cs2)c3oc(cc3)c4ccc(cc4)[N+](=O)[O-])cc1"	0	""	""	1	1	367868	""
"638035"	"638035"	"STL016940"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)c3csc(Nc4ccccn4)n3"	0	""	""	1	1	367869	""
"638036"	"638036"	"2-(2-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	"Cc1ccc(cc1)C2(O)CC(=NN2C(=O)COc3ccccc3Cl)c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	367870	""
"638037"	"638037"	"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone"	"Cc1ccc(cc1)C2(O)CC(=NN2C(=O)COc3ccc(Cl)cc3)c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	367871	""
"638038"	"638038"	"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitrofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone"	"OC1(CC(=NN1C(=O)COc2ccc(Cl)cc2)c3oc(cc3)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	367872	""
"638042"	"638042"	"1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol"	"OC1(CC(=NN1C(=O)COc2ccc(Cl)cc2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	2	1	367876	""
"638050"	"638050"	"3-(4-Chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione"	"[O-][N+](=O)c1ccc(cc1)c2oc(\C=N\n3c(S)nnc3c4ccc(Cl)cc4)cc2"	0	""	""	2	1	9570063	""
"638066"	"638066"	"2-n-methyl-6-thiaellipticinum iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4ccccc4sc13"	0	"TOP2"	""	5	4	367888	""
"638067"	"638067"	"Benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate"	"CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c2cc3ccccc3[nH]2"	0	""	""	1	1	367890	""
"638068"	"638068"	"Benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate"	"CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c2cc3ccccc3[nH]2"	0	""	""	1	1	367891	""
"638069"	"638069"	"A-64718"	"CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1"	0	""	""	1	1	367892	""
"638075"	"638075"	"(E)-2-Cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide"	"NC(=O)\C(=C\c1cccc(O)c1O)\C#N"	0	""	""	1	1	5388677	""
"638077"	"638077"	""	"NC(=O)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	NA	NA	1	1	NA	""
"638080"	"638080"	"(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide"	"NC(=O)\C(=C\c1cc(O)c(O)c(O)c1)\C#N"	0	""	""	3	1	5388680	""
"638083"	"638083"	"Tyrphostin 47"	"NC(=S)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	""	""	2	1	667601	""
"638128"	"638128"	"methoxycoumarin"	"COC1=Cc2ccccc2OC1=O"	0	""	""	1	1	367929	""
"638156"	"638156"	"malonic acid, p-phenylbenzylidene- (6ci)"	"OC(=O)C(=Cc1ccc(cc1)c2ccccc2)C(=O)O"	0	NA	NA	2	2	NA	"6287941"
"638198"	"638198"	"5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile"	"COc1ccc(Nc2nc(C#N)c(N)s2)cc1"	0	""	""	1	1	367980	""
"638199"	"638199"	"5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile"	"Nc1sc(Nc2ccc(Cl)cc2)nc1C#N"	0	""	""	2	2	367981	""
"638200"	"638200"	"8F-900"	"Nc1sc(Nc2ccc(cc2)[N+](=O)[O-])nc1C#N"	0	""	""	2	1	3769282	""
"638201"	"638201"	"5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile"	"Nc1sc(Nc2cccc3ccccc23)nc1C#N"	0	""	""	1	1	367983	""
"638202"	"638202"	"N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine"	"Nc1ncnc2sc(Nc3ccccc3)nc12"	0	""	""	1	1	367984	""
"638220"	"638220"	"N'-[(E)-[4-[2-Cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide"	"COc1ccc(NC(=O)CC(=O)N\N=C\c2ccc(cc2)N(CCC#N)S(=O)(=O)C)cc1"	0	""	""	1	1	9555827	""
"638224"	"638224"	""	"NNC(=O)\C(=C/c1ccc(cc1)N(CCC#N)CCC#N)\NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"638241"	"638241"	"2-[Bis(2-chloroethyl)amino]-3-methyl-2-oxido-1,3,2-oxazaphosphinan-4-yl diethylcarbamodithioate"	"CCN(CC)C(=S)SC1CCOP(=O)(N(CCCl)CCCl)N1C"	0	""	""	3	2	368012	""
"638260"	"638260"	"Visoltricin"	"COC(=O)\C=C\c1c(CC=C(C)C)ncn1C"	0	""	""	2	2	5388713	""
"638263"	"638263"	"Alternariol"	"Cc1cc(O)cc2OC(=O)c3c(O)cc(O)cc3c12"	0	""	""	1	1	5359485	""
"638265"	"638265"	""	"COc1cccc2C=[N+]3[N-]C(=O[Ni+2]3([OH2+])[O-]c12)N"	0	NA	NA	2	2	NA	""
"638267"	"638267"	""	"COc1cccc2C=[N+]3[N-]C(=O[Zn+2]3([OH2+])[O-]c12)N"	0	NA	NA	1	1	NA	""
"638272"	"638272"	""	"COc1cccc2C=[O][Cu+2]3([O]=Cc4cccc(OC)c4[O-]3)[O-]c12"	0	NA	NA	1	1	NA	""
"638278"	"638278"	"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]3([OH2+])[O-]c12)Nc4ccccc4"	0	""	""	1	1	135484825	""
"638279"	"638279"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]3([OH2+])[O-]c12)N"	0	""	""	3	3	135484826	""
"638280"	"638280"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc"	"COc1cccc2C=[N+]3[N-]C(=S[Zn+2]3([OH2+])[O-]c12)N"	0	""	""	2	2	135484827	""
"638282"	"638282"	""	"COc1cccc2C=[N+]3NC(=S[Pd+2]3([ClH-])[O-]c12)N"	0	NA	NA	1	1	NA	""
"638287"	"638287"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]3([O-]c12)[n+]4ccccc4)N"	0	""	""	2	1	135484832	""
"638294"	"638294"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Pd+2]3([OH2+])([O-]c12)[n+]4ccccc4)N"	0	""	""	1	1	135484837	""
"638300"	"638300"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	""	""	2	2	135484843	""
"638302"	"638302"	"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([OH2+])([O-]c12)[n+]5ccccc5c6cccc[n+]46)N"	0	""	""	2	2	135484845	""
"638303"	"638303"	""	"COc1cccc2C=[N+]3[N-]C(=O[Cu+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	NA	NA	1	1	NA	""
"638304"	"638304"	"Copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h..."	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([OH2+])([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)N"	0	NA	NA	5	3	NA	""
"638305"	"638305"	"1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Ni+2]34([O-]c12)[n+]5ccccc5c6cccc[n+]46)Nc7ccccc7"	0	""	""	1	1	135484847	""
"638307"	"638307"	"[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine"	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([O-]c12)[n+]5ccccc5c6cccc[n+]46)Nc7ccccc7"	0	""	""	1	1	135484849	""
"638308"	"638308"	""	"COc1cccc2C=[N+]3[N-]C(=S[Cu+2]34([O-]c12)[n+]5cccc6ccc7ccc[n+]4c7c56)Nc8ccccc8"	0	NA	NA	2	1	NA	""
"638309"	"638309"	""	"COc1cccc2C=[N+]3[N-]C(=O[Mn+2]3([OH2+])[O-]c12)c4ccncc4"	0	NA	NA	1	1	NA	""
"638315"	"638315"	""	"COc1cccc2C=[N+]3[N-]C(=O[U+4]345(=O)(=O)([OH2+])([OH2+])(O=C([N-][N+]4=Cc6cccc(OC)c6[O-]5)c7ccncc7)[O-]c12)c8ccncc8"	0	NA	NA	2	2	NA	""
"638366"	"638366"	"Dichlorobis(3-phenylpentane-2,4-dionato)hafnium(IV)"	"[Cl-][Hf+4]12([Cl-])([O]=C(C)C(C(=[O]1)C)c3ccccc3)[O]=C(C)C(C(=[O]2)C)c4ccccc4"	0	NA	NA	1	1	NA	""
"638371"	"638371"	"cis-Chloro[1,3,5-benzoletricarboxylato(1-)-O-]bis(1-phen..."	"CC1=O[Ti+4]2([ClH-])(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)[O-]C(=O)c5cc(cc(c5)C(=O)[O-])C(=O)[O-]"	0	NA	NA	1	1	NA	""
"638373"	"638373"	"Chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi..."	"[Cl-][Ti+4]12([O]=C(C)CC(=[O]1)c3ccccc3)([O]=C(C)CC(=[O]2)c4ccccc4)[O-]C(=O)C5CCCCC5"	0	NA	NA	1	1	NA	""
"638375"	"638375"	"cis-Benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu..."	"[Cl-][Ti+4]12([O]=C(C)CC(=[O]1)c3ccccc3)([O]=C(C)CC(=[O]2)c4ccccc4)[O-]C(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"638383"	"638383"	"Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O]=C3C(=CC(=O)c4ccccc34)[O-]1)([O]=C5C(=CC(=O)c6ccccc56)[O-]2)[O-]C(C)C"	0	""	""	2	2	368058	""
"638385"	"638385"	"Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3- d..."	"CC1=O[Ti+4]2(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)([O-]C(C(=O)[O-])(c5ccccc5)c6ccccc6)[O-]C(C(=O)[O-])(c7ccccc7)c8ccccc8"	0	""	""	1	1	24202319	""
"638388"	"638388"	"2-Methoxy-4-(3,4,5-trimethoxybenzyl)phenol"	"COc1cc(Cc2cc(OC)c(OC)c(OC)c2)ccc1O"	0	""	""	1	1	368064	""
"638389"	"638389"	""	""	0	NA	NA	2	2	NA	""
"638390"	"638390"	"(Z) 2',3,4,5-Tetramethoxystilbene"	"COc1ccccc1\C=C/c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	5388740	""
"638391"	"638391"	"2',3,4,5-Tetramethoxybibenzyl"	"COc1ccccc1CCc2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	368066	""
"638403"	"638403"	"(E)3,4,5-Trimethoxy-4'-(1-propoxy)stilbene"	"CCCOc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	5388748	""
"638404"	"638404"	"(Z)3,4,5-Trimethoxy-4'-ethoxystilbene"	"CCOc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	5388749	""
"638407"	"638407"	"(E)Methyl-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)..."	"COC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	4	5388752	""
"638408"	"638408"	"(E) (2-Diethylaminoethyl)-3-(4-methoxyphenyl)-2-(3,4,5- ..."	"CCN(CC)CCOC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	5388753	""
"638409"	"638409"	"(E)N-Ethyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxypheny..."	"CCNC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	3	5388754	""
"638410"	"638410"	"(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphen..."	"CNC(=O)\C(=C\c1ccc(OC)cc1)\c2cc(OC)c(OC)c(OC)c2"	0	""	""	5	4	5388755	""
"638411"	"638411"	"(Z)3,4,5-Trimethoxystilbene"	"COc1cc(\C=C/c2ccccc2)cc(OC)c1OC"	0	""	""	2	2	5388756	""
"638432"	"638432"	"Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 5,13-dihydro-1..."	"CN(C)CCCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14"	0	NA	NA	4	2	NA	""
"638433"	"638433"	""	"CN(C)CCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14"	0	NA	NA	1	1	NA	""
"638434"	"638434"	""	"O=C1Oc2c(c3ccccc13)n(CCN4CCCCC4)c5c2ccc6ccccc56"	0	NA	NA	2	2	NA	""
"638435"	"638435"	""	"O=C1Oc2c(c3ccccc13)n(CCCN4CCCCC4)c5c2ccc6ccccc56"	0	NA	NA	1	1	NA	""
"638436"	"638436"	""	"O=C1Oc2c(c3ccccc13)n(CCN4CCOCC4)c5c2ccc6ccccc56"	0	NA	NA	1	1	NA	""
"638438"	"638438"	""	"CC(C)N(CCn1c2c(OC(=O)c3ccccc23)c4ccc5ccccc5c14)C(C)C"	0	NA	NA	2	1	NA	""
"638441"	"638441"	""	"O=C1Oc2c(c3ccccc13)n(Cc4nc5ccccc5[nH]4)c6c2ccc7ccccc67"	0	NA	NA	2	2	NA	""
"638462"	"638462"	"Methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate"	"COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)c(C#C)c(C)n1C"	0	""	""	1	1	5388757	""
"638478"	"638478"	"Inostamycin"	"CCCC(O)[C@@]1(CC)CC(C)C(O)(O1)C2(C)C[C@H](C)[C@H](O2)C(CC)C(=O)C(C)[C@@H](O)[C@H](C)C3OC(O)(C(CC)C(=O)O)[C@@H](C)C(O)C3CC"	0	NA	NA	3	3	NA	""
"638479"	"638479"	"ANTINEOPLASTIC-638479"	"COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	368136	""
"638480"	"638480"	"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanonit..."	"COc1ccc(cc1)C(Cc2cc(OC)c(OC)c(OC)c2)C#N"	0	""	""	1	1	368137	""
"638483"	"638483"	"(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol"	"COc1ccc(cc1)C(O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	368140	""
"638484"	"638484"	"(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methane"	"COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	6	5	368141	""
"638485"	"638485"	"(Z)3,4,5-Trimethoxy-4'-methylstilbene"	"COc1cc(\C=C/c2ccc(C)cc2)cc(OC)c1OC"	0	""	""	5	2	5388767	""
"638486"	"638486"	"(Z) 4-Bromo-3',4',5'-Trimethoxystilbene"	"COc1cc(\C=C/c2ccc(Br)cc2)cc(OC)c1OC"	0	""	""	2	2	5388768	""
"638487"	"638487"	"(Z) 4-Acetoxy-(3,4',5)-trimethoxystilbene"	"COc1ccc(\C=C/c2cc(OC)c(OC(=O)C)c(OC)c2)cc1"	0	""	""	1	1	5388769	""
"638488"	"638488"	"(Z) 4-Chloro-3',4',5'-trimethoxystilbene"	"COc1cc(\C=C/c2ccc(Cl)cc2)cc(OC)c1OC"	0	""	""	2	2	5388770	""
"638491"	"638491"	"(E) 4-.tert.Butyldimethylsilyloxy-3,4',5-trimethoxystilbene"	"COc1ccc(\C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1"	0	""	""	1	1	5388773	""
"638492"	"638492"	"(Z) 3,3',4,5-Tetramethoxystilbene"	"COc1cccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c1"	0	""	""	1	1	5388774	""
"638493"	"638493"	"(E) 4-Acetoxy-3,4',5-trimethoxystilbene"	"COc1ccc(\C=C\c2cc(OC)c(OC(=O)C)c(OC)c2)cc1"	0	""	""	1	1	5388775	""
"638494"	"638494"	"(E) 3,4,5-Trimethoxy-4'-methylstilbene"	"COc1cc(\C=C\c2ccc(C)cc2)cc(OC)c1OC"	0	""	""	3	1	5388776	""
"638497"	"638497"	"(Z) 4-Acetoxy-3',4',5'-trimethoxystilbene"	"COc1cc(\C=C/c2ccc(OC(=O)C)cc2)cc(OC)c1OC"	0	""	""	1	1	5388778	""
"638498"	"638498"	"3,4,4',5-Tetramethoxybenzophenone"	"COc1ccc(cc1)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	4	2	368149	""
"638499"	"638499"	"(Z) 3,4,4',5-Tetramethoxystilbene"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	5388779	""
"638534"	"638534"	"Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxo- m..."	"Cc1occc1C(=S)Nc2ccc(Cl)c(c2)C(=O)OCC3CC3"	0	""	""	1	1	3000930	""
"638623"	"638623"	"(Z)-3-(2,6-dichlorophenyl)-2-phenyl-prop-2-enenitrile"	"Clc1cccc(Cl)c1\C=C(/C#N)\c2ccccc2"	0	""	""	2	2	5388794	""
"638624"	"638624"	"3-(2-Methoxyphenyl)-2-phenylacrylonitrile"	"COc1ccccc1\C=C(/C#N)\c2ccccc2"	0	""	""	1	1	5388795	""
"638632"	"638632"	"J3.537.385C"	"N#C\C(=C/c1cc2ccccc2c3ccccc13)\c4ccccc4"	0	""	""	2	2	5388799	""
"638634"	"638634"	"4-Piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phen..."	"O=C(\C=C\c1ccccc1)N2C\C(=C/c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	3	3	NA	""
"638635"	"638635"	"Propyl-1-aminium, 3-[3,5-bis(phenylmethylene)-4-oxo- pip..."	"C[N+](C)(C)CCC(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	""	""	3	3	5388801	""
"638636"	"638636"	"LS-16948"	"CC(=O)CC[N+](C)(C)C"	0	""	""	7	5	35720	""
"638643"	"638643"	"3-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]-"	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)cc1Cl"	0	NA	NA	3	2	NA	""
"638644"	"638644"	""	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)C(=O)C=C)cc1Cl"	0	NA	NA	1	1	NA	""
"638645"	"638645"	""	"CN(C)CCC(=O)N1C\C(=C/c2ccc(Cl)c(Cl)c2)\C(=O)\C(=C\c3ccc(Cl)c(Cl)c3)\C1"	0	NA	NA	4	4	NA	""
"638646"	"638646"	"7-Hydroxystaurosporine"	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)c(Cl)c3)\C2=O)C(=O)CCN4CCOCC4)cc1Cl"	0	"PK:STK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	3	2	NA	""
"638718"	"638718"	"Ecteinascidin 729"	"COc1cc2c(CCN[C@@]23CS[C@@H]4C5C6NC(Cc7cc(C)c(OC)c(O)c67)[C@H](O)N5C(COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O"	0	NA	NA	3	1	NA	""
"638725"	"638725"	"1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylic acid"	"NC(=O)NC1C(N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O"	0	""	""	1	1	368269	""
"638728"	"638728"	"1,2-Diamino-cyclohexane-Pt-SeO3"	"O=[Se]1[O-][Pt+2]2(NC3CCCCC3N2)[O-]1"	0	NA	NA	2	2	NA	""
"638736"	"638736"	"Chlorotris(chinoline-8-olato)titanium(IV)-trihydrochloride"	"[Cl-].[ClH-][Ti+4]12([O-]c3cccc4cccnc34)([O-]c5cccc6ccc[n+]1c56)[O-]c7cccc8ccc[n+]2c78"	0	NA	NA	3	2	NA	""
"638737"	"638737"	"Diisopropoxybis(chinoline-8-olato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O-]C(C)C)([O-]c3cccc4ccc[n+]1c34)[O-]c5cccc6ccc[n+]2c56"	0	""	""	2	2	24202322	""
"638738"	"638738"	"Diisopropoxybis(tropolonato)titanium(IV)"	"CC(C)[O-][Ti+4]12([O]=C3C=CC=CC=C3[O-]1)([O]=C4C=CC=CC=C4[O-]2)[O-]C(C)C"	0	""	""	1	1	368274	""
"638748"	"638748"	"Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride"	"c1cnc2c(cccc2c1)[O-][Ti+4]([O-]c3cccc4cccnc34)([O-]c5cccc6cccnc56)[O-]c7cccc8cccnc78"	0	""	""	3	2	368279	""
"638752"	"638752"	"Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)"	"CC[O-][Ti+4]([O-]CC)([O-]c1ccc2cc(ccc2c1)N=O)[O-]c3ccc4cc(ccc4c3)N=O"	0	""	""	2	1	368283	""
"638753"	"638753"	"Dichlorobis(N,N-dimethyl-5-amino-2-nitroso-phenolato) ti..."	"[Cl-][Ti+4]([Cl-])([O-]c1cc(ccc1N=O)N(C)C)[O-]c2cc(ccc2N=O)N(C)C"	0	NA	NA	1	1	NA	""
"638788"	"638788"	"2-N-Methyl-6-oxaellipticinium acetate"	"Cc1c2oc3ccccc3c2c(C)c4c[n+](C)ccc14"	0	""	""	3	3	10018975	""
"638834"	"638834"	"Nitratobis(pyridinethiosemicarbazone-S,N1)bismuth(III)"	"NC1=S[Bi+3]234(S=C(N)[N-][N+]2=Cc5cccc[n+]35)[N+](=Cc6cccc[n+]46)[N-]1.[O-][N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"638842"	"638842"	"Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)"	"CC[O-][Ti+4]12([O]=C3C(=CC(=O)c4ccccc34)[O-]1)([O]=C5C(=CC(=O)c6ccccc56)[O-]2)[O-]CC"	0	""	""	2	2	368297	""
"638844"	"638844"	"Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)"	"CC[O-][Ti+4]12([O-]c3cccc4ccc(C)nc34)([O-]c5cccc6ccc(C)[n+]1c56)[O-]c7cccc8ccc(C)[n+]2c78"	0	""	""	2	2	24202327	""
"638850"	"638850"	"7-Hydroxystaurosporine"	"CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@@H](O)NC(=O)c6c7c8ccccc8n2c7c35"	0	"PK:STK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	4	2	72271	"112953114"
"638855"	"638855"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	3	2	368307	""
"638856"	"638856"	""	"CCCCCCCCCCCCCCCC(=O)OCC1OC(C(NC(=O)N(CCCl)N=O)C(O)C1O)N2C=C(F)C(=O)NC2=O"	0	NA	NA	2	2	NA	""
"639015"	"639015"	""	"NCCCN(CCCN)CCCNCc1c2ccccc2c(CNCCCN(CCCN)CCCN)c3ccccc13"	0	NA	NA	1	1	NA	""
"639016"	"639016"	""	"NCCNCc1c2ccccc2c(CNCCN)c3ccccc13"	0	NA	NA	1	1	NA	""
"639094"	"639094"	"Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] ..."	"O=C1C2=C(c3ccccc13)[O-][Ni+2]4(N(C(C5=C(c6ccccc6C5=O)[O-]4)c7ccccc7)c8ccccc8)N(C2c9ccccc9)c%10ccccc%10"	0	""	""	1	1	24202332	""
"639174"	"639174"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)CN)cccc5nc34)C2=O"	0	"TOP1"	""	2	2	NA	""
"639176"	"639176"	"(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl"	"CC[C@@]1(OC(=O)CN(C)C)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	""	""	1	1	11969927	""
"639186"	"639186"	"Raltitrexed"	"CN(Cc1ccc2N=C(C)NC(=O)c2c1)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"Ds|DHFR|TYMS"	"FDA approved"	1	1	135400182	"112887680"
"639187"	"639187"	"Landomycin A"	"CC1OC(CCC1O)OC2CC(OC3C(O)CC(OC4CCC(OC5CC(OC6C(O)CC(Oc7ccc(O)c8C(=O)C9=C([C@H](O)Cc%10cc(C)cc(O)c9%10)C(=O)c78)OC6C)OC(C)C5O)OC4C)OC3C)OC(C)C2O"	0	""	""	6	4	368342	""
"639205"	"639205"	"N',N'-Dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	"CN(C)CCCNc1ccnc2cccc(c12)[N+](=O)[O-]"	0	""	""	2	1	368343	""
"639207"	"639207"	""	"COc1ccc(c2c(NCCCN(C)C)ccnc12)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"639219"	"639219"	"N,N'-Dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide"	"C(CCCNc1cccc2ccccc12)CCNc3cccc4ccccc34"	0	""	""	1	1	368360	""
"639223"	"639223"	""	"COC(=O)[C-]1(Cc2ccc3cccc4[O-][Pd+2]1([n+]5cc([N+](=O)[O-])n(CCO)c5C)[n+]2c34)C(=O)OC"	0	NA	NA	1	1	NA	""
"639230"	"639230"	"2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one"	"CC1C([O-][B+3]2([O-]C(=O)C[N+]12C)[c-]3ccc(Br)cc3)c4ccccc4"	0	""	""	1	1	494957	""
"639364"	"639364"	"2,9-dimethylellipticinium acetate"	"Cc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	7	6	10472068	""
"639365"	"639365"	"1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2- h..."	"CCN(CC)CC(O)CNc1ccc(NCC(O)CCl)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	4	4	368387	""
"639366"	"639366"	"1-[[3'-(Diethylamino)-2'-hydroxypropyl]amino]-4- [(2'',3..."	"CCN(CC)CC(O)CNc1ccc(NCC2CO2)c3C(=O)c4ccccc4C(=O)c13"	0	""	""	4	4	5388837	"144181124"
"639390"	"639390"	"4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide"	"CCOP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	2	1	368399	""
"639391"	"639391"	"4-Chloro-3-methyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide"	"CC(C)OP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	1	1	368400	""
"639424"	"639424"	"Tridecylboronic acid"	"CCCCCCCCCCCCCB(O)O"	0	""	""	1	1	368422	""
"639443"	"639443"	"3-[4'-Chloro-1-naphthyl]phthalide"	"Clc1ccc(C2OC(=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	368427	""
"639498"	"639498"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-(2-methyl- p..."	"CC(C)\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	3	3	21141929	""
"639499"	"639499"	"(2E)-2-(2-Methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	2	2	54608095	""
"639500"	"639500"	"(2E)-2-(2-Methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)\C=C\1/CCC(CN2CCCC2)C1=O"	0	""	""	2	2	54598738	""
"639501"	"639501"	"Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-..."	"CCCC\C=C\1/CCC(CN2CCCCC2)C1=O"	0	""	""	3	1	54608096	""
"639503"	"639503"	"Cyclopentanone, 2-hexylidene-5-[(4-morpholinyl)methyl]-,..."	"CCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	4	3	21141930	""
"639504"	"639504"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-octylidene-,..."	"CCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	3	2	6516817	""
"639505"	"639505"	"Cyclopentanone, 2-[(4-morpholinyl)methyl]-5-nonylidene, ..."	"CCCCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	3	2	54612513	""
"639506"	"639506"	"2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride"	"CN(C)CC1CCC(=C(C)C)C1=O"	0	""	""	1	1	368456	""
"639507"	"639507"	"Cyclopentanone, 2-(1-methylethylidene)-5-(4-morpholinyl-..."	"CC(=C1CCC(CN2CCOCC2)C1=O)C"	0	""	""	3	3	368458	""
"639508"	"639508"	"2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"O=C1C(CN2CCCCC2)CCC1=C3CCCC3"	0	""	""	1	1	368460	""
"639509"	"639509"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[2-[4- (2-me..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN(C)C)C2=O"	0	""	""	3	2	21141933	""
"639510"	"639510"	"(2E)-2-[2-(3-Bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CC(\C=C\1/CCC(CN(C)C)C1=O)c2cccc(Br)c2"	0	""	""	2	2	6516820	""
"639511"	"639511"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-methoxy-..."	"COc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1"	0	""	""	3	3	21141935	""
"639512"	"639512"	"Cyclopentanone, 2-[(4-methoxyphenyl)methylene]-5-[(4- mo..."	"COc1ccc(\C=C\2/CCC(CN3CCOCC3)C2=O)cc1"	0	""	""	3	2	50988775	""
"639513"	"639513"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3-methoxy-..."	"COc1cccc(\C=C\2/CCC(CN(C)C)C2=O)c1"	0	""	""	4	2	21141937	""
"639514"	"639514"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5- [[4-[(propi..."	"CCC(=O)OCOc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1"	0	""	""	4	2	50988761	""
"639515"	"639515"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-(1,3- benzod..."	"CN(C)CC1CC\C(=C/c2ccc3OCOc3c2)\C1=O"	0	""	""	3	2	21141939	""
"639516"	"639516"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3,4- dimet..."	"COc1ccc(\C=C\2/CCC(CN(C)C)C2=O)cc1OC"	0	""	""	4	2	21141940	""
"639517"	"639517"	"Cyclopentanone, 2-[(4-chlorophenyl)methylene]-5-[(4- mor..."	"Clc1ccc(\C=C\2/CCC(CN3CCOCC3)C2=O)cc1"	0	""	""	4	4	50988453	""
"639518"	"639518"	"Cyclopentanone, 2-[[4-(benzoyloxy)-3-methoxyphenyl] meth..."	"COc1cc(\C=C\2/CCC(CN(C)C)C2=O)ccc1OC(=O)c3ccccc3"	0	""	""	3	3	6516825	""
"639519"	"639519"	"(2E)-2-[(3,4-Dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1CC\C(=C/c2ccc(Cl)c(Cl)c2)\C1=O"	0	""	""	2	2	50988456	""
"639520"	"639520"	"Cyclohexanone, 2-[(2-methoxyphenyl)methylene]-5-[(4- mor..."	"COc1ccccc1\C=C\2/CCC(CN3CCOCC3)C2=O"	0	""	""	3	3	6516827	""
"639521"	"639521"	"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(2-methoxy-..."	"COc1ccccc1\C=C\2/CCC(CN(C)C)(Cc3ccccc3)C2=O"	0	""	""	3	3	6516829	""
"639527"	"639527"	"(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride"	"COc1ccc(\C=C\2/CCC(C)(CN(C)C)C2=O)cc1"	0	""	""	1	1	6516839	""
"639531"	"639531"	"(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"COc1cc(\C=C\2/CCC(C)(CN(C)C)C2=O)cc(OC)c1OC"	0	""	""	2	1	6516845	""
"639533"	"639533"	"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride"	"CN(C)CC1(CC=C)CC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	""	""	2	1	6516849	""
"639534"	"639534"	"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride"	"CN(C)CC1(CC=C)CC\C(=C/c2ccc3OCOc3c2)\C1=O"	0	""	""	1	1	6516851	""
"639536"	"639536"	"(5E)-2-[(Dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"CCC1(CN(C)C)CC\C(=C/c2ccc(OC)cc2)\C1=O"	0	""	""	1	1	6516853	""
"639537"	"639537"	"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride"	"CCC1(CN(C)C)CC\C(=C/c2ccc(OC)c(OC)c2)\C1=O"	0	""	""	2	1	6516854	""
"639539"	"639539"	"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccccc3OC)\C2=O)cc1"	0	""	""	2	2	5915890	""
"639540"	"639540"	"(5E)-2-[(4-Chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one"	"COc1ccccc1\C=C\2/CCC(CNc3ccc(Cl)cc3)C2=O"	0	""	""	2	2	6516858	""
"639541"	"639541"	"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- h..."	"Oc1ccc(\C=C\2/CCC(CNc3ccc(Cl)cc3)C2=O)cc1"	0	""	""	3	2	5930524	""
"639542"	"639542"	"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	2	2	6091065	""
"639543"	"639543"	"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- c..."	"Clc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	3	2	5927311	""
"639595"	"639595"	"Chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane..."	"CC1=O[Ti+4]2([ClH-])(O=C(C)[CH-]C(=O2)c3ccccc3)(O=C([CH-]1)c4ccccc4)[O-]C(=O)c5ccc(cc5)C(=O)[O-]"	0	NA	NA	1	1	NA	""
"639598"	"639598"	"Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)"	"CC[O-][Ti+4]([O-]CC)([O-]c1ccccc1\C=N\c2ccccc2)[O-]c3ccccc3\C=N\c4ccccc4"	0	""	""	1	1	368529	""
"639616"	"639616"	"Butanoic acid, 4-hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dio..."	"[Na+].OC(=O)CCC(=C1S(=O)(=O)OCCOS1(=O)=O)O"	0	NA	NA	2	1	NA	""
"639617"	"639617"	"2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CN(C)CC1(Cc2ccccc2)CCC(Cc3ccccc3)C1=O"	0	""	""	4	2	368538	""
"639621"	"639621"	"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride"	"COc1ccccc1\C=C\2/CCC(CCN(C)C)(C3=CCCC3)C2=O"	0	""	""	1	1	6516861	""
"639624"	"639624"	"(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride"	"COc1ccc(\C=C\2/CCC(CCN(C)C)(C3=CCCC3)C2=O)cc1Br"	0	""	""	1	1	10027011	""
"639645"	"639645"	""	"CC1OC(CC2C=CCc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC(NC(=O)C(F)(F)F)C1O"	0	NA	NA	1	1	NA	""
"639655"	"639655"	"3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydr..."	"COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(C(O)C(C)O5)N6CCOCC6)c4c(O)c3C(=O)c12)C(O)CO"	0	NA	NA	3	1	NA	""
"639659"	"639659"	"N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate"	"COCC(NC1CC(OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)OC(C)C1O)C#N"	0	""	""	3	3	438492	""
"639661"	"639661"	"2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione"	"CC(C)C1=Cc2ccc3CCCCc3c2C(=O)C1=O"	0	""	""	3	2	368568	""
"639662"	"639662"	"Miltirone"	"CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O"	0	""	""	2	1	160142	""
"639683"	"639683"	"4-Chloro-3-cinnolinol"	"ClC1=C2C=CC=CC2=NNC1=O"	0	""	""	1	1	368587	""
"639694"	"639694"	"Combretastatin A-4, sodium salt"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O"	0	""	""	3	3	54608929	""
"639714"	"639714"	"4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-"	"O=C1NC2C3CC(OCc4ccccc4)(OCc5ccccc5)C2OC3O1"	0	""	""	1	1	368605	""
"639723"	"639723"	"Benzyl 6,6-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate"	"O=C(OCc1ccccc1)N2N=NC3C4CC(OCc5ccccc5)(OCc6ccccc6)C(O4)C23"	0	""	""	1	1	368615	""
"639734"	"639734"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3cc(Br)cc(Br)c23)c4ccccc4"	0	NA	NA	1	1	NA	""
"639736"	"639736"	"[3,4,5-Triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3ccccc23)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	3	2	368628	""
"639741"	"639741"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=S)c3ccccc23)c4ccccc4"	0	NA	NA	2	2	NA	""
"639743"	"639743"	"[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=S)N(C(=O)c3ccccc23)c4ccccc4"	0	""	""	1	1	368630	""
"639749"	"639749"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)N(C(=O)c3cc(Br)cc(Br)c23)c4ccccc4"	0	NA	NA	1	1	NA	""
"639752"	"639752"	"Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate"	"CCOC(=O)c1c(oc2c1ccc3nc4nonc4nc23)C(F)(F)F"	0	""	""	2	1	368639	""
"639754"	"639754"	"Carbamic acid, N-[6-[(1H-pyrrol-1-yl)methyl]- 1-benzimid..."	"CCOC(=O)Nc1nc2ccc(Cn3cccc3)cc2[nH]1"	0	""	""	6	3	368640	""
"639790"	"639790"	"1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one"	"NCCN1C=CC(=NC1=O)NC(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	368672	""
"639796"	"639796"	"1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one"	"O=C1N=C(NC(c2ccccc2)(c3ccccc3)c4ccccc4)C=CN1CCNCCN5C=CC(=NC5=O)NC(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	368678	""
"639819"	"639819"	"Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate"	"CC(C)(C)OC(=O)N1N=NC2C3OC(CC3=O)C12"	0	""	""	1	1	368687	""
"639825"	"639825"	"[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate"	"CCOC(=O)NC1C2CC(=O)OC(O2)C1OC(=O)C"	0	""	""	2	1	368693	""
"639828"	"639828"	"antineoplastic-639828"	"Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(Cl)c2"	0	""	""	9	2	368696	"134742260"
"639829"	"639829"	"Benzoylphenylurea"	"CN(C)c1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	7	5	368697	"134742191"
"639831"	"639831"	"Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dion..."	"COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C8O[C@@H](OC28)c9ccccc9)C1O"	0	NA	NA	6	6	NA	""
"639832"	"639832"	"Benzo[h][1]benzopyrano[5,4,3-cde][1] benzopyran-5,12-dio..."	"CC1OC(OC2C(Oc3cccc4c(O)c5C(=O)Oc6ccc(C)c7C(=O)Oc(c5c67)c34)OC(C)C8O[C@H](OC28)c9ccccc9)C(O)C(O)C1O"	0	NA	NA	3	2	NA	""
"639837"	"639837"	""	"ClCCC1(CC(CN2CCOCC2)C(=O)O1)c3ccccc3"	0	NA	NA	1	1	NA	""
"639896"	"639896"	"8-bromo-2-phenyl-1-aza-azulene"	"Brc1ccccc2cc(nc12)c3ccccc3"	0	""	""	5	2	368742	"121505495"
"639900"	"639900"	"3-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzisoxazole"	"C1CC2CC1C3ON=C(C23)c4ccccc4"	0	""	""	1	1	368746	""
"639906"	"639906"	"Bionet2_001484"	"COC(=O)C1CC(=NO1)c2ccc(Cl)cc2"	0	""	""	1	1	368752	""
"639912"	"639912"	"3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole"	"[O-][N+](=O)c1cccc(c1)C2=NOC3CCCC23"	0	""	""	1	1	368758	""
"639966"	"639966"	"Perifosine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	4	3	148177	"157716524"
"639976"	"639976"	"Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)- pheny..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCOCC3)C2=O"	0	""	""	3	3	21141970	""
"639977"	"639977"	"(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCCC3)C2=O"	0	""	""	2	2	54608909	""
"639978"	"639978"	"Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)phenyl]..."	"CC(C)Cc1ccc(cc1)C(C)\C=C\2/CCC(CN3CCCCC3)C2=O"	0	""	""	3	3	54605003	""
"639979"	"639979"	"Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-,..."	"CCCCCC\C=C\1/CCC(CN2CCCC2)C1=O"	0	""	""	2	2	54608101	"162190887"
"639980"	"639980"	"3-[(Dimethylamino)methyl]-1,1'-bi(cyclopentyliden)-2-one"	"CN(C)CC1CCC(=C2CCCC2)C1=O"	0	""	""	2	2	368780	""
"639981"	"639981"	"(2E)-2-(1,3-Benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"O=C1C(CN2CCOCC2)CC/C/1=C\c3ccc4OCOc4c3"	0	""	""	4	3	6516904	""
"639985"	"639985"	"(2E)-2-Butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CC\C(=C\1/CCC(CN(C)C)C1=O)\C"	0	""	""	1	1	54608547	""
"639986"	"639986"	"(2E)-2-Butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CC\C(=C\1/CCC(CN2CCOCC2)C1=O)\C"	0	""	""	1	1	50988763	""
"640071"	"640071"	"Pyrrolo[2,3-b]indole-2-one, 1,2,3,3a-tetrahydro-5-hydrox..."	"CN1C2N(C)c3ccc(O)cc3C2(C)CC1=O"	0	""	""	5	2	368806	""
"640076"	"640076"	"Hydroxylureal-organogermanium compound"	"NC(=O)NO.O[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)[Ge](=O)[Ge](O)(O)O"	0	""	""	2	2	6331027	""
"640080"	"640080"	"1H-Imidazole-5-one, 2-(2-chloro-5-nitrophenyl)- 4-[[4-[b..."	"COc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3C)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	5	2	6477148	""
"640081"	"640081"	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile"	"Cc1cc(ccc1\C=C\2/N=C(N(C2=O)c3cccc(Cl)c3)c4cc(ccc4Cl)[N+](=O)[O-])N(CCC#N)CCC#N"	0	""	""	1	1	6477149	""
"640083"	"640083"	"N,N-Bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide"	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(I)ccc13"	0	""	""	2	2	54608102	""
"640084"	"640084"	"4-[(E)-2-(6-Bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide"	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(Br)ccc13"	0	""	""	2	2	54600726	""
"640085"	"640085"	"Quinolinium, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl] et..."	"CC[n+]1c(\C=C\c2ccc(cc2)N(CCCl)CCCl)ccc3cc(NC(=O)\C=C\c4ccccc4)ccc13"	0	""	""	3	3	54608103	""
"640168"	"640168"	"2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione"	"CCC1(CCN2C(=O)c3ccccc3C2=O)CC(=C)C(=O)O1"	0	""	""	1	1	368843	""
"640180"	"640180"	"Methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate"	"COC(=O)\C(=C\1/NC(=O)c2ccccc12)\C#N"	0	""	""	1	1	3004238	""
"640187"	"640187"	"Zinc;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide"	"[I-].C[n+]1ccc(cc1)C2=C3C=CC4=C(C5=[N+]6C(=C(c7cc[n+](C)cc7)c8ccc9[nH-]8[Zn+2]6([NH-]34)[N+]%10=C2C=CC%10=C9c%11cc[n+](C)cc%11)C=C5)c%12cc[n+](C)cc%12"	0	""	""	1	1	368851	""
"640188"	"640188"	"4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide"	"O=S1OC(c2ccccc2)(c3ccccc3)C(O1)(c4ccccc4)c5ccccc5"	0	""	""	2	2	368852	""
"640190"	"640190"	"1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol"	"COc1ccccc1C(O)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4OC"	0	""	""	2	1	368855	""
"640192"	"640192"	"6-Phenylthio-7H-benzocycloheptene-1,4,7-trione"	"O=C1C=CC2=C(C=C1Sc3ccccc3)C(=O)C=CC2=O"	0	""	""	4	3	368857	""
"640199"	"640199"	"antineoplastic-d640199"	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4cccc(Cl)c4n(C5OC(CO)C(OC)C(O)C5O)c3c6[nH]c7c(Cl)cccc7c26"	0	""	""	3	2	368860	""
"640212"	"640212"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccccc3)c4occc4)C#N"	0	NA	NA	2	1	NA	""
"640214"	"640214"	""	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	NA	NA	1	1	NA	""
"640215"	"640215"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccc(N)cc3)c4occc4)C#N"	0	NA	NA	1	1	NA	""
"640218"	"640218"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)C(=C(C=C2c3ccccc3)c4occc4)C#N"	0	NA	NA	1	1	NA	""
"640220"	"640220"	""	"COc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	NA	NA	1	1	NA	""
"640226"	"640226"	"[4,5-Dibenzoyloxy-2-[3-cyano-4-(2-furyl)-2-oxo-6-(p-tolyl)-1-pyridyl]tetrahydrofuran-3-yl] benzoate"	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=O)N2C3OC(OC(=O)c4ccccc4)C(OC(=O)c5ccccc5)C3OC(=O)c6ccccc6)c7occc7"	0	""	""	1	1	368881	""
"640237"	"640237"	""	"[O-][N+](=O)c1cccc(c1)C2=NO[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(Cc5ccc(cc5)N6C(=O)[C@H]7ON=C([C@H]7C6=O)c8cccc(c8)[N+](=O)[O-])cc4"	0	NA	NA	1	1	NA	""
"640322"	"640322"	"[(Aminomethyl)(2-aminoethyl)dimethylsilane] platinum(IV)..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NCC[Si](C)(C)CN1"	0	NA	NA	4	4	NA	""
"640326"	"640326"	"2,7,17-Trimethyl-11-methylidene-3,15-dioxapentacyclo[8.8.0.02,4.05,9.014,18]octadeca-5(9),14(18),16-trien-8-one"	"CC1CC2=C(C3C(c4c(C)coc4CCC3=C)C5(C)OC25)C1=O"	0	""	""	1	1	368921	""
"640328"	"640328"	"ternatin"	"COC1=C(Oc2c(OC)c(OC)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	NA	NA	1	1	NA	""
"640334"	"640334"	"Culmorin"	"CC1(C)CCCC2(C)C3C(O)CC2(C)C(O)C13"	0	""	""	1	1	368926	""
"640335"	"640335"	"2-Propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-meth..."	"Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1\C(=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C=C\c4ccc5OCOc5c4"	0	""	""	4	1	135488945	""
"640336"	"640336"	"N-[(E)-[(E)-3-(3,4-Dimethoxyphenyl)-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide"	"COc1ccc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(cc4)[N+](=O)[O-])nc3C)cc1OC"	0	""	""	1	1	135499148	""
"640337"	"640337"	"N-[(E)-[(E)-3-(3-Hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]propanamide"	"CCC(=O)N\N=C(/C=C/c1cccc(O)c1)\c2sc(Nc3ccc(C)cc3[N+](=O)[O-])nc2C"	0	""	""	1	1	135499149	""
"640338"	"640338"	"N-[(E)-[(E)-3-[4-(Dimethylamino)phenyl]-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide"	"CN(C)c1ccc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(cc4)[N+](=O)[O-])nc3C)cc1"	0	""	""	1	1	135499150	""
"640340"	"640340"	""	"COc1cc(\C=C\C(=N/NC(=O)c2ccccc2)\c3sc(Nc4ccc(Cl)c(Cl)c4)nc3C)ccc1O"	0	NA	NA	1	1	NA	""
"640341"	"640341"	"5-[(E)-C-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitrophenyl)-1,3-thiazol-2-amine"	"Cc1ccc(Nc2nc(C)c(s2)\C(=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C=C\c4ccc5OCOc5c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	135499152	""
"640347"	"640347"	""	"CS\C(=N/c1ccccc1Cl)\NC(=O)c2ccc(Br)cc2"	0	NA	NA	1	1	NA	""
"640351"	"640351"	"N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)C(=O)C2NC(=S)NC2=O)C(F)(F)F"	0	""	""	1	1	3004248	""
"640355"	"640355"	"N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide"	"OC1=C(NNS(=O)(=O)c2ccccc2)C(OC1=N)c3cccc(Cl)c3"	0	""	""	3	3	5838810	""
"640359"	"640359"	"Thiourea, N-[(4-bromophenyl)carbonyl]- N'-(2,6-diethylph..."	"CCc1cccc(CC)c1NC(=S)NC(=O)c2ccc(Br)cc2"	0	""	""	2	1	3004250	""
"640391"	"640391"	"Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, cis-, d..."	"CN(C)C[C@@H]1CC[C@H](CN(C)C)C1=O"	0	NA	NA	4	3	NA	""
"640394"	"640394"	"[(2Z)-2-Hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide"	"C[N+](C)(C)CC1CCC/C/1=N/O"	0	""	""	1	1	6516931	""
"640439"	"640439"	"3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide"	"COC(=O)C1=CCS(=O)(=O)C1"	0	""	""	1	1	368979	""
"640440"	"640440"	"1-Bromo-2-iodo-trans-2-butene"	"C\C=C(\I)/CBr"	0	NA	NA	1	1	NA	""
"640499"	"640499"	"Ethanol, 2-[4-(2,2':6',2\"-terpyridin-4'-yl)phenoxy]-"	"OCCOc1ccc(cc1)c2cc(nc(c2)c3ccccn3)c4ccccn4"	0	""	""	5	3	368990	""
"640500"	"640500"	"Neuro_000310"	"OCCCCCCOc1ccc(cc1)c2cc(nc(c2)c3ccccn3)c4ccccn4"	0	""	""	3	3	368991	""
"640506"	"640506"	"3,8,13,18-pentaazapentacosane pentahydrochloride"	"CCNCCCCNCCCCNCCCCNCCCCNCC"	0	NA	NA	5	2	NA	""
"640519"	"640519"	"3'-Carboxypropionyl-(Z)-combretastatin A-4"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCC(=O)O"	0	NA	NA	2	2	NA	""
"640520"	"640520"	"10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one"	"O=C1CCN2C(=Nc3cccc4cccc2c34)N1"	0	""	""	1	1	369000	""
"640528"	"640528"	"7J-621S"	"Clc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1"	0	""	""	2	1	6290868	""
"640530"	"640530"	"ZX-AT026954"	"Clc1ccccc1\C=C\C(=O)c2cccc3ccccc23"	0	""	""	1	1	5377479	""
"640531"	"640531"	""	"Clc1ccc(C(=O)\C=C\c2ccc(Cl)c(Cl)c2)c(Cl)c1"	0	NA	NA	2	1	NA	""
"640534"	"640534"	"1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one"	"Clc1ccccc1C(=O)\C=C\c2cccc3ccccc23"	0	""	""	1	1	5921231	""
"640537"	"640537"	"ZX-AT028159"	"Cc1ccc(cc1)C(=O)\C=C\c2cccc(c2)[N+](=O)[O-]"	0	""	""	2	1	5712222	""
"640547"	"640547"	""	"Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)\C=C\c3ccccc3[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"640552"	"640552"	"N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide"	"Cc1nc(N)sc1C(=O)\C=C\c2ccc(\C=C\C(=O)c3sc(NC(=O)CCCCCCCCC(=O)Nc4nc(C)c(s4)C(=O)\C=C\c5ccc(\C=C\C(=O)c6sc(N)nc6C)cc5)nc3C)cc2"	0	""	""	1	1	6302566	""
"640556"	"640556"	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one"	"Cc1nc(sc1C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	2	2	5934332	""
"640559"	"640559"	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one"	"Cc1nc(sc1C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	6035704	""
"640575"	"640575"	"(E)-3-(4-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2sc(nc2C)c3cccnc3)cc1"	0	""	""	1	1	6063589	""
"640582"	"640582"	"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5)ccc1O"	0	""	""	1	1	6055758	""
"640583"	"640583"	"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one"	"Cc1ccc(\C=C\C(=O)c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5)cc1"	0	""	""	1	1	5864101	""
"640584"	"640584"	"Q22579236"	"Cc1nc(sc1C(=O)\C=C\c2ccc(Cl)c(Cl)c2)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	5351382	""
"640620"	"640620"	"2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine"	"CC1=CC(C)(C)N=C2SC(=NN12)c3ccc(Cl)cc3"	0	""	""	1	1	369063	""
"640624"	"640624"	"NCIMech_000349"	"CC1=CC(C)(C)N=C2SC(=NN12)c3ccc(N)cc3"	0	""	""	2	1	369067	""
"640625"	"640625"	"3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine"	"CC1=Nn2c(NC(C)(C)C1)nnc2c3ccccc3Cl"	0	""	""	1	1	369068	""
"640630"	"640630"	"1-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine"	"Cc1ccccc1SC(\C=C\NNC2=NN=C(C(N2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	5916893	""
"640632"	"640632"	"1-[2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]-3-phenylthiourea"	"S=C(Nc1ccccc1)Nc2ccccc2SC(\C=C\NNC3=NN=C(C(N3)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	5924617	""
"640636"	"640636"	"N-(5,6-Diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(\N=C\C=C\c2ccccc2)c3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	1	1	9555833	""
"640640"	"640640"	"3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine"	"CC(Sc1ccc(C)cc1)\C=C\NNC2=NN=C(C(N2)c3ccccc3)c4ccccc4"	0	""	""	1	1	6081322	""
"640644"	"640644"	"[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate"	"Nc1oc(nc1C#N)C2OC(COC(=O)c3ccccc3)C(OC(=O)c4ccccc4)C2OC(=O)c5ccccc5"	0	""	""	1	1	369087	""
"640648"	"640648"	"6-Bromo-3-phenyl-2-[(phenylamino)methyl]quinazolin-4(3H)-one"	"Brc1ccc2N=C(CNc3ccccc3)N(C(=O)c2c1)c4ccccc4"	0	""	""	2	2	369091	""
"640650"	"640650"	"6-Bromo-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one"	"Cc1ccccc1N2C(=Nc3ccc(Br)cc3C2=O)CCl"	0	""	""	2	1	369093	""
"640655"	"640655"	"3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4(3H)-one"	"NN1C(=Nc2c(Br)cc(Br)cc2C1=O)CCCl"	0	""	""	2	1	369098	""
"640658"	"640658"	"(6-Bromo-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl 2-hydroxybenzoate"	"Oc1ccccc1C(=O)OCC2=Nc3ccc(Br)cc3C(=O)N2c4ccccc4"	0	""	""	1	1	369101	""
"640672"	"640672"	"N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Cc1ccccc1N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	2	2	369124	""
"640674"	"640674"	"S-Phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]-3-phenylsulfanylpropanethioate"	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)NC(C(Sc2ccccc2)c3ccc(cc3)N(CCC#N)CCC#N)C(=O)Sc4ccccc4"	0	""	""	2	2	369126	""
"640675"	"640675"	"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"CCOc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-]"	0	""	""	1	1	5935964	""
"640680"	"640680"	"N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"COc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccccc3Cl)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	369132	""
"640682"	"640682"	"(E)-1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one"	"CC(C)(CN1CCCCC1)C(=O)\C=C\c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	6474493	""
"640683"	"640683"	"1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride"	"COc1ccc(\C=C\C(=O)C(C)(C)CN2CCCCC2)cc1"	0	""	""	1	1	6474494	""
"640688"	"640688"	"Tetracarboxyphthalocyanine-Gadolinium"	"[K+].[O-]C(=O)c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9cc(ccc9C%10=[N+]8[Gd+3]57[NH-]3C(=N%10)c2c1)C(=O)[O-])c%11ccc(cc6%11)C(=O)[O-])c%12ccc(cc4%12)C(=O)[O-]"	0	NA	NA	2	1	NA	""
"640735"	"640735"	"3-(4-Methoxy-2-methylphenyl)naphthol [2,1-c]furan-1(3H)-one"	"COc1ccc(C2OC(=O)c3ccc4ccccc4c23)c(C)c1"	0	""	""	2	2	369148	""
"640736"	"640736"	"3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one"	"COc1ccc(C2OC(=O)c3c2ccc4ccccc34)c(C)c1"	0	""	""	1	1	369149	""
"640737"	"640737"	"azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	NA	NA	8	1	NA	""
"640739"	"640739"	"Hobartine, 8-oxo-9-dehydro"	"CC1=CCC2CC1C(=NC2(C)C)C(=O)c3c[nH]c4ccccc34"	0	""	""	1	1	369152	""
"640884"	"640884"	"Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide"	"Cc1nc2ccccn2c1N=Nc3ccc(cc3)C(=O)NN"	0	""	""	1	1	369178	""
"640921"	"640921"	"1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate"	"COC(=O)C12C3C4C1C5C2C3C45C(=O)OC(C)(C)C"	0	""	""	2	1	369215	""
"640929"	"640929"	"Euphorbia substance SPr5"	"CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(OC(=O)C)C1C(OC(=O)C)C34COC(C)([C@@H]2OC(=O)C)[C@@H]3C5C(C[C@]5(C)OC(=O)C)[C@@H](OC(=O)c6ccccc6)C4=O"	0	""	""	1	1	5459191	""
"640963"	"640963"	"N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide"	"COc1ccc(NC(=O)C(=O)NO)c(OC)c1"	0	""	""	1	1	369235	""
"640986"	"640986"	"N-(2,4-Dinitrophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	369255	""
"640990"	"640990"	"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"CCOc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccccc5F)sc2c1"	0	""	""	1	1	369259	""
"640993"	"640993"	"Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)Nc1ccc(Br)cc1)c2nc3ccc(Cl)cc3nc2O"	0	""	""	2	1	369262	""
"640994"	"640994"	"Biphenyl-2-butanamide,  N-(6-ethoxybenzothiazol-2-yl)- ...."	"CCOc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccccc5c6ccccc6)sc2c1"	0	""	""	2	1	369263	""
"641009"	"641009"	"Tellurium, trichloro[1,2-hexanedioato(2-)-O,O']-, ammonium"	"N.CCCCC1C[O-][Te+4]([ClH-])([ClH-])([ClH-])[O-]1"	0	""	""	3	2	498945	""
"641010"	"641010"	"Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal"	"N.CCCCCCC1C[O-][Te+4]([ClH-])([ClH-])([ClH-])[O-]1"	0	""	""	2	2	498947	""
"641035"	"641035"	"Trunculin-A methyl ester"	"COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CCC2=C(C)CC3C=C(C)CCC3C2(C)C)OO1"	0	""	""	1	1	54608546	""
"641036"	"641036"	"Trunculin-B methyl ester"	"COC(=O)[C@H](C)[C@H]1CC[C@](C)(OO1)[C@H]2CC3C(C)(C)[C@H]4CCC(=C[C@H]4C[C@@]3(C)O2)C"	0	""	""	2	2	6711772	""
"641048"	"641048"	"3,4',4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra..."	"[Na+].[O-]S(=O)(=O)c1ccc2C3=NC4=[N+]5C(=Nc6[nH-]7c(N=C8c9cc(ccc9C%10=[N+]8[Cu+2]57[NH-]3C(=N%10)c2c1)S(=O)(=O)[O-])c%11ccc(cc6%11)S(=O)(=O)[O-])c%12cc(ccc4%12)S(=O)(=O)[O-]"	0	NA	NA	3	3	NA	""
"641052"	"641052"	"Platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin..."	"CS(=O)(Cc1ccccc1)[Pt+2]([ClH-])([ClH-])[n+]2cccc3ccccc23"	0	NA	NA	4	4	NA	""
"641054"	"641054"	""	"[ClH-][Pt+2]([ClH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	2	2	NA	""
"641055"	"641055"	""	"[IH-][Pt+2]([IH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	1	1	NA	""
"641056"	"641056"	""	"[IH-][Pt+2]([IH-])([n+]1ccsc1)[n+]2ccsc2"	0	NA	NA	2	2	NA	""
"641062"	"641062"	"1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione"	"O=C1N(Cc2ccccc2)C3=C(N1Cc4ccccc4)C(=O)N(Cc5ccccc5)C3=O"	0	""	""	1	1	369308	""
"641066"	"641066"	"perillol"	"CC(=C)[C@H]1CCC(=CC1)CO"	0	NA	NA	2	1	NA	"536594"
"641076"	"641076"	".cis.-Bis(1-phenylbutane-1,3-dionato)bis(5-pregnene-20-o..."	"[Cl-].CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)[O-][Ti+4]56(O=C(C)[CH-]C(=O5)c7ccccc7)(O=C(C)[CH-]C(=O6)c8ccccc8)[O-][C@H]9CC[C@]%10(C)C%11CC[C@@]%12(C)C(CC[C@@H]%12C(=O)C)[C@@H]%11CC=C%10C9"	0	""	""	1	1	369320	""
"641094"	"641094"	""	"C\C(=N\NC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c2ccc(C)cc2)\C3=Cc4ccccc4OC3=O"	0	NA	NA	1	1	NA	""
"641097"	"641097"	""	"Cc1cc(ccc1\C=C\C(=O)Nc2ccccc2)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"641106"	"641106"	"Benzenesulfonamide, N-[4-[[(4-carboxypheny)imino]methyl]..."	"Cc1cc(ccc1\C=N\c2ccc(cc2)C(=O)O)N(CCC#N)S(=O)(=O)c3ccccc3"	0	""	""	3	2	369351	""
"641111"	"641111"	"N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide"	"O=C(N(C(=O)c1ccccc1)c2ccccc2\N=C(/C#N)\c3ccccc3)c4ccccc4"	0	""	""	2	2	369355	""
"641139"	"641139"	"6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide"	"CCOc1ccc(cc1)N=Nc2ccc3OC(=O)C(=Cc3c2)C(=O)Nc4ccc(OC)cc4"	0	""	""	1	1	369377	""
"641142"	"641142"	"N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"COc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	369380	""
"641149"	"641149"	"1-Chloro-7-methyl-phenothiazone"	"Cc1ccc2N=C3C(=CC(=O)C=C3Sc2c1)Cl"	0	""	""	1	1	369385	""
"641150"	"641150"	"7-Chloro-1-methyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3cc(Cl)ccc3N=C12"	0	""	""	2	2	369386	""
"641151"	"641151"	"1,2-Dimethyl-phenothiazone"	"CC1=C(C)C2=Nc3ccccc3SC2=CC1=O"	0	""	""	2	1	369387	""
"641152"	"641152"	"1,6-Dimethyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3c(C)cccc3N=C12"	0	""	""	1	1	369388	""
"641153"	"641153"	"1,7-Dimethyl-phenothiazone"	"CC1=CC(=O)C=C2Sc3cc(C)ccc3N=C12"	0	""	""	1	1	369389	""
"641155"	"641155"	"2,7-Dimethyl-phenothiazone"	"CC1=CC2=Nc3ccc(C)cc3SC2=CC1=O"	0	""	""	1	1	369391	""
"641158"	"641158"	"2-Chloro-1,7-dimethyl-phenothiazone"	"CC1=C(Cl)C(=O)C=C2Sc3cc(C)ccc3N=C12"	0	""	""	3	2	369394	""
"641161"	"641161"	"2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile"	"CCN(CC)CCOc1ccc(\C=C(/C#N)\c2ccc(OCCN(CC)CC)cc2)cc1"	0	""	""	2	2	5466693	""
"641172"	"641172"	"10-Acetylsalicyldithranol"	"CC(=O)Oc1ccccc1C(=O)C2c3cccc(O)c3C(=O)c4c(O)cccc24"	0	""	""	2	1	125294	""
"641174"	"641174"	"Neuro_000312"	"Oc1cccc2C(C(=O)CCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	3	2	369404	""
"641175"	"641175"	"1,6-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione"	"Oc1cccc2C(C(=O)CCCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	3	1	369405	""
"641176"	"641176"	"1,7-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione"	"Oc1cccc2C(C(=O)CCCCCC(=O)C3c4cccc(O)c4C(=O)c5c(O)cccc35)c6cccc(O)c6C(=O)c12"	0	""	""	2	2	369406	""
"641177"	"641177"	"N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide"	"CC(C)N(C(C)C)P1(=O)C(Sc2ccc(C)cc2)C(C)(C)N1C(C)C"	0	""	""	2	1	369407	""
"641178"	"641178"	"Maybridge3_005893"	"Fc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1"	0	""	""	1	1	369408	""
"641184"	"641184"	"(4-isopropylphenyl)[?]dione"	"CC(C)c1ccc(cc1)C2N3C(=O)CSC3=NC4=C2c5ccccc5C4=O"	0	""	""	1	1	369414	""
"641203"	"641203"	"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide"	"CC1CC(=Nc2ccccc2S1=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	369433	""
"641210"	"641210"	""	"FC(F)(F)c1ccccc1NC(=O)CCC(=O)N\N=C/2\C(\c3c(OC2c4ccc5OCOc5c4)cccc3)=N/NC(=O)CCC(=O)Nc6ccccc6C(F)(F)F"	0	NA	NA	2	2	NA	""
"641220"	"641220"	"4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide"	"COc1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	3	3	369450	""
"641224"	"641224"	"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	"Clc1cc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1Cl"	0	""	""	1	1	369454	""
"641225"	"641225"	"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1ccc2nc(NC(=O)C(=O)C(C3OC(=O)c4ccccc34)C(=O)c5ccc6ccccc6c5)sc2c1"	0	""	""	1	1	369455	""
"641226"	"641226"	"N-[2-(2,2-Dimethylpropyl)-6-methylphenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cccc(CC(C)(C)C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	369456	""
"641227"	"641227"	"N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"Fc1ccccc1C(=O)C(C2OC(=O)c3ccccc23)C(=O)C(=O)Nc4ccc(Br)cc4"	0	""	""	1	1	369457	""
"641228"	"641228"	"4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroisobenz..."	"Cc1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4F"	0	""	""	1	1	369458	""
"641230"	"641230"	"N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CCOc1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	369460	""
"641231"	"641231"	"4-Naphthalen-2-yl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1cc(ccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)C(F)(F)F"	0	""	""	2	1	369461	""
"641233"	"641233"	"2-Naphthalenebutanamide, N-(3-chloro-1,4-dihydro- 1,4-di..."	"ClC1=C(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)C(=O)c6ccccc6C1=O"	0	""	""	3	2	369463	""
"641235"	"641235"	"N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CCOc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1"	0	""	""	1	1	369465	""
"641236"	"641236"	"N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"Cc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)cc1C"	0	""	""	1	1	369466	""
"641237"	"641237"	"N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"CC(=O)c1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	369467	""
"641238"	"641238"	"N-(4-Chloro-2-methylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cc(Cl)ccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	369468	""
"641239"	"641239"	"N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"FC(F)(F)c1ccc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c1"	0	""	""	2	2	369469	""
"641240"	"641240"	"NCIMech_000766"	"COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34"	0	""	""	4	3	369470	""
"641241"	"641241"	"2-Naphthalenebutanamide, alpha-,gamma-dioxo-beta-(3-oxo ..."	"FC(F)(F)c1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)c1"	0	""	""	3	2	369471	""
"641242"	"641242"	"4-[2-[(3,4-Dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide"	"[O-][N+](=O)c1cccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)c1"	0	""	""	1	1	369472	""
"641245"	"641245"	"Benzenebutanamide, N-(3-chloro-1,4-dihydro-1,4-dioxo- 2-..."	"ClC1=C(NC(=O)C(=O)CC(=O)c2ccccc2NC3=Cc4ccccc4C(=O)C3=O)C(=O)c5ccccc5C1=O"	0	""	""	4	3	369475	""
"641250"	"641250"	"NCIMech_000066"	"Clc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)cc1Cl"	0	""	""	1	1	369480	""
"641251"	"641251"	"4-Naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butanamide"	"Sc1nnc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4)[nH]1"	0	""	""	1	1	3004261	""
"641252"	"641252"	"2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide"	"NC(=O)c1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc5ccccc5c4"	0	""	""	1	1	369482	""
"641253"	"641253"	"NCIMech_000796"	"Clc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)cc1"	0	""	""	2	2	369483	""
"641261"	"641261"	"Quinaldopeptin"	"C[C@H]1NC(=O)C2CCCCN2C(=O)CN(C)C(=O)CNC(=O)C3CCCCN3C(=O)[C@@H](NC(=O)c4nc5ccccc5cc4O)[C@@H](C)NC(=O)C6CCCCN6C(=O)CN(C)C(=O)CNC(=O)[C@@H]7CCCCN7C(=O)C1NC(=O)c8nc9ccccc9cc8O"	0	NA	NA	1	1	NA	""
"641276"	"641276"	""	"CN(C)CC[N+]1=Nc2cccc3cccc(N1)c23"	0	NA	NA	2	1	NA	""
"641279"	"641279"	"1-Methyl-5-(5-nitrofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1cc(cc(OC)c1OC)C2=NN(C)C(C2)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	369501	""
"641280"	"641280"	""	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(Cl)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(Cl)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	NA	NA	1	1	NA	""
"641281"	"641281"	"2-(4-(2-(5-(4-bromophenyl)-3H-1,2-dithiol-3-yl)-2-((1-(5..."	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(Br)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(Br)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	""	""	3	2	3000384	""
"641282"	"641282"	"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(3-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(3-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a"	"Cc1cccc(c1)C2=C\C(=C(/SS\C(=C/3\SSC(=C3)c4cccc(C)c4)\C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)\SS2"	0	""	""	2	2	3000388	""
"641283"	"641283"	"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a"	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccc(F)cc3)\SS\C(=C/4\SSC(=C4)c5ccc(F)cc5)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	""	""	3	3	3000383	""
"641284"	"641284"	""	"OC(=O)COc1ccc(C(=O)\C(=C\2/SSC(=C2)c3ccccc3Cl)\SS\C(=C/4\SSC(=C4)c5ccccc5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)c(Cl)c1Cl"	0	NA	NA	2	2	NA	""
"641285"	"641285"	"Disulfide, bis[1-[5-(2-methylphenyl)-3H-1,2-dithiole- 3-..."	"Cc1ccccc1C2=C\C(=C(/SS\C(=C/3\SSC(=C3)c4ccccc4C)\C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)\C(=O)c6ccc(OCC(=O)O)c(Cl)c6Cl)\SS2"	0	""	""	4	4	3000387	""
"641289"	"641289"	"2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole"	"Cc1cn2cc(nc2s1)c3ccncc3"	0	""	""	2	1	369509	""
"641290"	"641290"	"AB26777"	"Cc1csc2nc(cn12)c3ccncc3"	0	""	""	2	1	369510	""
"641291"	"641291"	"6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole"	"C1Cn2cc(nc2S1)c3ccncc3"	0	""	""	2	1	369511	""
"641292"	"641292"	"2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol"	"CSc1ccc(c(O)c1)c2cn3ccsc3n2"	0	""	""	2	1	369512	""
"641296"	"641296"	"antineoplastic-641296"	"CCCN(CCC)C1=S[Cu+2]2([ClH-])[N+](=Cc3cccc[n+]23)[N-]1"	0	NA	NA	7	3	NA	""
"641297"	"641297"	"antineoplastic-641297"	"CC1=[N+]2[N-]C(=S[Cu+2]2([ClH-])[n+]3ccncc13)N4CCCCCC4"	0	NA	NA	6	3	NA	""
"641298"	"641298"	"1,1-Diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea"	"CCN(CC)C(=S)N\N=C(/C)\c1ccccc1O"	0	""	""	1	1	135410267	""
"641317"	"641317"	"4-Amino-5-carbamoyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide"	"C[n+]1cn(CC(=O)c2ccccc2)c(C(=O)N)c1N"	0	""	""	1	1	369520	""
"641318"	"641318"	"antineoplastic-641318"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(NCCCC(OC(=O)C)OC(=O)C)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	24202346	""
"641319"	"641319"	"antineoplastic-641319"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(NCCCCC(OC(=O)C)OC(=O)C)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	1	24202347	""
"641377"	"641377"	"3-(3,4,5-Trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid"	"COc1cc(cc(OC)c1OC)c2nnc3SC(=CNn23)C(=O)O"	0	""	""	3	1	369522	""
"641378"	"641378"	"LS-129625"	"CN1N=CC2=C(Nc3ccccc3S2(=O)=O)C1=O"	0	""	""	1	1	369523	""
"641379"	"641379"	"2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid"	"OC(=O)CN(CC(=O)O)Cc1cc(cc(CN(CC(=O)O)CC(=O)O)n1)C#Cc2ccc(cc2)C#Cc3ccccc3"	0	""	""	3	2	369524	""
"641380"	"641380"	"Tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-ethynylpyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate"	"CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1)C#C"	0	""	""	1	1	369525	""
"641383"	"641383"	""	"CCOC(OC(=O)C)[C@H]1ON([C@@H](C)C=C1)c2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"641385"	"641385"	"3-[(Butan-2-yloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"CCC(C)OC(=O)C1C2CCC(O2)C1C(=O)O"	0	""	""	2	1	369528	""
"641386"	"641386"	"3-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"CCCCNC(=O)C1C2CCC(O2)C1C(=O)O"	0	""	""	1	1	369529	""
"641387"	"641387"	"3-(Piperidin-1-ylcarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"OC(=O)C1C2CCC(O2)C1C(=O)N3CCCCC3"	0	""	""	1	1	369530	""
"641389"	"641389"	"STK457912"	"Cc1onc(NC(=O)C2C3OC(C=C3)C2C(=O)O)c1"	0	""	""	1	1	369532	""
"641390"	"641390"	"3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid"	"Cc1ccc(NC(=O)C2C3CCC(O3)C2C(=O)O)cc1"	0	""	""	2	1	369533	""
"641393"	"641393"	"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-"	"O=C1c2ccccc2C(=O)c3c1ccc4c5ccccc5n(c6ccccc6)c34"	0	""	""	4	2	369536	""
"641394"	"641394"	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-phenyl-"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccccc5)c23"	0	""	""	3	3	369537	""
"641395"	"641395"	"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-"	"COc1ccc2[nH]c3c4C(=O)C=CC(=O)c4ccc3c2c1"	0	""	""	3	3	369538	""
"641396"	"641396"	"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11- methyl-"	"COc1ccc2c(c1)c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	4	4	369539	""
"641401"	"641401"	"6'-Methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione"	"CC1CCCC2(O1)OC3CC(=O)OC3C4=C2C(=O)c5ccccc5C4=O"	0	""	""	1	1	369540	""
"641404"	"641404"	"Methyl 2-[[3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-2-oxo-propanoyl]amino]benzoate"	"COC(=O)c1ccccc1NC(=O)C(=O)Cc2nc3c4C(=O)c5ccccc5C(=O)c4ccc3nc2O"	0	""	""	1	1	369543	""
"641405"	"641405"	"Naphtho[2,3-f]quinoxaline-3-acetic acid, 2-hydroxy- 7,12..."	"CCOC(=O)Cc1nc2ccc3C(=O)c4ccccc4C(=O)c3c2nc1O"	0	""	""	1	1	369544	""
"641408"	"641408"	""	"COC(=O)C(Cc1nc2ccccc2nc1O)\C(=N/NC(C)(C)C)\C(=O)Nc3c(C)cc(Br)cc3C"	0	NA	NA	1	1	NA	""
"641414"	"641414"	""	"CC(=O)c1ccc(NC(=O)\C(=N\NC(=O)N)\CC(=O)c2sc(nc2C)c3cccnc3)cc1"	0	NA	NA	1	1	NA	""
"641420"	"641420"	"Dimethyl 2-{[(2-methyl-5-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate"	"COC(=O)C(C(=O)C(=O)Nc1cc(ccc1C)[N+](=O)[O-])C(=O)C(=O)OC"	0	""	""	1	1	369556	""
"641424"	"641424"	"Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-"	"Oc1nc2ccc3C(=O)c4ccccc4C(=O)c3c2nc1CC(=O)C(=O)Nc5ccccc5[N+](=O)[O-]"	0	""	""	1	1	369560	""
"641431"	"641431"	"(2Z)-N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2-(methylhydrazinylidene)-4-oxobutanamide"	"CN\N=C(\CC(=O)c1sc(nc1C)n2nc(cc2c3ccccc3)c4ccccc4)/C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	9571292	""
"641435"	"641435"	"Methyl (3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate"	"COC(=O)C(\C(=N\N)\C(=O)Nc1cc(Cl)ccc1Cl)c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	9571294	""
"641444"	"641444"	"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-methyl-6-propan-2-ylphenyl)-2-oxoacetamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)NNC(=O)c2sc(NNC(=O)C)nc2C"	0	""	""	1	1	369575	""
"641445"	"641445"	"Methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoate"	"COC(=O)C(=O)C(\C(=N\N)\C(=O)Nc1ccccc1C(=O)N)c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	9571296	""
"641454"	"641454"	"antineoplastic-641454"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C"	0	""	""	5	2	5466704	""
"641457"	"641457"	"Azane;hexane-1,6-diamine;platinum(4+);propanedioate"	"N[Pt+2]1(NCCCCCCN[Pt+2]2(N)[O-]C(=O)CC(=O)[O-]2)[O-]C(=O)CC(=O)[O-]1"	0	""	""	2	1	24202350	""
"641458"	"641458"	"Platinum, N,N''-(1,6-hexanediyl)bis[diamino[2-ethyl- 1,3..."	"CCC1C(=O)[O-][Pt+2](N)(NCCCCCCN[Pt+2]2(N)[O-]C(=O)C(CC)C(=O)[O-]2)[O-]C1=O"	0	""	""	2	2	24202351	""
"641459"	"641459"	"Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)"	"N[Pt+2](NCCCCCCN[Pt+2](N)([O-]C(=O)CCl)[O-]C(=O)CCl)([O-]C(=O)CCl)[O-]C(=O)CCl"	0	""	""	1	1	24202352	""
"641461"	"641461"	"Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)"	"N[Pt+2](NCCCCCN[Pt+2](N)([O-]C(=O)CCl)[O-]C(=O)CCl)([O-]C(=O)CCl)[O-]C(=O)CCl"	0	""	""	1	1	24202354	""
"641465"	"641465"	"Platinum, N,N''-(1,9-nonanediyl)bis[diaminodichloro-, (S..."	"[Cl-][Pt+2]([Cl-])(N)NCCCCCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	NA	NA	2	2	NA	""
"641467"	"641467"	""	"[Cl-][Pt+2]([Cl-])(N)NCCCCCCCCCCCCN[Pt+2]([Cl-])([Cl-])N"	0	NA	NA	1	1	NA	""
"641484"	"641484"	"(Z)-3,4,5-Trimethoxy-4'-ethylstilbene"	"CCc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	5466706	""
"641522"	"641522"	"5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone"	"COc1cc(CC=C)cc(C(=O)\C=C\c2ccc(OC)c(OC)c2)c1O"	0	""	""	1	1	5459194	""
"641533"	"641533"	"Cyclobutane, 3,3,4,4-tetrachloro- 1,2-bis(dichloromethyl..."	"ClC(=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl)Cl"	0	""	""	4	3	369620	""
"641536"	"641536"	"Quinoline-3-carboxylic acid, 6-chloro-4-phenyl- 2-[(pipe..."	"CCOC(=O)c1c(CN2CCNCC2)nc3ccc(Cl)cc3c1c4ccccc4"	0	""	""	3	1	369623	""
"641541"	"641541"	"2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole"	"COc1c(Br)cc(Br)c(OC)c1c2ccc[nH]2"	0	""	""	1	1	369631	""
"641548"	"641548"	"Betuletol"	"COc1ccc(cc1)C2=C(O)C(=O)c3c(O)c(OC)c(O)cc3O2"	0	""	""	3	2	5459196	""
"641594"	"641594"	"3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione"	"Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)c4ccccc4"	0	""	""	5	4	369639	""
"641595"	"641595"	"2-Methyl-N-(2-methylphenyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide"	"Cc1oc2C(=O)c3ccccc3C(=O)c2c1C(=O)Nc4ccccc4C"	0	""	""	2	2	369640	""
"641596"	"641596"	"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone"	"OC(C(=O)c1nc2ccc(Cl)cc2nc1O)c3ccccc3"	0	""	""	1	1	369641	""
"641603"	"641603"	""	"OC(\C(=N/NC(=O)Cc1ccccc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])c4ccccc4Cl"	0	NA	NA	1	1	NA	""
"641604"	"641604"	"(2Z)-2-[(4-Methylphenyl)sulfonylhydrazinylidene]-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-N-(3-nitrophenyl)acetamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C(/C(=O)Nc2cccc(c2)[N+](=O)[O-])\c3nc4ccc(cc4nc3O)[N+](=O)[O-]"	0	""	""	1	1	135499161	""
"641607"	"641607"	"3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one"	"COc1ccc(cc1)C(C2C(=O)Oc3ccccc23)\C(=N/O)\c4ccc(OC)cc4"	0	""	""	1	1	5929993	""
"641609"	"641609"	""	"Cc1ccc(cc1)S(=O)(=O)N\N=C(/C(O)c2ccc(cc2)C(O)\C(=N/NS(=O)(=O)c3ccc(C)cc3)\c4nc5ccc(cc5nc4O)[N+](=O)[O-])\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"641613"	"641613"	"1-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine"	"NC(=N)N\N=C(\C(O)c1ccc(cc1)[N+](=O)[O-])/C2=Nc3ccc(cc3NC2=O)[N+](=O)[O-]"	0	""	""	1	1	135499166	""
"641617"	"641617"	""	"CN(C)\N=C(/C(O)c1occc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"641626"	"641626"	"Benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino-, 2-..."	"CC(C)C(OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl)C(C)C"	0	""	""	2	1	3001012	""
"641691"	"641691"	"vicenistatin"	"CNC1C(O)CC(OC2C\C=C(/C)\C\C(=C\C=C\CCC(C)CNC(=O)\C=C\C=C\C2C)\C)OC1C"	0	NA	NA	5	3	NA	"150999056"
"641717"	"641717"	"(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid"	"CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1"	0	""	""	2	1	369700	""
"641756"	"641756"	"2-[(E)-[1-[3-(4-Methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4C(=O)O)c2c5ccccc5)cc1"	0	""	""	1	1	369709	""
"641810"	"641810"	"(1R,8S)-8-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione"	"O[C@H]1C2CC=CC3C2[C@@H](OC3=O)C4=C1C(=O)C=CC4=O"	0	""	""	2	2	369716	""
"641818"	"641818"	"7-Chloro-3-[3-[4-[2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-oxoethyl]phenyl]-3-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one"	"OC(C(=C)C1=Nc2ccc(Cl)cc2NC1=O)c3ccc(cc3)C(O)C(=O)C4=Nc5ccc(Cl)cc5NC4=O"	0	""	""	2	2	369723	""
"641820"	"641820"	"4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one"	"CC(C)(C)NNC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	4585482	""
"641821"	"641821"	"Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate"	"COC(=O)NNC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	3822841	""
"641822"	"641822"	"4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one"	"ONC1=C(C=NN(C1=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	3	2	3699706	""
"641845"	"641845"	"STK044062"	"C\C(=N\NC(=S)N)\CC(=O)Nc1ccc(Cl)cc1"	0	""	""	1	1	5981635	""
"641860"	"641860"	"(3E)-N-(3-Nitrophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride"	"C\C(=N/NC(=O)C[n+]1ccccc1)\CC(=O)Nc2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	9571666	""
"641991"	"641991"	"Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate"	"CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc2nc3ccccc3nc2O)C(=O)OC"	0	""	""	1	1	369798	""
"641994"	"641994"	""	"COC(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1)\C(=N\NC(=O)N)\C(=O)OC"	0	NA	NA	2	1	NA	""
"641995"	"641995"	"Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate"	"COC(=O)C(CCS(=O)(=O)CC(=O)C(=O)Nc1cccc(c1)C(=O)C)C(=O)OC"	0	""	""	2	1	369802	""
"642009"	"642009"	"Butanedioic acid, 2-[[2-[(3-chloro-1,4-dihydro-1,4-dioxo..."	"NC1=C(Cl)C(=O)c2ccccc2C1=O"	0	NA	NA	3	2	NA	"2797515"
"642021"	"642021"	"4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide"	"O=C(Nc1ccccc1C#N)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5"	0	""	""	1	1	369825	""
"642024"	"642024"	"N-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	"Clc1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5)cc1Cl"	0	""	""	1	1	369827	""
"642026"	"642026"	"N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide"	"CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5"	0	""	""	1	1	369829	""
"642038"	"642038"	""	"[O-][N+](=O)C(\C(=N\NC(=O)c1ccncc1)\C(=O)Nc2ccc(cc2C#N)[N+](=O)[O-])c3cnc4ccc(cc4n3)[N+](=O)[O-]"	0	NA	NA	4	3	NA	""
"642049"	"642049"	"Acetamide, N-(3-acetylphenyl)-2-[(4-amino-5-mercapto- 4H..."	"CC(=O)c1cccc(NC(=O)C(=O)NNc2nnc(S)n2N)c1"	0	""	""	3	3	3000679	""
"642051"	"642051"	"Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c2nc3ccccc3nc2O"	0	""	""	1	1	369854	""
"642054"	"642054"	"[2-[(2E)-2-[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"CCOc1ccc2nc(NC(=O)C3=C\C(=N/NC(=O)C[N+](C)(C)C)\c4ccc(O)cc4O3)sc2c1"	0	""	""	2	2	135483956	""
"642057"	"642057"	""	"COC(=O)C(=O)C(C(=O)C1=NS(=O)(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N)c3nc4ccc(cc4nc3O)C(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"642061"	"642061"	"Propanamide, N-(2-chloro-1,4-dioxo-3-naphthalenyl)-3-cya..."	"C[N+](C)(C)CC(=O)N\N=C(\C(C#N)c1nc(cs1)c2ccc(cc2)[N+](=O)[O-])/C(=O)NC3=C(Cl)C(=O)c4ccccc4C3=O"	0	""	""	5	4	9574385	""
"642069"	"642069"	"N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide"	"Brc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1"	0	""	""	1	1	369876	""
"642071"	"642071"	"N-[(E)-1-[2-[5-[(E)-N-Anilino-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]aniline"	"C\C(=N/Nc1ccccc1)\c2sc(nc2C)c3nc(C)c(s3)\C(=N\Nc4ccccc4)\C"	0	""	""	2	1	9555852	""
"642075"	"642075"	"N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide"	"COc1ccc(CNc2nc3c(NC(=O)C)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	369881	""
"642077"	"642077"	"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	"COc1cc(CNc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	369883	""
"642079"	"642079"	"Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCCC"	0	""	""	1	1	369885	""
"642099"	"642099"	"Longikaurin B"	"CC(=O)OCC1(C)CCCC23CO[C@@](O)([C@@H](O)[C@H]12)C45[C@H](O)[C@H](CC[C@@H]34)C(=C)C5=O"	0	NA	NA	3	3	NA	""
"642195"	"642195"	"4-O-Benzyl 2-O-ethyl 5-[[(5-ethoxycarbonyl-4-methyl-3-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate"	"CCOC(=O)c1[nH]c(CN(C)Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCc3ccccc3)c(C(=O)OCc4ccccc4)c1C"	0	""	""	1	1	369904	""
"642198"	"642198"	"antineoplastic-642198"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O"	0	NA	NA	7	5	NA	""
"642276"	"642276"	"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4cccc(N)c4)c5cc6OCOc6cc25"	0	""	""	2	2	369909	""
"642277"	"642277"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(N)c4)c5cc6OCOc6cc25"	0	""	""	2	2	369910	""
"642278"	"642278"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(c4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	369911	""
"642279"	"642279"	"(5S,8Ar,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccccc4)c5cc6OCOc6cc25"	0	""	""	2	2	369912	""
"642280"	"642280"	"(5R,8As,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@@H]2[C@H]3C(COC3=O)[C@@H](NCc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	369913	""
"642281"	"642281"	"(5R,8As,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@@H]2[C@H]3C(COC3=O)[C@@H](NCc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	369914	""
"642282"	"642282"	"(5S,8Ar,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4cccc(F)c4)c5cc6OCOc6cc25"	0	""	""	1	1	369915	""
"642283"	"642283"	"(5S,8Ar,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccccc4F)c5cc6OCOc6cc25"	0	""	""	1	1	369916	""
"642284"	"642284"	"4-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	369917	""
"642285"	"642285"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	1	1	369918	""
"642286"	"642286"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	369919	""
"642287"	"642287"	"3-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NCc4cccc(c4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	369920	""
"642288"	"642288"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	369921	""
"642289"	"642289"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(F)c4)c5cc6OCOc6cc25"	0	""	""	1	1	369922	""
"642290"	"642290"	"4-Acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)C(=O)C)c5cc6OCOc6cc25"	0	""	""	1	1	369923	""
"642291"	"642291"	"[4-[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(OC(=O)C)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	369924	""
"642292"	"642292"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4ccc(cc4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	369925	""
"642293"	"642293"	"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](NC(=O)c4cccc(c4)C#N)c5cc6OCOc6cc25"	0	""	""	1	1	369926	""
"642294"	"642294"	"ANTINEOPLASTIC-642294"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	369927	""
"642295"	"642295"	"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@H](OC(=O)c4ccc(N)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	369928	""
"642296"	"642296"	"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"COC(C)(C)[C@H](O)C(O)CC(C)[C@@H]1CCC23CC12CCC4[C@@]5(C)CCC(OC(=O)C)C(C)(C)C5CC(OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	2	1	369929	""
"642297"	"642297"	"[6-[[(2R,10S,15S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"CC(CC(O)[C@@H](O)C(C)(C)O)[C@@H]1CCC23CC12CCC4[C@@]5(C)CCC(OC(=O)C)C(C)(C)C5CC(OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	2	1	369930	""
"642300"	"642300"	"[6-[[(2R,10S,15S)-15-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate"	"CC(CC(O)C1OC1(C)C)[C@@H]2CCC34CC23CCC5[C@@]6(C)CCC(O)C(C)(C)C6CC(OC7OC(COC(=O)C)C(O)C(O)C7O)[C@@]45C"	0	""	""	2	1	369933	""
"642306"	"642306"	"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccccc4"	0	""	""	1	1	369939	""
"642308"	"642308"	"[4-[(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(OC(=O)C)cc4"	0	""	""	1	1	369941	""
"642309"	"642309"	"Colchicine analog"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4cc(O)c(O)c(O)c4"	0	""	""	1	1	369942	""
"642310"	"642310"	"4-Cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide"	"CSC1=CC=C2C(=CC1=O)C(CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(cc4)C#N"	0	""	""	1	1	369943	""
"642311"	"642311"	"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	"CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(O)c(O)c(O)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	369944	""
"642312"	"642312"	"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide"	"CCCCCC(=O)NC1CCc2cc(O)c(O)c(O)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	1	369945	""
"642313"	"642313"	"ANTINEOPLASTIC-642313"	"COc1cc2CCC(NC(=O)c3ccc(F)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	1	369946	""
"642314"	"642314"	"ANTINEOPLASTIC-642314"	"COc1cc2CCC(NC(=O)c3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	1	369947	""
"642315"	"642315"	"ANTINEOPLASTIC-642315"	"COc1cc2CCC(NC(=O)c3ccc(OC(=O)C)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	369948	""
"642316"	"642316"	"ANTINEOPLASTIC-642316"	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24"	0	""	""	2	2	369949	""
"642317"	"642317"	"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide"	"CCCCCCCCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	369950	""
"642319"	"642319"	"ANTINEOPLASTIC-642319"	"CCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	2	2	369952	""
"642320"	"642320"	"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide"	"CCCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	1	1	369953	""
"642321"	"642321"	"LMPK12113341"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	2	2	369954	""
"642322"	"642322"	"5-[(5S,8Ar)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione"	"COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)[N+](=O)[O-])c5cc6OCOc6cc25"	0	""	""	2	2	369955	""
"642323"	"642323"	"Ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate"	"CCOC(=O)c1ccc(N[C@H]2C3COC(=O)[C@@H]3C(C4=CC(=O)C(=O)C(=C4)OC)c5cc6OCOc6cc25)cc1"	0	""	""	2	2	369956	""
"642324"	"642324"	"5-[(5S,8Ar)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione"	"COC1=CC(=CC(=O)C1=O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	2	2	369957	""
"642328"	"642328"	"Benzonitrile, 4-[[1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy- ..."	"COc1cc2[C@@H](Nc3ccc(cc3)C#N)C4COC(=O)[C@@H]4C(c5cc(OC)c(O)c(OC)c5)c2cc1OC"	0	NA	NA	2	2	NA	"138355961"
"642329"	"642329"	"Naphtho[2,3-c]furan-1(9a)-one, 3,3a,4,9-tetrahydro-4- (4..."	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(F)cc4)c5cc(OC)c(OC)cc25"	0	""	""	2	2	369962	""
"642393"	"642393"	""	""	0	NA	NA	1	1	NA	""
"642396"	"642396"	""	""	0	NA	NA	2	2	NA	""
"642397"	"642397"	""	""	0	NA	NA	2	2	NA	""
"642398"	"642398"	""	""	0	NA	NA	2	2	NA	""
"642399"	"642399"	""	""	0	NA	NA	2	2	NA	""
"642400"	"642400"	""	""	0	NA	NA	2	2	NA	""
"642401"	"642401"	""	""	0	NA	NA	2	2	NA	""
"642402"	"642402"	""	""	0	NA	NA	2	2	NA	""
"642403"	"642403"	""	""	0	NA	NA	1	1	NA	""
"642405"	"642405"	""	""	0	NA	NA	1	1	NA	""
"642407"	"642407"	""	""	0	NA	NA	1	1	NA	""
"642408"	"642408"	""	""	0	NA	NA	2	1	NA	""
"642409"	"642409"	""	""	0	NA	NA	3	3	NA	""
"642410"	"642410"	""	""	0	NA	NA	5	2	NA	""
"642418"	"642418"	""	""	0	NA	NA	1	1	NA	""
"642481"	"642481"	""	"OC(CN1CCC(CC1)c2ccccc2)Cc3cccc4ccccc34"	0	NA	NA	1	1	NA	""
"642492"	"642492"	"O-Chloroacetylcarbamoylfumagillol"	"CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C)OC(=O)NC(=O)CCl"	0	NA	NA	10	2	NA	"129298915"
"642498"	"642498"	""	"CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"642517"	"642517"	"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one"	"CN1C(=O)C(=C(O)c2ccccc12)C(C3=C(O)c4ccccc4N(C)C3=O)c5ccccc5"	0	""	""	1	1	54687020	""
"642520"	"642520"	"STK687015"	"OC1=C(C(C2=C(O)c3ccccc3N(C2=O)c4ccccc4)c5ccc(Cl)cc5)C(=O)N(c6ccccc6)c7ccccc17"	0	""	""	1	1	54687023	""
"642523"	"642523"	"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one"	"OC1=C(C(C2=C(O)c3ccccc3N(C2=O)c4ccccc4)c5ccc(cc5)[N+](=O)[O-])C(=O)N(c6ccccc6)c7ccccc17"	0	""	""	1	1	54687025	""
"642565"	"642565"	"N-(3-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide"	"Clc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(s2)c3ccccc3)c1"	0	""	""	1	1	370001	""
"642570"	"642570"	""	"CCOc1ccc(cc1)N=Nc2ccc3OC(=O)C(=Cc3c2)\C(=N/NC(=O)CC(=O)Nc4ccc(Cl)cc4)\C"	0	NA	NA	1	1	NA	""
"642572"	"642572"	""	"COc1cccc(NC(=O)CC(=O)NN2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4cc(ccc4Cl)[N+](=O)[O-])c1"	0	NA	NA	1	1	NA	""
"642576"	"642576"	""	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)N\C(=C/c2ccc(cc2)N(CCC#N)CCC#N)\C(=O)Nc3ccccc3"	0	NA	NA	1	1	NA	""
"642581"	"642581"	"N-[(Z)-1-[4-[Bis(2-cyanoethyl)amino]phenyl]-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide"	"COc1ccc(NC(=O)\C(=C\c2ccc(cc2)N(CCC#N)CCC#N)\NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])cc1"	0	""	""	1	1	6477309	""
"642592"	"642592"	"2,6-diNO2Ph-SO2-Ph"	"[O-][N+](=O)c1cccc(c1S(=O)(=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	370024	""
"642594"	"642594"	""	"CCN1CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	""
"642595"	"642595"	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(OC)cc2)c3ccc(OC)cc3"	0	NA	NA	1	1	NA	""
"642596"	"642596"	"3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide"	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccccc2)c3ccccc3"	0	""	""	4	4	370031	""
"642597"	"642597"	"Piperidinium, 1-ethyl-4-hydroxy-4-(4-methoxyphenyl)- 3-[..."	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccc(OC)cc2)c3ccc(OC)cc3"	0	""	""	3	1	370033	""
"642600"	"642600"	"[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxyoxan-2-yl]methyl 11-[(1-nitro-9-oxo-10H-acridine-4-carbonyl)am"	"CC(C)C(NC(=O)C(C)OC1C(O)C(COC(=O)CCCCCCCCCCNC(=O)c2ccc(c3C(=O)c4ccccc4Nc23)[N+](=O)[O-])OCC1NC(=O)C)C(=O)NC(CCC(=O)N)C(=O)OCc5ccccc5"	0	""	""	4	2	3774228	""
"642614"	"642614"	""	"C\C(=N\NC(=O)C[N+](C)(C)C)\CC(=O)Nc1ccc(Cl)c(Cl)c1"	0	NA	NA	1	1	NA	""
"642624"	"642624"	""	"OC(=O)\C(=C\C=C\c1ccccc1)\c2csc(n2)c3nc(cs3)\C(=C/C=C/c4ccccc4)\C(=O)O"	0	NA	NA	1	1	NA	""
"642626"	"642626"	""	"OC(=O)\C(=C\c1c(O)ccc2ccccc12)\c3csc(n3)c4nc(cs4)\C(=C/c5c(O)ccc6ccccc56)\C(=O)O"	0	NA	NA	1	1	NA	""
"642638"	"642638"	"7-Chloro-3-[hydroxy(3-nitrophenyl)acetyl]quinoxalin-2(1H)-one"	"OC(C(=O)C1=Nc2ccc(Cl)cc2NC1=O)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	370079	""
"642640"	"642640"	"[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea"	"Cc1nc(sc1\C(=N\NC(=S)N)\C=C\c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	5932655	""
"642641"	"642641"	""	"Cc1nc(sc1\C(=N\NC(=S)NN)\C=C/c2ccc(cc2)[N+](=O)[O-])n3nc(cc3c4ccccc4)c5ccccc5"	0	NA	NA	2	1	NA	""
"642642"	"642642"	"3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-"	"ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2"	0	NA	NA	3	2	NA	"1698539"
"642645"	"642645"	""	"NC(=S)N\N=C(/C(=O)Nc1cccc(c1)[N+](=O)[O-])\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"642649"	"642649"	"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone"	"OC(C(=O)c1nc2ccc(Cl)cc2nc1O)c3ccc4OCOc4c3"	0	""	""	1	1	370089	""
"642651"	"642651"	""	"CN\N=C(/C(O)c1ccc(cc1)C(O)\C(=N/NC)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])\c4nc5ccc(cc5nc4O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"642704"	"642704"	"S-N-(Phenethylthiocarbamoyl)-L-glutathione"	"Cc1ccc(CCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1"	0	NA	NA	2	2	NA	""
"642728"	"642728"	"4a-Chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione"	"CCN1C2=NC(=O)N(C)C(=O)C2(Cl)C(C(SC)S(=O)(=O)c3ccc(C)cc3)c4ccccc14"	0	""	""	1	1	370138	""
"642738"	"642738"	""	"CCOC(=O)[C@]12C3CC(C=C3)C1C(=O)C4OC24"	0	NA	NA	1	1	NA	""
"642740"	"642740"	"4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-..."	"CN1CCC(C(O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	""	""	2	2	5466794	""
"642899"	"642899"	"Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium"	"COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCCCCCCCCOc5cc6c7cc(OC)c(OC)cc7c[n+](C)c6c8cc(OC)c(OC)cc58)cc3c2cc1OC"	0	""	""	1	1	24202359	""
"642904"	"642904"	"7-Methyl-coumarin-4-acetic acid"	"Cc1ccc2C(=CC(=O)Oc2c1)CC(=O)O"	0	""	""	1	1	370162	""
"642908"	"642908"	""	"COC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)N(CCCl)N=O"	0	NA	NA	1	1	NA	""
"642910"	"642910"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate"	"COC1OC(CO)C(O)C(OC(=O)C)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	370166	""
"642911"	"642911"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl dodecanoate"	"CCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	370167	""
"642912"	"642912"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl tetradecanoate"	"CCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	370168	""
"642913"	"642913"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] tetradecanoate"	"CCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	370169	""
"642914"	"642914"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octadecanoate"	"CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	1	1	370170	""
"642915"	"642915"	"Neuro_000320"	"CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(OC1C2O)N(CCCl)CCCl"	0	""	""	3	3	370171	""
"642916"	"642916"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hexadecanoate"	"CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O"	0	""	""	1	1	370172	""
"642932"	"642932"	""	"CCOC(=O)C1Nc2ccccc2[C@H]3OCC[C@@H]13"	0	NA	NA	1	1	NA	""
"642938"	"642938"	""	"CCOC(=O)[C@H]1Nc2ccccc2C3C1Cc4ccccc34"	0	NA	NA	1	1	NA	""
"642940"	"642940"	""	"CCOC(=O)[C@H]1Nc2ccc(cc2C3C1Cc4ccccc34)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"642942"	"642942"	""	"CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])C3C1Cc4ccccc34"	0	NA	NA	1	1	NA	""
"642947"	"642947"	"Methanone, [3-(dibromomethyl)-6-chloroquinolin-2-yl] phe..."	"Clc1ccc2nc(C(=O)c3ccccc3)c(cc2c1)C(Br)Br"	0	""	""	4	2	370203	""
"642948"	"642948"	"(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone"	"Clc1ccc(Cl)c2nc(C(=O)c3ccccc3)c(cc12)C(Br)Br"	0	""	""	1	1	370204	""
"642950"	"642950"	"(8-Hydroxy-2-quinolinyl)(phenyl)methanone"	"Oc1cccc2ccc(nc12)C(=O)c3ccccc3"	0	""	""	1	1	370206	""
"642951"	"642951"	"(8-Methoxy-2-quinolinyl)(phenyl)methanone"	"COc1cccc2ccc(nc12)C(=O)c3ccccc3"	0	""	""	1	1	370207	""
"642953"	"642953"	"(6-Methoxy-3-methylquinolin-2-yl)(phenyl)methanone"	"COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1"	0	""	""	2	2	370209	""
"642954"	"642954"	"(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone"	"Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c3ccccc3"	0	""	""	2	1	370210	""
"642956"	"642956"	""	"O=C([C@H]1Nc2cnccc2C3C1Cc4ccccc34)c5ccccc5"	0	NA	NA	2	2	NA	""
"642957"	"642957"	""	"Clc1ccc2N[C@@H]([C@@H]3CCC[C@@H]3c2c1)C(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"642964"	"642964"	"4-Hydroxybenzo[b]acridine-6,11-dione"	"Oc1cccc2cc3C(=O)c4ccccc4C(=O)c3nc12"	0	""	""	1	1	370220	""
"642968"	"642968"	"Benzo[g]quinoline-5,10-dione, 5,10-dihydro- 4-[2-(1-pipe..."	"O=C1c2ccccc2C(=O)c3c(\C=C\N4CCCCC4)ccnc13"	0	NA	NA	5	5	NA	""
"642970"	"642970"	"1,2,3-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-S-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thiohexopyranose"	"CC(=O)OCC1OC(OC2C(CSC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)OC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	370226	""
"642998"	"642998"	"6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine"	"Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc3ccccc3O1"	0	""	""	1	1	370228	""
"642999"	"642999"	"4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide"	"O=S(=O)(CC1=NC2C=CC=CC2N=C1)NCc3ccccc3"	0	""	""	1	1	370229	""
"643000"	"643000"	"2-(1H-imidazol-2-ylmethyl)-4-(1H-imidazol-4-ylmethyl)-1H..."	"C(c1c[nH]cn1)c2c[nH]c(Cc3ncc[nH]3)n2"	0	""	""	1	1	370230	""
"643001"	"643001"	"antineoplastic-643001"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	NA	NA	4	3	NA	""
"643004"	"643004"	""	"C[C@@]12[Se]c3ccccc3[C@]1(C)[Se]c4ccccc24"	0	NA	NA	1	1	NA	""
"643006"	"643006"	"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octanoate"	"CCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O"	0	""	""	2	1	370236	""
"643019"	"643019"	"Triethyl-o-bromo-.alpha.-phosphono-cinnamate"	"CCOC(=O)\C(=C\c1ccccc1Br)\P(=O)(OCC)OCC"	0	""	""	1	1	6477312	""
"643023"	"643023"	".alpha.-Phenyl-2,5-dimethoxy-.alpha.-cinnamonitrile"	"COc1ccc(OC)c(\C=C(\C#N)/c2ccccc2)c1"	0	NA	NA	1	1	NA	""
"643025"	"643025"	"2-(2,5-Dimethoxybenzylidene)-1-tetralone"	"COc1ccc(OC)c(\C=C\2/CCc3ccccc3C2=O)c1"	0	NA	NA	1	1	NA	""
"643026"	"643026"	"Diethyl 2,5-dimethoxybenzylidene-malonate"	"CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC"	0	""	""	1	1	81758	""
"643027"	"643027"	"Diethyl p-phenoxybenzalmalonate"	"CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC"	0	""	""	3	1	370253	""
"643032"	"643032"	"m-Phenoxy-.alpha.-phenylcinnamonitrile"	"N#C\C(=C\c1cccc(Oc2ccccc2)c1)\c3ccccc3"	0	NA	NA	1	1	NA	""
"643045"	"643045"	"3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol"	"Cc1ccc(cc1)C2=C(c3ccccc3)C(O)(C(=C2c4ccc(C)cc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	370267	""
"643046"	"643046"	"1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol"	"Cc1ccc(cc1)C2=C(c3ccccc3)C(O)(C(=C2c4ccc(C)cc4)c5ccccc5)c6ccc(C)cc6"	0	""	""	1	1	370268	""
"643048"	"643048"	"ZSUDSCKIBFDILN-UHFFFAOYSA-N"	"Cc1ccc(cc1)C2=C(C(=C(C2=O)c3ccc(C)cc3)c4ccc(C)cc4)c5ccc(C)cc5"	0	""	""	1	1	370270	""
"643051"	"643051"	"2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydroc..."	"Clc1ccc2c(c1)[nH]c3c2nc4ccccn34"	0	NA	NA	1	1	NA	""
"643123"	"643123"	"Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydro-2H-pyrido[4,3-b]carbazole-2-carboxylate"	"COC(=O)N1CC2=C(C)C3C(Nc4ccccc34)C(=C2C=C1)C"	0	""	""	1	1	370277	""
"643125"	"643125"	"9-Hydroxy-2,5,11-trimethyl-10-(2,2,2-trifluoroethoxy)-6h-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c1[nH]c4ccc(O)c(OCC(F)(F)F)c34"	0	""	""	1	1	370279	""
"643133"	"643133"	""	"Clc1ccc(\C=C(/C(=O)c2ccccc2)\c3ccccc3)cc1"	0	NA	NA	1	1	NA	""
"643134"	"643134"	"4-[(E)-3-oxo-2,3-diphenyl-prop-1-enyl]benzonitrile"	"O=C(\C(=C\c1ccc(cc1)C#N)\c2ccccc2)c3ccccc3"	0	""	""	2	1	5466802	""
"643139"	"643139"	"5-Nitrofurylmalonic acid diethyl ester"	"CCOC(=O)C(C(=O)OCC)c1oc(cc1)[N+](=O)[O-]"	0	""	""	2	2	370288	""
"643158"	"643158"	"Triethyl-(3-thiofuryl)-phosphono acetate"	"CCOC(=O)C(c1ccsc1)P(=O)(OCC)OCC"	0	""	""	1	1	370303	""
"643180"	"643180"	"3,4,5-Trimethoxybenzylidene acetophenone"	"COc1cc(\C=C\C(=O)c2ccccc2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"643190"	"643190"	"3-Methoxy-4-benzyloxy-.alpha.-benzoylcinnamonitrile"	"COc1cc(\C=C(/C#N)\C(=O)c2ccccc2)ccc1OCc3ccccc3"	0	""	""	1	1	6062847	""
"643194"	"643194"	"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline"	"Cc1ccc(NP(=O)(Oc2ccccc2)N(CCCl)CCCl)cc1"	0	""	""	1	1	370335	""
"643238"	"643238"	"Oxytakatonine Iodide"	"COc1ccc(cc1)C(=O)c2c3cc(OC)c(OC)c(OC)c3cc[n+]2C"	0	""	""	1	1	370338	""
"643248"	"643248"	"23,27-Epoxy-3H-pyrido[2,1-c] [1,4]oxaazacyclohentriacont..."	"CCN(CC)CCC(=O)O[C@H]1CC[C@H](CC(C)[C@H]2CC(=O)C(C)\C=C(/C)\[C@H](OC(=O)CCN(CC)CC)C(OC)C(=O)[C@@H](C)CC(C)\C=C\C=C\C=C(/C)\C(CC3CC[C@H](C)[C@](O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CC1OC"	0	""	""	11	4	54600729	""
"643342"	"643342"	"Pyrophen"	"COC1=CC(=O)OC(=C1)C(Cc2ccccc2)NC(=O)C"	0	""	""	1	1	370342	""
"643406"	"643406"	"Xestoquinone"	"C[C@]12CCCc3coc(C(=O)c4cc5C(=O)C=CC(=O)c5cc14)c23"	0	""	""	2	1	122838	""
"643407"	"643407"	"Halenaquinone"	"C[C@]12CCC(=O)c3coc(C(=O)c4cc5C(=O)C=CC(=O)c5cc14)c23"	0	""	""	3	2	370346	""
"643412"	"643412"	""	"[R]Br.Cn1c2ccccc2c3ccc4C(=O)C(Br)C(Br)C(=O)c4c13"	0	NA	NA	3	3	NA	""
"643416"	"643416"	""	"COc1ccc(cc1)N2C(=O)[C@H]3CC(C)c4c([nH]c5ccccc45)[C@H]3C2=O"	0	NA	NA	5	4	NA	""
"643419"	"643419"	""	"COC(=O)[C@H]1[C@@H]2[C@H](Cc3c1[nH]c4ccccc34)c5ccccc5NC2=O"	0	NA	NA	2	1	NA	""
"643439"	"643439"	"5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium"	"[O-][n+]1c(c2ccccc2)c3nc4ccccc4nc3c5ccccc15"	0	""	""	1	1	467007	""
"643476"	"643476"	"[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide"	"CCOCN1COCN/C/1=N/C#N"	0	""	""	1	1	370384	""
"643486"	"643486"	"1,1,3,3-Tetrabenzyl-2-cyanoguanidine"	"N#CN=C(N(Cc1ccccc1)Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	""	""	1	1	370392	""
"643491"	"643491"	"Urea, N,N''-methylenebis[N,N'-diethyl-"	"CCNC(=O)N(CC)CN(CC)C(=O)NCC"	0	""	""	1	1	370395	""
"643498"	"643498"	"N-Methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide"	"CNS(=O)(=O)NN(C)S(=O)(=O)c1ccccc1"	0	""	""	1	1	370399	""
"643547"	"643547"	"Spiroirida-15(28),16-dienal, 14,15-dihydro- 26(R),29-dih..."	"CC(=CCC\C(=C\C=C\C(=C)[C@H]1CCC2([C@H]1O)[C@H](CCCO)\C(=C(\C)/C=O)\CC[C@]2(C)O)\CO)C"	0	NA	NA	1	1	NA	""
"643590"	"643590"	"4-Chloro-N-(4-methylphenyl)-N-[3-[4-[(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide"	"Cc1ccc(cc1)N(C(=O)CC(=O)N2N=C(C(N=Nc3ccc(cc3)[N+](=O)[O-])C2=O)c4ccccc4)C(=O)c5ccc(Cl)cc5"	0	""	""	2	2	370459	""
"643591"	"643591"	"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccc(Cl)cc4)c2c5ccccc5)cc1"	0	""	""	1	1	370460	""
"643593"	"643593"	"3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide"	"Cc1ccc(NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4Cl)c2c5ccccc5)cc1"	0	""	""	2	1	370462	""
"643596"	"643596"	"N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide"	"Clc1ccc(NC(=O)C2=Cc3cc(ccc3OC2=O)N=Nc4ccccc4Cl)cc1"	0	""	""	1	1	370465	""
"643599"	"643599"	"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide"	"COc1ccc(cc1)\N=C/c2ccc(cc2C)N(CCC#N)S(=O)(=O)c3ccccc3"	0	""	""	1	1	370469	""
"643713"	"643713"	"1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline"	"COc1ccc(cc1)C2=NN(C(=O)C)c3nc4ccccc4nc3O2"	0	""	""	1	1	370491	""
"643724"	"643724"	"1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol"	"CCCCCCC(O)CC[C@H]1CCC[C@@H](C)N1"	0	""	""	2	1	370503	""
"643735"	"643735"	"1,2-Benzo-8-(D,L-alanyl)-3-phenoxazone nitrate salt"	"NC(Cc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1)C(=O)O"	0	""	""	6	5	5459200	"154804065"
"643736"	"643736"	"(5Z)-3-(4-Bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one"	"C\C(=C/1\N=C(N(C1=O)c2ccc(Br)cc2)c3cc(ccc3Cl)[N+](=O)[O-])\C4=Cc5ccccc5OC4=O"	0	""	""	1	1	3001637	""
"643737"	"643737"	"(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitrophenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one"	"C\C(=C/1\N=C(N(C2=CC=C(Cl)CC2)C1=O)c3cc(ccc3Cl)[N+](=O)[O-])\C4=Cc5ccccc5OC4=O"	0	""	""	1	1	3004300	""
"643740"	"643740"	"3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile"	"C\C(=C/1\N=C(N(C1=O)c2ccc(Br)cc2)c3cc(ccc3Cl)[N+](=O)[O-])\c4ccc(cc4C)N(CCC#N)CCC#N"	0	""	""	1	1	3004303	""
"643757"	"643757"	"Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate"	"CCCCCCCCCCCCn1nc(C)c(C(=S)SCCCCCCCC)c1O"	0	""	""	2	1	370530	""
"643761"	"643761"	"AT-417/43484827"	"CC1=NN(C(=O)C1=C2SCCS2)c3ccccc3"	0	""	""	2	1	370534	""
"643769"	"643769"	"o-Bromo-.alpha.-benzoyl cinnamonitrile"	"Brc1ccccc1\C=C(/C#N)\C(=O)c2ccccc2"	0	""	""	2	2	6061570	""
"643779"	"643779"	""	"CCOC(=O)\C(=C\c1ccc(cc1)C#N)\N(CC)CC"	0	NA	NA	1	1	NA	""
"643812"	"643812"	"antineoplastic-643812"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	NA	NA	6	3	NA	""
"643813"	"643813"	"3'-O-(Carboxymethyl)-(Z)-Combretastatin 4-A, Na salt, hy..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)O"	0	NA	NA	5	4	NA	""
"643826"	"643826"	"8-Aza-3,5-dioxa-4-phosphahexacosan-1-aminium, 4-hydroxy-..."	"CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)(O)OCC[N+](C)(C)C"	0	""	""	4	3	131966	""
"643827"	"643827"	"8-Aza-3,5-dioxa-4-phosphahexacosan-1-aminium, 4-hydroxy-..."	"CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)(O)OCC[N+](C)(C)C"	0	""	""	3	3	131972	""
"643828"	"643828"	"9-Aza-3,5-dioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy..."	"CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)(O)OCC[N+](C)(C)C)OC"	0	""	""	4	2	131968	""
"643829"	"643829"	"1,1'-Hexane-1,6-diylbis(3,3-dimethyl-1,3-dihydro-2H-indol-2-one)"	"CC1(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)c3ccccc23)c4ccccc14"	0	""	""	1	1	370576	""
"643833"	"643833"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C(=C3N(Cc4cc5ccccc5nc34)C2=O)Cl"	0	"TOP1"	""	4	4	6711820	""
"643835"	"643835"	"Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	16683185	""
"643836"	"643836"	"[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(OC)c(OC)c1OC)OC(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	3	2	16683186	""
"643837"	"643837"	"Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)OC(=O)c2cc(OC)c(OC)cc2OC"	0	""	""	1	1	16683573	""
"643838"	"643838"	"[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1F)OC(=O)c2ccccc2F"	0	""	""	3	2	16683574	""
"643840"	"643840"	"[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c2ccc(F)cc2"	0	""	""	2	2	16683575	""
"643841"	"643841"	"[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1c(F)cccc1F)OC(=O)c2c(F)cccc2F"	0	""	""	1	1	16683188	""
"643842"	"643842"	"[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c2cccc(F)c2F"	0	""	""	1	1	16683576	""
"643843"	"643843"	"[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)OC(=O)c2cc(F)cc(F)c2"	0	""	""	1	1	16683577	""
"643844"	"643844"	"[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)OC(=O)c2cc(F)ccc2F"	0	""	""	1	1	16683578	""
"643845"	"643845"	"LS-28225"	"CCCC[Sn](CCCC)(OC(=O)c1ccc(C)c(N)c1)OC(=O)c2ccc(C)c(N)c2"	0	""	""	1	1	16683189	""
"643846"	"643846"	"1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane"	"CC[Sn](CC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)O[Sn](CC)(CC)OC(=O)c2cc(OC)c(OC)c(OC)c2"	0	""	""	2	2	16683190	""
"643847"	"643847"	"Neuro_000324"	"CCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c2ccc(OC)c(OC)c2OC"	0	""	""	3	3	16683191	""
"643848"	"643848"	"1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane"	"CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)O[Sn](CCCC)(CCCC)OC(=O)c2cc(OC)c(OC)cc2OC"	0	""	""	2	1	16683192	""
"643849"	"643849"	"[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1F)O[Sn](CC)(CC)OC(=O)c2ccccc2F"	0	""	""	2	2	16683193	""
"643850"	"643850"	"[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1cccc(F)c1)O[Sn](CC)(CC)OC(=O)c2cccc(F)c2"	0	""	""	1	1	16683194	""
"643851"	"643851"	"[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate"	"CC[Sn](CC)(OC(=O)c1ccc(F)cc1)O[Sn](CC)(CC)OC(=O)c2ccc(F)cc2"	0	""	""	1	1	16683195	""
"643852"	"643852"	"[[(2,6-Difluorobenzoyl)oxy-diethyl-stannyl]oxy-diethyl-stannyl] 2,6-difluorobenzoate"	"CC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c2c(F)cccc2F"	0	""	""	1	1	16683196	""
"643853"	"643853"	"Neuro_000325"	"CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c2cccc(F)c2F"	0	""	""	3	3	16683197	""
"643854"	"643854"	"[dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 3,5-difluorobenzoate"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)O[Sn](CCCC)(CCCC)OC(=O)c2cc(F)cc(F)c2"	0	""	""	1	1	16683198	""
"643855"	"643855"	"Neuro_000326"	"CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)O[Sn](CCCC)(CCCC)OC(=O)c2cc(F)ccc2F"	0	""	""	3	3	16683199	""
"643856"	"643856"	"[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate"	"CC[Sn](CC)(OC(=O)c1ccccc1OC)O[Sn](CC)(CC)OC(=O)c2ccccc2OC"	0	""	""	1	1	16683200	""
"643857"	"643857"	"[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate"	"CC[Sn](CC)(OC(=O)c1cccc(OC)c1)O[Sn](CC)(CC)OC(=O)c2cccc(OC)c2"	0	""	""	2	2	16683201	""
"643858"	"643858"	"[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate"	"CCCC[Sn](CCCC)(OC(=O)Cc1ccc(F)cc1)OC(=O)Cc2ccc(F)cc2"	0	""	""	1	1	16683202	""
"643859"	"643859"	"Neuro_000327"	"CCC[Sn](CCC)(OC(=O)Cc1ccc(F)cc1)O[Sn](CCC)(CCC)OC(=O)Cc2ccc(F)cc2"	0	""	""	3	3	16683203	""
"643860"	"643860"	"Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane"	"CCCC[Sn](CCCC)(OC(=O)\C=C\c1ccccc1F)OC(=O)\C=C\c2ccccc2F"	0	""	""	3	2	16683204	""
"643861"	"643861"	"[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)c1cccnc1SC)OC(=O)c2cccnc2SC"	0	""	""	1	1	16683205	""
"643862"	"643862"	"Neuro_000328"	"CCC[Sn](CCC)(OC(=O)c1cccnc1SC)O[Sn](CCC)(CCC)OC(=O)c2cccnc2SC"	0	""	""	3	3	16683206	""
"643863"	"643863"	"[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate"	"CCCC[Sn](CCCC)(OC(=O)c1nccnc1N)OC(=O)c2nccnc2N"	0	""	""	1	1	16683207	""
"643864"	"643864"	"Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane"	"CCCC[Sn](CCCC)(SC1=NCCS1)SC2=NCCS2"	0	""	""	2	2	9571331	""
"643910"	"643910"	"Maybridge1_006365"	"CCOC(=O)C1=C(C)NC(=S)NC1c2ccccc2"	0	""	""	2	1	2737412	""
"643913"	"643913"	"Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,6-dihydropyrimidine-5-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=O)NC1c3ccccc3"	0	""	""	1	1	370620	""
"643915"	"643915"	"Naphtho[2,3-d]oxazole-4,9-dione, 2-(1,1-dimethylethyl)-"	"CC(C)(C)c1oc2C(=O)c3ccccc3C(=O)c2n1"	0	""	""	5	3	370622	""
"643926"	"643926"	""	"OC(=O)[C@@H]1OCCOCCOC([C@@H](OCCOCCOC1C(=O)O)C(=O)O)C(=O)O"	0	NA	NA	2	1	NA	""
"644011"	"644011"	"RCL S107441"	"O=C1C=CC(=O)c2c3C4c5ccccc5C(c6ccccc46)c3c7C8c9ccccc9C(c%10ccccc8%10)c7c12"	0	""	""	4	4	370649	""
"644040"	"644040"	"1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)N5CCN(CCO)CC5)cc1"	0	""	""	1	1	370664	""
"644043"	"644043"	"N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide"	"NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1"	0	""	""	3	3	370667	"165121460"
"644044"	"644044"	"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1"	0	""	""	1	1	370668	""
"644046"	"644046"	"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-"	"Cc1onc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)c1"	0	""	""	1	1	370670	""
"644191"	"644191"	""	"CS(=O)(C)[Pt+2](C#O)([c-]1ccccc1)[c-]2ccccc2"	0	NA	NA	1	1	NA	""
"644210"	"644210"	"Destruxin A"	"CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O"	0	""	""	2	2	370709	""
"644211"	"644211"	"Chlorodestruxin"	"CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O"	0	NA	NA	2	2	NA	""
"644221"	"644221"	""	"CN(C)CCNC(=O)c1cccc2Oc3cccc(c3Oc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"644258"	"644258"	"1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphinine 1-oxide"	"CCCCOP1(=O)CC(=C(Cl)C=C1)C"	0	""	""	1	1	370738	""
"644259"	"644259"	"4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide"	"CCOP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	2	1	370739	""
"644271"	"644271"	"4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole"	"COc1c(ccc2ccccc12)C3=NC(CO3)C(C)C"	0	""	""	1	1	370748	""
"644279"	"644279"	""	"O=CC[C@H]1CCc2ccccc2C13CCC(=O)CC3"	0	NA	NA	1	1	NA	""
"644304"	"644304"	""	"CO[C@@H]([C@H](C)N(C)c1ccc2ccccc2c1C3=NC(C)(C)CO3)c4ccccc4"	0	NA	NA	1	1	NA	""
"644323"	"644323"	""	"Cc1ccc(cc1)S(=O)(=O)ON\N=C\2/[C@H]3CCCC[C@H]3C4OC24"	0	NA	NA	1	1	NA	""
"644326"	"644326"	"[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]oxy-lambda3-iodanyl] trifluoromethanesulfonate"	"FC(F)(F)S(=O)(=O)OI(OI(OS(=O)(=O)C(F)(F)F)c1ccccc1)c2ccccc2"	0	""	""	1	1	370804	""
"644328"	"644328"	"N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine"	"CCSC1(CC(Cc2ccc(OC)cc2)N(C1)\C=N\C(C)(C)C)SCC"	0	""	""	1	1	370806	""
"644340"	"644340"	"Diethyl 5,10-dimethyl-5,7,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,11-tetraene-7,8-dicarboxylate"	"CCOC(=O)N1N(C(=O)OCC)c2c(ccn2C)c3ccn(C)c13"	0	""	""	1	1	370817	""
"644474"	"644474"	"N'-(4-Chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide"	"C\C(=N/NC(=O)CC(=O)N(C(=O)c1ccc(Cl)cc1)c2ccc(C)cc2)\c3ccccc3O"	0	""	""	1	1	135499196	""
"644579"	"644579"	"4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile"	"N#Cc1ccc(cc1)C2OCC3CC=CCC3CO2"	0	""	""	1	1	370857	""
"644582"	"644582"	"Hydrazinecarboximidamide, 2-[(1H-indol-3-yl)methylene]- ..."	"N=C(N\N=C\c1c[nH]c2ccccc12)Nc3ccccc3"	0	NA	NA	5	3	NA	""
"644607"	"644607"	"2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol"	"OCCNCCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3"	0	""	""	1	1	5466853	""
"644614"	"644614"	"1-[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate"	"Cc1cc(C)[n+](CCOc2ccc(cc2)\C(=C(\Cl)/c3ccccc3)\c4ccccc4)c(C)c1"	0	""	""	3	3	24202368	""
"644621"	"644621"	""	"CCOC(=O)Nc1cc2nnc(nc2c(N)n1)c3ccccc3"	0	NA	NA	1	1	NA	""
"644622"	"644622"	"3,5-Dichloro-2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl 4-nitrobenzoate"	"COC1=CC(=Nc2c(Cl)cc(Cl)cc2OC(=O)c3ccc(cc3)[N+](=O)[O-])C=C(OC)C1=O"	0	""	""	2	1	370888	""
"644644"	"644644"	"N-(4-Bromophenyl)-4-phenyl-1,2,3,8-tetrazatricyclo[7.4.0.02,6]trideca-3,5,8,10,12-pentaen-7-imine"	"Brc1ccc(cc1)\N=C/2\N=C3C=CC=CN3n4nc(cc24)c5ccccc5"	0	""	""	1	1	370906	""
"644649"	"644649"	"Megaphone acetate"	"CO[C@H]1CCC(=O)C(CC=C)(C1)[C@H](C)[C@@H](OC(=O)C)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	1	1	NA	""
"644651"	"644651"	"methoxymethyldispiro[[?]]one"	"COCC1C(=O)c2cc3OCOc3cc2C14C=CC5(OCCO5)C=C4"	0	""	""	1	1	370913	""
"644720"	"644720"	"MYQDQLNZLSSLJX-UHFFFAOYSA-N"	"O=C1NC2=CC=CC=CC2=C1c3nc4ccccc4[nH]3"	0	""	""	1	1	370919	""
"644727"	"644727"	"Methyl N-[(Z)-[2-(3-nitroanilino)-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-oxoethylidene]amino]carbamate"	"COC(=O)N\N=C(/C(=O)Nc1cccc(c1)[N+](=O)[O-])\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	135499200	""
"644747"	"644747"	"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide"	"Clc1ccc(cc1Cl)C(=O)C(C2OC(=O)c3ccccc23)C(=O)C(=O)Nc4cc(Cl)c(Cl)cc4Cl"	0	""	""	1	1	370942	""
"644751"	"644751"	"4-[2-[(3,4-Dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide"	"FC(F)(F)c1cccc(NC(=O)C(=O)CC(=O)c2ccccc2NC3=CC(=O)C(=O)c4ccccc34)c1"	0	""	""	4	4	370946	""
"644761"	"644761"	"4-(3,4-Dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	370956	""
"644772"	"644772"	"N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	370967	""
"644773"	"644773"	"Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)N)c1csc(n1)n2nc(cc2c3ccccc3)c4ccccc4"	0	""	""	2	1	370968	""
"644779"	"644779"	"N-(5-Amino-1H-1,2,4-triazol-3-yl)-6-chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide"	"Nc1nnc(NC(=O)C2=NS(=O)(=O)c3cc(c(Cl)cc3N2)S(=O)(=O)N)[nH]1"	0	""	""	1	1	3004318	""
"644780"	"644780"	"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxo-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]butanoate"	"COC(=O)C(C(=O)C(=O)Nc1nnc(S)[nH]1)c2csc(n2)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	3004319	""
"644789"	"644789"	""	"[O-][N+](=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)\C=C\c4ccccc4)c(c1)C#N"	0	NA	NA	1	1	NA	""
"644790"	"644790"	"N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide"	"CC(=O)c1ccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccc(Cl)c(Cl)c4)cc1"	0	""	""	1	1	370984	""
"644793"	"644793"	"2-[2-(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinyl]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide"	"Nn1c(S)nnc1NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl"	0	""	""	1	1	3000683	""
"644811"	"644811"	"Acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate"	"CC1(CO)CCC[C@@]2(C)C1[C@@H](C[C@H]3CC(=O)C4(C)CCC23C4)OC(=O)c5ccccc5"	0	""	""	2	2	370991	""
"644860"	"644860"	"2-[5-[1-(2-Hydroxyethyl)-3,7,8,8a-tetrahydro-2H-imidazo[1,2-a]pyridin-6-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl]ethanol"	"OCCN1CCN2C=C(CCC12)C3CCCC4N(CCO)CCN34"	0	""	""	2	2	370999	""
"644864"	"644864"	"Isopropyl 2-(bis(acetyloxy)methyl)nicotinate"	"CC(C)OC(=O)c1cccnc1C(OC(=O)C)OC(=O)C"	0	""	""	1	1	371001	""
"644877"	"644877"	"6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate"	"CCN(CC)C(=O)Oc1ccc(\C=N\O)nc1"	0	""	""	1	1	135499213	""
"644881"	"644881"	"(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide"	"C[N+]1=C(OCC1(C)C)c2cccnc2\C=N\O"	0	""	""	1	1	135499214	""
"644902"	"644902"	"Benzo[b]naphtho[2,3-d]furan-6,11-dione, 4-chloro-3-hydroxy"	"Oc1cc2oc3C(=O)c4ccccc4C(=O)c3c2cc1Cl"	0	""	""	5	4	371025	""
"644906"	"644906"	""	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"644908"	"644908"	"(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one"	"C1C(=[O][Pb+4]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O]=C1c5ccccc5)c6ccccc6"	0	""	""	3	3	16683210	""
"644909"	"644909"	""	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C(C)CC(=[O]1)C)[O]=C(C)CC(=[O]2)C"	0	NA	NA	2	2	NA	""
"644911"	"644911"	"(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	"C1C(=[O][Sn+4]2([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)([O]=C(CC(=[O]2)c5ccccc5)c6ccccc6)[O]=C1c7ccccc7)c8ccccc8"	0	""	""	1	1	16683213	""
"644915"	"644915"	"2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one"	"C1=CC=C2C(=[O][Tl+3]([C-]3=CC=CC=C3)([C-]4=CC=CC=C4)[O-]2)C=C1"	0	""	""	1	1	16684399	""
"644916"	"644916"	"ANTINEOPLASTIC-644916"	"C1C(=[O][Tl+3]([C-]2=CC=CC=C2)([C-]3=CC=CC=C3)[O]=C1c4ccccc4)c5ccccc5"	0	""	""	3	3	16684400	""
"644919"	"644919"	""	"[CH2-][Sn+4]1([CH2-])([CH2-])[O]=C(CC(=[O]1)c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"644920"	"644920"	"(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one"	"[I-][Sn+4]12([I-])([O]=C(CC(=[O]1)c3ccccc3)c4ccccc4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	""	""	1	1	16683217	""
"644921"	"644921"	""	"C[CH-][Tl+3]1([CH-]C)[O]=C(CC(=[O]1)c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	""
"644922"	"644922"	""	"C1CC[C-](CC1)[Sn+4]2([C-]3CCCCC3)([C-]4CCCCC4)[O]=C(CC(=[O]2)c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"644923"	"644923"	"2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one"	"[CH2-][Sn+4]1([CH2-])([CH2-])[O]=C2C=CC=CC=C2[O-]1"	0	""	""	1	1	16683219	""
"644924"	"644924"	"2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one"	"CCC[CH-][Sn+4]12([CH-]CCC)([O]=C3C=CC=CC=C3[O-]1)[O]=C4C=CC=CC=C4[O-]2"	0	""	""	1	1	16683220	""
"644925"	"644925"	"2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one"	"C1=CC=C2C(=[O][Sn+4]3([C-]4=CC=CC=C4)([C-]5=CC=CC=C5)([O]=C6C=CC=CC=C6[O-]3)[O-]2)C=C1"	0	""	""	2	1	16683221	""
"644926"	"644926"	"2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-"	"C1CC[C-](CC1)[Sn+4]2([C-]3CCCCC3)([C-]4CCCCC4)[O]=C5C=CC=CC=C5[O-]2"	0	""	""	1	1	16683222	""
"644933"	"644933"	""	"CC1=[O][Tl+3]23([O]=C(C)CC(=[O]2)c4ccccc4)([O]=C(C)CC(=[O]3)c5ccccc5)[O]=C(C1)c6ccccc6"	0	NA	NA	2	1	NA	""
"644934"	"644934"	"Bisacetylacetone ethylenediimine tin"	"CC1=O[Sn+2]23(O=C(C)[CH-]C(=O2)C)(O=C(C)[CH-]1)[NH+]=CC=[NH+]3"	0	NA	NA	3	3	NA	""
"644945"	"644945"	"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one, 5,5a,6,8..."	"COc1cc(cc(OC)c1O)C2C3[C@@H](COC3=O)[C@@H](OCCN(C)C)c4cc5OCOc5cc24"	0	""	""	3	2	371049	""
"644946"	"644946"	"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(..."	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](OCCN)c4cc5OCOc5cc24"	0	""	""	2	2	371051	"120004979"
"644947"	"644947"	"(5S,5As)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](Nc4ccc(cc4)N(C)C)c5cc6OCOc6cc25"	0	""	""	2	2	371053	""
"644949"	"644949"	"KUC100227"	"Clc1ccc2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	371056	""
"644959"	"644959"	"MCS-687"	"CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1"	0	""	""	1	1	371060	""
"644960"	"644960"	"MCS-688"	"CCCN(CCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O"	0	""	""	4	3	371061	""
"644961"	"644961"	"MCS-689"	"CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc2ccccc2"	0	""	""	3	3	371062	""
"644966"	"644966"	"MCS-694"	"CCCN(CCCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O"	0	""	""	4	3	371067	""
"644967"	"644967"	"2-Acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide"	"CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc2ccccc2"	0	""	""	4	3	371068	""
"645008"	"645008"	"intoplicine"	"CN(C)CCCNc1ncc(C)c2[nH]c3ccc4cc(O)ccc4c3c12.CS(=O)(=O)O"	0	""	""	3	2	371069	""
"645016"	"645016"	""	"COc1cc2CCN3[C@H](C(COC(=O)c4ccccc4)CS/C/3=N/c5ccccc5)c2cc1OC"	0	NA	NA	1	1	NA	""
"645017"	"645017"	"1,4-bis[(2-Aminoethyl)amino]-5,8-dihydroxyanthraquinone"	"NCCNc1ccc(NCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	4	4	125982	""
"645018"	"645018"	"1,4-bis(N-Cysteinyldiethylamino)-5,8-dihydroxy anthraquinon"	"NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CS)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	3	3	438534	""
"645019"	"645019"	"Jayama"	""	0	NA	NA	2	1	NA	""
"645020"	"645020"	"Galiellalactone"	"C[C@@H]1C[C@@H]2CC[C@@H]3OC(=O)C(=C1)[C@]23O"	0	""	""	1	1	6711856	""
"645052"	"645052"	"3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5-..."	"Cc1cc(C)c(c(C)c1)c2noc(c3ccc(Cl)cc3)c2C4=NCCCN4"	0	""	""	1	1	371105	""
"645069"	"645069"	"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one"	"O=C(\C=C\c1ccccc1)c2ccc(NCc3nc4ccccc4[nH]3)cc2"	0	""	""	2	1	6105764	""
"645070"	"645070"	"(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one"	"Brc1ccc(\C=C\C(=O)c2ccc(NCc3nc4ccccc4[nH]3)cc2)cc1"	0	""	""	2	1	5839697	""
"645087"	"645087"	"Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1..."	"CC(=O)N1N(C(=O)C2=C1CCCS2=O)c3ccccc3"	0	""	""	2	2	371127	"124187811"
"645115"	"645115"	"Carbamothioic acid, [4-chloro-3-(2-butenyloxy)phenyl]-, ..."	"C\C=C/COc1cc(NC(=S)OC(C)C)ccc1Cl.C\C=C\COc2cc(NC(=S)OC(C)C)ccc2Cl"	0	NA	NA	1	1	NA	""
"645145"	"645145"	"Benzeneamine, 4-[(9-acridinyl)thio]-"	"Nc1ccc(Sc2c3ccccc3nc4ccccc24)cc1"	0	""	""	4	4	371141	""
"645150"	"645150"	"6-Chloro-2-methoxy-9-[(2-methyl-4-nitrophenyl)sulfanyl]acridine"	"COc1ccc2nc3cc(Cl)ccc3c(Sc4ccc(cc4C)[N+](=O)[O-])c2c1"	0	""	""	1	1	371146	""
"645151"	"645151"	"3-Acridineamine, 9-[[(4-nitrophenyl)methyl]thio]-"	"Nc1ccc2c(SCc3ccc(cc3)[N+](=O)[O-])c4ccccc4nc2c1"	0	""	""	4	4	371147	""
"645153"	"645153"	"1,1'-Biphenyl-2,2'-diamine, N,N'-bis[2-[9(10H)thioxo-3-a..."	"O=C(CNc1ccc2C(=S)c3ccccc3Nc2c1)Nc4ccccc4c5ccccc5NC(=O)CNc6ccc7C(=S)c8ccccc8Nc7c6"	0	""	""	4	2	3004325	""
"645157"	"645157"	"4,7-[Bis-N,N'-(3-amino-9-thioacetamido)-acridine]-biphenyl"	"Nc1ccc2c(SCC(=O)Nc3ccccc3c4ccccc4NC(=O)CSc5c6ccccc6nc7cc(N)ccc57)c8ccccc8nc2c1"	0	""	""	4	3	371156	""
"645158"	"645158"	"3-Nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine"	"[O-][N+](=O)c1ccc2c(Nc3ccccc3c4ccccc4Nc5c6ccccc6nc7cc(ccc57)[N+](=O)[O-])c8ccccc8nc2c1"	0	""	""	5	4	3694250	""
"645159"	"645159"	"6-Chloro-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]phenyl]-2-methoxyacridin-9-amine"	"COc1ccc2nc3cc(Cl)ccc3c(Nc4ccccc4c5ccccc5Nc6c7ccc(Cl)cc7nc8ccc(OC)cc68)c2c1"	0	""	""	3	3	371158	""
"645161"	"645161"	"1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione"	"CCN(CC)CCN1C=CC(=O)c2cc3C(=O)C=CN(CCN(CC)CC)c3c(C)c12"	0	""	""	3	3	371160	""
"645162"	"645162"	"BG-461"	"Cc1cc(ccc1Sc2c3ccccc3nc4cc(Cl)ccc24)[N+](=O)[O-]"	0	""	""	1	1	371161	""
"645163"	"645163"	"9-[(2-Methyl-4-nitrophenyl)sulfanyl]acridine"	"Cc1cc(ccc1Sc2c3ccccc3nc4ccccc24)[N+](=O)[O-]"	0	""	""	1	1	371162	""
"645164"	"645164"	"N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide"	"COc1ccc2nc3cc(Cl)ccc3c(Sc4ccc(NC(=O)C)cc4)c2c1"	0	""	""	2	2	371163	""
"645166"	"645166"	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methylideneamino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(cc1)\N=C\c2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)C(=O)OCC"	0	""	""	2	1	371165	""
"645167"	"645167"	"diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	371166	""
"645168"	"645168"	"N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine"	"COc1ccc(Nc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	371167	""
"645170"	"645170"	"3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine"	"Nc1cc(cc2nc(c(N)nc12)c3ccccc3)C(F)(F)F"	0	""	""	1	1	371169	""
"645205"	"645205"	"NKLB"	""	0	NA	NA	3	2	NA	""
"645207"	"645207"	"2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone"	"Fc1ccc(CC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1"	0	""	""	2	2	371175	""
"645210"	"645210"	"1,4-Naphthalenedione, 2-chloro-3-[[2-(2-fluorophenyl)- 1..."	"Fc1ccccc1CC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	4	3	371178	""
"645214"	"645214"	"9-Ethoxy-2-[1-(2-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one"	"CCOC1=C2N=C(N=C2C(=O)c3ccccc13)C(CC)c4ccccc4F"	0	""	""	1	1	371182	""
"645238"	"645238"	"[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]"	"[F-][PH2+5]([F-])([F-])([F-])([F-])[F-].S(c1ccc(cc1)[S+](c2ccccc2)c3ccccc3)c4ccc(cc4)[S+](c5ccccc5)c6ccccc6"	0	""	""	1	1	498987	""
"645253"	"645253"	"7-Hydroxy-1-(4-methoxybenzyl)-2-methylisoquinolin-6(2H)-one"	"COc1ccc(Cc2c3cc(O)c(O)cc3cc[n+]2C)cc1"	0	""	""	2	2	371203	""
"645257"	"645257"	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate"	"COc1cc(Br)c(\C=N/c2cccc3ccc(OS(=O)(=O)c4ccc(cc4)[N+](=O)[O-])cc23)cc1OC"	0	""	""	1	1	371207	""
"645260"	"645260"	"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate"	"COc1cc(Br)c(\C=N/c2cccc3ccc(OS(=O)(=O)c4cccc(c4)[N+](=O)[O-])cc23)cc1OC"	0	""	""	1	1	371211	""
"645265"	"645265"	"1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene"	"COc1ccc(OC)c(CCc2cc(OC)c(OC)cc2C)c1"	0	""	""	1	1	371216	""
"645283"	"645283"	"3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione"	"COc1ccc(CCN2C(=O)N(C)c3ccccc3C2=O)cc1"	0	""	""	1	1	371226	""
"645301"	"645301"	""	"COc1cc2cnc3c4ccccc4ccc3c2cc1OC.COc5cc6c[n+](C)c7c8ccccc8ccc7c6cc5OC.CS(=O)(=O)[O-]"	0	NA	NA	4	4	NA	""
"645302"	"645302"	"6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine"	"CCOC1N(C)c2c(ccc3ccccc23)c4cc(OC)c(OC)cc14"	0	""	""	3	3	371245	""
"645304"	"645304"	"N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine"	"COc1cc2cccc(\N=C/c3ccccc3Cl)c2cc1OC"	0	""	""	1	1	371247	""
"645305"	"645305"	""	"COc1ccc2c[n+](C)c3c(ccc4cc(OC)c(OC)cc34)c2c1"	0	NA	NA	4	3	NA	""
"645306"	"645306"	""	"COc1ccc2c(c1)c[n+](C)c3c2ccc4cc(OC)c(OC)cc34"	0	NA	NA	4	4	NA	""
"645307"	"645307"	"3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine"	"COc1cc2cnc3c(ccc4ccc(OCc5ccccc5)cc34)c2cc1OC"	0	""	""	1	1	371248	""
"645310"	"645310"	"8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine"	"CCOc1cc2cnc3c(ccc4cc(OC)c(OC)cc34)c2cc1OC"	0	""	""	1	1	371252	""
"645312"	"645312"	"2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide"	"COc1cc(C(=O)Nc2cccc3ccccc23)c(Br)c(OC)c1OC"	0	""	""	1	1	371255	""
"645315"	"645315"	"Oxyacanthine"	"COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4"	0	""	""	1	1	371257	""
"645317"	"645317"	"Sanguilutine pseudobase"	"COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(O)[n+](C)c3c2cc1OC"	0	""	""	3	2	371258	""
"645319"	"645319"	"Cowlteropine"	"COc1c2OCOc2cc3CCN(C)Cc4c(CC(=O)c13)ccc5OCOc45"	0	""	""	1	1	371260	""
"645323"	"645323"	""	"COc1ccc2[nH]c3[C@H]4[C@@H]([C@@H]5CC(CC[C@@H]5c3c2c1)C(C)(C)C)C(=O)N(C4=O)c6ccccc6"	0	NA	NA	2	2	NA	""
"645326"	"645326"	""	"COc1ccc2[nH]c3[C@@H]4[C@H](C[C@@H](c5ccccc5)c3c2c1)C(=O)N(C4=O)c6ccccc6"	0	NA	NA	1	1	NA	""
"645328"	"645328"	"7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	"COc1ccc2[nH]c3c4C(=O)N(C(=O)c4cc(c5ccccc5)c3c2c1)c6ccccc6"	0	""	""	2	2	371269	""
"645329"	"645329"	"10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione"	"O=C1N(C(=O)c2c1ccc3c4ccccc4n(Cc5ccccc5)c23)c6ccccc6"	0	""	""	2	2	371270	""
"645330"	"645330"	"11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-"	"Cc1cccc2c1c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	2	2	371271	""
"645351"	"645351"	"[Bis(aminomethyl)diethylsilane]dichloroplatinum (II)"	"[Cl-][Pt+2]1([Cl-])NC[Si](CC)(CC)CN1"	0	NA	NA	5	4	NA	""
"645352"	"645352"	"[Bis(aminomethyl)diethylsilane]tetrachloroplatinum (IV)"	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si](CC)(CC)CN1"	0	NA	NA	1	1	NA	""
"645353"	"645353"	"[Bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin..."	"[Cl-][Pt+2]1([Cl-])NC[Si]2(CCCC2)CN1"	0	NA	NA	3	3	NA	""
"645354"	"645354"	"[Bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si]2(CCCC2)CN1"	0	NA	NA	3	2	NA	""
"645355"	"645355"	"[Bis(aminomethyl)cyclopentamethylenesilane]dichloroplati..."	"[Cl-][Pt+2]1([Cl-])NC[Si]2(CCCCC2)CN1"	0	NA	NA	3	2	NA	""
"645356"	"645356"	"[Bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl..."	"[Cl-][Pt+4]1([Cl-])([Cl-])([Cl-])NC[Si]2(CCCCC2)CN1"	0	NA	NA	3	2	NA	""
"645362"	"645362"	"(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene-2,6,9-trione"	"CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C3=C1C(=O)C=CC3=O"	0	""	""	2	2	371285	""
"645365"	"645365"	""	"Cc1ccc(c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"645369"	"645369"	"1-[(2-hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-n..."	"Cc1ncc([N+](=O)[O-])n1CC(O)Cn2cnc(n2)[N+](=O)[O-]"	0	""	""	1	1	371294	""
"645376"	"645376"	"4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile"	"N#Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(cc2)C#N)cc1"	0	""	""	1	1	371302	""
"645384"	"645384"	"3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione"	"CC1=C(CCl)C(=O)Oc2c(C)c3OC=C(CCl)C(=O)c3cc12"	0	""	""	1	1	371310	""
"645389"	"645389"	"(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenyl-prop-2-en-1-one"	"O=C(COc1ccc(\C=C\C(=O)c2ccccc2)cc1)N3CCN(CC3)c4ccccc4"	0	""	""	2	1	5466903	""
"645393"	"645393"	"2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-[2-oxo- 2-(4-ph..."	"COc1ccc(cc1)C(=O)\C=C\c2ccc(OCC(=O)N3CCN(CC3)c4ccccc4)cc2"	0	""	""	4	1	5466905	""
"645394"	"645394"	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc3c(Cl)cccc3Cl"	0	""	""	1	1	5466906	""
"645396"	"645396"	"2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one"	"Clc1ccc(cc1)C2=CC(=O)c3ccc(OCC(=O)N4CCN(CC4)c5ccccc5)cc3O2"	0	""	""	1	1	371322	""
"645397"	"645397"	"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide"	"Clc1ccc(cc1)C(=O)\C=C\c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2"	0	""	""	1	1	5466907	""
"645429"	"645429"	"Pyrrolo[3,2,1-hi]indole-7-carboxylic acid, 1-ethyl-1,2,4..."	"CCC1CN2CCC3(CC(=CC1C23)C(=O)OC)c4ccccc4"	0	""	""	1	1	371325	""
"645431"	"645431"	"1H-Benz[g]indol-5-ol, 2-phenyl"	"Oc1cc2cc([nH]c2c3ccccc13)c4ccccc4"	0	""	""	2	2	371327	""
"645455"	"645455"	"4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine"	"CC1=CCP(P(C1)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	371328	""
"645458"	"645458"	""	"[R]=O.C[C@@]12CCc3nonc3[C@H]1CC[C@H]4[C@H]2CC[C@]5(C)[C@@H]4Cc6nonc56"	0	NA	NA	1	1	NA	""
"645464"	"645464"	"(4Br,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3C2CC[C@@]4(C)C3CC(=O)N(N)C4=O"	0	""	""	1	1	371333	""
"645465"	"645465"	"(2R,13R,16Z,18S)-16-Hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one"	"C[C@]12CCc3nonc3C1CC[C@@H]4C2CC[C@@]5(C)C4C\C(=N\O)\C5=O"	0	""	""	1	1	54608104	""
"645468"	"645468"	"[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide"	"O=S1(=O)COc2ccccc2c3ncncc13"	0	""	""	1	1	371337	""
"645527"	"645527"	"Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate"	"COC(=O)C(NC(=O)OCc1ccccc1)(C#CCCCCC#CC(NC(=O)OCc2ccccc2)(C(=O)OC)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	371338	""
"645528"	"645528"	"Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate"	"CCOC(=O)C1=NC(OC1=C(Cl)Cl)(c2ccccc2)c3ccccc3"	0	""	""	1	1	371339	""
"645566"	"645566"	"1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane"	"CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](Cl)(Cl)CC"	0	""	""	3	3	371346	""
"645567"	"645567"	"1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane"	"CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.Cl[Sn](Cl)(Cl)c1ccccc1"	0	""	""	1	1	371347	""
"645568"	"645568"	"(2-HYDROXY-2-PHENYLACETOXY)TRIMETHYLTIN"	"C[Sn](C)(C)OC(=O)C(O)c1ccccc1"	0	""	""	3	2	16683226	""
"645569"	"645569"	"Trimethylstannyl 2-acetoxy-2-phenyl-acetate"	"CC(=O)OC(C(=O)O[Sn](C)(C)C)c1ccccc1"	0	""	""	1	1	16683227	""
"645570"	"645570"	"Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate"	"CC[Ge](CC)(CC)OC(C(=O)O[Ge](CC)(CC)CC)c1ccccc1"	0	""	""	1	1	16683228	""
"645571"	"645571"	"Tributylgermyl 2-hydroxy-2-phenyl-acetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1"	0	""	""	2	2	16683229	""
"645573"	"645573"	"Trimethylgermyl 2-acetoxy-2-phenyl-acetate"	"CC(=O)OC(C(=O)O[Ge](C)(C)C)c1ccccc1"	0	""	""	1	1	16683231	""
"645575"	"645575"	"Tributylgermyl 2-acetoxy-2-phenyl-acetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(=O)C)c1ccccc1"	0	""	""	2	2	16683233	""
"645576"	"645576"	"Tributyl((methoxy(phenyl)acetyl)oxy)germane"	"CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1"	0	""	""	2	2	16683234	""
"645578"	"645578"	"Tributyl((methoxy(phenyl)acetyl)oxy)stannane"	"CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1"	0	""	""	1	1	16683236	""
"645583"	"645583"	"NOCAS_875064"	"CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCc1ccccc1"	0	""	""	1	1	371363	""
"645586"	"645586"	""	"CS\C(=N\OC(=O)NCCCCNc1ccc(cc1)N=[N+]=[N-])\C"	0	NA	NA	1	1	NA	""
"645615"	"645615"	""	"NC(=S)N1N=C2[C@H](CCc3ccccc23)[C@@H]1c4ccccc4"	0	NA	NA	2	2	NA	""
"645616"	"645616"	"(3Z)-3-(4-Benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccccc2"	0	""	""	5	2	5917066	""
"645617"	"645617"	"(3Z)-1,1-Dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccccn2"	0	""	""	2	2	9571678	""
"645618"	"645618"	"Thiourea, N,N-dimethyl-N'-[4-[(2-thienyl)methyl]- 3-thio..."	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2cccs2"	0	""	""	5	3	5911714	""
"645619"	"645619"	"(3Z)-1,1-Dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2cccnc2"	0	""	""	5	3	9571679	""
"645620"	"645620"	"(3Z)-1,1-Dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea"	"CN(C)C(=S)\N=C\1/SSC(=S)N1Cc2ccncc2"	0	""	""	1	1	9571680	""
"645621"	"645621"	"Thiourea, N-[4-[(3,4,5-trimethoxyphenyl)methyl]-5-thioxo..."	"COc1cc(CN2C(=S)SS/C/2=N\C(=S)N(C)C)cc(OC)c1OC"	0	""	""	6	4	5914108	""
"645632"	"645632"	"Dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate"	"COC(=O)CCC(NC(=S)N\N=C(/C)\c1nccs1)C(=O)OC"	0	""	""	1	1	5896716	""
"645633"	"645633"	"Dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate"	"COC(=O)CCC(NC(=S)N\N=C(/C)\c1cnc2ccccc2n1)C(=O)OC"	0	""	""	1	1	9571690	""
"645639"	"645639"	"2-[[[(E)-(5-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate"	"CC(=O)OCCOCNC(=S)N\N=C\c1ccc(Br)s1"	0	""	""	2	1	9571695	""
"645640"	"645640"	"2-[[[(E)-(5-Nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate"	"CC(=O)OCCOCNC(=S)N\N=C\c1ccc(s1)[N+](=O)[O-]"	0	""	""	1	1	9571696	""
"645645"	"645645"	"antineoplastic-645645"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	""	""	4	3	5466797	""
"645646"	"645646"	"antineoplastic-645646"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O"	0	""	""	5	3	54598755	""
"645647"	"645647"	"Benzamide riboside"	"NC(=O)c1cccc(c1)C2OC(CO)C(O)C2O"	0	NA	NA	4	4	NA	""
"645656"	"645656"	"1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol"	"CCc1nc2cc(ccc2[nH]1)N=Nc3c(O)ccc4ccccc34"	0	""	""	2	1	371434	""
"645658"	"645658"	"O-Benzylfluorescein benzyl ester"	"O=C(OCc1ccccc1)c2ccccc2C3=C4C=CC(=O)C=C4Oc5cc(OCc6ccccc6)ccc35"	0	""	""	1	1	371436	""
"645665"	"645665"	""	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)Nc3ccc(Cl)cc3)N(CCC#N)CCC#N"	0	NA	NA	3	2	NA	""
"645667"	"645667"	""	"Cc1cc(ccc1\C=C(\NC(=O)Nc2ccc(Cl)cc2)/NC(=O)\C=C\c3ccccc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"645668"	"645668"	""	"Cc1cc(ccc1\C=C\2/N=C(\C=C\c3ccccc3)N(C2=O)c4ccc(Cl)cc4)N(CCC#N)CCC#N"	0	NA	NA	3	2	NA	""
"645669"	"645669"	""	"COc1ccc(cc1)N2C(=N\C(=C/c3ccc(cc3C)N(CCC#N)CCC#N)\C2=O)\C=C\c4ccccc4"	0	NA	NA	1	1	NA	""
"645674"	"645674"	"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide"	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)N)N(CCC#N)CCC#N"	0	""	""	1	1	6477344	""
"645676"	"645676"	"(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide"	"Cc1cc(ccc1\C=C(/NC(=O)\C=C\c2ccccc2)\C(=O)N=[N+]=[N-])N(CCC#N)CCC#N"	0	""	""	1	1	6477346	""
"645678"	"645678"	"S-Phenyl (E)-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-phenylsulfanylprop-2-enethioate"	"Cc1cc(ccc1\C(=C(/NC(=O)\C=C\c2ccccc2)\C(=O)Sc3ccccc3)\Sc4ccccc4)N(CCC#N)CCC#N"	0	""	""	2	2	6477347	""
"645727"	"645727"	"Carbamothioic acid, 4-chloro-3-[(1-methylethoxy) iminome..."	"CC(C)O\N=C\c1cc(NC(=S)OC(C)C)ccc1Cl"	0	""	""	3	1	5351400	""
"645737"	"645737"	"(5S,8Ar)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](OCCN(C)C)c4cc5OCOc5cc24"	0	""	""	2	2	371464	""
"645744"	"645744"	"Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, 5-hydroxy- 3,6..."	"CSC1=NC2=C(C(=C(C)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)O)C(=O)N1C"	0	""	""	2	1	54688598	""
"645758"	"645758"	"Cyclopentyl(trimethyl)silane; dichloroniobium"	"C[Si](C)(C)[C-]12C3=C4C5=C1[Nb+4]23456789([ClH-])([ClH-])C%10=C6[C-]7(C8=C9%10)[Si](C)(C)C"	0	""	""	1	1	498994	""
"645777"	"645777"	"leinamycin"	"C[C@H]1NC(=O)C[C@@]2(CC\C(=C\[C@@H](O)C(=O)\C=C\C=C/c3csc1n3)\C)S(=O)SC(=O)[C@]2(C)O"	0	NA	NA	3	2	NA	""
"645796"	"645796"	"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline"	"C1COC2C(C1)C(Nc3ccccc23)c4ccccc4"	0	""	""	1	1	371501	""
"645803"	"645803"	"n-(2-hydroxyethyl)-1-nitro-9-acridineamine, hcl salt"	"OCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	2	371504	"77280934"
"645804"	"645804"	"antineoplastic-645804"	"CN(C)CCCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	2	371505	""
"645805"	"645805"	"antineoplastic-645805"	"CNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	371506	""
"645806"	"645806"	"antineoplastic-645806"	"OCCN(CCO)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	4	3	371507	""
"645807"	"645807"	"ANTINEOPLASTIC-645807"	"CCN(CC)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	371508	""
"645808"	"645808"	"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CN(C)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	371509	""
"645809"	"645809"	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	438544	""
"645810"	"645810"	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CN(C)CCCNc1ccc2ncn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	438545	""
"645812"	"645812"	"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4C(=O)c1c23"	0	""	""	3	2	438549	""
"645813"	"645813"	"10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride"	"COc1ccc2c(c1)C(=O)c3c(NCCCN(C)C)ccc4ncn2c34"	0	""	""	3	3	438551	""
"645814"	"645814"	"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	2	438553	""
"645815"	"645815"	"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid"	"OCCNCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	438554	""
"645816"	"645816"	"10-[2-(Diethylamino)ethylamino]-5-nitro-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	3	2	438556	""
"645817"	"645817"	"Neuro_000344"	"CN(C)CCCNc1ccc2nnn3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	3	2	438557	""
"645818"	"645818"	"5-Chloro-10-[2-(dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nnn3c4ccc(Cl)cc4C(=O)c1c23"	0	""	""	3	2	438558	""
"645819"	"645819"	"Neuro_000345"	"OCCNCCNc1ccc2nnn3c4ccc(Cl)cc4C(=O)c1c23"	0	""	""	3	2	438559	""
"645821"	"645821"	"10-[2-(Diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccccc4C(=O)c1c23"	0	""	""	2	1	438561	""
"645822"	"645822"	"Neuro_000346"	"OCCNCCNc1ccc2nnn3c4ccccc4C(=O)c1c23"	0	""	""	3	2	438562	""
"645823"	"645823"	"10-[2-(Dimethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nnn3c4ccc(C)cc4C(=O)c1c23"	0	""	""	2	1	438563	""
"645825"	"645825"	"10-[2-(Dimethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"COc1ccc2c(c1)C(=O)c3c(NCCN(C)C)ccc4nnn2c34"	0	""	""	2	2	438565	""
"645827"	"645827"	"5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,2,3]tria..."	"CN(C)CCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	NA	NA	3	2	NA	""
"645828"	"645828"	"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CCN(CC)CCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	438567	""
"645829"	"645829"	"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"OCCNCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	438555	""
"645830"	"645830"	"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one"	"CN(C)CCCNc1ccc2nnn3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	3	438568	""
"645832"	"645832"	"10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride"	"OCCNCCNc1ccc2ncn3c4ccccc4C(=O)c1c23"	0	""	""	3	1	371513	""
"645833"	"645833"	"10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2ncn3c4ccccc4C(=O)c1c23"	0	""	""	1	1	438569	""
"645834"	"645834"	"10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one"	"CN(C)CCNc1ccc2nc(C)n3c4ccccc4C(=O)c1c23"	0	""	""	3	2	438570	""
"645835"	"645835"	"Neuro_000347"	"CCc1nc2ccc(NCCN(C)C)c3C(=O)c4ccccc4n1c23"	0	""	""	3	2	438571	""
"645838"	"645838"	"5-Pyrimidinecaboxamide, 1,2,3,4-tetrahydro-4-hydroxy-1,3..."	"CN1C(=C(C(=O)Nc2ccc(cc2)[N+](=O)[O-])C(=O)N(C)C1=S)O"	0	""	""	3	1	371516	""
"645852"	"645852"	"STL147558"	"O=C1NC(=S)NC(=O)C1=Cc2ccc[nH]2"	0	""	""	1	1	135499231	""
"645870"	"645870"	""	"CC(C)(C)C#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	""
"645876"	"645876"	"Methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)c3csc(n3)n4nc(cc4c5ccccc5)c6ccccc6"	0	""	""	1	1	371547	""
"645877"	"645877"	"N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide"	"Cc1ccc(Cl)c(NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccncc4)c1"	0	""	""	1	1	371548	""
"645889"	"645889"	"N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide"	"O\N=C\1/C=C(Oc2cc(O)ccc12)C(=O)Nc3ccc(Cl)cc3Cl"	0	""	""	1	1	135499232	""
"645892"	"645892"	"Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-"	"Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O"	0	""	""	1	1	371563	""
"645911"	"645911"	"SDWIJRJJTZRXLT-UHFFFAOYSA-"	"Brc1nc2c3ccccc3ncn2c1Br"	0	""	""	1	1	371576	""
"645931"	"645931"	"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine"	"COc1cc(CNc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	1	371581	""
"645976"	"645976"	"Carbamic acid, (7,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]de..."	"CC(C)(C)OC(=O)N[C@H]1CC2(OC1=O)C=C(Cl)C(=O)C(=C2)Cl"	0	NA	NA	3	2	NA	""
"645979"	"645979"	"UPCMLD00W3025"	"O=C(N[C@H]1CC2(OC1=O)C=CC(=O)C=C2)OCc3ccccc3"	0	""	""	3	3	371587	""
"645980"	"645980"	"Benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate"	"IC1=CC2(C[C@H](NC(=O)OCc3ccccc3)C(=O)O2)C=C(I)C1=O"	0	""	""	1	1	371588	""
"645984"	"645984"	"bis(2-Nitrophenyl)sulfilimine"	"[O-][N+](=O)c1ccccc1S(=N)c2ccccc2[N+](=O)[O-]"	0	""	""	3	2	371591	""
"645986"	"645986"	""	"OCC1OC(CC1O)N2C=C(C#Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)NC2=O"	0	NA	NA	2	1	NA	""
"645987"	"645987"	"1,4-Benzenediol, 2,5-bis(1-pyrazolyl)-"	"Oc1cc(c(O)cc1n2cccn2)n3cccn3"	0	""	""	4	2	371593	""
"645991"	"645991"	""	"C[C@]1(CC(O)C2C(OC(=O)C2=C)[C@H]1C(=C)C=O)C=C"	0	NA	NA	3	3	NA	""
"645992"	"645992"	"Specionin"	"O[C@H]1Cc2ccc(O)cc2OC(=O)\C=C/1\c3ccc(O)cc3"	0	NA	NA	1	1	NA	""
"645993"	"645993"	"Mixture of Specioside A & B"	"OCC1OC(O[C@H]2Cc3ccc(O)cc3OC(=O)\C=C/2\c4ccc(O)cc4)C(O)C(O)C1O.OCC5OC(Oc6ccc7C[C@@H](O)\C(=C/C(=O)Oc7c6)\c8ccc(O)cc8)C(O)C(O)C5O"	0	NA	NA	1	1	NA	""
"645994"	"645994"	""	"COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC34OOC(CC23)C(=C4)C(C)C"	0	NA	NA	1	1	NA	""
"645997"	"645997"	""	"CC[C@]1(C)C(O)C[C@@H]2C(OC(=O)C2=C)[C@H]1C(=C)C=O"	0	NA	NA	2	2	NA	""
"645998"	"645998"	""	"C\C\1=C/CC\C(=C\C2OC(=O)C(=C)[C@@H]2CC1O)\C=O"	0	NA	NA	2	2	NA	""
"646005"	"646005"	"Brialmontin 1"	"COc1cc(C)c(C)c(OC(=O)c2c(C)c(C)c(OC)c(C)c2OC)c1C"	0	""	""	1	1	371612	""
"646008"	"646008"	"Pannarin"	"COc1cc(C)c2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C"	0	""	""	1	1	162780	""
"646012"	"646012"	"(1R,2S,6S,10S,13S)-6-(Hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol"	"C[C@]1(O)CC[C@@]23CC1C[C@@H]2CCC4[C@@](C)(CO)CCC[C@]34C"	0	""	""	1	1	5459204	""
"646024"	"646024"	"2,5-bis(6'-bromo-3'-indolyl)piperazine"	"Brc1ccc2c(c[nH]c2c1)[C@H]3CNC(CN3)c4c[nH]c5cc(Br)ccc45"	0	NA	NA	2	1	NA	""
"646032"	"646032"	""	"CCN(CC)Cc1cc(Nc2ccnc3ccc4nn(C)nc4c23)ccc1O"	0	NA	NA	1	1	NA	""
"646033"	"646033"	"2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol"	"Cn1nc2ccc3nccc(NCCNCCO)c3c2n1"	0	""	""	1	1	371632	""
"646034"	"646034"	"N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine"	"CCN1CCN(CC1)c2ccc(Nc3ccnc4ccc5nn(C)nc5c34)cc2"	0	""	""	1	1	371633	""
"646098"	"646098"	"2-[(E)-(3-Fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)cc1F.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	50989442	""
"646101"	"646101"	"2-[(E)-(2-Bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1cc(Br)c(\C=N\NC(=N)NO)cc1OC.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	9574162	""
"646105"	"646105"	"2-[(E)-(2-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1cc(\C=N\NC(=N)NO)c(Cl)cc1O.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	135499237	""
"646106"	"646106"	"2-[(E)-(2-Chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)c(Cl)c1O.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	9574172	""
"646108"	"646108"	"2-[(E)-(2,4-Dimethoxy-3-methylphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid"	"COc1ccc(\C=N\NC(=N)NO)c(OC)c1C.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	9574176	""
"646109"	"646109"	"1-Hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid"	"COc1ccccc1\C=N\NC(=N)NO.Cc2ccc(cc2)S(=O)(=O)O"	0	""	""	1	1	50990865	""
"646112"	"646112"	""	""	0	NA	NA	2	2	NA	""
"646113"	"646113"	"Water extract from Clivia Miniata Regel"	""	0	NA	NA	1	1	NA	""
"646122"	"646122"	"4Me2,6-diNO2Ph-SO2-Ph"	"Cc1cc(c(c(c1)[N+](=O)[O-])S(=O)(=O)c2ccccc2)[N+](=O)[O-]"	0	""	""	2	2	371684	""
"646125"	"646125"	"3NO2-2Pyrid-SO2-Ph"	"[O-][N+](=O)c1cccnc1S(=O)(=O)c2ccccc2"	0	""	""	2	1	371687	""
"646127"	"646127"	"6H-Pyrido[4,3-b]carbazole, 1,2-dihydro-2,5,9,11-tetra- m..."	"CN1Cc2c(C)c3c4cc(C)ccc4[nH]c3c(C)c2C=C1"	0	""	""	2	2	371688	""
"646140"	"646140"	""	""	0	NA	NA	1	1	NA	""
"646145"	"646145"	""	"CC(N1O[C@]12CC[C@@]3(C)C(CCCC34OCCO4)C2)c5ccccc5"	0	NA	NA	1	1	NA	""
"646151"	"646151"	"3-trityloxy-propanol"	"OCCCOC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	371701	""
"646159"	"646159"	"N-Hydroxy-N-methylbenzenecarbothioamide"	"CN(O)C(=S)c1ccccc1"	0	""	""	4	4	371711	""
"646160"	"646160"	"ODICBYUPKZRFOG-UHFFFAOYSA-"	"ON(Cc1ccccc1)C(=S)c2ccccc2"	0	""	""	3	2	371712	""
"646161"	"646161"	"Propanethioamide, N-hydroxy-N-methyl-"	"CCC(=S)N(C)O"	0	""	""	5	3	371713	""
"646162"	"646162"	"N-Hydroxy-N,2-dimethylpropanethioamide"	"CC(C)C(=S)N(C)O"	0	""	""	2	2	371714	""
"646190"	"646190"	"Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C(C)[Se]c2ccccc2"	0	""	""	1	1	371747	""
"646191"	"646191"	"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C(CC)[Se]c2ccccc2"	0	""	""	1	1	371748	""
"646192"	"646192"	"Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate"	"CCOC(OC1=C(CCC1)C(=O)OCC)C([Se]c2ccccc2)C(C)C"	0	""	""	1	1	371749	""
"646193"	"646193"	"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile"	"CCOC(OC1=C(CCC1)C#N)C(CC)[Se]c2ccccc2"	0	""	""	1	1	371750	""
"646195"	"646195"	"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate"	"CCOC(OC1=C(CCCC1)C(=O)OCC)C(CC)[Se]c2ccccc2"	0	""	""	1	1	371752	""
"646198"	"646198"	"Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate"	"CCOC(=O)C1(CCCC1=O)[Se]c2ccccc2"	0	""	""	1	1	371755	""
"646199"	"646199"	"((1-(Diethoxymethyl)propyl)seleno)benzene"	"CCOC(OCC)C(CC)[Se]c1ccccc1"	0	""	""	1	1	371756	""
"646200"	"646200"	"1-[(1,1-Diethoxybutan-2-yl)selanyl]-2-nitrobenzene"	"CCOC(OCC)C(CC)[Se]c1ccccc1[N+](=O)[O-]"	0	""	""	3	2	371757	""
"646220"	"646220"	"2-Bromo-1,1,1-triethoxybutane"	"CCOC(OCC)(OCC)C(Br)CC"	0	""	""	1	1	371776	""
"646233"	"646233"	""	"[O-]\[N+](=C/c1ccccc1)\[C@H](COCc2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"646240"	"646240"	"4-Cumylphenol cyanate ester"	"CC(C)(c1ccccc1)c2ccc(OC#N)cc2"	0	""	""	2	1	371796	""
"646243"	"646243"	"C-46391"	"CC(C)(c1ccccc1)c2ccc(Oc3ccc(C#N)c(c3)C#N)cc2"	0	""	""	2	1	371798	""
"646244"	"646244"	"4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile"	"CC(C)(c1ccc(Oc2ccc(C#N)c(c2)C#N)cc1)c3ccc(Oc4ccc(C#N)c(c4)C#N)cc3"	0	""	""	2	1	371799	""
"646248"	"646248"	"4-(2,4-Di-tert-butylphenoxy)phthalonitrile"	"CC(C)(C)c1ccc(Oc2ccc(C#N)c(c2)C#N)c(c1)C(C)(C)C"	0	""	""	2	1	371803	""
"646249"	"646249"	"4-(3-Phenoxyphenoxy)phthalonitrile"	"N#Cc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C#N"	0	""	""	2	1	371804	""
"646273"	"646273"	""	"O[C@@H]1C=CCC2C=CC=CC(=O)C12"	0	NA	NA	1	1	NA	""
"646276"	"646276"	"Kedarcidin"	"COc1c(OC(C)C)cc2cc(O)c(cc2c1OC)C(=O)NC3Cc4ccc(O[C@@H]5C=C6C#C\C(=C/C#CC7OC67C5OC8CC(C)(O)C(O)C(C)O8)\C(COC3=O)OC9CC(O)C(C(C)O9)N(C)C)c(Cl)n4"	0	NA	NA	3	2	NA	""
"646277"	"646277"	"1,2,4-Triazolo[4,3-a]pyrazin-5-amine, 8-chloro-6-nitro-"	"Nc1c(nc(Cl)c2nncn12)[N+](=O)[O-]"	0	""	""	2	1	371811	""
"646278"	"646278"	"Pyrido[3',4':4,5]thieno[2,3-g]isoquinoline, 6-methyl-"	"Cc1c2ccncc2cc3c4cnccc4sc13"	0	""	""	3	3	371812	""
"646290"	"646290"	"Oxidanium;zinc;2-(2-carboxylatoanilino)benzoate"	"[OH2+][Zn+2]12[O-]C(=O)c3ccccc3[NH+]1c4ccccc4C(=O)[O-]2"	0	""	""	2	1	24202387	""
"646371"	"646371"	"7-Amino-3-methyl-2-quinoxalinol"	"Cc1nc2ccc(N)cc2nc1O"	0	""	""	1	1	371851	""
"646374"	"646374"	"N-[3-[[2,4-Diethyl-3-[[3-(3-methylquinoxalin-2-yl)-2-oxopropanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-3-(3-methylquinoxalin-2-yl)-2-oxopropanamide"	"CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)Cc3nc4ccccc4nc3C)c2CC)c(CC)c1NC(=O)C(=O)Cc5nc6ccccc6nc5C"	0	""	""	1	1	371854	""
"646379"	"646379"	"4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide"	"O=C(Nc1cccc(NC(=O)C2=CC(=O)c3ccccc3O2)n1)C4=CC(=O)c5ccccc5O4"	0	""	""	1	1	371859	""
"646381"	"646381"	"2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one"	"Oc1ccc2C(=O)C=C(Oc2c1)C(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	2	5465338	""
"646382"	"646382"	"(2Z)-N-(2-Cyanophenyl)-2-[(4-nitrophenyl)hydrazinylidene]-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide"	"[O-][N+](=O)c1ccc(N\N=C(\C2C(=O)NC(=O)NC2=O)/C(=O)Nc3ccccc3C#N)cc1"	0	""	""	1	1	9555876	""
"646395"	"646395"	""	"C[N+](C)([O-])CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"646428"	"646428"	""	"BrC\C=C\C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"646468"	"646468"	"2-N',2-N',6-N',6-N',11-Pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine"	"CCN(CC)c1ccc2c(Oc3ccc(cc3C24Oc5ccccc5c6c4c7ccccc7n6CC)N(CC)CC)c1"	0	""	""	1	1	371885	""
"646492"	"646492"	"8-Methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole"	"COc1ccc2OCC3C(N(N=C3c4ccccc4)c5ccccc5)c2c1"	0	""	""	1	1	371908	""
"646498"	"646498"	""	"[O-][N+](=O)c1cccc(\C=C\2/COc3ccccc3C2=O)c1"	0	NA	NA	2	2	NA	""
"646500"	"646500"	""	"[O-][N+](=O)c1cccc(\C=C\2/COc3ccc(Br)cc3C2=O)c1"	0	NA	NA	1	1	NA	""
"646501"	"646501"	""	"Clc1ccc(\C=C\2/COc3ccc(Br)cc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"646502"	"646502"	""	"Clc1ccccc1\C=C\2/COc3ccc(Br)cc3C2=O"	0	NA	NA	1	1	NA	""
"646504"	"646504"	"1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline"	"Cc1ccc(cc1)C(=O)N2CCN(C(=O)c3ccc(C)cc3)c4ccccc24"	0	""	""	3	2	371920	""
"646575"	"646575"	"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione"	"OCC1OC(CC1O)N2C(N=[N+]=[N-])C(Cl)C(=O)NC2=O"	0	""	""	1	1	371924	""
"646603"	"646603"	""	""	0	NA	NA	4	2	NA	""
"646604"	"646604"	""	""	0	NA	NA	3	3	NA	""
"646605"	"646605"	""	""	0	NA	NA	3	3	NA	""
"646606"	"646606"	""	""	0	NA	NA	3	2	NA	""
"646607"	"646607"	""	""	0	NA	NA	3	2	NA	""
"646608"	"646608"	""	""	0	NA	NA	3	1	NA	""
"646609"	"646609"	""	""	0	NA	NA	3	2	NA	""
"646610"	"646610"	""	""	0	NA	NA	3	2	NA	""
"646611"	"646611"	""	""	0	NA	NA	1	1	NA	""
"646614"	"646614"	"6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'- amino..."	"C[C@H](NC(=O)C(C)OC1C(O)C(COC(=O)CCCCCNc2ccc(c3Nc4ccc(O)cc4C(=O)c23)[N+](=O)[O-])OC(OCc5ccccc5)C1NC(=O)C)C(=O)N[C@H](CCC(=O)OCc6ccccc6)C(=O)N"	0	NA	NA	2	1	NA	""
"646616"	"646616"	"MDP-C857"	"C[C@H](NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)OCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	NA	NA	2	1	NA	""
"646699"	"646699"	"antineoplastic-646699"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O"	0	NA	NA	2	2	NA	""
"646700"	"646700"	"bis(2-Nitrophenyl)sulfilimine, hydrochloride, [1:1]"	"[O-][N+](=O)c1ccccc1S(=N)c2ccccc2[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"646701"	"646701"	""	"CC1=[CH]2[Pt+2]1(P(c3ccccc3)(c4ccccc4)c5ccccc5)[C-]2(C)C"	0	NA	NA	1	1	NA	""
"646702"	"646702"	"Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium"	"CC#C[P+](c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	24202391	""
"646703"	"646703"	"Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate"	"CC#C[I+]c1ccccc1"	0	""	""	1	1	11111958	""
"646714"	"646714"	"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone"	"CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C"	0	""	""	4	4	159854	""
"646782"	"646782"	"(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide"	"NC(=S)N\N=C(/C(=O)Nc1ccc(Cl)c(Cl)c1)\C2=NN(C(CC2=O)c3cccc(c3)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	9571700	""
"646786"	"646786"	"3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide"	"Cc1ccc(NC(=O)C(=O)C(C#N)c2nc(cs2)c3ccc(cc3)c4ccccc4)c(C)c1"	0	""	""	1	1	371970	""
"646801"	"646801"	"(2Z)-2-(Tert-butylhydrazinylidene)-N-(4-chloro-2-methylphenyl)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide"	"Cc1cc(Cl)ccc1NC(=O)\C(=N/NC(C)(C)C)\C(C#N)c2nc(cs2)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	9571345	""
"646807"	"646807"	"2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide"	"CC1=C(NC(=O)C(=O)NNC(=O)c2ccncc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	371992	""
"646812"	"646812"	"(2Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide"	"NC(=O)N\N=C(\Cc1nc2ccc(cc2nc1O)C(=O)c3ccccc3)/C(=O)Nc4ccc(cc4[N+](=O)[O-])C(F)(F)F"	0	""	""	1	1	5935649	""
"646826"	"646826"	""	"N\N=C(/CC1OC(=O)c2ccccc12)\c3occc3"	0	NA	NA	1	1	NA	""
"646828"	"646828"	"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone"	"OC(C(=O)C1=Nc2ccc(Cl)cc2NC1=O)c3occc3"	0	""	""	1	1	372012	""
"646839"	"646839"	"EU-0067869"	"[O-][N+](=O)c1ccc2C(=O)NC(=O)c3cccc1c23"	0	""	""	1	1	372023	""
"646845"	"646845"	"1-Benzyl-4-(phenylthio)azocane"	"C(N1CCCCC(CC1)Sc2ccccc2)c3ccccc3"	0	""	""	1	1	372029	""
"646846"	"646846"	"Bengamide B"	"CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)C(O)C(O)C(O)\C=C\C(C)C)C(=O)N(C)C1"	0	NA	NA	2	2	NA	""
"646847"	"646847"	"Bengamide G"	"CCCCCCCCCCCCCC(=O)OC(\C=C\C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCNC1=O"	0	""	""	3	2	5467019	""
"646848"	"646848"	"Bengamide H"	"CCCCCCCCCCCCCC(=O)OC(\C=C\C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O"	0	""	""	3	1	5467020	""
"646858"	"646858"	""	"OCC(O)CNc1ccnc2cccc(c12)[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"646859"	"646859"	""	"[O-][N+](=O)c1cccc2nccc(NCCN3CCOCC3)c12"	0	NA	NA	2	1	NA	""
"646860"	"646860"	""	"CN(C)CCCNc1c(C)c(C)nc2c(C)ccc(c12)[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"646863"	"646863"	"Pentamine-osmium(III)trifluoromethane sulfonate"	"[NH3+][Os+3]([NH3+])([NH3+])([NH3+])([NH3+])[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F"	0	""	""	1	1	24202392	""
"646911"	"646911"	"8-(4-Nitro-benzyloxy)-quinoline"	"[O-][N+](=O)c1ccc(COc2cccc3cccnc23)cc1"	0	""	""	1	1	372051	""
"646912"	"646912"	""	"C\C=C\C(=O)Oc1cccc2cccnc12"	0	NA	NA	2	2	NA	""
"646913"	"646913"	"STK182880"	"O=C(Oc1cccc2cccnc12)\C=C\c3ccccc3"	0	""	""	2	2	701842	""
"646923"	"646923"	"LMPK12050091"	"COc1ccc2C(=O)C(=COc2c1)c3cc(OC)c(OC)cc3OC"	0	""	""	3	2	165203	""
"646924"	"646924"	"12a-Hydroxydalpanol"	"COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(O)c2cc1OC)C(C)(C)O"	0	""	""	1	1	134875	""
"646934"	"646934"	"Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate"	"CCOC(=O)C1=C(C)C2C3C(C(=O)NC3=O)C1(C)C4C2C(=O)NC4=O"	0	""	""	1	1	372068	""
"646946"	"646946"	"Rhodium dimer"	"[Cl-].[ClH-][Rh+3]12([ClH-])([n+]3ccc(c4ccccc4)c5ccc6c(cc[n+]1c6c35)c7ccccc7)[n+]8ccc(c9ccccc9)c%10ccc%11c(cc[n+]2c%11c8%10)c%12ccccc%12"	0	NA	NA	5	2	NA	""
"646962"	"646962"	"4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid"	"CN(C)C(=O)CC(C(=O)O)c1c[nH]c2ccccc12"	0	""	""	1	1	372083	""
"646969"	"646969"	"(13Z)-15-Ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene"	"CCC12CN(CCc3c(\C=C/1)[nH]c4ccccc34)CC=C2"	0	""	""	1	1	5467028	""
"646973"	"646973"	""	"CCC12CC(=C3Nc4ccccc4C35CCN(CC=C1)[C@H]25)C(=O)OC"	0	NA	NA	1	1	NA	""
"646977"	"646977"	"[2-(Cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide"	"C[N+](C)(C)Cc1c(CC#N)[nH]c2ccccc12"	0	""	""	1	1	372102	""
"646981"	"646981"	"ZX-AP010086"	"FC(F)(F)C(=O)c1cc2c(onc2c3ccccc13)C(F)(F)F"	0	""	""	2	2	372107	""
"647036"	"647036"	"S-(N-hydroxy N-methylcarbamoyl)-glutathione"	"CN(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O"	0	""	""	3	1	372113	""
"647040"	"647040"	"Aquatris(1,3-diphenylpropane-1,3-dionato)neodymium(III)"	"[OH2+][Nd+3]123(O=C([CH-]C(=O1)c4ccccc4)c5ccccc5)(O=C([CH-]C(=O2)c6ccccc6)c7ccccc7)O=C([CH-]C(=O3)c8ccccc8)c9ccccc9"	0	""	""	1	1	24202395	""
"647042"	"647042"	"Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)neodymium..."	"[OH2+][Nd+3]12([OH-])(O=C([CH-]C(=O1)c3ccccc3)c4ccccc4)O=C([CH-]C(=O2)c5ccccc5)c6ccccc6"	0	""	""	1	1	24202397	""
"647044"	"647044"	"Acetatobis(1,3-diphenylpropane-1,3-dionato)neodymium(III)"	"CC1O[Nd+3]23(O1)(OC(C=C(O2)c4ccccc4)c5ccccc5)OC(C=C(O3)c6ccccc6)c7ccccc7"	0	""	""	1	1	24202398	""
"647045"	"647045"	"Acetatobis(1,3-diphenylpropane-1,3-dionato)samarium(III)"	"CC1=[O][Sm+3]23([O]=C(CC(=[O]2)c4ccccc4)c5ccccc5)([O]=C(CC(=[O]3)c6ccccc6)c7ccccc7)[O-]1"	0	""	""	1	1	372117	""
"647048"	"647048"	"Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)lanthane(..."	"[OH2+][La+3]12([OH-])(O=C([CH-]C(=O1)c3ccccc3)c4ccccc4)O=C([CH-]C(=O2)c5ccccc5)c6ccccc6"	0	""	""	1	1	24202399	""
"647050"	"647050"	"Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di- [neo..."	"C1CCCC2=[O][Nd+3]345([O]=C(CCCCCCC6=[O][Nd+3]78([O]=C(CCCCCCC(=[O]3)C=C(c9ccccc9)[O-]4)C=C(c%10ccccc%10)[O-]7)([O]=C(CC1)C=C(c%11ccccc%11)[O-]8)[O-]C(=C6)c%12ccccc%12)C=C(c%13ccccc%13)[O-]5)[O-]C(=C2)c%14ccccc%14"	0	""	""	1	1	11979347	""
"647062"	"647062"	"Tris(N,N-diethyldithiocarbonato)(S1,S2)gallium(III)"	"CCN(CC)C1=S[Ga+3]23([SH-]C(=S2)N(CC)CC)([SH-]C(=S3)N(CC)CC)[SH-]1"	0	NA	NA	4	2	NA	""
"647065"	"647065"	"Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate"	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\c3ccccc3)ccc12"	0	""	""	1	1	6277557	""
"647066"	"647066"	"Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarb..."	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\c3ccccn3)ccc12"	0	""	""	1	1	6277558	""
"647067"	"647067"	"Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-..."	"CCOC(=O)c1c(N)c(C(=O)OCC)c2ccc(\C=C\C(=O)OC)ccc12"	0	""	""	1	1	6277559	""
"647092"	"647092"	""	"OC1=C(\C(=N/Nc2cccc(Cl)c2)\C(=O)Nc3ccccc3[N+](=O)[O-])C(=O)Oc4ccccc14"	0	NA	NA	1	1	NA	""
"647099"	"647099"	""	"CC(C)c1cccc(C(C)C)c1NC(=O)\C(=N/NC(=O)C[N+](C)(C)C)\Cc2nc3ccc(Cl)cc3nc2O"	0	NA	NA	1	1	NA	""
"647110"	"647110"	""	"C[N+](C)(C)CC(=O)N\N=C(\Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O)/C(=O)Nc5ccc(Cl)c(Cl)c5"	0	NA	NA	1	1	NA	""
"647117"	"647117"	""	"OC(\C(=N/Nc1ccccc1)\c2cnc3cc(ccc3n2)[N+](=O)[O-])c4ccc(cc4)C(O)\C(=N/Nc5ccccc5)\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"647118"	"647118"	"5-(2,2-Dimethylhydrazinyl)-4-nitro-1-phenyl-1,6-dihydropyridazine"	"CN(C)NC1=C(C=NN(C1)c2ccccc2)[N+](=O)[O-]"	0	""	""	1	1	372167	""
"647122"	"647122"	"N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\c2oc(c3ccccc3Cl)c(c4ccccc4Cl)c2[N+](=O)[O-]"	0	""	""	1	1	9555882	""
"647131"	"647131"	"Hydrazinecarbothioamide, N,N-dihexyl- 2-[1-(2-pyridyl)et..."	"CCCCCCN(CCCCCC)C(=S)N\N=C(/C)\c1ccccn1"	0	""	""	4	2	5868935	""
"647132"	"647132"	""	"CCCCCCN(CCCCCC)C1=S[Cu+2]2([ClH-])[N+](=C(C)c3cccc[n+]23)[N-]1"	0	NA	NA	1	1	NA	""
"647133"	"647133"	"Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"CN(C)C1=S[Cu+2]2([ClH-])([ClH-])[N+](=Cc3cccc(C)[n+]23)N1"	0	""	""	2	2	9578889	""
"647246"	"647246"	"antineoplastic-647246"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O"	0	NA	NA	4	4	NA	""
"647247"	"647247"	"2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydroch..."	"CCN(CC)Cc1c(O)c(OC)ccc1\C=C/c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	5	2	NA	""
"647248"	"647248"	"N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide"	"NC(=S)NNC(=O)\C(=C\c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NNC(=S)N)cc1)\NC(=O)c3ccccc3"	0	""	""	2	1	6474143	""
"647253"	"647253"	"1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea"	"CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN"	0	""	""	1	1	3004348	""
"647254"	"647254"	"N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide"	"CN(C)CC(\C(=N/NC(=O)c1ccncc1)\Cc2ccccc2)c3ccccc3"	0	""	""	1	1	6081287	""
"647255"	"647255"	""	"NNC(=S)N\N=C\C(=C\Nc1ccccc1)\[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"647257"	"647257"	"N-[(E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline"	"[O-][N+](=O)c1c(oc(c2ccc3OCOc3c2)c1c4ccc5OCOc5c4)\C=N\Nc6ccccc6"	0	""	""	1	1	9555889	""
"647260"	"647260"	"2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]prop-2-enyl-trimethylazanium;chloride"	"COc1ccc(cc1OC)c2oc(\C=N\NC(=C)C[N+](C)(C)C)c(c2c3ccc(OC)c(OC)c3)[N+](=O)[O-]"	0	""	""	1	1	9555890	""
"647262"	"647262"	"[2-[(2E)-2-[[4,5-Bis(2-hydroxynaphthalen-1-yl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride"	"C[N+](C)(C)CC(=O)N\N=C\c1oc(c2c(O)ccc3ccccc23)c(c4c(O)ccc5ccccc45)c1[N+](=O)[O-]"	0	""	""	1	1	135483933	""
"647263"	"647263"	"N-[(E)-[4,5-Bis(2-chlorophenyl)-2-furyl]methyleneamino]pyridine-4-carboxamide"	"Clc1ccccc1c2oc(\C=N\NC(=O)c3ccncc3)cc2c4ccccc4Cl"	0	""	""	1	1	9555893	""
"647276"	"647276"	""	"OC(\C(=N\NC(=O)Cc1ccccc1)\c2nc3ccc(cc3nc2O)[N+](=O)[O-])c4ccc(cc4)C(O)\C(=N/NC(=O)Cc5ccccc5)\c6nc7ccc(cc7nc6O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"647313"	"647313"	""	"CCCCN1\C(=N\NC(=O)Cn2c(C)nc3ccccc23)\SC=C1c4ccccc4"	0	NA	NA	1	1	NA	""
"647316"	"647316"	"5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one"	"Fc1cccc2NC(=CC(=O)c12)c3ccccn3"	0	""	""	1	1	372260	""
"647317"	"647317"	"6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one"	"COc1ccc2NC(=CC(=O)c2c1)c3ccccn3"	0	""	""	1	1	372261	""
"647320"	"647320"	"4-(6-Methoxyquinolin-2-yl)phenol"	"COc1ccc2nc(ccc2c1)c3ccc(O)cc3"	0	""	""	1	1	372264	""
"647321"	"647321"	"KUC100258"	"COc1ccc(cc1)C2=CC(=O)c3cc(OC)ccc3N2"	0	""	""	1	1	372265	""
"647322"	"647322"	"Neuro_000352"	"COc1ccc2NC(=CC(=O)c2c1)c3ccc(O)cc3"	0	""	""	4	3	372266	""
"647325"	"647325"	"6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4ccccc4"	0	""	""	4	2	372269	""
"647328"	"647328"	"5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione"	"COc1cc(OC)c2C(=O)C=C(CC3(C)OCCCO3)C(=O)c2c1"	0	""	""	2	1	372272	""
"647329"	"647329"	"6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione"	"COc1cc(OC)c2C(=O)C(=O)C(=Cc2c1)CC3(C)OCCCO3"	0	""	""	2	2	372273	""
"647338"	"647338"	"5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde"	"COc1ccc(cc1)C2CCC(Cl)(CC2C=O)OC"	0	""	""	1	1	372280	""
"647350"	"647350"	"(10E)-10-Bromotricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one"	"Br\C\1=C\c2ccccc2c3ccccc3C(=O)C1"	0	""	""	2	2	5467079	""
"647361"	"647361"	"Ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate"	"CCOC(=O)\C(=C\c1cc(OC)c(OC)c(OC)c1)\I"	0	""	""	1	1	5467081	""
"647363"	"647363"	"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate"	"COc1cc(\C=C(/OC(=O)C)\c2ccc3OCOc3c2)cc(OC)c1OC"	0	""	""	2	1	5351401	""
"647370"	"647370"	"DYHGYAOSFBZYRW-UHFFFAOYSA-N"	"COC(=O)C1CCCC2(C1)OCCO2"	0	""	""	1	1	372311	""
"647394"	"647394"	"5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole"	"Cc1ccc2SC(Sc2c1)c3cc4OCOc4cc3Br"	0	""	""	2	2	372336	""
"647395"	"647395"	"Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(OC(=O)C)C1c3ccccc3c4ccccc24"	0	""	""	2	2	372337	""
"647399"	"647399"	"Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C2(OC)C1c3ccccc3c4ccccc24"	0	""	""	1	1	372341	""
"647421"	"647421"	""	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NC(=N)N)\C"	0	NA	NA	2	1	NA	""
"647424"	"647424"	""	"OC1=C(C(C\C(=N/NC(=O)c2ccncc2)\CCN3CCCC3)c4ccccc4)C(=O)Oc5ccccc15"	0	NA	NA	1	1	NA	""
"647425"	"647425"	""	"C\C(=N/NC(=O)N)\C(CN1CCCCC1)C(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	NA	""
"647427"	"647427"	""	"CN\N=C(\CCN1CCCC1)/CC(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	NA	""
"647428"	"647428"	"N-[(E)-[3-[(Dimethylamino)methyl]-4-(4-hydroxy-2-oxochromen-3-yl)-4-phenylbutan-2-ylidene]amino]-4-methylbenzenesulfonamide;hydrochloride"	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NS(=O)(=O)c4ccc(C)cc4)\C"	0	""	""	2	1	54681746	""
"647463"	"647463"	"6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one"	"Clc1cc(Cl)c(N2N=C3N=C(C=C3NC2=O)c4ccccc4)c(Cl)c1"	0	""	""	1	1	135408947	""
"647471"	"647471"	"9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine"	"CC(=O)OCSc1ncnc2c1ncn2CN3CCOCC3"	0	""	""	1	1	372422	""
"647526"	"647526"	"N-(2-[{6[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxo..."	"COc1cc(cc(OC)c1OC)C(C)c2cc3OCOc3cc2OCCNC(=O)COc4cc5OCOc5cc4C(C)c6cc(OC)c(OC)c(OC)c6"	0	""	""	1	1	372424	""
"647543"	"647543"	"3,4,5,6-Tetrachloro-16,16-dimethoxypentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraene-1-carboxylic acid"	"COC1(OC)C2(Cl)C3C4CC(C3C1(Cl)C(=C2Cl)Cl)(C(=O)O)c5ccccc45"	0	""	""	1	1	372429	""
"647546"	"647546"	"Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate"	"COC(=O)C1=CC2CC1C(C2S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	372432	""
"647548"	"647548"	"1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OCC23CCC(CC2)C4CC34"	0	""	""	1	1	372434	""
"647574"	"647574"	""	"OC(\C(=N/Nc1ccccc1)\C2=Nc3ccc(cc3NC2=O)[N+](=O)[O-])c4ccccc4Cl"	0	NA	NA	1	1	NA	""
"647577"	"647577"	""	"C\C(=N/N)\C(CN1CCOCC1)C(C2=C(O)c3ccccc3OC2=O)c4ccccc4"	0	NA	NA	2	1	NA	""
"647579"	"647579"	""	"OC1=C(C(C\C(=N\NC(=O)CC#N)\CCN2CCCC2)c3ccccc3)C(=O)Oc4ccccc14"	0	NA	NA	2	1	NA	""
"647582"	"647582"	"2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone"	"Cc1ccc(cc1)C(O)\C(=N\N)\c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	135499264	""
"647589"	"647589"	"3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one"	"CN\N=C(/C)\C(CN(C)C)C(C1=C(O)c2ccccc2OC1=O)c3ccccc3"	0	""	""	1	1	54712266	""
"647599"	"647599"	""	"CN(C)CC(C(C1=C(O)c2ccccc2OC1=O)c3ccccc3)\C(=N\NC(=O)N)\C"	0	NA	NA	1	1	NA	""
"647614"	"647614"	""	"C[N+](C)(C)CC(=O)N\N=C(\CC1OC(=O)c2ccccc12)/c3ccccc3O"	0	NA	NA	1	1	NA	""
"647620"	"647620"	"trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platin..."	"CCn1cc[n+](c1)[Pt+4]([ClH-])([ClH-])([ClH-])([ClH-])[n+]2ccn(CC)c2"	0	""	""	1	1	499016	""
"647621"	"647621"	"Ethyl 4-(2-ethoxy-2-oxoethyl)imino-2-methylsulfanyl-6-phenylsulfanylimidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate"	"CCOC(=O)C\N=C\1/N=C(SC)Sc2c(nc(Sc3ccccc3)n12)C(=O)OCC"	0	""	""	1	1	372505	""
"647638"	"647638"	"Xestin A"	"COC(=O)CC1OOC(CCCCCCCCCCCCC\C=C\C=C\C)(OC)C=C1"	0	NA	NA	2	1	NA	""
"647640"	"647640"	"Mycothiazole"	"COC(=O)NCCC(=C)\C=C\CC(O)C(C)(C)c1nc(C\C=C\CC=C)cs1"	0	""	""	3	2	5926799	""
"647641"	"647641"	"Kalihinol Y"	"C[C@@]1(O)CC[C@H]2C([C@H](CCC2=C)[C@@]3(C)CC[C@H](Cl)C(C)(C)O3)[C@H]1[N+]#[C-]"	0	""	""	1	1	6711942	""
"647710"	"647710"	"Pyrrolo[1,2-a]pyrimidine, 2,4,7-trimethyl-6-phenyl"	"Cc1cc(C)n2c(c(C)cc2n1)c3ccccc3"	0	""	""	1	1	372531	""
"647714"	"647714"	"Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hyd..."	"Cc1c(\C=N\NS(=O)(=O)c2ccccc2)no[n+]1[O-]"	0	""	""	1	1	9555896	""
"647720"	"647720"	"Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate"	"CCOC(=O)N1Cc2occc2C1"	0	""	""	1	1	372542	""
"647751"	"647751"	"CCRIS 7542"	"CCN(CC)CCCNc1ccc2nc(C)n3c4ccc(O)cc4C(=O)c1c23"	0	""	""	3	2	154500	""
"647752"	"647752"	"ANTINEOPLASTIC-D647752"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)c6ccc(Cl)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	6711944	""
"647753"	"647753"	"ANTINEOPLASTIC-D647753"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(Cl)cc7)C(=C1C5(C)C)C"	0	""	""	2	2	6711945	""
"647758"	"647758"	"Nonanamide, N-(2-aminoethyl)- N-[2-[(1-oxononyl)amino]et..."	"CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC"	0	""	""	4	2	372547	""
"647763"	"647763"	"Jasplakinolide epoxide C"	"CC1CC(C)C2OC2(C)C[C@H](C)C(=O)NC(C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N[C@H](CC(=O)O1)c5ccc(O)cc5"	0	""	""	2	2	372550	""
"647884"	"647884"	"Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-m..."	"Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc3ncc(Br)cn3"	0	""	""	6	3	372559	""
"647889"	"647889"	"N-(17.beta.-Dimethylamino-3.beta.-androstanyl)-N'-[2-phe..."	"CN(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)NC(Cc5ccccc5)c6nccs6"	0	NA	NA	4	1	NA	""
"647928"	"647928"	"HGQCWSSCAYOKJM-UHFFFAOYSA-N"	"[O-][N+](=O)c1cc(c(cc1C#N)N(CCCl)CCCl)[N+](=O)[O-]"	0	""	""	1	1	372566	""
"647939"	"647939"	"N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine"	"COc1ccc(CCNCCCC2c3ccccc3c4ccccc24)cc1OC"	0	""	""	3	1	372579	""
"647940"	"647940"	"4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione"	"O=C1CCCC2=C(N1)C(=O)C=CC2=O"	0	""	""	4	2	372580	""
"647941"	"647941"	"4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione"	"Cc1cnc2C(=O)C3=C(C(O)CC(C)(C)O3)C(=O)c2c1"	0	""	""	1	1	372581	""
"647959"	"647959"	"N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide"	"O=S(=O)(N(CCC#N)c1ccc(\C=N\c2ccccc2)cc1)c3ccccc3"	0	""	""	1	1	372598	""
"647965"	"647965"	"N-(2-Methoxyphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide"	"COc1ccccc1NC(=O)CC(=O)n2nc(c3ccccc3)c(N=Nc4ccccc4[N+](=O)[O-])c2c5ccccc5"	0	""	""	1	1	372604	""
"647967"	"647967"	"N-(4-Chlorophenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide"	"[O-][N+](=O)c1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	372606	""
"647968"	"647968"	"[4-[(E)-(4-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone"	"[O-][N+](=O)c1ccc(cc1)N=Nc2c(nn(C(=O)c3ccncc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	372607	""
"648059"	"648059"	"3H-Pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid, 9-amin..."	"Nc1ccc2N3C=C(C(=O)O)C(=O)c4cc(F)c(F)c(Oc2c1)c34"	0	""	""	1	1	372621	""
"648060"	"648060"	"Viridenomycin"	"COC1[C@@H](O)[C@]2(C)\C=C\C=C\C=C/C=C\C(=O)NC(C\C=C/C=C/C=C/C=C(\C)/OC(=O)C2=C1O)c3ccccc3"	0	""	""	2	1	54686230	""
"648071"	"648071"	"2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate"	"CCN(CC)c1ccc(N=Nc2ccc(cc2OC(=O)\C=C\c3ccccc3)[N+](=O)[O-])c(OC(=O)\C=C\c4ccccc4)c1"	0	""	""	2	2	5812861	""
"648072"	"648072"	"9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one"	"O=C1N(Cc2nc3ccccc3c(c4ccccc4)c12)Nc5ccccn5"	0	""	""	4	3	372627	""
"648083"	"648083"	"Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate"	"COC(=O)CC(c1ccccc1)C2(SCCS2)c3ccccc3"	0	""	""	1	1	372634	""
"648094"	"648094"	"4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone"	"CC1(SCCCS1)C2COC(=O)C2"	0	""	""	1	1	372640	""
"648096"	"648096"	"Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate"	"COC(=O)C(CC(=O)c1cc2OCOc2cc1I)Cc3cc(OC)c(OC)c(OC)c3I"	0	""	""	1	1	372642	""
"648098"	"648098"	"4-Chloro-3,5-dimethyl-1-propoxy-1,2-dihydrophosphinine 1-oxide"	"CCCOP1(=O)CC(=C(Cl)C(=C1)C)C"	0	""	""	1	1	372644	""
"648099"	"648099"	"4-(Dichloromethylidene)-3,5-dimethyl-1-(propan-2-yloxy)-1,4-dihydrophosphinine 1-oxide"	"CC(C)OP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	1	1	372645	""
"648100"	"648100"	"1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide"	"CCCCOP1(=O)C=C(C)C(=C(Cl)Cl)C(=C1)C"	0	""	""	2	1	372646	""
"648114"	"648114"	"ANTINEOPLASTIC-D648114"	"CN(C)[C@@H]1CC[C@@H](CC1)N2N=C3C(=CN(C4CC4)c5c(F)c(c(F)cc35)c6cc(C)nc(C)c6)C2=O"	0	""	""	3	2	372647	""
"648147"	"648147"	"6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1cc2C(=O)C=CC(=O)c2c3c1c4ccccc4n3C"	0	""	""	3	3	372650	""
"648148"	"648148"	"5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1cc2c3ccccc3n(C)c2c4C(=O)C=CC(=O)c14"	0	""	""	3	2	372651	""
"648150"	"648150"	"11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3cc(c4ccccc4)c5C(=O)C=CC(=O)c5c13"	0	""	""	3	3	372653	""
"648151"	"648151"	"6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"Cc1cc2c3ccccc3n(C)c2c4C(=O)c5ccccc5C(=O)c14"	0	""	""	1	1	372654	""
"648152"	"648152"	"12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione"	"Cn1c2ccccc2c3cc(c4ccccc4)c5C(=O)c6ccccc6C(=O)c5c13"	0	""	""	1	1	372655	""
"648154"	"648154"	""	"CC(C)(C)C1CC[C@@H]2[C@H](C1)[C@H]3[C@H](C(=O)N(C3=O)c4ccccc4)c5[nH]c6ccc(Br)cc6c25"	0	NA	NA	1	1	NA	""
"648204"	"648204"	"1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"C1SC(c2ccccc2)n3c1nc4ccccc34"	0	""	""	1	1	372671	""
"648206"	"648206"	"Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-"	"COc1cc(C=O)c(c(OC)c1OC)c2cc3OCOc3cc2C4(C)OCCS4"	0	""	""	2	2	372673	""
"648207"	"648207"	"Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylidene]propanedioate"	"COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1c2cc3OCOc3cc2C4(C)OCCS4)C(=O)OC"	0	""	""	1	1	372674	""
"648211"	"648211"	"9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole"	"Cn1c2CCCC(c3cc4ccccc4n3C)c2c5ccccc15"	0	""	""	1	1	372678	""
"648213"	"648213"	"1,2-Di(1H-indol-2-yl)-1,2-ethanedione"	"O=C(C(=O)c1cc2ccccc2[nH]1)c3cc4ccccc4[nH]3"	0	""	""	2	2	372680	""
"648225"	"648225"	""	"CCC12CCCN(Cc3ccccc3)C1c4c([C@@H](C2)C(=O)OC)n(C)c5ccccc45"	0	NA	NA	1	1	NA	""
"648263"	"648263"	"3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione"	"CC1=CSC(=S)N1OC(=O)NC2CCCCC2"	0	""	""	2	1	372703	""
"648265"	"648265"	"[3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin"	"C\C=C\C[C@@H](C)C(=O)C1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C"	0	""	""	2	1	5467197	""
"648270"	"648270"	""	"CN(C)CCCNc1ccnc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"648273"	"648273"	""	"CN(C)CCCNc1c(C)c(C)nc2cc(ccc12)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"648303"	"648303"	"4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O"	0	""	""	1	1	372720	""
"648304"	"648304"	"3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"BrC1(Br)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	372721	""
"648305"	"648305"	"3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"BrC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	372722	""
"648316"	"648316"	""	"Cc1ccc2N=C(N)NC(=O)c2c1Sc3ccncc3"	0	NA	NA	2	2	NA	""
"648322"	"648322"	"Incarnal"	"CC1(C)C[C@@]2(O)C(=CC3=CC(=O)C(=C)C23C)C1=O"	0	NA	NA	3	3	NA	""
"648331"	"648331"	"Germacatechol"	"CO.C[OH+][Ge+4]12([OH+]C)([O-]c3ccccc3[O-]1)[O-]c4ccccc4[O-]2"	0	NA	NA	1	1	NA	""
"648341"	"648341"	"Saprothoquinone"	"CC(C)C1=Cc2ccc(C)c(CCC=C(C)C)c2C(=O)C1=O"	0	""	""	1	1	372741	""
"648360"	"648360"	"Benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl) thioxome..."	"CC(C)C(OC(=O)c1cc(NC(=S)c2sccc2C)ccc1Cl)C(C)C"	0	""	""	1	1	3000898	""
"648365"	"648365"	"insulin-methotrexate conjugate"	""	0	NA	NA	2	2	NA	""
"648374"	"648374"	""	"CC1(C)CC(=C(C#N)C(=O)O1)\C=C/2\OC(=O)c3ccccc23"	0	NA	NA	1	1	NA	""
"648386"	"648386"	"Reveromycin A"	"CCCCC1(CCC2(CCC(C)C(C\C=C(/C)\C=C\C(O)C(C)\C=C\C(=O)O)O2)OC1CC\C(=C\C(=O)O)\C)OC(=O)CCC(=O)O"	0	NA	NA	2	1	NA	""
"648405"	"648405"	"12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine"	"Cc1ccc(cc1)S(=O)(=O)c2c(N)c3nc4ccccc4n3c5nc6ccccc6nc25"	0	""	""	1	1	372781	""
"648407"	"648407"	"1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde"	"O=CC1=CCCN(CCc2c[nH]c3ccccc23)C1"	0	""	""	1	1	372783	""
"648419"	"648419"	"NCIMech_000673"	"COc1cc(CC(=O)c2cc3OCOc3cc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	372796	""
"648421"	"648421"	"5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole"	"Brc1ccc(cc1)c2cc3OCOc3cc2C4SCCS4"	0	""	""	1	1	372798	""
"648422"	"648422"	"5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole"	"COc1cc(\C=C(/C)\c2ccc3OCOc3c2)cc(OC)c1OC"	0	""	""	1	1	5351406	""
"648424"	"648424"	"1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole"	"COc1cc2cc(OC)c3cc4OCOc4cc3c2c(OC)c1OC"	0	""	""	2	1	372801	""
"648489"	"648489"	"(5S)-5-[4-(Dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3C(COC3=O)[C@H](N(C)c4ccc(cc4)N(C)C)c5cc6OCOc6cc25"	0	""	""	3	2	372828	""
"648490"	"648490"	"(5S,5As)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](N(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	372830	""
"648535"	"648535"	"Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-1-(p-tolyl)-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2=C(C1c3ccccc3)C(=O)N(C2c4ccccc4)c5ccccc5)c6ccc(C)cc6"	0	""	""	1	1	372843	""
"648543"	"648543"	"N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride"	"COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	5	2	NA	""
"648552"	"648552"	"1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline"	"CC(=CC1CCc2ccccc2N1S(=O)(=O)c3ccc(C)cc3)C"	0	""	""	2	2	372862	""
"648553"	"648553"	"1-Tosyl-2,3-diphenyl-1H-indole"	"Cc1ccc(cc1)S(=O)(=O)n2c(c3ccccc3)c(c4ccccc4)c5ccccc25"	0	""	""	1	1	372863	""
"648556"	"648556"	""	"Cc1ccc(cc1)S(=O)(=O)N2[C@@H]3C=CCC[C@@H]3c4ccccc24"	0	NA	NA	5	2	NA	""
"648557"	"648557"	"3-(1-Hexenyl)-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline"	"CCCC\C=C\C1Cc2ccccc2CN1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	5467212	""
"648558"	"648558"	"Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-"	"Cc1ccc(cc1)S(=O)(=O)N2c3ccccc3C(=C)C24CCCCC4"	0	""	""	1	1	372868	""
"648581"	"648581"	"Neuro_000355"	"COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1O"	0	""	""	4	3	372869	""
"648587"	"648587"	"N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2,4-dinitroaniline"	"C\C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\c2sc(nc2C)n3nc(cc3c4ccccc4)c5ccccc5"	0	""	""	1	1	9571359	""
"648598"	"648598"	"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide"	"CCOc1ccc(NC(=O)C(=O)C2C(=O)Nc3ccccc3S2=O)cc1"	0	""	""	1	1	372886	""
"648605"	"648605"	"Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)C)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	""	""	1	1	372893	""
"648609"	"648609"	"Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	""	""	1	1	372897	""
"648610"	"648610"	"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide"	"Oc1nc2cc(ccc2nc1CC(=O)C(=O)Nc3ccccc3[N+](=O)[O-])C(=O)c4ccccc4"	0	""	""	1	1	372898	""
"648611"	"648611"	"N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide"	"CCc1cccc(C(C)C)c1NC(=O)C(=O)NN2C(=Nc3ccccc3C2=O)S"	0	""	""	1	1	3000688	""
"648613"	"648613"	"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate"	"COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	""	""	1	1	372901	""
"648615"	"648615"	"N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide"	"OC1=C(C(=O)C(=O)Nc2ccccc2C#N)C(=O)Oc3ccccc13"	0	""	""	1	1	54695476	""
"648617"	"648617"	"Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate"	"COC(=O)C(C(=O)C(=O)Nc1cccc(c1)C(F)(F)F)\C(=N\NC(=S)NN)\C(=O)OC"	0	""	""	1	1	9571361	""
"648618"	"648618"	"Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-"	"FC(F)(F)c1cc(Cl)ccc1NC(=O)C(=O)NN2C(=Nc3ccccc3C2=O)S"	0	""	""	1	1	3003533	""
"648627"	"648627"	"Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate"	"COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c2nc3ccc(Cl)cc3nc2O"	0	""	""	1	1	372915	""
"648628"	"648628"	"2-{[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanoyl]amino}benzamide"	"NC(=O)c1ccccc1NC(=O)C(=O)C(c2cnc3ccc(cc3n2)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	372916	""
"648633"	"648633"	"N-(2,5-Dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide"	"Cc1ccc(C)c(NC(=O)C(=O)C(c2cnc3ccc(cc3n2)[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	372921	""
"648644"	"648644"	"Dimethyl 2-{[(2,6-dichloro-4-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate"	"COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])C(=O)C(=O)OC"	0	""	""	1	1	372932	""
"648648"	"648648"	"Methyl-4-(2-chloro-5-(trifluoromethyl)phenyl amino)-2-((..."	"COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc3cc(ccc3Cl)C(F)(F)F"	0	""	""	1	1	372936	""
"648652"	"648652"	"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate"	"CCOc1ccc(NC(=O)\C(=N\N)\C(C(=O)OC)c2nc3ccc(Cl)cc3nc2O)cc1"	0	""	""	1	1	5900389	""
"648653"	"648653"	"N-[(E)-[3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-(4-chloro-2-methylanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide"	"Cc1cc(Cl)ccc1NC(=O)\C(=N\NC(=O)c2ccncc2)\Cc3nc4ccc(cc4nc3O)C(=O)c5ccccc5"	0	""	""	1	1	5900390	""
"648655"	"648655"	"Methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazinylidene)butanoate"	"COC(=O)C(\C(=N\NC(=O)c1ccncc1)\C(=O)Nc2ccccc2OC)c3nc4ccc(Cl)cc4nc3O"	0	""	""	1	1	5900391	""
"648656"	"648656"	"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate"	"COC(=O)C(\C(=N\N)\C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c2nc3ccc(Cl)cc3nc2O"	0	""	""	1	1	9571367	""
"648660"	"648660"	"(2Z)-N-(2,5-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide"	"Cc1ccc(C)c(NC(=O)\C(=N/N)\C(c2cnc3ccc(cc3n2)[N+](=O)[O-])[N+](=O)[O-])c1"	0	""	""	1	1	5900400	""
"648664"	"648664"	"Methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate"	"COC(=O)C(\C(=N\NC(=O)N)\C(=O)Nc1ccc(C)cc1)c2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	""	""	1	1	5900401	""
"648770"	"648770"	"ANTINEOPLASTIC-648770"	"COc1cc2CCC(NC(=O)c3ccc(Cl)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	372982	""
"648771"	"648771"	"ANTINEOPLASTIC-648771"	"COc1cc(cc(OC)c1OC)C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24"	0	""	""	2	2	372983	""
"648773"	"648773"	"ANTINEOPLASTIC-648773"	"COc1cc2CCC(NC(=O)c3ccc(cc3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372985	""
"648774"	"648774"	"(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3ccc(F)cc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372986	""
"648775"	"648775"	"(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1ccc(OC(=O)CC2Cc3cc(OC)c(OC)c(OC)c3C4=CC=C(SC)C(=O)C=C24)cc1"	0	""	""	2	2	372987	""
"648776"	"648776"	"ANTINEOPLASTIC-648776"	"COc1cc2CC(CC(=O)Oc3ccccc3F)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	372988	""
"648778"	"648778"	"ANTINEOPLASTIC-648778"	"COc1cc2CC(CC(=O)Oc3ccc(cc3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372990	""
"648779"	"648779"	"(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3cccc(c3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372991	""
"648780"	"648780"	"ANTINEOPLASTIC-648780"	"COc1cc2CC(=C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	2	2	372992	""
"648781"	"648781"	"(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate"	"COc1cc2CC(CC(=O)Oc3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372993	""
"648784"	"648784"	"ANTINEOPLASTIC-648784"	"COc1cc2CCC(NCc3ccc(cc3)C#N)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	372996	""
"648785"	"648785"	"ANTINEOPLASTIC-648785"	"COc1cc2CCC(NCc3cccc(c3)[N+](=O)[O-])C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	1	1	372997	""
"648791"	"648791"	"N-(4,8-Dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide"	"COC1=CC=C2C(=C(Cl)C1=O)C(CCc3c(Cl)c(OC)c(OC)c(OC)c23)NC(=O)C"	0	""	""	2	2	373003	""
"648847"	"648847"	""	"COC(=O)CC1NC(=O)[C@@H]1C(C)O"	0	NA	NA	1	1	NA	""
"648864"	"648864"	"1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-"	"CC1(C)CNCC(C)(OCc2ccccc2)C(=O)NC(C)(C)CNCC(C)(OCc3ccccc3)C(=O)N1"	0	""	""	1	1	373031	""
"648883"	"648883"	"4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione"	"O=C1Oc2cc3OC=CC(=O)c3cc2C(=C1)c4ccccc4"	0	""	""	1	1	373050	""
"648910"	"648910"	"Hydramycin"	"Cc1cc2C(=O)c3cccc(O)c3C(=O)c2c4OC(=CC(=O)c14)C(O)(CO)C5CO5"	0	""	""	4	2	373075	""
"649000"	"649000"	"1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide"	"CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2"	0	""	""	1	1	373080	""
"649001"	"649001"	"2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide"	"CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2"	0	""	""	1	1	373082	""
"649005"	"649005"	""	"CCOC(=O)C1=C(C)N(Cc2ccccc2)\C(=N\Nc3nc4ccccc4cc3C5OCCO5)\S1"	0	NA	NA	1	1	NA	""
"649007"	"649007"	"Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate"	"CCOC1(COP(=O)(OCc2ccccc2)OCc3ccccc3)COC(COP(=O)(OCc4ccccc4)OCc5ccccc5)(CO1)OCC"	0	""	""	1	1	373087	""
"649010"	"649010"	"[(E)-[1-(2-Chloroethyl)indol-3-yl]methyleneamino]thiourea"	"NC(=S)N\N=C\c1cn(CCCl)c2ccccc12"	0	""	""	1	1	9554732	""
"649044"	"649044"	"2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one"	"COC1=CC=C(C)C=C(O)C1=O"	0	""	""	1	1	373102	""
"649075"	"649075"	"3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione"	"CCOC1C(Br)CN2N(C1C)C(=O)c3cc4ccccc4cc3C2=O"	0	""	""	1	1	373133	""
"649082"	"649082"	"2',3',4'-Trimethoxy-5-hydroxyflavone"	"COc1ccc(C2=CC(=O)c3c(O)cccc3O2)c(OC)c1OC"	0	""	""	1	1	373139	""
"649084"	"649084"	"4H-1-Benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-"	"COc1ccc(C2=CC(=O)c3cc(O)ccc3O2)c(OC)c1OC"	0	""	""	1	1	373141	""
"649087"	"649087"	"7,2',3',4'-Tetramethoxyflavone"	"COc1ccc2C(=O)C=C(Oc2c1)c3ccc(OC)c(OC)c3OC"	0	""	""	2	1	373144	""
"649091"	"649091"	"2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride"	"CCN(CC)Cc1cc(Nc2c3ccccc3nc4c5ccccc5n(C)c24)ccc1O"	0	""	""	2	1	373149	""
"649095"	"649095"	"6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one"	"CN1C(=Cc2snc(C)c2C1=O)Cl"	0	""	""	1	1	373154	""
"649100"	"649100"	"N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide"	"CC(C)(C)C(=CS(=O)\N=C\c1ccccc1)C(C)(C)C"	0	""	""	1	1	9571369	""
"649107"	"649107"	"6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one"	"COc1ccc2C3=C(N(Cc4ccccc4)C(=O)c2c1)c5cc(OC)c(OC)cc5C3C"	0	""	""	2	2	373164	""
"649118"	"649118"	"6-(3-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	373169	""
"649119"	"649119"	"6-(2-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	1	1	373170	""
"649121"	"649121"	"6-[4-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"CN(C)c1ccc(cc1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	1	1	373172	""
"649122"	"649122"	"6-[3-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"CN(C)c1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	373173	""
"649126"	"649126"	"6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccs4"	0	""	""	2	2	373177	""
"649127"	"649127"	"6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4c[nH]c5ccccc45"	0	""	""	1	1	373178	""
"649128"	"649128"	"OR309299"	"Cc1cccc2C(=O)C=C(Nc12)c3ccccc3"	0	""	""	1	1	373179	""
"649129"	"649129"	"ACM439147123"	"Clc1cccc2C(=O)C=C(Nc12)c3ccccc3"	0	""	""	1	1	373180	""
"649147"	"649147"	"Methyl 18-(benzenesulfonyl)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate"	"COC(=O)C1C=CCON2CCc3c(C12)n(c4ccccc34)S(=O)(=O)c5ccccc5"	0	""	""	3	1	373183	""
"649148"	"649148"	"N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine"	"COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC"	0	""	""	2	1	373184	""
"649150"	"649150"	"Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	373186	""
"649153"	"649153"	"4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one"	"OCCNCCNc1ccc(O)c2C(=N)c3ccccc3C(=O)c12"	0	""	""	2	2	438629	""
"649156"	"649156"	"1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethanone"	"CC(=O)n1ccc2c(Cl)ncnc12"	0	""	""	2	1	373190	""
"649157"	"649157"	""	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2CCc3ccccc23"	0	NA	NA	2	1	NA	""
"649167"	"649167"	"5-Nitro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol"	"[O-][N+](=O)c1ccc(N\N=C\2/C(=O)Nc3ccc(cc23)[N+](=O)[O-])cc1"	0	""	""	1	1	4316336	""
"649175"	"649175"	"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=N/NC(=S)N)\c3ccc(cc23)[N+](=O)[O-]"	0	""	""	1	1	4402219	""
"649177"	"649177"	"[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=N/NC(=S)N)\c3cc(Br)ccc23"	0	""	""	1	1	3808513	""
"649178"	"649178"	"5-bromo-6-nitroisatin"	"[O-][N+](=O)c1cc2NC(=O)C(=O)c2cc1Br"	0	""	""	1	1	373211	""
"649240"	"649240"	"Tert-butyl N-[1-[4-[[4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate"	"CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(n2)c3c4ccccc4cn3C)cc1"	0	""	""	3	3	373233	""
"649244"	"649244"	""	"Cn1cc2ccccc2c1c3nc(F)nc(Oc4ccc5C6CC[C@]7(C)[C@@H](O)CCC7[C@@H]6CCc5c4)n3"	0	NA	NA	2	1	NA	""
"649246"	"649246"	""	"Cn1cc2ccccc2c1c3nc(F)nc(OCC(=O)[C@H]4CCC5[C@@H]6CCC7=CC(=O)CC[C@]7(C)C6[C@@H](O)C[C@]45C)n3"	0	NA	NA	2	2	NA	""
"649270"	"649270"	"Benzo[d]naphtho[1,2-b]pyran-6-one, 1-hydroxy-10-methyl-7..."	"CC1CCCC2=C1c3ccc4c(O)cccc4c3OC2=O"	0	""	""	1	1	373241	""
"649287"	"649287"	"1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one"	"COc1cccc2OC(C)(C)C3CCC(=O)C=C3c12"	0	""	""	1	1	373246	""
"649306"	"649306"	"Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate"	"CCOC1[C@H]2CC=C[C@H]2C3=C4C5=C1[Fe+]345(C#O)(C#O)P(c6ccccc6)(c7ccccc7)c8ccccc8.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	""	""	1	1	499036	""
"649307"	"649307"	"Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron"	"CCOC1[C@H]2C3=C4C5=C(C(=O)[C@@]2(C)C[CH-]1[Fe+2]6789(C#O)(C#O)C%10=C6[CH-]7C8=C9%10)[Fe]345(C#O)(C#O)C#O"	0	""	""	1	1	499038	""
"649310"	"649310"	""	"O=C1[C@H]2CCC(C3OCCO3)[C@H]2C4=C5C6=C1[Fe]456(C#O)(C#O)C#O"	0	NA	NA	3	2	NA	""
"649311"	"649311"	"tropolone, 4-chloro-6,7-dimethoxy-"	"COC1=C(OC)C(=O)C(=CC(=C1)Cl)O"	0	""	""	2	1	373247	""
"649312"	"649312"	"3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone"	"CSc1cnc2ccccc2c1SC3=CNc4ccccc4C3=O"	0	""	""	2	1	373248	""
"649313"	"649313"	"1-Methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1H)- qu..."	"CSc1cnc2ccccc2c1SC3=CN(C)c4ccccc4C3=O"	0	""	""	1	1	373249	""
"649318"	"649318"	""	"CN\C=C(/C(=O)c1ccc(OC)c(OC)c1)\c2ccc(OC)cc2"	0	NA	NA	1	1	NA	""
"649351"	"649351"	"N-Butyl-8-[4-(butylsulfamoyl)phenyl]-5,5-dioxo-dibenzothiophene-3-sulfonamide"	"CCCCNS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c4ccc(cc4S3(=O)=O)S(=O)(=O)NCCCC"	0	""	""	1	1	373257	""
"649417"	"649417"	"Methyl 3-oxo-3-((phenylthio)oxy)propanoate"	"COC(=O)CC(=O)OSc1ccccc1"	0	""	""	1	1	373265	""
"649431"	"649431"	"2-Diazonio-1-[2-(5-oxohex-1-yn-1-yl)phenyl]prop-1-en-1-olate"	"CC(=O)CCC#Cc1ccccc1C(=O)C(=[N+]=[N-])C"	0	""	""	1	1	373279	""
"649433"	"649433"	"2-Diazonio-1-[2-(4-phenylbut-1-yn-1-yl)phenyl]ethenolate"	"[N-]=[N+]=CC(=O)c1ccccc1C#CCCc2ccccc2"	0	""	""	1	1	373282	""
"649437"	"649437"	"Methyl 2-(1,7-octadiynyl)benzoate"	"COC(=O)c1ccccc1C#CCCCCC#C"	0	""	""	1	1	373288	""
"649438"	"649438"	"3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one"	"CCOC1(Cc2ccccc2CC=C)OC(=O)c3ccccc13"	0	""	""	1	1	373289	""
"649456"	"649456"	"Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate"	"COC(=O)CC(=O)C(CCOCC=C)CC=C"	0	""	""	1	1	373310	""
"649467"	"649467"	"2-[2-[4,5-Bis(benzenesulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethoxy-tert-butyl-dimethylsilane"	"CC(C)(C)[Si](C)(C)OCCc1ccccc1C2CC3(ON2CC3S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	373323	""
"649468"	"649468"	"2-[5-(Benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]ethoxy-tert-butyl-dimethylsilane"	"CC(C)(C)[Si](C)(C)OCCC1CC2(ON1CC2S(=O)(=O)c3ccccc3)S(=O)(=O)C4=CC=C=C=C4"	0	""	""	1	1	373324	""
"649471"	"649471"	"2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol"	"CC(C)(O)C(=C=C)Sc1ccccc1"	0	""	""	1	1	373327	""
"649484"	"649484"	""	"CCCCCCCOc1ccc(\C=C/c2cc[n+](CCCCCCCC[n+]3ccc(\C=C/c4ccc(OCCCCCCC)cc4)cc3)cc2)cc1"	0	NA	NA	1	1	NA	""
"649491"	"649491"	"2',6'-Dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4ccccc4C3=O)C=C(Br)C1=O"	0	""	""	1	1	373332	""
"649567"	"649567"	"(2Z)-N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide"	"O\N=C(\CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3)/C(=O)NC4=C(Cl)C(=O)c5ccccc5C4=O"	0	""	""	1	1	54692865	""
"649574"	"649574"	""	"CC(C)(C)N\N=C(\Cc1nc2c3C(=O)c4ccccc4C(=O)c3ccc2nc1O)/C(=O)NC5=C(Cl)C(=O)c6ccccc6C5=O"	0	NA	NA	1	1	NA	""
"649576"	"649576"	"(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide"	"CC(C)(C)N\N=C(\C1C=CCS1(=O)=O)/C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	9571372	""
"649577"	"649577"	"2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxoacetamide"	"CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	373362	""
"649578"	"649578"	"N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide"	"OC1=C(COc2ccccc12)C(=O)C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	373363	""
"649587"	"649587"	"2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(7-hydroxynaphthalen-1-yl)-2-oxoacetamide"	"CC1(C)CC(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)C1C(=O)C(=O)Nc4cccc5ccc(O)cc45"	0	""	""	1	1	373374	""
"649612"	"649612"	"3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine"	"C1CCC2SC3(ON=C(N3CC2C1)c4ccccc4)c5ccccc5"	0	""	""	1	1	373385	""
"649639"	"649639"	""	"O=C1C(CN(Cc2ccccc2)Cc3ccccc3)CCCC1CN(Cc4ccccc4)Cc5ccccc5"	0	NA	NA	3	2	NA	""
"649651"	"649651"	"17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene"	"COc1cc2CSCc3c(C)sc(CSCc1cc2OC)c3Br"	0	""	""	1	1	373408	""
"649664"	"649664"	"10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene"	"C1C2=C(Nc3ncnn3C2c4ccccc4)c5ccccc15"	0	""	""	1	1	373409	""
"649666"	"649666"	"2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione"	"COC1=C(OC)C(=O)C2=C(C=C(C)C(=O)C(=C2)C)C1=O"	0	""	""	3	2	373411	""
"649667"	"649667"	"2,3-dibromobenzo[7]annulene-1,4,7-trione"	"BrC1=C(Br)C(=O)C2=C(C=CC(=O)C=C2)C1=O"	0	""	""	3	2	373412	""
"649677"	"649677"	"N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4c5cc(NC6OC(CO)C(O)C(O)C6O)ccc5[nH]c24"	0	""	""	3	3	5465490	""
"649748"	"649748"	"2-Didin"	"Cc1noc(NC2=C\C(=N/c3onc(C)c3C)\c4ccccc4C2=O)c1C"	0	""	""	1	1	9571373	""
"649750"	"649750"	"2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone"	"Cc1onc(NC2=C\C(=N/c3cc(C)on3)\c4ccccc4C2=O)c1"	0	""	""	2	2	373420	""
"649752"	"649752"	"1-(4-bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine"	"CNS(=O)(=O)NNS(=O)(=O)c1ccc(Br)cc1"	0	""	""	1	1	373421	""
"649801"	"649801"	""	"COc1ccccc1NC(=O)\C(=N/NC(=O)C[N+](C)(C)C)\Cc2nc3ccc(cc3nc2O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"649803"	"649803"	"5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione"	"O=C1CCCCCCCCCCC1CC2C(=O)NC(=O)NC2=O"	0	""	""	1	1	373445	""
"649808"	"649808"	""	"Cc1ccc(NC(=O)\C(=N/NC(=O)C[n+]2ccccc2)\Cc3nc4ccc(cc4nc3O)[N+](=O)[O-])c(C)c1"	0	NA	NA	1	1	NA	""
"649811"	"649811"	"2H-1-Benzopyran-3-acetamide, N-(3-chloro-1,4-dioxo- 2-na..."	"OC1=C(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)Oc4ccccc14"	0	""	""	2	2	54693275	""
"649814"	"649814"	"5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione"	"CC1(C)CC(=O)C(CCC(=O)\C=C\c2ccccc2)C(=O)C1"	0	""	""	2	1	6291329	""
"649816"	"649816"	""	"Cc1ccc(NC(=O)\C(=N\NC(C)(C)C)\CC2Nc3c(NC2O)ccc4C(=O)c5ccccc5C(=O)c34)cc1"	0	NA	NA	1	1	NA	""
"649825"	"649825"	"N-(4-Bromo-2,6-dimethylphenyl)-2-[5-[(1,3-dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-2-oxoacetamide"	"Cc1cc(Br)cc(C)c1NC(=O)C(=O)C2C(=O)C(CC3C(=O)c4ccccc4C3=O)C(=O)CC2(C)C"	0	""	""	1	1	373469	""
"649826"	"649826"	"(2E)-N-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)-2-(7-hydroxy-2,4-dioxochromen-3-ylidene)-2-[(2-pyridin-1-ium-1-ylacetyl)diazenyl]acetamide;chloride"	"OC1=C(\C(=N\NC(=O)C[n+]2ccccc2)\C(=O)NC3=C(Cl)C(=O)c4ccccc4C3=O)C(=O)Oc5cc(O)ccc15"	0	""	""	1	1	135483951	""
"649836"	"649836"	""	"COC(=O)\C(=N\NC(=O)N)\C(C(=O)C(=O)Nc1ccc(C)cc1)c2nc3ccc(cc3nc2O)C(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"649890"	"649890"	"Alvocidib"	"CN1CC[C@H]([C@@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	"CCNT1|PK:STK,CDK,CDK1,CDK2,CDK4,CDK6,CDK7,CDK8,CDK9"	"Clinical trial"	11	6	NA	"131740095"
"649892"	"649892"	"N-(Tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide"	"CN(C(=O)C12C3C4C1C5C2C3C45I)C(C)(C)C"	0	""	""	2	1	373485	""
"649895"	"649895"	"2-Cuban-1-ylsulfanylpyridine"	"S(c1ccccn1)C23C4C5C6C(C2C46)C35"	0	""	""	2	1	373488	""
"649900"	"649900"	"Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro- 2-(..."	"Cc1c(CCCl)c(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	3	3	373493	""
"649902"	"649902"	"2-Methyl-4-[(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)diazenyl]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione"	"CN1C(=O)N2C(=C(N=NC3=C4Nc5ccccc5N4C(=O)N(C)C3=O)C1=O)Nc6ccccc26"	0	""	""	1	1	373494	""
"649903"	"649903"	"(2E)-2-Butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	2	2	5467289	""
"649904"	"649904"	"Cyclopentanone, 5-[(4-morpholinyl)methyl]-2-pentylidene-..."	"CCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	4	2	5467291	""
"649906"	"649906"	"(5E)-2-[(Dimethylamino)methyl]-5-hexylidenecyclopentan-1-one"	"CCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	2	2	5467295	""
"649907"	"649907"	"(2E)-2-Heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	2	1	5467296	""
"649908"	"649908"	"(5E)-2-[(Dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride"	"CCCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	2	2	5467298	""
"649909"	"649909"	"(2E)-2-Decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride"	"CCCCCCCCC\C=C\1/CCC(CN(C)C)C1=O"	0	""	""	1	1	5467300	""
"649910"	"649910"	"(2E)-2-Decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride"	"CCCCCCCCC\C=C\1/CCC(CN2CCOCC2)C1=O"	0	""	""	3	2	5467302	""
"649970"	"649970"	""	"COc1cc2O[C@H]3[C@H](COc4ccccc34)c2c(C)c1O"	0	NA	NA	1	1	NA	""
"649975"	"649975"	""	"COc1ccc(cc1OC)C2Oc3ccc(O)cc3[C@@H]2C"	0	NA	NA	1	1	NA	""
"649976"	"649976"	""	"COc1ccc(cc1)C2Oc3cc(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	NA	""
"649977"	"649977"	""	"COc1cc2OC([C@@H](C)c2cc1O)c3ccccc3OC"	0	NA	NA	1	1	NA	""
"649978"	"649978"	""	"COc1ccc(cc1OC)C2Oc3cc(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	NA	""
"649979"	"649979"	""	"COc1cc2OC([C@@H](C)c2cc1O)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"649981"	"649981"	""	"COc1ccc(cc1OC)C2Oc3c(C)c(OC)c(O)cc3[C@@H]2C"	0	NA	NA	1	1	NA	""
"649998"	"649998"	"N-(3-Chloro-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide"	"ClC1C(N(NC(=O)Cc2ccccc2)C1=O)c3ccccc3"	0	""	""	1	1	373545	""
"649999"	"649999"	"N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1ccccc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	373546	""
"650001"	"650001"	"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"[O-][N+](=O)c1cccc(c1)C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	2	2	373548	""
"650011"	"650011"	"N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1c(Br)cc(Br)cc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	373558	""
"650012"	"650012"	"N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide"	"Oc1ccc(Br)cc1C2C(Cl)C(=O)N2NC(=O)Cc3ccccc3"	0	""	""	1	1	373559	""
"650014"	"650014"	"3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"Oc1ccccc1C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	373561	""
"650015"	"650015"	"3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"Oc1cccc(c1)C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	373562	""
"650018"	"650018"	"3-[3-Chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one"	"[O-][N+](=O)c1ccc(cc1)C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	373565	""
"650021"	"650021"	"3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"ClC1C(N(N2C=Nc3ccccc3C2=O)C1=O)c4ccccc4Cl"	0	""	""	1	1	373568	""
"650024"	"650024"	"3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"COc1cc(ccc1O)C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	1	1	373571	""
"650025"	"650025"	"3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone"	"Oc1ccc(Br)cc1C2C(Cl)C(=O)N2N3C=Nc4ccccc4C3=O"	0	""	""	2	2	373572	""
"650043"	"650043"	"2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde"	"O=Cc1ccccc1OCCOc2cc(OCCOc3ccccc3C=O)c(OCCOc4ccccc4C=O)cc2OCCOc5ccccc5C=O"	0	""	""	2	1	373590	""
"650204"	"650204"	"2-O-Ethyl 6-O-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate"	"CCOC(=O)C1C(NC(C(C(=O)OC)S1(=O)=O)c2ccc(C)cc2)c3ccc(Cl)cc3Cl"	0	""	""	1	1	373600	""
"650259"	"650259"	"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(OCC(F)(F)F)ccc4[nH]c13"	0	""	""	2	2	373608	""
"650260"	"650260"	"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(OCC(F)(F)F)ccc4[nH]c13"	0	""	""	2	2	373610	""
"650262"	"650262"	"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	373612	""
"650263"	"650263"	"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"CCOc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	373614	""
"650265"	"650265"	"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"CC(C)Oc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	373616	""
"650266"	"650266"	"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate"	"CC(C)Oc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1"	0	""	""	2	2	373618	""
"650267"	"650267"	"9-Phenoxyellipticine"	"Cc1c2ccncc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	1	373619	""
"650268"	"650268"	"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium iodide"	"Cc1c2cc[n+](C)cc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	2	373620	""
"650269"	"650269"	"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate"	"CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(Oc5ccccc5)ccc4[nH]c13"	0	""	""	2	2	10431819	""
"650289"	"650289"	"Protein Toxin A 23 - MW approx. 6700"	""	0	NA	NA	2	2	NA	""
"650290"	"650290"	"Protein toxin B 15 - MW approx 6700"	""	0	NA	NA	2	2	NA	""
"650291"	"650291"	"Protein toxin C 10 - MW approx. 6700"	""	0	NA	NA	2	2	NA	""
"650292"	"650292"	"Protein toxin D 5 - MW approx 6700"	""	0	NA	NA	2	2	NA	""
"650351"	"650351"	"7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"COc1cccc2c1c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	1	1	373631	""
"650352"	"650352"	"11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCCCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	1	1	373632	""
"650355"	"650355"	"9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	373635	""
"650357"	"650357"	"4-(4-Bromophenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(Br)cc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	373637	""
"650360"	"650360"	"4-(4-Methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	1	1	373640	""
"650361"	"650361"	""	"COc1ccc(cc1)N2C(=O)[C@@H]3[C@@H]4CC(C)CC[C@@H]4c5c([nH]c6ccccc56)[C@@H]3C2=O"	0	NA	NA	2	2	NA	""
"650362"	"650362"	"4-(4-Methoxyphenyl)-4,22-diazapentacyclo[13.7.0.02,6.07,14.016,21]docosa-1(15),16,18,20-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	373642	""
"650363"	"650363"	"13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.10.0.02,10.03,8.011,15]hexacosa-2(10),3,5,7-tetraene-12,14-dione"	"COc1ccc(cc1)N2C(=O)C3C4CCCCCCCCCCC4c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	373643	""
"650365"	"650365"	"2-(4-Methoxyphenyl)-5-(p-tolyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione"	"COc1ccc(cc1)N2C(=O)C3CC(c4ccc(C)cc4)c5c([nH]c6ccccc56)C3C2=O"	0	""	""	2	2	373645	""
"650366"	"650366"	"5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"COc1ccc(cc1)N2C(=O)C3CC(c4ccc(Br)cc4)c5c([nH]c6ccccc56)C3C2=O"	0	""	""	1	1	373646	""
"650367"	"650367"	"10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione"	"CCn1c2C3C(CC(c4ccccc4)c2c5ccccc15)C(=O)N(C3=O)c6ccccc6"	0	""	""	1	1	373647	""
"650370"	"650370"	"1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid"	"OC(=O)C1Cc2[nH]c3ccccc3c2C4CCCC14"	0	""	""	1	1	373650	""
"650395"	"650395"	"Tyloindicine H"	"COc1ccc2C3=C[C@@H]4CCCN4C[C@@H]3c5cc(OC)c(OC)cc5c2c1O"	0	""	""	3	1	373660	"138964882"
"650396"	"650396"	"Tyloindicine I"	"COc1ccc(cc1OC)C2=CN3CCC[C@H]3C=C2c4cc(O)c(OC)c(OC)c4"	0	""	""	4	1	373661	"138935521"
"650426"	"650426"	"KRN5500"	"CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO"	0	NA	NA	4	3	NA	"151276958"
"650436"	"650436"	"Budmunchiamine A"	"CCCCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(C)CCCN1C"	0	""	""	2	1	373662	""
"650438"	"650438"	"(Z)-N-[2-(2,5-Dihydroxyphenyl)ethenyl]-formamide (cis Er..."	"Oc1ccc(O)c(\C=C/NC=O)c1"	0	""	""	2	2	5467316	"108536249"
"650463"	"650463"	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(C)cc2)c3ccc(C)cc3"	0	NA	NA	2	1	NA	""
"650464"	"650464"	""	"O=C1C(CN2CCCCC2)CCCC1CN3CCCCC3"	0	NA	NA	2	2	NA	""
"650470"	"650470"	""	"CCC12C=CCN3CC[C@@]4(C13)C(=C([C@@H]2NC5=NC(=O)N(C=C5)C6OC(COC(=O)C)C(OC(=O)C)C6OC(=O)C)C(=O)OC)Nc7ccccc47"	0	NA	NA	2	1	NA	""
"650471"	"650471"	"calactin"	"CC1CC(O)[C@]2(O)O[C@@H]3CC4(C=O)C(CCC5C4CCC6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1"	0	NA	NA	3	3	NA	"20304476"
"650563"	"650563"	"Tyrphostin AG-114"	"NC(=C(C#N)C#N)\C(=C\c1ccc(O)c(O)c1)\C#N"	0	""	""	2	1	5328806	""
"650573"	"650573"	"Naphth[2,3-d]oxazol-9-one, 2-methyl-4-(phenylimino)-"	"Cc1oc2C(=O)c3ccccc3\C(=N/c4ccccc4)\c2n1"	0	""	""	3	2	160386	""
"650574"	"650574"	"2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one"	"Cc1oc2\C(=N/c3ccccc3)\c4ccccc4C(=O)c2n1"	0	""	""	1	1	373683	""
"650577"	"650577"	""	"O=C1CSC(=N1)C(=C2Nc3ccccc3N2)N=Nc4ccccc4"	0	NA	NA	1	1	NA	""
"650582"	"650582"	"3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione"	"SC1NC=NC2=C1SC(=S)N2CC=C"	0	""	""	1	1	373690	""
"650592"	"650592"	"(E)-3-Chloro-2,3-bis(3-methoxyphenyl)prop-2-enal"	"COc1cccc(c1)\C(=C(/C=O)\c2cccc(OC)c2)\Cl"	0	""	""	1	1	3004400	""
"650594"	"650594"	"(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal"	"CCCOc1ccc(cc1OCCC)\C(=C(/C=O)\c2ccc(OC)c(OC)c2)\Cl"	0	""	""	1	1	3004402	""
"650596"	"650596"	"4,5-Bis(3,4-dimethoxyphenyl)isoxazole"	"COc1ccc(cc1OC)c2oncc2c3ccc(OC)c(OC)c3"	0	""	""	2	2	373704	""
"650597"	"650597"	"3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene"	"COC1C(=C(Cl)c2cc(OC)c(OC)cc12)c3ccc(OC)c(OC)c3"	0	""	""	1	1	373705	""
"650599"	"650599"	"1,3-Isoquinolinedione, 4-[(3,4-dimethoxyphenyl)methylene]-"	"COc1ccc(\C=C\2/C(=O)NC(=O)c3ccccc23)cc1OC"	0	""	""	4	4	5467321	""
"650611"	"650611"	"(5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol"	"CC1(CO)COS(=O)OC1"	0	""	""	1	1	373710	""
"650614"	"650614"	"Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide"	"CCOC(=O)C1(COS(=O)OC1)C(=O)OCC"	0	""	""	1	1	373713	""
"650615"	"650615"	"Diethyl 3,3-thietanedicarboxylate"	"CCOC(=O)C1(CSC1)C(=O)OCC"	0	""	""	1	1	373714	""
"650617"	"650617"	"N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)c2ccc(C)cc2"	0	""	""	2	1	373716	""
"650619"	"650619"	"QC-48"	"Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	373718	""
"650626"	"650626"	"4-Methyl-N-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)c2ccc(C)cc2"	0	""	""	1	1	373724	""
"650628"	"650628"	"N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NCCCSCCN"	0	""	""	1	1	373726	""
"650632"	"650632"	""	"NC(=N)SCCC(=O)CCSC(=N)N"	0	NA	NA	1	1	NA	""
"650637"	"650637"	"3-Ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine"	"CCSCCCN(CCCSCC)CCCSCC"	0	""	""	1	1	373738	""
"650639"	"650639"	"ACM25676624"	"SCCSCCCSCCS"	0	""	""	1	1	373740	""
"650641"	"650641"	"1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane"	"CCSCCCSCCSCC"	0	""	""	1	1	373742	""
"650644"	"650644"	"3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol"	"OCCCSc1ccccc1SCCCO"	0	""	""	1	1	373745	""
"650706"	"650706"	"1,4-Bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-butyne"	"COC(=O)C1=C(SC(=CC#CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)C(=O)OC"	0	""	""	2	2	373752	""
"650708"	"650708"	"1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione"	"Cc1ccc(O)c(c1)C(=O)CCCC(=O)c2cc(C)ccc2O"	0	""	""	1	1	373754	""
"650710"	"650710"	""	"CC1[C@@H](O)CC2C1C3OC(=O)C(C)C3CC[C@@]2(C)OC(=O)C"	0	NA	NA	1	1	NA	""
"650711"	"650711"	"3-(Dimethyl(phenylthio)germyl)propanenitrile"	"C[Ge](C)(CCC#N)Sc1ccccc1"	0	""	""	1	1	16683240	""
"650712"	"650712"	"Methyl 3-(dimethyl(phenylthio)germyl)propanoate"	"COC(=O)CC[Ge](C)(C)Sc1ccccc1"	0	""	""	1	1	16683241	""
"650713"	"650713"	"Dimethyl 2-(dimethyl(phenylthio)germyl)succinate"	"COC(=O)CC(C(=O)OC)[Ge](C)(C)Sc1ccccc1"	0	""	""	1	1	16683242	""
"650717"	"650717"	"Stipiamide"	"CC(CO)NC(=O)\C(=C\C=C\C=C/C=C/C(=C/C(C)C(O)\C(=C\C(C)CCc1ccccc1)\C)/C)\C"	0	NA	NA	3	2	NA	"135383027"
"650718"	"650718"	"Roseophilin, HCl salt"	"COc1cc(oc1C2=C3N=C4CCCCCCCCC2C(C(C)C)C3=C4)c5[nH]ccc5Cl"	0	""	""	3	1	135499311	""
"650738"	"650738"	"9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium"	"CCCCc1c2CCCCc2[n+]([O-])c3CCCCc13"	0	""	""	1	1	373774	""
"650744"	"650744"	"1,1'-Biphenyl, 4,4'bis(thiomethyl)-"	"SCc1ccc(cc1)c2ccc(CS)cc2"	0	""	""	3	3	373780	""
"650748"	"650748"	"(5E)-5-Benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one"	"CCCCc1c2CCC\C(=C/c3ccccc3)\c2nc4C(=O)C(CN(C)C)CCc14"	0	""	""	3	1	5467330	""
"650758"	"650758"	""	"CCCCc1c2CCCCc2nc3C(=O)\C(=C\c4ccc(cc4)[N+](=O)[O-])\CCc13"	0	NA	NA	1	1	NA	""
"650763"	"650763"	"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline"	"COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC"	0	""	""	2	2	373798	""
"650764"	"650764"	"4-Methyl-N-(3,4,5-trimethoxybenzyl) aniline Hydrochloride"	"COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"650765"	"650765"	"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline"	"CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	373800	""
"650766"	"650766"	"4-ethyl-n-(3,4,5-trimethoxybenzyl)aniline, hydrochloride"	"CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	4	4	NA	""
"650768"	"650768"	"4-i-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	"COc1cc(CNc2ccc(cc2)C(C)C)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"650769"	"650769"	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline"	"CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	4	2	373806	""
"650770"	"650770"	"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride"	"CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1"	0	NA	NA	4	2	NA	""
"650771"	"650771"	"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline"	"COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC"	0	""	""	4	3	373808	""
"650772"	"650772"	"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochlo..."	"COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC"	0	NA	NA	4	2	NA	""
"650773"	"650773"	"z-1-(4-methylthio-2-(3,4,5-trimethoxyphenyl)ethene"	"COc1cc(\C=C/c2ccc(SC)cc2)cc(OC)c1OC"	0	NA	NA	3	2	NA	""
"650779"	"650779"	"4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane"	"Cc1ccc(cc1)S(=O)(=O)N2CCSCCN(CCN(CC2)S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	373816	""
"650784"	"650784"	"3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine"	"C1CSCCCSc2ccccc2SC1"	0	""	""	1	1	373821	""
"650792"	"650792"	"1,4,7,10-Tetrathia-13-azacyclopentadecane, 13-[(4-methyl..."	"Cc1ccc(cc1)S(=O)(=O)N2CCSCCSCCSCCSCC2"	0	""	""	3	2	373829	""
"650808"	"650808"	"1,5,9,13,17-Pentathiacycloeicosane"	"C1CSCCCSCCCSCCCSCCCSC1"	0	""	""	2	1	373845	""
"650814"	"650814"	"2-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)N\N=C\c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	9555906	""
"650815"	"650815"	"N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)N\N=C\c4ccc(Cl)cc4"	0	""	""	1	1	9555907	""
"650817"	"650817"	"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide"	"O=C(CSc1nc(c2ccccc2)c([nH]1)c3ccccc3)NNC(=S)Nc4ccccc4"	0	""	""	1	1	3004405	""
"650818"	"650818"	"2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide"	"CC(C)C(Sc1nc(c2ccccc2)c([nH]1)c3ccccc3)C(=O)NNC(=S)Nc4ccccc4"	0	""	""	1	1	3004406	""
"650819"	"650819"	"3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione"	"CCN1C(=S)NN=C1CSc2nc(c3ccccc3)c([nH]2)c4ccccc4"	0	""	""	1	1	3004407	""
"650825"	"650825"	""	"CCN1C(=Nc2ccccc2C1=O)SC(C)C(=O)C3=C(C)N(C)N(C3=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"650826"	"650826"	"2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one"	"CN1N(C(=O)C(=C1C)C(=O)CSC2=Nc3ccccc3C(=O)N2c4ccccc4)c5ccccc5"	0	""	""	1	1	373863	""
"650827"	"650827"	"1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one"	"CN1N(C(=O)C(=C1C)c2coc(n2)c3ccccc3)c4ccccc4"	0	""	""	1	1	373864	""
"650836"	"650836"	"Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	"CCOC(=O)C(C)Sc1nnc(COc2ccccc2OC)n1c3ccccc3"	0	""	""	1	1	373873	""
"650837"	"650837"	"Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate"	"CCOC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	373874	""
"650875"	"650875"	"Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane"	"COP1(=S[Fe+3]23([SH-]P(=S2)(OC)OC)([SH-]P(=S3)(OC)OC)[SH-]1)OC"	0	""	""	1	1	457406	""
"650877"	"650877"	"8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione"	"CC(OC1CC(=O)CC2C1C(=O)C=CC2=O)c3ccccc3"	0	""	""	2	2	373885	""
"650882"	"650882"	"Dermocanarin-4"	"COC1=CC(=O)c2c(O)c3c(CC(C)(O)CC(=O)Oc4c3c(OC)cc5cc6CC(C)(O)CC(=O)c6c(O)c45)cc2C1=O"	0	""	""	2	1	373887	""
"650893"	"650893"	"HALOMON"	"CC(C)(Cl)[C@H](Br)CC[C@](Cl)(CBr)C(=C)Cl"	0	NA	NA	5	5	NA	""
"650908"	"650908"	"2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholiny..."	"CCOc1ccc(cc1OC)C(CN2CCOCC2)C(=O)C"	0	NA	NA	1	1	NA	""
"650914"	"650914"	"Phenoxan"	"CCC1=C(OC(=C(C)C1=O)OC)c2coc(CC\C(=C\c3ccccc3)\C)n2"	0	""	""	2	2	5467345	""
"650931"	"650931"	"2'-bromo-4'-epi-daunorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5OC(C)C(O)C(N)C5Br)c4c(O)c3C(=O)c12)C(=O)C"	0	NA	NA	3	3	NA	""
"650934"	"650934"	"2-Propenenitrile, 3-(1H-indol-3-yl)-2-(3,4-dihydroxy- be..."	"Oc1ccc(cc1O)C(=O)\C(=C\c2c[nH]c3ccccc23)\C#N"	0	""	""	2	1	5329275	""
"650935"	"650935"	"3,8-Dimethyl-1,2-naphthoquinone"	"CC1=Cc2cccc(C)c2C(=O)C1=O"	0	""	""	2	2	373912	""
"650936"	"650936"	"Hemigossypolone"	"CC(C)c1c(O)c(O)c(C=O)c2C(=O)C=C(C)C(=O)c12"	0	""	""	2	1	182249	""
"650949"	"650949"	"1-Benzyl-3-cyano-2-methylguanidine"	"CN\C(=N\C#N)\NCc1ccccc1"	0	""	""	1	1	373919	""
"650958"	"650958"	""	"NC(=O)N=C(N(Cc1ccccc1)Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	NA	NA	2	1	NA	""
"650959"	"650959"	"1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine"	"CCCCN(Cc1ccccc1)\C(=N\C#N)\N(Cc2ccccc2)Cc3ccccc3"	0	""	""	2	1	373931	""
"650960"	"650960"	"N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine"	"CN(Cc1ccccc1)\C(=N/C#N)\N(Cc2ccccc2)Cc3ccccc3"	0	""	""	2	1	373932	""
"650963"	"650963"	"bis(1-benzhydryl-3-phenyl-aziridin-2-yl)methanone"	"O=C(C1C(N1C(c2ccccc2)c3ccccc3)c4ccccc4)C5C(N5C(c6ccccc6)c7ccccc7)c8ccccc8"	0	""	""	1	1	373935	""
"650973"	"650973"	"2,2':5',2''-Terthiophene, 3'-methoxy-"	"COc1cc(sc1c2cccs2)c3cccs3"	0	""	""	1	1	373943	""
"650975"	"650975"	"N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate"	"CN(c1n[n+]2c(csc2s1)c3ccccc3)c4n[n+]5c(csc5s4)c6ccccc6"	0	""	""	1	1	499053	""
"650977"	"650977"	"3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole"	"C=Cc1c(cnc2[nH]c3ccccc3c12)c4ccccc4"	0	""	""	1	1	373945	""
"650978"	"650978"	"Ethyl 7-methoxy-12-(4-methoxyphenyl)-11-methyl-6-phenylmethoxy-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8-pentaene-3-carboxylate"	"CCOC(=O)c1cc2c(OCc3ccccc3)c(OC)cc4CC(C)N(c5ccc(OC)cc5)c(n1)c24"	0	""	""	1	1	373946	""
"650980"	"650980"	""	"Cl[C@@H]1[C@@H]2N(C1=O)c3ccccc3Oc4nc5ccccc5cc24"	0	NA	NA	1	1	NA	""
"650993"	"650993"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)NC(=O)c3nn[nH]c23"	0	NA	NA	1	1	NA	""
"650998"	"650998"	"[4,5-Diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate"	"CSC1=NC2=C(N=C(C)C(=O)N2C3OCC(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=O)N1"	0	""	""	1	1	135408971	""
"651001"	"651001"	"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-"	"Clc1ccc(cc1)N2COc3c(C2)cc4OC(=O)c5cccc3c45"	0	""	""	2	2	373969	""
"651003"	"651003"	"2-[(E)-(Dimethylhydrazono)methyl]-3-methyl-furo[2,3-f]quinolin-5-ol"	"CN(C)\N=C\c1oc2c(cc(O)c3ncccc23)c1C"	0	""	""	1	1	5326297	""
"651010"	"651010"	"7-(.beta.-D-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine"	"Nc1ncnc2c(scc12)C3OC(CO)C(O)C3O"	0	""	""	2	2	373978	""
"651012"	"651012"	"Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate"	"COC(=O)CC1C(=O)OCC2=C1C=C3N(Cc4c(OC)c5ccccc5nc34)C2=O"	0	""	""	1	1	373980	""
"651013"	"651013"	"Alkaloid isolated from West African medicinal plant"	""	0	NA	NA	4	4	NA	""
"651015"	"651015"	"1,3,5-Naphthalenetrisulfonic acid, 7,7'-[carbonylbis [im..."	"Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(c5cc(cc(c5c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc6cc(C(=O)Nc7cc(c8cc(cc(c8c7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n(C)c6"	0	NA	NA	1	1	NA	""
"651020"	"651020"	"4-Ethoxy-N-(3,4,5-trimethoxybenzylene)aniline"	"CCOc1ccc(cc1)\N=C/c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	373990	""
"651035"	"651035"	""	"CC1=CN(C2CC(CCCO)C(CO)O2)C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"651038"	"651038"	"N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide"	"O\N=C\C(=O)Nc1ccc(Cl)c(I)c1"	0	""	""	1	1	9571384	""
"651040"	"651040"	"5-Chloro-4-iodo-1H-indole-2,3-dione"	"Clc1ccc2NC(=O)C(=O)c2c1I"	0	""	""	1	1	374000	""
"651042"	"651042"	"6-Chloro-5-iodo-4(4aH)-quinazolinone"	"ClC1=C(I)C2C(=O)N=CN=C2C=C1"	0	""	""	1	1	374002	""
"651078"	"651078"	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 2,3-dihydro- 6..."	"CC1=C(N2CC2)C(=O)c3nc4C(O)CCn4c3C1=O"	0	""	""	3	2	374004	""
"651079"	"651079"	"antineoplastic-651079"	"CCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	3	2	374005	""
"651080"	"651080"	"antineoplastic-651080"	"CC1=C(N2CC2)C(=O)c3nc4C(CCn4c3C1=O)OC(=O)CCl"	0	""	""	3	3	374006	""
"651081"	"651081"	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(O)CCn23)C1=O"	0	""	""	2	2	374007	""
"651082"	"651082"	"1H-Pyrrolo[1,2-a}benzimidazole-5,8-dione, 6-(acetylamino..."	"CCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	1	1	374008	""
"651084"	"651084"	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"COCC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	6	5	374010	""
"651085"	"651085"	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(CCn23)OC(=O)c4ccccc4)C1=O"	0	""	""	1	1	374011	""
"651086"	"651086"	"7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate"	"CC(=O)OC1CCCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	2	2	374012	""
"651087"	"651087"	"4-Acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)"	"CC1OC(=O)C(=C1[O-])C(=O)C.CC2OC(=O)C3=C2[O-][Pt+2]4(N[C@@H]5CCCCC5N4)O=C3C"	0	""	""	1	1	374013	""
"651089"	"651089"	"N,N-Dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride"	"CN(C)CCn1c2ccccc2c3nc4cc5ccccc5cc4nc13"	0	""	""	1	1	374016	""
"651195"	"651195"	"ANTINEOPLASTIC-651195"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccc(C)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	6712004	""
"651196"	"651196"	"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(C)cc7)C(=C1C5(C)C)C"	0	""	""	1	1	6712005	""
"651199"	"651199"	"Tetra(isobutenyl)antimony bromide"	"CC(=C[Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C)C"	0	NA	NA	1	1	NA	""
"651200"	"651200"	"Tri(isobutenyl)phenylantimony bromide"	"CC(=C[Sb](Br)(C=C(C)C)(C=C(C)C)c1ccccc1)C"	0	NA	NA	1	1	NA	""
"651201"	"651201"	"Tri(isobutenyl)-p-anisylantimony bromide"	"COc1ccc(cc1)[Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C"	0	NA	NA	1	1	NA	""
"651241"	"651241"	"2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole"	"[O-][N+](=O)c1ccc(cc1)C2CC(=NO2)c3ccc(NCc4nc5ccccc5[nH]4)cc3"	0	""	""	1	1	374045	""
"651295"	"651295"	"8D-021"	"Clc1ccc(cc1)C(=O)c2cnc(Nc3ccccc3Cl)s2"	0	""	""	2	1	374056	""
"651315"	"651315"	"1,4-Dimethoxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione"	"COc1c(C#CC)c(C#CC)c(OC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	374059	""
"651320"	"651320"	""	"C[C@@H]1OC(=O)C(=C1)CCCCCCCCCCCCC(O)[C@@H]2CC[C@H](O2)[C@@H]3CC[C@H](O3)[C@H](O)CCCCCCCCCCCCC4=CC(C)OC4=O"	0	NA	NA	2	2	NA	""
"651334"	"651334"	"2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide"	"CCCN(CCC)C(=O)Cc1c2c3ccccc3Cn2c4ccccc14"	0	""	""	1	1	374074	""
"651410"	"651410"	"3-Isoquinolinecarboxamide, 7,8-dihydroxy-N-(phenylmethyl..."	"Oc1ccc2cc(ncc2c1O)C(=O)NCc3ccccc3"	0	NA	NA	1	1	NA	""
"651415"	"651415"	"Dysorone E"	"CC(=CC1C[C@@H](CO1)C2CC=C3C2(C)CCC4[C@@]5(C)C=CC(=O)[C@](C)(CO)C5CC(=O)[C@@]34C)C"	0	""	""	2	1	5459221	""
"651492"	"651492"	"5-[[3,4-Diethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde"	"CCc1c(C)c(C=O)[nH]c1Cc2[nH]c(Cc3[nH]c(C=O)c(C)c3CC)c(CC)c2CC"	0	""	""	1	1	374127	""
"651589"	"651589"	"ANTINEOPLASTIC-651589"	"CC(C)C(=O)CC(N1N=C(CC1c2ccc(Cl)cc2)C(C)C)c3ccc(Cl)cc3"	0	""	""	3	1	374135	""
"651590"	"651590"	"ANTINEOPLASTIC-651590"	"CN(C)CC\C(=N/O)\C"	0	NA	NA	3	2	NA	""
"651593"	"651593"	""	"CN(C)CC1CCC(CN(C)C)C(=O)C1=O"	0	NA	NA	3	2	NA	""
"651604"	"651604"	"1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea"	"Cn1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)nc5ccccc15"	0	""	""	1	1	374147	""
"651605"	"651605"	"N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide"	"Brc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	1	1	374148	""
"651607"	"651607"	"N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide"	"[O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1"	0	""	""	2	2	374150	""
"651608"	"651608"	"1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea"	"Clc1ccc(Cn2c(NC(=O)NC34CC5CC(CC(C5)C3)C4)nc6ccccc26)cc1"	0	""	""	1	1	374151	""
"651614"	"651614"	"3-Azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione"	"CCC1(N=[N+]=[N-])C(=O)Nc2cc(C)ccc2C1=O"	0	""	""	1	1	374157	""
"651629"	"651629"	"Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate"	"CCOC(=O)CC(NCc1ccc(cc1)\N=C\c2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)C(=O)OCC"	0	""	""	2	1	374160	""
"651632"	"651632"	"N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine"	"COc1cc(CNc2cnc3cc(N)ccc3n2)cc(OC)c1OC"	0	""	""	1	1	374163	""
"651641"	"651641"	""	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3O"	0	NA	NA	1	1	NA	""
"651642"	"651642"	"4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cccc(O)c3"	0	""	""	1	1	374167	""
"651646"	"651646"	""	"ClCC(=O)Nc1ccc(cc1)C(=O)N\N=C\c2ccc(Cl)cc2"	0	NA	NA	3	2	NA	""
"651648"	"651648"	"4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide"	"Cc1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3ccc(N)cc3"	0	""	""	1	1	374172	""
"651650"	"651650"	"4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"COc1ccc(cc1OC)C2C(Cl)C(=O)N2NC(=O)c3ccc(N)cc3"	0	""	""	2	1	374174	""
"651651"	"651651"	"4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide"	"COc1cc(\C=N\NC(=O)c2ccc(NC(=O)CCl)cc2)cc(Br)c1O"	0	""	""	1	1	374175	""
"651653"	"651653"	"4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cc(Br)cc(Br)c3O"	0	""	""	1	1	374177	""
"651654"	"651654"	"4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide"	"Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3Cl"	0	""	""	1	1	374178	""
"651656"	"651656"	"4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide"	"CC(=O)Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3ccccc3O"	0	""	""	1	1	374180	""
"651666"	"651666"	"4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide"	"CC(=O)Nc1ccc(cc1)C(=O)NN2C(C(Cl)C2=O)c3cc(Br)ccc3O"	0	""	""	2	2	374190	""
"651688"	"651688"	"Contignasterol"	"CC(C)[C@@H]1CC(O)OC(C1)C(C)[C@H]2CC(=O)[C@@H]3[C@@H]4[C@@H](O)C(O)C5[C@@H](O)C(O)CC[C@]5(C)C4CC[C@]23C"	0	""	""	1	1	374202	""
"651694"	"651694"	"4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole"	"CC1(C)OCN(Cn2c1nc3ccccc23)c4ccc(Cl)cc4"	0	""	""	2	2	374204	""
"651703"	"651703"	"4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one"	"CN1N(C(=O)C(=C1C)c2oc(nn2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	374213	""
"651704"	"651704"	"salicylic acid, 3,5-dibromo-,(antipyrinylmethylene)hydra..."	"CN1N(C(=O)C(=C1C)\C=N\NC(=O)c2cc(Br)cc(Br)c2O)c3ccccc3"	0	""	""	1	1	9571390	"101868308"
"651709"	"651709"	"17-[Phenyl(undec-10-enyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene"	"C=CCCCCCCCCCP(=O)(c1ccccc1)c2ccc3OCCOCCOCCOCCOc3c2"	0	""	""	1	1	374219	""
"651715"	"651715"	"YQDYZPHMROBRNT-UHFFFAOYSA-N"	"O=C1OC2(OC2c3ccccc3)c4ccccc14"	0	""	""	1	1	374225	""
"651726"	"651726"	"Homovinblastine methanesulfonate salt"	"CC[C@]1(O)CC2CN(CCCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)[C@]8(CC)C=CC[N@@]9CCC67C89)C(=O)OC)C1"	0	""	""	2	2	11970002	""
"651727"	"651727"	".alpha.-Cyclopentoblastine methanesulfonate salt"	"CC[C@@]12C=CC[N@@]3CCC4(C13)C(N(C)c5cc(OC)c(cc45)[C@]6(CC7CN(CCc8c6[nH]c9ccccc89)C[C@@H]%10CCC[C@H]7%10)C(=O)OC)C(O)(C2OC(=O)C)C(=O)OC"	0	""	""	3	2	11970004	""
"651744"	"651744"	"ANTINEOPLASTIC-651744"	"C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)ON2C(=O)CCC2=O)cc1)c3ccccc3"	0	""	""	3	1	374245	""
"651752"	"651752"	"EU-0070102"	"Cc1ccc(cc1)n2c(C)nc3C(=O)c4ccccc4C(=O)c23"	0	""	""	1	1	374251	""
"651756"	"651756"	"2-Methyl-1-(pentan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCCC(C)n1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	374255	""
"651760"	"651760"	"2-Methyl-1-(2-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCC(C)Cn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	374259	""
"651765"	"651765"	"N-[3-[(4-Chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(NCc2ccc(Cl)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	374264	""
"651766"	"651766"	"N-[3-[(4-Methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide"	"COc1ccc(CNC2=C(NC(=O)C)C(=O)c3ccccc3C2=O)cc1"	0	""	""	1	1	374265	""
"651768"	"651768"	"N-[1,4-Dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide"	"CCC(CC)NC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	374267	""
"651769"	"651769"	"N-[3-(3-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(C)CCNC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	374268	""
"651772"	"651772"	"1-[2-(Dimethylamino)ethyl]-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CN(C)CCn1c(C)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	374271	""
"651774"	"651774"	"1-(4-Chlorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccc(Cl)cc4"	0	""	""	1	1	374273	""
"651776"	"651776"	"1-(4-Fluorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccc(F)cc4"	0	""	""	1	1	374275	""
"651777"	"651777"	"2-Methyl-1-(4-methylbenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione"	"Cc1ccc(Cn2c(C)nc3C(=O)c4ccccc4C(=O)c23)cc1"	0	""	""	1	1	374276	""
"651780"	"651780"	"N-[3-(2-Methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(C)CNC1=C(NC(=O)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	374279	""
"651781"	"651781"	"N-[3-(Tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide"	"CC(=O)NC1=C(NC(C)(C)C)C(=O)c2ccccc2C1=O"	0	""	""	1	1	374280	""
"651782"	"651782"	"ANTINEOPLASTIC-651782"	"O=C(OC\C=C/1\O\C(=N/N(C(=O)c2ccccc2)c3ccccc3)\C(=C1)OC(=O)c4ccccc4)c5ccccc5"	0	NA	NA	3	1	NA	""
"651807"	"651807"	"2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene"	"COc1ccc(cc1)[C@@]23c4ccc(OC)cc4C[C@@]2(Cc5cc(OC)ccc35)c6ccc(cc6)[N+](=O)[O-]"	0	""	""	3	1	374288	""
"651809"	"651809"	"[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate"	"CC(=O)ON(C1C(COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC5OC6(CCCC6)OC15)C(=O)C"	0	""	""	2	2	374290	""
"651815"	"651815"	""	"CC1=CN(C2CC(C(CO)O2)N(O)Cc3ccccc3)C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"651827"	"651827"	"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy"	"CCCCCCCC(CC(=O)OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)NC(CO)C(=O)NC(CO)CC(C)C)OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O"	0	""	""	3	1	374298	""
"651829"	"651829"	"1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one"	"CN1C(=O)CN2C(Cl)(Cl)C2(c3ccccc3)c4cc(Cl)ccc14"	0	""	""	1	1	374300	""
"651837"	"651837"	""	"CCN(CC)CC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CN(CC)CC)ccc3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"651839"	"651839"	""	"CCN(CC)CCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN(CC)CC)ccc3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"651840"	"651840"	""	"OCCC1CCCCN1CCC(=O)Nc2ccc3C(=O)c4cc(NC(=O)CCN5CCCCC5CCO)ccc4C(=O)c3c2"	0	NA	NA	1	1	NA	""
"651841"	"651841"	""	"OCCC1CCN(CCC(=O)Nc2ccc3C(=O)c4cc(NC(=O)CCN5CCC(CCO)CC5)ccc4C(=O)c3c2)CC1"	0	NA	NA	1	1	NA	""
"651843"	"651843"	"2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone"	"OCCN(CCO)CCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN(CCO)CCO)ccc3C(=O)c2c1"	0	""	""	1	1	374318	""
"651845"	"651845"	"Methyl 4-[2-[[2-[5-acetamido-3-hydroxy-2-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-5-amino-5-oxopentanoate"	"COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(OC(=O)CCNc2c3ccccc3nc4cccc(c24)[N+](=O)[O-])OC(OCc5ccccc5)C1NC(=O)C)C(=O)N"	0	""	""	1	1	374321	""
"651849"	"651849"	"antineoplastic-651849"	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@@H](CCC(=O)OCCCNC3c4ccccc4Nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	4	1	374325	""
"651850"	"651850"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCCCC4)c5cc6OCOc6cc25"	0	""	""	1	1	374326	""
"651851"	"651851"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCCCC4)c5cc6OCOc6cc25"	0	""	""	1	1	374327	""
"651852"	"651852"	"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C(=O)O)c5cc6OCOc6cc25"	0	""	""	1	1	374328	""
"651853"	"651853"	"Sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4ccc(cc4)C(=O)O)c5cc6OCOc6cc25"	0	""	""	1	1	54612576	""
"651854"	"651854"	"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NC4CCN(Cc5ccccc5)CC4)c6cc7OCOc7cc26"	0	""	""	1	1	374330	""
"651855"	"651855"	"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NC4CCN(Cc5ccccc5)CC4)c6cc7OCOc7cc26"	0	""	""	1	1	374331	""
"651856"	"651856"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCOCC4)c5cc6OCOc6cc25"	0	""	""	1	1	374332	""
"651857"	"651857"	"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN4CCOCC4)c5cc6OCOc6cc25"	0	""	""	1	1	374333	""
"651858"	"651858"	"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCCN4CCCC4=O)c5cc6OCOc6cc25"	0	""	""	1	1	374334	""
"651859"	"651859"	"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCCN4CCCC4=O)c5cc6OCOc6cc25"	0	""	""	1	1	374335	""
"651860"	"651860"	"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	374336	""
"651861"	"651861"	"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](NCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	374337	""
"651922"	"651922"	"7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane"	"COc1ccc2ccccc2c1CN3CCOCCOCCN(Cc4c(OC)ccc5ccccc45)CCOCCOCC3"	0	""	""	3	1	374351	""
"651923"	"651923"	"3-Methyl-5-propan-2-yl-8-(propyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(propyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol"	"CCC\N=C\c1c(O)c(O)c(C(C)C)c2cc(C)c(c(O)c12)c3c(C)cc4c(C(C)C)c(O)c(O)c(\C=N\CCC)c4c3O"	0	""	""	2	1	374352	""
"651925"	"651925"	"Ethyl gossypol"	"CCc1c(O)c(O)c(C(=O)C)c2c(O)c(c(C)cc12)c3c(C)cc4c(CC)c(O)c(O)c(C(=O)C)c4c3O"	0	""	""	1	1	374353	""
"651927"	"651927"	"Methyl 3-phenyl-2-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)iminomethyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylideneam"	"COC(=O)C(Cc1ccccc1)\N=C\c2c(O)c(O)c(C(C)C)c3cc(C)c(c(O)c23)c4c(C)cc5c(C(C)C)c(O)c(O)c(\C=N\C(Cc6ccccc6)C(=O)OC)c5c4O"	0	""	""	1	1	374355	""
"652024"	"652024"	"4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	"NC1=C(SC(=S)N1c2ccccc2)C(=O)N\N=C\c3ccccc3"	0	""	""	1	1	9571392	""
"652025"	"652025"	"4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	"COc1ccc(\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccccc3)cc1"	0	""	""	1	1	9571393	""
"652026"	"652026"	"4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide"	"NC1=C(SC(=S)N1c2ccccc2)C(=O)N\N=C\c3ccc(Cl)cc3"	0	""	""	1	1	9571394	""
"652028"	"652028"	""	"CCOC(=O)\C(=C/1\SC(=C(N)N1c2ccccc2)C(=O)N\N=C\c3ccc(OC)cc3)\C#N"	0	NA	NA	1	1	NA	""
"652031"	"652031"	"6-[(E)-(4-Methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one"	"COc1ccc(\C=N\N2C=NC3=C(SC(=S)N3c4ccccc4)C2=O)cc1"	0	""	""	1	1	9571399	""
"652033"	"652033"	""	"Cc1ccc(cc1)N2C(=S)S\C(=C/3\SC(=C(N)N3c4ccccc4)C(=O)N)\C2=O"	0	NA	NA	1	1	NA	""
"652034"	"652034"	""	"CCOC(=O)C1=C(N)N(\C(=C\2/SC(=S)N(C2=O)c3ccc(C)cc3)\S1)c4ccccc4"	0	NA	NA	2	1	NA	""
"652035"	"652035"	""	"Cc1ccc(cc1)N2C(=S)S\C(=C/3\SC(=C(N)N3CC=C)C(=O)N)\C2=O"	0	NA	NA	1	1	NA	""
"652047"	"652047"	"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one"	"COc1ccc(\C=C(/C2=NC(=O)CS2)\c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	5467405	""
"652048"	"652048"	"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one"	"Clc1ccc(\C=C(/C2=NC(=O)CS2)\c3nc4ccccc4[nH]3)cc1"	0	""	""	2	2	5467406	""
"652049"	"652049"	"2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	"Cc1ccc(cc1)N=NC(C2=NC(=O)CS2)c3nc4ccccc4[nH]3"	0	""	""	1	1	374383	""
"652050"	"652050"	"2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one"	"Clc1ccc(cc1)N=NC(C2=NC(=O)CS2)c3nc4ccccc4[nH]3"	0	""	""	1	1	374384	""
"652051"	"652051"	"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	"COc1ccc(\C=C\2/SC3=C(C(C(=C(N)N3C2=O)C#N)c4ccc(OC)cc4)c5nc6ccccc6[nH]5)cc1"	0	""	""	1	1	6477375	""
"652052"	"652052"	"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile"	"NC1=C(C#N)C(C(=C2S\C(=C/c3ccc(Cl)cc3)\C(=O)N12)c4nc5ccccc5[nH]4)c6ccc(Cl)cc6"	0	""	""	1	1	6036038	""
"652094"	"652094"	"Panicein B3"	"C\C(=C/Cc1cc(O)ccc1O)\CCc2c(C)cc(O)c(C=O)c2C"	0	""	""	1	1	5467407	""
"652095"	"652095"	"Panicein C"	"C\C(=C/Cc1cc(O)ccc1O)\CCc2c(C)c(O)c(O)c(C=O)c2C"	0	""	""	1	1	5467408	""
"652104"	"652104"	"Mifepristone"	"CC#C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C"	0	""	"FDA approved"	1	1	6712024	""
"652110"	"652110"	"6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione"	"CC1(C)C\N=C\C(C)(OCc2ccccc2)C(=O)NC(C)(C)C\N=C\C(C)(OCc3ccccc3)C(=O)N1"	0	""	""	1	1	374400	""
"652112"	"652112"	"Neuro_000367"	"COc1cc(OC)cc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	374402	""
"652113"	"652113"	"6-(2,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccc(C2=CC(=O)c3cc4OCOc4cc3N2)c(OC)c1"	0	""	""	1	1	374403	""
"652114"	"652114"	"6-(2,5-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"COc1ccc(OC)c(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	374404	""
"652115"	"652115"	"6-(1,3-Benzodioxol-5-yl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4ccc5OCOc5c4"	0	""	""	1	1	374405	""
"652124"	"652124"	"Spiropachysine"	"CC([C@H]1CCC2C3CCC4CC5(CC[C@]4(C)C3CC[C@]12C)N(C)C(=O)c6ccccc56)N(C)C"	0	NA	NA	1	1	NA	""
"652128"	"652128"	"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole"	"CC(C)OP(=O)(OC(C)C)c1nc(c2ccccc2)n(n1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	374417	""
"652137"	"652137"	"(1Z)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\Cl"	0	""	""	1	1	9555908	""
"652139"	"652139"	"1-[Bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine"	"CN(C)P(=O)(N(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\N"	0	""	""	1	1	9555597	""
"652143"	"652143"	""	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NN"	0	NA	NA	1	1	NA	""
"652146"	"652146"	"1-Diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NCCO"	0	""	""	1	1	3786165	""
"652149"	"652149"	"1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(4-nitroanilino)methanimidamide"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\NCCN\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\P(=O)(OC(C)C)OC(C)C"	0	""	""	1	1	3303944	""
"652151"	"652151"	"1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide"	"CC(C)OP(=O)(OC(C)C)\C(=N\Nc1ccc(cc1)[N+](=O)[O-])\Nc2ccc(N\C(=N/Nc3ccc(cc3)[N+](=O)[O-])\P(=O)(OC(C)C)OC(C)C)cc2"	0	""	""	1	1	3838849	""
"652168"	"652168"	"4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride"	"COc1cc2cc3NCCc4cc(OC)c(OC)c(c2cc1OC)c34"	0	""	""	1	1	374457	""
"652173"	"652173"	"(4E)-2-(2-Hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccccc3O"	0	""	""	4	3	135499334	""
"652174"	"652174"	"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one"	"COc1ccc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc1"	0	""	""	2	2	5351408	""
"652175"	"652175"	"2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]- 3-meth..."	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccc(cc3)[N+](=O)[O-]"	0	""	""	3	2	5467414	""
"652176"	"652176"	"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3cccc(c3)[N+](=O)[O-]"	0	""	""	2	2	5467415	""
"652177"	"652177"	"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3ccc(O)cc3"	0	""	""	2	2	135499335	""
"652178"	"652178"	"(4E)-2-(2-Hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one"	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3cccc(O)c3"	0	""	""	2	2	5467417	""
"652179"	"652179"	"(4E)-2-(2-Hydroxybenzoyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one"	"COc1cc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)ccc1O"	0	""	""	2	2	135499336	""
"652180"	"652180"	"1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one"	"COc1ccc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc1OC"	0	""	""	2	2	5467419	""
"652181"	"652181"	""	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3occc3"	0	NA	NA	2	2	NA	""
"652182"	"652182"	"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one"	"COc1cc(\C=C\2/C(=NN(C(=O)c3ccccc3O)C2=O)C)cc(OC)c1OC"	0	""	""	2	2	5467421	""
"652183"	"652183"	"3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy- 1-naphthale..."	"CC1=NN(C(=O)c2ccccc2O)C(=O)/C/1=C/c3c(O)ccc4ccccc34"	0	""	""	2	2	5465537	""
"652195"	"652195"	"(4Z)-5-Methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one"	"CC1=NN(C(=O)Cc2ccccc2)C(=O)/C/1=C\c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	5467430	""
"652197"	"652197"	"(4Z)-4-[(4-Hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one"	"COc1cc(\C=C/2\C(=NN(C(=O)Cc3ccccc3)C2=O)C)ccc1O"	0	""	""	1	1	135499341	""
"652202"	"652202"	"(4Z)-4-[(2-Hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one"	"CC1=NN(C(=O)Cc2ccccc2)C(=O)/C/1=C/c3c(O)ccc4ccccc34"	0	""	""	1	1	5465542	""
"652214"	"652214"	"N-[4-[5-Methyl-3-oxo-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrazole-2-carbonyl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)C(=O)N2N=C(C)\C(=C/c3c(O)ccc4ccccc34)\C2=O"	0	""	""	1	1	5465546	""
"652257"	"652257"	"9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"COc1ccc2c3ccc4C(=O)C=CC(=O)c4c3n(C)c2c1"	0	""	""	1	1	374506	""
"652260"	"652260"	"4-(4-Methoxyphenyl)-8,8,10,10-tetramethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C(C2=O)c4[nH]c5ccccc5c4C6CC(C)(C)CC(C)(C)C36"	0	""	""	1	1	374509	""
"652274"	"652274"	"14-(Methoxymethyl)-3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-triene-4,15-dione"	"COCC12CC(CC1=O)C3C2ON4c5ccccc5C(=O)C34c6ccccc6"	0	""	""	1	1	374523	""
"652285"	"652285"	"6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Cc1ccc(cc1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	374534	""
"652287"	"652287"	"SOS BISMETHANOL"	"OCc1ccc(s1)c2oc(cc2)c3ccc(CO)s3"	0	""	""	8	8	374536	"213261597"
"652294"	"652294"	"3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole"	"COC1OC(OC)C2C1ON=C2c3c(C)cc(C)cc3C"	0	""	""	1	1	374544	""
"652524"	"652524"	"antineoplastic-652524"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	NA	NA	6	5	NA	""
"652525"	"652525"	"antineoplastic-652525"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(Cl)ccc5nc34)C2=O"	0	NA	NA	3	3	NA	""
"652533"	"652533"	"8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one"	"Cc1cccc2C(=O)C(=COc12)[Se]C3=COc4c(C)cccc4C3=O"	0	""	""	1	1	374558	""
"652536"	"652536"	""	"[Au+]([n+]1cc[n-]c1)P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	NA	NA	3	2	NA	""
"652537"	"652537"	""	"CCC1(CC)C(=O)[N-]([Au+]P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)[N-]([Au+]P(c5ccccc5)(c6ccccc6)c7ccccc7)C1=O"	0	NA	NA	1	1	NA	""
"652538"	"652538"	""	"C(c1ccccc1)n2cc[n+]3[Au]c4[n+](ccn4Cc5ccccc5)[Au]c6[n+](ccn6Cc7ccccc7)[Au]c23"	0	NA	NA	3	2	NA	""
"652539"	"652539"	""	"CC1=NN(C(=O)C1([Au]P(c2ccccc2)(c3ccccc3)c4ccccc4)[Au]P(c5ccccc5)(c6ccccc6)c7ccccc7)c8ccccc8"	0	NA	NA	2	1	NA	""
"652547"	"652547"	"Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate"	"CCOC(=O)C(OCC1CCC=CC1)Sc2ccccc2"	0	""	""	1	1	374573	""
"652549"	"652549"	"2-[16-(Carboxymethyl)-2,13-dithia-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-5-yl]acetic acid"	"OC(=O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc3ccccc3C1"	0	""	""	1	1	374575	""
"652561"	"652561"	"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone"	"C\C(=N\N)\c1ccc2[nH]c3c(C)cc(c(C)c3c2c1)[N+](=O)[O-]"	0	""	""	1	1	6078917	""
"652562"	"652562"	"4-(4-Fluorophenyl)-2-[8-[[4-(4-fluorophenyl)-5-propyl-1H-imidazol-2-yl]sulfanyl]octylsulfanyl]-5-propyl-1H-imidazole;methanesulfonic acid"	"CCCc1[nH]c(SCCCCCCCCSc2nc(c(CCC)[nH]2)c3ccc(F)cc3)nc1c4ccc(F)cc4"	0	""	""	1	1	374589	""
"652565"	"652565"	"9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate"	"Cc1nc2c(C)c3c4cc(Cl)ccc4[nH]c3c(C)c2c(O)c1C"	0	""	""	3	2	374595	""
"652585"	"652585"	"6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide"	"NC1=NS(=O)(=O)Nc2nc([nH]c12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	135408995	""
"652590"	"652590"	"1,1-dioxo-2,6-diphenethyl-1,2,6-thiadiazinane-3,5-dione"	"O=C1CC(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc3ccccc3"	0	""	""	1	1	374621	""
"652591"	"652591"	"N-Acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide"	"CC(=O)N(C(=O)C)C1=C2C(N3N(C1)C(=O)N(C3=O)c4ccccc4)N(c5ccccc25)S(=O)(=O)c6ccccc6"	0	""	""	1	1	374622	""
"652594"	"652594"	"Diphenylphosphanide;gold;dinitrate"	"[O-][N+](=O)[O-][Au+2]12[Au+2]([O-][N+](=O)[O-])([P-]1(c3ccccc3)c4ccccc4)[P-]2(c5ccccc5)c6ccccc6"	0	""	""	1	1	374625	""
"652596"	"652596"	""	"CC(C)(C)C1=CC(=C2C(=O)C(=O)c3ccccc3C2=O)C=C(C1=O)C(C)(C)C"	0	NA	NA	1	1	NA	""
"652603"	"652603"	"Bengazole A"	"CCCCCCCCCCCCC(=O)OC(c1ocnc1)c2occ(n2)C(O)CC(O)C(O)C(C)O"	0	""	""	3	2	374628	""
"652605"	"652605"	""	"O\N=C(\Nc1ccc(cc1)c2ccc(N\C(=N\O)\C(=N/O)\c3ccccc3)cc2)/C(=N\O)/c4ccccc4"	0	NA	NA	1	1	NA	""
"652680"	"652680"	"Brefeldin A bis-(N,N-dimethylglycine) ester hydrochlorid..."	"C[C@H]1CCC\C=C\C2CC(CC2C(OC(=O)CN(C)C)\C=C\C(=O)O1)OC(=O)CN(C)C"	0	""	""	3	2	24202420	""
"652683"	"652683"	"Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O"	0	""	""	2	1	374647	""
"652728"	"652728"	"N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(O)CCn23)C1=N"	0	""	""	1	1	374652	""
"652730"	"652730"	"N-(7-Methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide"	"COC1=C(NC(=O)C)C(=O)c2nc3CCCn3c2C1=O"	0	""	""	2	1	374654	""
"652731"	"652731"	"4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione"	"O=C1c2nc3CCCn3c2C(=O)c4c1nc5CCCn45"	0	""	""	3	2	374655	""
"652733"	"652733"	"Deoxyisoauriculatin"	"CC(=CCOc1ccc(cc1)C2=COc3cc4OC(C)(C)C=Cc4c(O)c3C2=O)C"	0	""	""	1	1	5459223	""
"652762"	"652762"	"N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine"	"Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)cnc2c1"	0	""	""	1	1	374662	""
"652765"	"652765"	"N2-(4 methoxybenzyl)quinoxaline-2,7-diamine"	"COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1"	0	""	""	1	1	374665	""
"652768"	"652768"	"2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline"	"O=S(Cc1ccccc1)c2nc3ccccc3nc2c4cccs4"	0	""	""	1	1	374668	""
"652807"	"652807"	"(3R,3As)-3-phenyl-3a,4-dihydrothiochromeno[4,3-c]pyrazole-2(3H)-carboxamide"	"NC(=O)N1N=C2[C@@H](CSc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	1	1	374673	""
"652809"	"652809"	"(5R,6S)-5-Phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide"	"NC(=S)N1N=C2[C@@H](CCCc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	2	2	5467466	""
"652810"	"652810"	"(3R,3As)-3-phenyl-3a,4-dihydrochromeno[4,3-c]pyrazole-2(3H)-carboxamide"	"NC(=O)N1N=C2[C@@H](COc3ccccc23)[C@@H]1c4ccccc4"	0	""	""	2	2	374676	""
"652812"	"652812"	"(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole"	"CN1N=C2[C@@H](CCc3ccccc23)C1c4ccccc4"	0	""	""	1	1	374678	""
"652814"	"652814"	"3-[(3As)-2-methyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenol"	"CN1N=C2[C@@H](CCc3ccccc23)C1c4cccc(O)c4"	0	""	""	1	1	374680	""
"652816"	"652816"	"(3R,3As)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	"NC(=S)N1N=C2[C@@H](CCc3ccccc23)[C@@H]1c4cccs4"	0	""	""	1	1	5467468	""
"652818"	"652818"	"(3R,3As)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide"	"S=C(Nc1ccccc1)N2N=C3[C@@H](CCc4ccccc34)[C@@H]2c5ccccc5"	0	""	""	1	1	5467470	""
"652821"	"652821"	"(3S,3As,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride"	"CN1C[C@H]2[C@H](N(N=C2\C(=C\c3ccccc3)\C1)C(=S)N)c4ccccc4"	0	""	""	1	1	11970010	""
"652884"	"652884"	""	"Cc1ccc(c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"652886"	"652886"	""	"COc1ccc(c2c(NCCCN(C)C)c3ccccc3nc12)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"652888"	"652888"	""	"CN(C)CCCNc1c2cccc(C)c2nc3c(C)ccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"652890"	"652890"	"RDS-1158"	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(O)c3)\C2=O)cc1O"	0	""	""	3	1	5467476	""
"652891"	"652891"	"CKY3J88Z94"	"Oc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1"	0	""	""	3	2	5467477	""
"652892"	"652892"	"Butein"	"Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1"	0	""	""	3	1	5281222	""
"652893"	"652893"	"Cyclovalone"	"COc1cc(\C=C\2/CCC\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	""	""	4	3	1550234	""
"652894"	"652894"	"Tricyclo[3.3.1.0(sup 2,7)]non-3-3n3-1-carboxylic acid, 3..."	"OC(=O)C12CC3CC(C1)C(=CC23)P(=O)(O)O"	0	""	""	1	1	374709	""
"652903"	"652903"	"Saframycin AR1(AH2), methycarbinol deriv.-, stereoisomer"	""	0	NA	NA	4	4	NA	""
"652913"	"652913"	"N'-(4-Chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide"	"Clc1ccc(cc1)C(=O)NNC(=O)c2nsc3ccccc23"	0	""	""	1	1	374721	""
"652915"	"652915"	"2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole"	"o1c(nnc1c2nsc3ccccc23)c4ccccc4"	0	""	""	1	1	374723	""
"652919"	"652919"	"1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea"	"CCNC(=S)NNC(=O)c1nsc2ccccc12"	0	""	""	1	1	3004428	""
"652920"	"652920"	"1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea"	"O=C(NNC(=S)Nc1ccccc1)c2nsc3ccccc23"	0	""	""	1	1	3004429	""
"652924"	"652924"	"5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(Nc2nnc(s2)c3nsc4ccccc34)cc1"	0	""	""	2	2	374732	""
"652925"	"652925"	"3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole"	"CCn1cnnc1c2nsc3ccccc23"	0	""	""	1	1	374733	""
"652930"	"652930"	""	"OC(=O)CC\C(=N/Nc1nsc2ccccc12)\c3ccccc3"	0	NA	NA	1	1	NA	""
"652935"	"652935"	"3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole"	"COc1ccc(cc1)c2nnc3c4ccccc4sn23"	0	""	""	1	1	374743	""
"653000"	"653000"	"Hexahydroxyethylaminomethyl melamine"	"OCCNCN(CNCCO)c1nc(nc(n1)N(CNCCO)CNCCO)N(CNCCO)CNCCO"	0	""	""	2	1	374756	""
"653001"	"653001"	"Tricyanoethoxymethyl trimethylol melamine"	"OCN(COCCC#N)c1nc(nc(n1)N(CO)COCCC#N)N(CO)COCCC#N"	0	""	""	1	1	374757	""
"653003"	"653003"	"2h,6h-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-10-m..."	"COc1c2OC(C)(C)CCc2cc3C(=CC(=O)Oc13)CCc4ccccc4"	0	""	""	1	1	374759	""
"653006"	"653006"	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccccc3O)n1"	0	""	""	2	2	135409001	""
"653008"	"653008"	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3cccc(O)c3)n1"	0	""	""	1	1	135409003	""
"653009"	"653009"	"2-{[2-Chloro-4-(4-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccc(cc3)[N+](=O)[O-])n1"	0	""	""	1	1	135409004	""
"653010"	"653010"	"2-{[2-Chloro-4-(3-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one"	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3cccc(c3)[N+](=O)[O-])n1"	0	""	""	1	1	135409005	""
"653011"	"653011"	"3-Azetidinone, 2-chloro-1-[(6-hydroxy-4-methyl- 2-pyrimi..."	"Cc1cc(O)nc(NN2C(Cl)C(=O)C2c3ccc(Cl)cc3)n1"	0	""	""	2	1	135409006	""
"653013"	"653013"	"2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone"	"COc1ccc(cc1OC)C2N(Nc3nc(C)cc(O)n3)C(Cl)C2=O"	0	""	""	1	1	135409008	""
"653015"	"653015"	"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone"	"COc1cc(cc(OC)c1OC)C2N(Nc3nc(C)cc(O)n3)C(Cl)C2=O"	0	""	""	1	1	135409010	""
"653024"	"653024"	"2-Chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one"	"[O-][N+](=O)c1ccccc1N2C(Cl)C(=O)C2c3c[nH]c4ccccc34"	0	""	""	1	1	374779	""
"653028"	"653028"	"2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone"	"ClC1N(C(C1=O)c2c[nH]c3ccccc23)c4ccc(Cl)cc4Cl"	0	""	""	1	1	374783	""
"653029"	"653029"	"N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide"	"Oc1ccccc1C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	374784	""
"653037"	"653037"	"N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide"	"COc1cc(ccc1O)C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	374792	""
"653039"	"653039"	"N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide"	"COc1cc(cc(OC)c1OC)C2C(Cl)C(=O)N2NC(=O)c3ccccc3O"	0	""	""	1	1	374794	""
"653049"	"653049"	"IPA/NO : methyl ether"	"CON=[N+]([O-])NC(C)C"	0	NA	NA	1	1	NA	""
"653146"	"653146"	"Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate"	"CCCc1c([nH]c(c2ccc(s2)c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)c1C(=O)OCC)C(=O)OCC"	0	""	""	1	1	374809	""
"653147"	"653147"	"5-[5-(5-Formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde"	"CCCc1cc([nH]c1C=O)c2ccc(s2)c3cc(CCC)c(C=O)[nH]3"	0	""	""	2	2	374810	""
"653148"	"653148"	"3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde"	"CCCc1c[nH]c(c1)c2ccc(s2)c3cc(CCC)c(C=O)[nH]3"	0	""	""	1	1	374811	""
"653153"	"653153"	"2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane"	"C(COc1cc(OCCOc2ccccc2C3OCCO3)c(OCCOc4ccccc4C5OCCO5)cc1OCCOc6ccccc6C7OCCO7)Oc8ccccc8C9OCCO9"	0	""	""	1	1	374816	""
"653154"	"653154"	"Kihadalactone A"	"CC(=O)OC1CC2C(C)(C)OC(=O)CC(OC(=O)C)[C@]2(C)C3CCC4(C)C(CC=C4[C@]13C)c5cocc5"	0	""	""	1	1	374817	""
"653244"	"653244"	"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptade"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccc(cc6)C(F)(F)F)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	6712036	""
"653245"	"653245"	"3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol"	"S=C1NC(=S)c2nnn(c2N1)c3ccccc3"	0	""	""	1	1	135409014	""
"653255"	"653255"	"1-Cyano-2-(3',4',5'-trimethoxybenzyl)-10-N-methylphenoth..."	"COc1cc(Cc2ccc3Sc4ccccc4N(C)c3c2C#N)cc(OC)c1OC"	0	""	""	1	1	374832	""
"653260"	"653260"	"HSCI1_000155"	"Oc1ccc(\C=C(/C#N)\C(=O)NC2CCC(CC3CCC(CC3)NC(=O)\C(=C\c4ccc(O)c(O)c4)\C#N)CC2)cc1O"	0	""	""	2	2	5467485	""
"653263"	"653263"	"Triphenyl{[1-(phenylsulfonyl)-1h-indol-3-yl]methyl}phosphonium bromide"	"O=S(=O)(c1ccccc1)n2cc(C[P+](c3ccccc3)(c4ccccc4)c5ccccc5)c6ccccc26"	0	""	""	1	1	374836	""
"653267"	"653267"	"{2-[(Benzylamino)methyl]-1H-indole-1,3-diyl}bis(phenylmethanone)"	"O=C(c1ccccc1)c2c(CNCc3ccccc3)n(C(=O)c4ccccc4)c5ccccc25"	0	""	""	1	1	374841	""
"653268"	"653268"	"Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate"	"CCOC(=O)CN(Cc1ccccc1)Cc2c(C(=O)c3ccccc3)c4ccccc4n2C(=O)c5ccccc5"	0	""	""	1	1	374842	""
"653270"	"653270"	"2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone"	"COc1cc(OC)cc(c1)C(=O)Cc2c(C(=O)c3ccccc3)c4ccccc4n2C(=O)c5ccccc5"	0	""	""	1	1	374844	""
"653276"	"653276"	"{[1-(Methoxycarbonyl)-1H-indol-2-yl]methyl}(triphenyl)phosphonium bromide"	"COC(=O)n1c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc5ccccc15"	0	""	""	1	1	374850	""
"653318"	"653318"	"3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one"	"O=C1NC2=C(N=C1NC34CC5CC(CC(C5)C3)C4)C(=O)Oc6ccccc26"	0	""	""	1	1	374858	""
"653384"	"653384"	"Epiaschantin"	"COc1cc(cc(OC)c1OC)[C@@H]2OCC3C2COC3c4ccc5OCOc5c4"	0	""	""	1	1	374872	""
"653410"	"653410"	".beta-Penta-O-galloyl-D-glucose"	"Oc1cc(cc(O)c1O)C(=O)OCC2OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c4cc(O)c(O)c(O)c4)C(OC(=O)c5cc(O)c(O)c(O)c5)C2OC(=O)c6cc(O)c(O)c(O)c6"	0	""	""	1	1	374874	""
"653417"	"653417"	"6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine"	"Clc1ncnc2c1ncn2CCCCCCCCCCCCn3cnc4c(Cl)ncnc34"	0	""	""	1	1	374881	""
"653420"	"653420"	""	"C[C@]12CCC3C(CCc4cc(Oc5nc(F)nc(n5)c6c7ccccc7c8SCCn68)ccc34)C1CCC2(O)C#C"	0	NA	NA	1	1	NA	""
"653422"	"653422"	"2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile"	"Fc1ccc(cc1)n2cc3ccccc3c2C#N"	0	""	""	1	1	374886	""
"653438"	"653438"	"11H-Benzo[g]pyrido[4,3-b]indol-4-ol, 7-[[3-diethylamino)..."	"CCN(CC)CCCNc1ncc(C)c2c1c3ccc4c(O)cccc4c3n2C"	0	""	""	3	2	374898	""
"653499"	"653499"	"N-DAM"	"[O-][N+](=O)c1ccc(NN2C(=O)C=CC2=O)c(c1)[N+](=O)[O-]"	0	""	""	2	1	152320	""
"653509"	"653509"	"2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide"	"COP1(=O)Oc2ccccc2C(=O)C(O1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	374924	""
"653512"	"653512"	"4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone"	"CC1CCc2c(C1)sc3ncnc(N\N=C\c4ccc(Cl)cc4)c23"	0	""	""	1	1	9555913	""
"653543"	"653543"	"2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic aci..."	"OC(=O)c1cc2C3=NN(C(=O)C3=CNc2s1)c4ccccc4"	0	""	""	1	1	374930	"124031034"
"653546"	"653546"	"2-Bromoethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate"	"COc1cc2cc3N(CCc4cc(OC)c(OC)c(c2cc1OC)c34)C(=O)OCCBr"	0	""	""	1	1	374932	""
"653547"	"653547"	"[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate"	"CC(C)(C)C(=O)OCC1C(COC1=O)C(=O)N2Cc3cc4ccccc4nc3C2"	0	""	""	3	3	374933	""
"653551"	"653551"	"4,4-Diethyl-2,6,9-trioxo-1,7-diphenyl-3,5,8-trioxa-4-stannadec-1-yl acetate"	"CC[Sn](CC)(OC(=O)C(OC(=O)C)c1ccccc1)OC(=O)C(OC(=O)C)c2ccccc2"	0	""	""	1	1	16683246	""
"653556"	"653556"	"Tributylgermyl 2-chloroacetate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)CCl"	0	""	""	1	1	16683248	""
"653557"	"653557"	"Tributylgermyl 3-oxo-3-phenyl-propanoate"	"CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)c1ccccc1"	0	""	""	1	1	16683249	""
"653558"	"653558"	"NCIMech_000758"	"CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC"	0	""	""	1	1	16683583	""
"653563"	"653563"	"1,4-Bis(4-nitrophenyl)-3,6-di(izo-propoxyphosphoryl)-1,4..."	"CC(C)OP(=O)(OC(C)C)C1=NN(C(=NN1c2ccc(cc2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	374954	""
"653614"	"653614"	"[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile"	"COC(CC(=C(C#N)C#N)c1cc(OC)c(OC)c(OC)c1)OC"	0	""	""	1	1	374956	""
"653621"	"653621"	""	"COC(=O)C(C)N(C)C(=O)[C@H](CC(=O)N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C"	0	NA	NA	2	2	NA	""
"653624"	"653624"	"Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)OCc3ccccc3"	0	""	""	2	1	6712043	""
"653625"	"653625"	""	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3"	0	NA	NA	2	1	NA	""
"653626"	"653626"	"Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrro"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3"	0	""	""	2	1	54604791	""
"653627"	"653627"	"Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin"	"CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCC[C@@H]2C(=O)OCc3ccccc3"	0	""	""	2	1	54608164	""
"653629"	"653629"	"4-[(E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)C(=O)\C=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	1	1	5908269	""
"653809"	"653809"	""	"NC1=NC(=O)N(CC(CO)CC(c2ccccc2)P(=O)(O)O)C=C1"	0	NA	NA	1	1	NA	""
"653813"	"653813"	"[2-(2-Amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane"	"NC1=Nc2c(ncn2CCOC(c3ccccc3)P(=O)(O)O)C(=O)N1"	0	""	""	1	1	135499350	""
"653820"	"653820"	""	"Nc1nc(N)c2ncn(CC(CO)CC(c3ccccc3)P(=O)(O)O)c2n1"	0	NA	NA	1	1	NA	""
"653821"	"653821"	""	"Nc1ncnc2c1ncn2CC(CO)CC(c3ccccc3)P(=O)(O)O"	0	NA	NA	1	1	NA	""
"653822"	"653822"	""	"NC1=NC(=O)N(CC(CO)CC(c2ccccc2)P(=O)(O)O)C=C1"	0	NA	NA	1	1	NA	""
"653823"	"653823"	"N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide"	"Oc1ccccc1C(NNC(=O)Cc2ccccc2)C#N"	0	""	""	3	2	374997	""
"653830"	"653830"	"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide"	"Oc1ccc2ccccc2c1C(NNC(=O)Cc3ccccc3)C#N"	0	""	""	3	2	375004	""
"653831"	"653831"	"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile"	"Cc1cc(O)nc(NNC(C#N)c2ccccc2O)n1"	0	""	""	1	1	135409022	""
"653840"	"653840"	"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile"	"Cc1cc(O)nc(NNC(C#N)c2c(O)ccc3ccccc23)n1"	0	""	""	1	1	135409031	""
"653841"	"653841"	"N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(=O)NNC(C#N)c2ccccc2"	0	""	""	1	1	375015	""
"653842"	"653842"	"N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	375016	""
"653843"	"653843"	"N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccc(cc1)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	375017	""
"653844"	"653844"	"N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide"	"Oc1cccc(c1)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	375018	""
"653845"	"653845"	"N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide"	"COc1cc(ccc1O)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	375019	""
"653846"	"653846"	"Benzoic acid, 2-hydroxy-, 2-[(3,4-dimethoxyphenyl)(cyano..."	"COc1ccc(cc1OC)C(NNC(=O)c2ccccc2O)C#N"	0	""	""	1	1	375020	""
"653847"	"653847"	"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide"	"Oc1ccccc1C(=O)NNC(C#N)c2c(O)ccc3ccccc23"	0	""	""	3	2	375021	""
"653849"	"653849"	"(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile"	"Cc1cc2ncn(c3nc4ccccc4nc3C(C#N)S(=O)(=O)C)c2cc1C"	0	""	""	1	1	375023	""
"653851"	"653851"	"Indolizino[2,3-b]quinoxaline-12-carbonitrile"	"N#Cc1c2ccccn2c3nc4ccccc4nc13"	0	""	""	1	1	375025	""
"653852"	"653852"	"Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate"	"CCOC(=O)c1ccn2c(c1)c(C#N)c3nc4ccccc4nc23"	0	""	""	1	1	375026	""
"653853"	"653853"	"14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline"	"Brc1c2nc3ccccc3nc2n4ccc5ccccc5c14"	0	""	""	1	1	375027	""
"653855"	"653855"	"4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone"	"Cc1ccc(cc1)S(=O)(=O)C2c3nc4ccccc4cc3c5nc6ccccc6nc25"	0	""	""	1	1	375029	""
"653857"	"653857"	"12-(4-Methylphenyl)sulfonyl-10-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaene-14,21-dione"	"Cc1ccc(cc1)S(=O)(=O)C2=C3N=C4C=CC=CC4=CC3=C5C2C(=O)c6ccccc6C5=O"	0	""	""	1	1	375031	""
"653860"	"653860"	"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](NCCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	375034	""
"653861"	"653861"	"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)C2C3[C@H](COC3=O)[C@H](NCCCN(C)C)c4cc5OCOc5cc24"	0	""	""	1	1	375035	""
"653862"	"653862"	"Diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CC[C@@H](NC(=O)c1ccc(N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25)cc1)C(=O)OCC"	0	""	""	1	1	375036	""
"653863"	"653863"	"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate"	"CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25"	0	""	""	1	1	375037	""
"653864"	"653864"	"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride"	"CCOC(=O)N1CCC(CC1)N[C@H]2[C@H]3COC(=O)C3C(c4cc(OC)c(O)c(OC)c4)c5cc6OCOc6cc25"	0	""	""	1	1	375038	""
"653936"	"653936"	"BAS 01081611"	"CC1=Nc2ccccc2C(=O)N1NC(=S)Nc3ccccc3"	0	""	""	1	1	832521	""
"653939"	"653939"	"1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea"	"CC1=Nc2ccccc2C(=O)N1NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-]"	0	""	""	2	1	3001685	""
"653949"	"653949"	""	"[R]=O.COc1ccc2[C@@H]3CC[C@]4(C)[C@H](Cc5nonc45)[C@H]3CCc2c1"	0	NA	NA	1	1	NA	""
"653950"	"653950"	"3-Bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)C2(Br)S(=O)(=O)OCCOS2(=O)=O"	0	""	""	1	1	375066	""
"654017"	"654017"	"(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile"	"FC(F)(F)c1cccc(NC(C#N)c2ccccc2C(F)(F)F)c1"	0	""	""	2	1	375079	""
"654100"	"654100"	"Carnosic acid 12-methyl ether-.gamma.-lactone"	"COc1c(cc2CCC3C(C)(C)CCC[C@@]34C(=O)Oc1c24)C(C)C"	0	NA	NA	1	1	NA	""
"654103"	"654103"	"1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone"	"O=C(CN(c1ccccc1)c2ccccc2)N3C4C=CC=CC4c5ccccc35"	0	""	""	2	1	375090	""
"654104"	"654104"	"1-(9H-Carbazol-9-yl)-2-(diphenylamino)propan-1-one"	"CC(N(c1ccccc1)c2ccccc2)C(=O)n3c4ccccc4c5ccccc35"	0	""	""	1	1	375091	""
"654111"	"654111"	"2-Phenyoxyethyl vinyl ether (PhEVE)"	"C=COCCCOc1ccccc1"	0	""	""	2	1	375100	""
"654114"	"654114"	"Thiochroman-4-ol"	"OC1CCSc2ccccc12"	0	""	""	1	1	375102	""
"654206"	"654206"	"Naphthsaritone"	"CC1=CC(=O)c2cccc(O)c2C1=O"	0	""	""	3	2	375105	""
"654207"	"654207"	"Salpichrolide A"	"CC(C1C[C@]2(C)O[C@]2(C)[C@H](O)O1)c3ccc4C5CC6OC67CC=CC(=O)[C@]7(C)C5CCc4c3"	0	NA	NA	1	1	NA	""
"654208"	"654208"	"Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hex..."	"C[C@H]1CC2OC(=O)C(=C)C2CC3=C(C)C(=O)CC13"	0	""	""	2	2	375107	""
"654225"	"654225"	"(E)-N-Hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide"	"CCCCCCCC\C=C\CCCCCCCC(=O)N(O)C1CC(OC1CO)N2C=C(C)C(=O)NC2=O"	0	""	""	1	1	5467513	""
"654235"	"654235"	"1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-"	"COc1c(O)c2ccccc2c3C4CC(C=C4)c13"	0	""	""	1	1	375112	""
"654236"	"654236"	"10-Methoxyphenanthrene-3,9-diol"	"COc1c(O)c2ccccc2c3cc(O)ccc13"	0	""	""	5	3	375113	""
"654238"	"654238"	"5-Benzyl-6-hydrazinyl-3-phenyl-1,2,4-triazine"	"NNc1nnc(nc1Cc2ccccc2)c3ccccc3"	0	""	""	1	1	375115	""
"654239"	"654239"	"Cytoblastin"	"CC(C)C1N(C)c2ccc(C(C(O)CO)c3c[nH]c4ccccc34)c5[nH]cc(CC(CO)NC1=O)c25"	0	""	""	1	1	132024	""
"654259"	"654259"	"Glycylaminophenylbenzoylurea (HCl salt)"	"Cc1cc(NC(=O)NC(=O)c2ccccc2NC(=O)CN)ccc1Oc3ncc(Br)cn3"	0	""	""	6	3	375119	""
"654260"	"654260"	"2-(2-aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3..."	"CC(N)C(=O)Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	6	3	375121	""
"654261"	"654261"	"DMG AMINO BPU"	"CN(C)CC(=O)Nc1ccccc1C(=O)NC(=O)Nc2ccc(Oc3ncc(Br)cn3)c(C)c2"	0	""	""	6	3	375123	""
"654283"	"654283"	"Pyrayafoline B"	"Cc1cc2c(cc1O)[nH]c3cc4OC(C)(C)C=Cc4cc23"	0	""	""	1	1	375149	""
"654284"	"654284"	"Murrayafoline A"	"COc1cc(C)cc2c3ccccc3[nH]c12"	0	""	""	1	1	375150	""
"654289"	"654289"	"C23H25NO2"	"CC(=C)C(O)CCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1"	0	""	""	2	1	375155	""
"654294"	"654294"	"Dichloropalladium;1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole;tripropylphosphane"	"CCCP(CCC)(CCC)[Pd+2]([ClH-])([ClH-])[n+]1c2CSC(c3c(F)cccc3F)n2c4ccccc14"	0	""	""	1	1	500135	""
"654376"	"654376"	"ANTINEOPLASTIC-654376"	"[ClH-][Cu+2]12S=C([N-][N+]1=C(c3ccccc3)c4cccc[n+]24)N5CCCCC5"	0	NA	NA	3	2	NA	""
"654377"	"654377"	""	"CN(C)C1=S[Cu+2]2([ClH-])O=C3Nc4ccccc4C3=[N+]2[N-]1"	0	NA	NA	2	2	NA	""
"654378"	"654378"	""	"CN(CCc1ccccn1)C2=S[Cu+2]3([ClH-])([ClH-])[N+](=C(C)c4cccc[n+]34)N2"	0	NA	NA	4	2	NA	""
"654379"	"654379"	"ANTINEOPLASTIC-654379"	"CCCNC1=S[Cu+2]2([ClH-])([ClH-])[N+](=C(C)c3cccc[n+]23)N1"	0	NA	NA	6	3	NA	""
"654492"	"654492"	"Chloroform/methanol extract from pancratium maritimum L...."	""	0	NA	NA	1	1	NA	""
"654497"	"654497"	"Chloroform/methanol extract from pancratium maritimum L...."	""	0	NA	NA	1	1	NA	""
"654508"	"654508"	"Aclarlubicin HCl"	"CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC"	0	""	""	3	2	11970023	""
"654509"	"654509"	"pirarubicin hcl"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	3	3	11970024	""
"654622"	"654622"	"5-Azido-2-methyl-6-phenylpyridazin-3(2h)-one"	"CN1N=C(C(=CC1=O)N=[N+]=[N-])c2ccccc2"	0	""	""	1	1	375232	""
"654628"	"654628"	"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc(cc1Cl)C(=O)c2ccc(Cl)cc2)C(=O)Nc3c(Cl)cccc3Cl"	0	""	""	1	1	375239	""
"654629"	"654629"	"N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide"	"CC(C)(Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3)C(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	375240	""
"654630"	"654630"	"2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide"	"CC(C)(Oc1ccc2C(=O)C=C(Oc2c1)c3ccc(Cl)cc3)C(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	375241	""
"654631"	"654631"	"N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide"	"CC(C)(Oc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(=O)Nc3c(Cl)cccc3Cl"	0	""	""	2	1	5467517	""
"654663"	"654663"	"Auristatin PE"	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc2ccccc2)OC)N(C)C(=O)C(NC(=O)[C@H](C(C)C)N(C)C)C(C)C"	0	""	""	3	3	375252	""
"654704"	"654704"	"Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate"	"COC(=O)c1ccccc1NCc2cc(O)ccc2O"	0	""	""	2	2	375253	""
"654705"	"654705"	"AG 957"	"COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	3	3	2064	"140674766"
"654710"	"654710"	"3-Amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile"	"Nc1nn(c2ccccc2)c(\C(=C\c3ccc(O)c(O)c3)\C#N)c1C#N"	0	""	""	1	1	135499353	""
"654726"	"654726"	"Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate"	"CC#[N+][Mo+2]123(O=C(C)[O-][Mo+2]14(O=C(C)[O-]2)([N+]#CC)[n+]5cccc6ccc7ccc[n+]4c7c56)[n+]8cccc9ccc%10ccc[n+]3c%10c89.[F-][B+3]([F-])([F-])[F-]"	0	""	""	1	1	11979917	""
"654733"	"654733"	"2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide"	"CCN(CC)CCCNC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl"	0	""	""	1	1	375259	""
"654785"	"654785"	"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	"CC(=O)Nc1ccc(cc1)c2oc(SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])nn2"	0	""	""	1	1	375268	""
"654813"	"654813"	"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide"	"[O-][N+](=O)c1ccc(NC(=O)CSc2oc(nn2)c3ccc(cc3)\N=C/c4ccc(Cl)cc4)cc1"	0	""	""	1	1	375296	""
"654820"	"654820"	"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide"	"COc1ccc(NC(=O)CSc2oc(nn2)c3ccc(cc3)\N=C/c4ccc(Cl)cc4)cc1"	0	""	""	2	1	375303	""
"654828"	"654828"	"Cambridge id 5133154"	"O=C1C2C(C3c4ccccc4C2c5ccccc35)C(=O)c6ccccc16"	0	""	""	1	1	375311	""
"654830"	"654830"	"antineoplastic-d654830"	"CCC(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CC(=C)C(=O)O)C(=O)O"	0	""	""	3	2	375312	""
"654893"	"654893"	""	"C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC(=O)C56OC5CC(=C)C6=O"	0	NA	NA	3	3	NA	""
"654894"	"654894"	"[(8R,13S,17S)-3-Benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate"	"C[C@]12CCC3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)C1CC[C@@H]2OC(=O)C67OC6CCC7=O"	0	""	""	2	2	5459229	""
"654895"	"654895"	""	"CC1=N\C(=C\c2ccc(N)cc2)\C(=O)N1Nc3nnc(NN4C(=N\C(=C\c5ccc(N)cc5)\C4=O)C)c6ccccc36"	0	NA	NA	1	1	NA	""
"654902"	"654902"	"1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine"	"CN(C)CCn1c(N)c(c2nc3ccccc3nc12)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	375328	""
"654949"	"654949"	"N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine"	"C1CCC(C1)Nc2nc3ccccc3c4[nH]c(nc24)C5CCCC5"	0	""	""	2	2	5465569	""
"654968"	"654968"	"2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-"	"CC1CSC(=S)N1C(=O)N2C(C)CSC2=S"	0	""	""	5	1	375344	""
"654971"	"654971"	"8-Methoxycirsilineol"	"COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	""	""	1	1	181092	""
"654982"	"654982"	"2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one"	"CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3N2"	0	""	""	1	1	375358	""
"654983"	"654983"	"2-(3-Methoxyphenyl)quinolin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3ccccc3N2"	0	""	""	2	2	375359	""
"654986"	"654986"	"2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3ccccc3N2"	0	""	""	1	1	375362	""
"654987"	"654987"	"2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one"	"COc1cc2NC(=CC(=O)c2cc1OC)c3cccc(c3)N(C)C"	0	""	""	2	2	375363	""
"655035"	"655035"	"N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)S(=O)(=O)c2nnc(NC(=O)C)s2"	0	""	""	1	1	375369	""
"655044"	"655044"	"N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)\S(=N/S(=O)(=O)c2ccc(C)cc2)\Cc3ccccc3"	0	""	""	1	1	6101991	""
"655058"	"655058"	"4'-nitrobenzenesulfenylanilide"	"[O-][N+](=O)c1ccc(NSc2ccccc2)cc1"	0	""	""	1	1	375386	""
"655072"	"655072"	"Dimethyl 2,2'-(pyridine-2,6-diyldicarbonyl)bis(1-methylhydrazinecarbodithioate)"	"CSC(=S)N(C)NC(=O)c1cccc(n1)C(=O)NN(C)C(=S)SC"	0	""	""	1	1	375401	""
"655077"	"655077"	"(4R)-4-[(1S)-3,3-Diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione"	"CCOC(C[C@H](O)[C@H]1COC(=S)S1)OCC"	0	""	""	1	1	6712076	""
"655092"	"655092"	""	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"655094"	"655094"	"Benzyl 3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoate"	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OCc2ccccc2"	0	""	""	1	1	375408	""
"655105"	"655105"	"Cycloshikonin"	"CC1(C)CC[C@@H](O1)c2cc(O)c3C(=O)C=CC(=O)c3c2O"	0	""	""	4	3	375418	""
"655144"	"655144"	""	"Cc1ccc(\C=N/NC2c3cc(Cl)ccc3Nc4nc(O)nc(C)c24)cc1"	0	NA	NA	1	1	NA	""
"655161"	"655161"	"1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione"	"CCN1C(=O)N(C)C(O)C2=C1N=C3C=CC=CN3C2=O"	0	""	""	1	1	375438	""
"655166"	"655166"	"STK839136"	"S1C(=NN(c2ccccc2)C13SC(c4ccccc4)(c5ccccc5)c6ccccc36)c7ccccc7"	0	""	""	1	1	375443	""
"655183"	"655183"	"3,5-Dibromo-2-[5-(2,4-dibromo-6-carboxyphenoxy)-3-(2,4-dibromo-6-carboxyphenoxy)carbonyl-5-oxopentanoyl]oxybenzoic acid"	"OC(=O)c1cc(Br)cc(Br)c1OC(=O)CC(CC(=O)Oc2c(Br)cc(Br)cc2C(=O)O)C(=O)Oc3c(Br)cc(Br)cc3C(=O)O"	0	""	""	1	1	375451	""
"655247"	"655247"	"Isoquinoline-3-carboxylic acid, 7,8-dihydroxy-, methyl e..."	"COC(=O)c1cc2ccc(O)c(O)c2cn1"	0	""	""	3	1	135499358	""
"655249"	"655249"	"3-Isoquinolinecarboxylic acid, 7,8-bis(acetyloxy)-, meth..."	"COC(=O)c1cc2ccc(OC(=O)C)c(OC(=O)C)c2cn1"	0	""	""	3	1	375465	"142822864"
"655266"	"655266"	"1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one"	"C=CC(=O)c1ccc2OCCOCCOCCOCCOCCOc2c1"	0	""	""	2	1	375484	""
"655275"	"655275"	""	"C1CC\C=C/2\CC[C@H](Sc3ccccc3)C2C4(CC1)OCCO4"	0	NA	NA	1	1	NA	""
"655276"	"655276"	""	"O=C1CCCCC\C=C/2\CC[C@H](Sc3ccccc3)[C@@H]12"	0	NA	NA	1	1	NA	""
"655305"	"655305"	"9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one"	"CC1(OCCO1)c2cccc(c2)C3CCC4(OCCO4)C=CC3=O"	0	""	""	2	2	375526	""
"655310"	"655310"	"17'-Methoxyspiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13(18),14,16-triene]-1'-ol"	"COc1cccc2C3CCCCCCCCCC4(OCCCO4)C3(O)c12"	0	""	""	2	2	375531	""
"655319"	"655319"	"Spiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol"	"OC12C(CCCCCCCCCC13OCCCO3)c4ccccc24"	0	""	""	1	1	375540	""
"655331"	"655331"	""	"CC1\C=C\C=C/C=C\C(=O)NC2=C(N)C(=O)c3c(cc(C)c(O)c3C(=O)\C(=C\C(C)C(O)C(C)\C=C\C(O)C\C=C(/C)\C(=O)CC1O)\C)C2=O"	0	NA	NA	1	1	NA	""
"655345"	"655345"	""	"COc1ccc(\C=C/2\S\C(=N/c3ccccc3)\N(NC(=O)Cc4ccccc4)C2=O)c(OC)c1"	0	NA	NA	1	1	NA	""
"655347"	"655347"	"3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)N2C(SCC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	375559	""
"655348"	"655348"	"2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccccc1N2C(SCC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	375560	""
"655353"	"655353"	"3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one"	"Clc1ccc(N2C(SCC2=O)c3c[nH]c4ccccc34)c(Cl)c1"	0	""	""	1	1	375565	""
"655358"	"655358"	"S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine"	"CC1(CC(=O)NC1=O)SCC(N)C(=O)O"	0	""	""	1	1	375571	""
"655360"	"655360"	"3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one"	"OC1COC2(O)C1OC(=O)C2(O)C(C[N+](=O)[O-])c3ccc(Cl)cc3"	0	""	""	5	2	375573	""
"655365"	"655365"	""	"CN(C(CC=C)P(=O)(Oc1ccccc1)Oc2ccccc2)C(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4"	0	NA	NA	1	1	NA	""
"655393"	"655393"	""	"O=C1N(\C(=C(\C#N)/c2nc3ccccc3[nH]2)\S/C/1=C/c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"655394"	"655394"	""	"COc1ccc(\C=C/2\S\C(=C(/C#N)\c3nc4ccccc4[nH]3)\N(C2=O)c5ccccc5)cc1"	0	NA	NA	2	2	NA	""
"655400"	"655400"	"7-Chloro-5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	"CCN(CC)CC1CCCCN1CC(=O)N2C(C)CC(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	375586	""
"655402"	"655402"	"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene"	"COc1ccc(\C=C(/Cl)\c2ccc(OC)cc2)cc1"	0	""	""	1	1	5467547	""
"655403"	"655403"	""	"COc1ccc(\C=C(/Cl)\c2ccc(OC)c(OC)c2)cc1OC"	0	NA	NA	3	1	NA	""
"655419"	"655419"	"4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione"	"COc1ccccc1N2C(=C3C(=C(NC3=NC2=S)c4ccccc4)C)N"	0	""	""	1	1	3004447	""
"655428"	"655428"	"Ethyl 2-[2-(2-benzamidoethyl)-5-chloro-thiazol-4-yl]thiazole-4-carboxylate"	"CCOC(=O)c1csc(n1)c2nc(CCNC(=O)c3ccccc3)sc2Cl"	0	""	""	1	1	375606	""
"655430"	"655430"	"Methyl 2-[5-bromo-2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate"	"COC(=O)c1csc(n1)c2nc(CCNC(=O)OC(C)(C)C)sc2Br"	0	""	""	1	1	375608	""
"655438"	"655438"	"Benzyl 2-(dibenzylamino)-3-phenylpropanoate"	"O=C(OCc1ccccc1)C(Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4"	0	""	""	1	1	375616	""
"655440"	"655440"	"1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione"	"COc1cc(OC)cc(c1)C(=O)CC(=O)c2cc(OC)cc(OC)c2"	0	""	""	1	1	375618	""
"655444"	"655444"	"2,3,10,11-Tetramethoxy-8-methylisoquino[3,2-a]isoquinolinium-13-olate"	"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4c(O)c3c2cc1OC"	0	""	""	1	1	375621	""
"655458"	"655458"	"3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium"	"Cc1cc2c(ccc[n+]2[O-])[n+]([O-])c1"	0	""	""	1	1	375636	""
"655501"	"655501"	"5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one"	"Clc1ccc(cc1)C23CCC(=O)N2c4cnccc4N3"	0	""	""	1	1	375660	""
"655502"	"655502"	"5a-Methyl-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one"	"CC12CCC(=O)N1c3cncnc3N2"	0	""	""	1	1	375661	""
"655503"	"655503"	"5a-(4-Chlorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one"	"Clc1ccc(cc1)C23CCC(=O)N2c4cncnc4N3"	0	""	""	1	1	375662	""
"655509"	"655509"	"4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester"	"CO\C(=N/N=C/c1cccc(c1)C(F)(F)F)\c2ccncc2"	0	""	""	2	1	9555922	""
"655524"	"655524"	"(+)-.alpha.-Viniferin"	"Oc1ccc(cc1)C2Oc3cc(O)cc4C5C(Oc6cc(O)cc(C7C(Oc8cc(O)cc(C2c34)c78)c9ccc(O)cc9)c56)c%10ccc(O)cc%10"	0	""	""	1	1	375682	""
"655525"	"655525"	"[7-(3,5-Dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-y"	"Oc1ccc(cc1)C2Oc3cc(O)c(cc3C2c4cc(O)cc(O)c4)C5C(Oc6cc(O)c7C(C(C(C(=O)c8ccc(O)cc8)c7c56)c9cc(O)cc(O)c9)c%10ccc(O)cc%10)c%11ccc(O)cc%11"	0	""	""	1	1	16129877	""
"655527"	"655527"	"dianilino(imino)[?]thione"	"NC1=NC2=C3N=C(Nc4ccccc4)SC3=NC(=S)N2c5sc(Nc6ccccc6)nc15"	0	""	""	1	1	3004448	""
"655617"	"655617"	".beta.-Cyclohexanoblastine"	"CC[C@@]12C=CCN3CCC4([C@H]13)C(N(C)c5cc(OC)c(cc45)[C@]6(CC7CN(CCc8c6[nH]c9ccccc89)CC%10CCCCC7%10)C(=O)OC)[C@@](O)(C2OC(=O)C)C(=O)OC"	0	""	""	2	2	11970034	""
"655619"	"655619"	"(3S,4S)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	"CCOC1OC(=O)[C@@](C)([C@@H]1C)C(=O)C"	0	""	""	1	1	6712082	""
"655620"	"655620"	"(3R,4S,5R)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one"	"CCO[C@@H]1OC(=O)[C@](C)([C@@H]1C)C(=O)C"	0	""	""	1	1	6712083	""
"655649"	"655649"	"Becatecarin"	"CCN(CC)CCN1C(=O)c2c(C1=O)c3c4cccc(Cl)c4n(C5OC(CO)C(OC)C(O)C5O)c3c6[nH]c7c(Cl)cccc7c26"	0	NA	NA	2	2	NA	"119673084"
"655737"	"655737"	"Epoxy-chiromodine"	"COC(=O)C1CCC2(C)[C@H](CCC3O[C@@]23C)[C@@]1(C)CC(=O)c4cocc4"	0	""	""	1	1	6712084	""
"655739"	"655739"	"[2-(Methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide"	"CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[n+]1cccc2ccccc12)COC"	0	""	""	2	2	375730	""
"655748"	"655748"	""	""	0	NA	NA	1	1	NA	""
"655751"	"655751"	""	""	0	NA	NA	2	2	NA	""
"655754"	"655754"	""	""	0	NA	NA	1	1	NA	""
"655757"	"655757"	""	""	0	NA	NA	1	1	NA	""
"655759"	"655759"	""	""	0	NA	NA	1	1	NA	""
"655762"	"655762"	"4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol"	"Oc1c2c(nn1c3ccc(F)cc3)c4ccccc4c[n+]2Cc5ccccc5"	0	""	""	1	1	375738	""
"655765"	"655765"	"(4Br,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride"	"CCN(CC)CCN1C(=O)CC2[C@@H]3CCc4cc(OC)ccc4C3CC[C@]2(C)C1=O"	0	""	""	1	1	375742	""
"655766"	"655766"	"17-Amino-3-methoxy-17-aza-1,3,5(10)-estratriene-16,17a-d..."	"COc1ccc2C3CC[C@@]4(C)C(CC(=O)N(N)C4=O)[C@@H]3CCc2c1"	0	""	""	1	1	375744	""
"655896"	"655896"	"11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	1	1	375749	""
"655897"	"655897"	"11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccccn5)c23"	0	""	""	1	1	375750	""
"655899"	"655899"	"11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3ccc4C(=O)C=C(C(=O)c4c13)c5ccccc5"	0	""	""	1	1	375752	""
"655900"	"655900"	"2-((2-(Diphenylphosphino)ethyl)(phenyl)phosphino)ethyl phenyl sulfide"	"C(CP(CCP(c1ccccc1)c2ccccc2)c3ccccc3)Sc4ccccc4"	0	""	""	2	2	375753	""
"655901"	"655901"	"ANTINEOPLASTIC-655901"	"CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC"	0	""	""	2	2	375754	""
"655905"	"655905"	"ANTINEOPLASTIC-655905"	"CCCCCCCCCCCC(=O)OC[C@@H](C[As](=O)(O)O)OC(=O)CCCCCCCCCCC"	0	NA	NA	2	1	NA	""
"655906"	"655906"	"ANTINEOPLASTIC-655906"	"CCCCCCCC(=O)OC[C@@H](C[As](=O)(O)O)OC(=O)CCCCCCC"	0	NA	NA	1	1	NA	""
"655909"	"655909"	"1-Methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea"	"CN(C(=S)NNC(=S)N\N=C(/C)\c1ccccn1)c2ccccc2"	0	""	""	2	2	9571796	""
"655911"	"655911"	"2,3-Dimethoxy-6,8-bis(methylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione"	"COC1=C(OC)C(=O)C2=C(C=C(SC)C(=O)C(=C2)SC)C1=O"	0	""	""	1	1	375762	""
"655922"	"655922"	""	"CSC1CC2C(CC1(C)O)C2(C)C"	0	NA	NA	1	1	NA	""
"655928"	"655928"	""	"CC1(O)CC2C(CC1SCc3ccccc3)C2(C)C"	0	NA	NA	1	1	NA	""
"655933"	"655933"	""	"CC(=CCSC1CC2C(CC1(C)O)C2(C)C)C"	0	NA	NA	1	1	NA	""
"655978"	"655978"	"[(3R,13S)-13-Acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate"	"C\C=C(/C)\C(=O)OC1C2[C@H](OC(=O)C)C(OC(=O)C2=C)C(C)C3C=CC(=O)[C@@]13C"	0	""	""	2	2	5459235	""
"656075"	"656075"	"3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione"	"Oc1cccc2C(=O)C(=C(Cl)C(=O)c12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	375827	""
"656076"	"656076"	"2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione"	"Oc1cccc2C(=O)C(=C(C(=O)c12)c3ccc(cc3)[N+](=O)[O-])Cl"	0	""	""	2	1	375828	""
"656080"	"656080"	"Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate"	"COC(=O)C1C(C(=C(C)N2CCCOC12C)C(=O)OC)c3cccc(Cl)c3"	0	""	""	1	1	375832	""
"656082"	"656082"	"(E)-N-Ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide"	"CCNC(=O)\C=C\CCC#Cc1ccc(s1)c2ccc(s2)c3cccs3"	0	""	""	1	1	5467584	""
"656084"	"656084"	"4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione"	"C\N=C/1\SSC(=S)N1C(C)C"	0	""	""	1	1	375836	""
"656105"	"656105"	""	"CC(=O)[O-].[O-][N+](=O)c1ccc2[O-][Mn+3]34[O-]c5ccc(cc5C=[N+]3CC[N+]4=Cc2c1)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"656155"	"656155"	"6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Nc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	375857	""
"656156"	"656156"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[(3-methylamino)..."	"CNc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	375858	"158598584"
"656157"	"656157"	"6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Oc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	375859	""
"656158"	"656158"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-"	"Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	375860	""
"656159"	"656159"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(3-fluorophenyl)..."	"Fc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	4	3	375861	"158598608"
"656160"	"656160"	"6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"Clc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	1	375862	""
"656162"	"656162"	"6-(Pyridin-3-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one"	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccnc4"	0	""	""	2	2	375864	""
"656163"	"656163"	"7W-0843"	"Oc1cc(O)c2C(=O)c3ccccc3Nc2c1"	0	""	""	1	1	5467589	""
"656177"	"656177"	"7-Epi-10-deacetyltaxol"	"CC(=O)O[C@@]12CO[C@@H]1CC(O)[C@]3(C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	""	""	2	2	6712095	""
"656178"	"656178"	"7-Epi-10-deacetylbaccatin III"	"CC(=O)O[C@@]12CO[C@@H]1CC(O)[C@]3(C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(O)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB"	""	2	2	6712096	""
"656189"	"656189"	"2-N-[(4-Chloro-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine"	"CN(C)c1nc(nc(n1)N(C)CN(C)c2ccc(Cl)cc2)N(C)C"	0	""	""	1	1	375874	""
"656190"	"656190"	"N',N'-Dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride"	"CN(C)CCCNc1ccnc2c(cccc12)[N+](=O)[O-]"	0	""	""	1	1	375875	""
"656202"	"656202"	"BREFLATE"	"C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@H](O)\C=C\C(=O)O1)OC(=O)CN(C)C"	0	NA	NA	4	3	NA	"174305658"
"656203"	"656203"	"Discorhabdin B"	"BrC1=C[C@@]23C[C@@H](NC4=C2C5=NCCc6c[nH]c(C4=O)c56)SC3=CC1=O"	0	""	""	2	2	135409044	""
"656204"	"656204"	"Discorhabdin G"	"O=C1C=C[C@@]23C[C@@H](NC4=C2C5=NCCc6c[nH]c(C4=O)c56)SC3=C1"	0	""	""	2	1	135409045	""
"656205"	"656205"	"Discorhabdin H"	"[Cl-].Cn1cnc(SC2=C3C(=O)C=C4S[C@H]5C[C@@]24C6=C(N5)C(=O)c7[nH]cc8CC[N+]3=C6c78)c1CC(N)C(=O)O"	0	""	""	1	1	135499366	""
"656206"	"656206"	"Discorhabdin I"	"Cn1cnc(SC2=CC(=O)C=C3S[C@H]4C[C@@]23C5=C(N4)C(=O)c6[nH]cc7CCN=C5c67)c1CC(N)C(=O)O"	0	""	""	2	2	135409047	""
"656207"	"656207"	"1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-"	"COc1c(Cl)c(Cl)c(OC)c2C(=O)C=CC(=O)c12"	0	""	""	1	1	375894	""
"656208"	"656208"	"STL323102"	"COc1ccc(OC)c2C(=O)C(=C(Cl)C(=O)c12)Cl"	0	""	""	2	2	375895	""
"656209"	"656209"	"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	375896	""
"656210"	"656210"	"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	375898	""
"656211"	"656211"	"2',6'-Dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione"	"COCc1cc2C(=O)C3=C(NCCC34C=C(Br)C(=O)C(=C4)Br)C(=O)c2s1"	0	""	""	2	2	375900	""
"656238"	"656238"	"2-Methyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-d..."	"Cc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	375901	""
"656239"	"656239"	"Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-"	"O=Cc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	375902	"239100028"
"656240"	"656240"	"2-Hydroxymethyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophen..."	"OCc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	375903	"239100039"
"656241"	"656241"	"Acetic acid, (4,8-dioxobenzo[1,2-b:5,4-b']dithiophene- 2..."	"CC(=O)OCc1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	375904	""
"656242"	"656242"	"2-(Chloromethyl)benzo[1,2-b:4,5-b']bisthiophene-4,8-dione"	"ClCc1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	375905	""
"656243"	"656243"	"Benzo[1,2-b:5,4-b']dithiophene-2-carboxylic acid, 4,8-di..."	"OC(=O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	3	2	375906	""
"656244"	"656244"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 3-methyl-"	"Cc1csc2C(=O)c3sccc3C(=O)c12"	0	""	""	2	2	375907	""
"656245"	"656245"	"5,7-Difluoro-2-phenylquinolin-4-ol"	"Fc1cc(F)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	375908	""
"656249"	"656249"	""	"O=C1Nc2ccccc2C(=C1)c3ccccc3"	0	NA	NA	1	1	NA	""
"656250"	"656250"	"5,7-Dichloro-2-phenylquinolin-4-ol"	"Clc1cc(Cl)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	1	1	375913	""
"656253"	"656253"	""	"CSC1=NC(=C(Br)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C"	0	NA	NA	2	1	NA	""
"656254"	"656254"	""	"COc1ccc(cc1)C2=C(C#N)C(=O)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=N2)SC"	0	NA	NA	1	1	NA	""
"656256"	"656256"	""	"CSC1=NC(=C(C#N)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"656260"	"656260"	""	"CCCSC1=NC(=C(C#N)C(=O)N1C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(OC)cc3"	0	NA	NA	1	1	NA	""
"656261"	"656261"	"[4,5-Diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]oxan-3-yl] acetate"	"CCSC1=NC(=C(C#N)C(=O)N1C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c3ccc(OC)cc3"	0	""	""	1	1	375923	""
"656278"	"656278"	""	"CCN1CCC(O)(\C=C\c2ccc(Cl)cc2)C(C1)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"656280"	"656280"	"2-Naphthalenemethanaminium, 1,2,3,4-tetrahydro-N,N,N-tri..."	"[I-].C[N+](C)(C)CC1CCc2ccccc2C1=O"	0	""	""	3	3	375929	"71666518"
"656284"	"656284"	""	"[Cl-].O=C1CCCCC1CN2CCCC2"	0	NA	NA	1	1	NA	""
"656320"	"656320"	"(6-Methoxydioxan-3-yl)methanol"	"COC1CCC(CO)OO1"	0	""	""	1	1	375966	""
"656324"	"656324"	"4-(Dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide"	"CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(=O)N(C)C)[N+](=O)[O-]"	0	""	""	1	1	375967	""
"656337"	"656337"	"2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol"	"OCCOCn1nc(nc1c2cnccn2)c3ccccc3"	0	""	""	1	1	375971	""
"656340"	"656340"	"2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine"	"Cc1cccc(c1)c2nc(c3cnccn3)n(Cc4ccccc4)n2"	0	""	""	1	1	375974	""
"656405"	"656405"	""	"CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)O)C2CC1C5C3C(=O)N(C5=O)c6cccc(c6)N7C(=O)C8C9CC%10C%11(C)CCCC(C)(C%11CCC%10(C=C9C(C)C)C8C7=O)C(=O)O"	0	NA	NA	1	1	NA	""
"656433"	"656433"	"Pyrimidine-5-carboxylic acid, hexahydro-4-oxo- 1,3-diphe..."	"CCOC(=O)C1=C(SCCN2CCCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	376034	""
"656441"	"656441"	"AO-476/40829203"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1O)c3ccccc3)c4ccccc4"	0	""	""	1	1	376042	""
"656442"	"656442"	"4-Chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide"	"CN(C(=S)N1CCN(C)CC1)C(=O)c2ccc(Cl)cc2"	0	""	""	1	1	376043	""
"656443"	"656443"	"N-Methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide"	"CN(C(=S)N1CCN(C)CC1)C(=O)c2cccs2"	0	""	""	1	1	376044	""
"656454"	"656454"	"4-Chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide"	"Clc1ccc(cc1)C(=O)N(C2CCCCC2)C(=S)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	376055	""
"656576"	"656576"	"Midostaurin"	"CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	"PK:PRKCA,STK,FLT3"	"FDA approved"	6	4	24202429	"120685112"
"656586"	"656586"	"1-Adamantyl 2-methyl-2-propanesulfinate"	"CC(C)(C)S(=O)OC12CC3CC(CC(C3)C1)C2"	0	""	""	1	1	376101	""
"656591"	"656591"	"BRD-A17388120-001-07-7"	"O=C1NC2(Oc3ccc4ccccc4c3C=C2)Oc5ccccc15"	0	""	""	1	1	376106	""
"656598"	"656598"	"SF2575"	"CO[C@]1(C)C2CC3[C@@H](CC(=O)c4ccccc4O)C(=C(C(=O)N)C(=O)C3(OC)C(=C2C(=O)c5c(O)c(ccc15)C6C[C@@H](O)[C@H](OC(=O)\C(=C/C)\C)[C@@H](C)O6)O)O"	0	NA	NA	2	2	NA	""
"656599"	"656599"	"6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCNCC3"	0	""	""	2	2	376115	""
"656670"	"656670"	"1-(4-Bromophenyl)-3-(3-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide"	"[O-][N+](=O)c1cccc(c1)C2=NN(C[N+](=N2)c3ccc(Br)cc3)c4ccccc4"	0	""	""	1	1	376153	""
"656671"	"656671"	"1-(4-Methoxyphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide"	"COc1ccc(cc1)[N+]2=NC(=NN(C2)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	376155	""
"656677"	"656677"	"2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate"	"COc1ccc(cc1)[N+]2=NC(=NN(C2)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	24202432	""
"656709"	"656709"	""	"COc1ccc(cc1)[C@@H]2CC(=O)NCCCCNCCCN2"	0	NA	NA	1	1	NA	""
"656712"	"656712"	"4-(10-Methyl-10H-indolo[3,2-b]quinolin-11-yl)amino-2,6-b..."	"CCN(CC)Cc1cc(Nc2c3ccccc3nc4c5ccccc5n(C)c24)cc(CN(CC)CC)c1O"	0	NA	NA	2	1	NA	"98244781"
"656714"	"656714"	"Tubacetine"	"CC(=O)OC(CCC1(C)OC1COc2ccc(CCNC(=O)c3ccccc3)cc2)C(C)(C)OC(=O)C"	0	""	""	1	1	376181	""
"656715"	"656715"	"Tubasenecine"	"CC(=CC(=O)NCCc1ccc(OCC2OC2(C)CCC(OC(=O)C)C(C)(C)OC(=O)C)cc1)C"	0	""	""	2	2	376182	""
"656731"	"656731"	""	"C[C@H](C(O)c1ccccc1)C(=O)N2[C@@H]([C@H](N(C(=O)C(C)[C@@H](O)c3ccccc3)C2=O)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"656739"	"656739"	"N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide"	"CCN(CC)C(=O)CCN1C=C(F)C(=O)NC1=O"	0	""	""	1	1	376202	""
"656741"	"656741"	"3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide"	"CN(CCN(C)C(=O)CCN1C=C(F)C(=O)NC1=O)C(=O)CCN2C=C(F)C(=O)NC2=O"	0	""	""	1	1	376204	""
"656777"	"656777"	""	"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[n+]1ccc(cc1)N(C)C)OCC"	0	NA	NA	1	1	NA	""
"656781"	"656781"	""	"COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc2ccccc2OC"	0	NA	NA	1	1	NA	""
"656835"	"656835"	"4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene"	"Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-]"	0	""	""	1	1	376217	""
"656889"	"656889"	"XK-469"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	"TOP2"	"Clinical trial"	4	1	NA	"157434996"
"656901"	"656901"	"Methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(O)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](OC(=O)\C=C(\c6ccccc6)/C(F)(F)F)[C@@H]24"	0	""	""	1	1	5467619	""
"656902"	"656902"	"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(OC(=O)\C=C(\c6ccccc6)/C(F)(F)F)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](O)[C@@H]24"	0	""	""	1	1	5467620	""
"656903"	"656903"	"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(OC(=O)CC(C)C(F)(F)F)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](O)[C@@H]24"	0	""	""	1	1	376223	""
"656904"	"656904"	"ANTINEOPLASTIC-656904"	"COC(=O)[C@@]12OC[C@@]34[C@@H](CC5C(=C(O)C(=O)C[C@]5(C)C3[C@@H](O)C1O)C)OC(=O)[C@H](OC(=O)CC(C)C(F)(F)F)[C@@H]24"	0	""	""	1	1	376224	""
"656923"	"656923"	"(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one"	"C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1Cc5ncn(c5N2)c6ccc(F)cc6"	0	""	""	1	1	376240	""
"656925"	"656925"	"(2R,13R,17S,18S)-7-(4-Fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol"	"C[C@]12CCC3[C@@H](CCC4Nc5c(C[C@]34C)cnn5c6ccc(F)cc6)C1CC[C@@H]2O"	0	""	""	1	1	376242	""
"656928"	"656928"	"(1R,9S,13R,16S)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3C2CC[C@@]4(C)C3Cc5nn(nc45)c6ccc(F)cc6"	0	""	""	1	1	376245	""
"656929"	"656929"	"(1R,10S,14R,17S)-7-(4-Fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol"	"C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1Cc5cnn(c5N2)c6ccc(F)cc6"	0	""	""	2	2	376246	""
"657002"	"657002"	"STK766740"	"CCOc1ccc(cc1OCC)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	2	2	376288	""
"657004"	"657004"	"4'-Chloroaurone"	"Clc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1"	0	""	""	1	1	5467625	""
"657017"	"657017"	"9-Tert-butyl-4-(4-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	376302	""
"657023"	"657023"	"9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(cc56)[N+](=O)[O-])C3C2=O)C(C)(C)C"	0	""	""	1	1	376308	""
"657025"	"657025"	""	"COc1ccc(cc1)N2C(=O)CC(C2=O)c3c[nH]c4ncccc34"	0	NA	NA	2	1	NA	""
"657026"	"657026"	"11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(Cc5ccccc5)c23"	0	""	""	2	2	376312	""
"657028"	"657028"	"11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione"	"[O-][N+](=O)c1cccc(Cn2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24)c1"	0	""	""	2	1	376314	""
"657030"	"657030"	"9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2cc(Cl)ccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	2	2	376316	""
"657137"	"657137"	"(Z)-1,6,7-Tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene"	"CC(C)(Br)C(Br)CC\C(=C/CBr)\CBr.CC(C)(Br)C(Br)CC\C(=C\CBr)\CBr"	0	""	""	2	2	5467633	""
"657149"	"657149"	"2-acetyl-1,2-dihydroellipticine"	"CC(=O)N1Cc2c(C)c3c4ccccc4[nH]c3c(C)c2C=C1"	0	""	""	1	1	376328	""
"657168"	"657168"	"1-((((2,5-Dioxo-4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)amino)methyl)amino)-4-(3-(trifluoromethyl)phenyl)-2,5-piperazinedione"	"FC(F)(F)c1cccc(c1)N2CC(=O)N(CC2=O)NCNN3CC(=O)N(CC3=O)c4cccc(c4)C(F)(F)F"	0	""	""	1	1	376336	""
"657174"	"657174"	"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione"	"OCC1OC(CC1O)N2C=C(C#CC(=O)c3ccccc3)C(=O)NC2=O"	0	""	""	1	1	376342	""
"657179"	"657179"	"STL374141"	"Cc1ccc(cc1)c2nc3cc(Cl)ccc3[nH]2"	0	""	""	1	1	376347	""
"657187"	"657187"	"2-phenylperimidine"	"N1C(=Nc2cccc3cccc1c23)c4ccccc4"	0	""	""	2	2	376354	""
"657192"	"657192"	"STK688478"	"Clc1ccc(cc1)\N=C/2\N(Cc3ccccc23)c4ccc(Cl)cc4"	0	""	""	1	1	376360	""
"657194"	"657194"	"(E)-N,2-Dipyridin-2-yl-3H-isoindol-1-imine"	"C1N(\C(=N\c2ccccn2)\c3ccccc13)c4ccccn4"	0	""	""	1	1	9571798	""
"657195"	"657195"	"CBMicro_029986"	"CCOC(=O)C1=C(C)NC(=C(C1c2ccc(C)cc2)C(=O)OCC)C"	0	""	""	1	1	376363	""
"657196"	"657196"	"Di-tert-butyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC1=C(C(C(=C(C)N1)C(=O)OC(C)(C)C)c2ccc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C"	0	""	""	1	1	376364	""
"657270"	"657270"	"(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-c..."	"CCOC(=O)[C@@H]1C[C@H]1c2ccc(O)c(O)c2"	0	""	""	1	1	6712121	""
"657271"	"657271"	"(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-car..."	"CCOC(=O)[C@@H]1C[C@@H]1c2ccc(O)c(O)c2"	0	""	""	1	1	6712122	""
"657274"	"657274"	"1,3-Dioxolo[4,5-g]quinolin-8-one, 6-[3-(trifluoromethyl)..."	"FC(F)(F)c1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	376372	""
"657276"	"657276"	"6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one"	"O=C1C=C(Nc2cc3OCOc3cc12)\C=C\c4ccccc4"	0	""	""	1	1	5934142	""
"657277"	"657277"	"6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one"	"CC(=O)Nc1ccc2NC(=CC(=O)c2c1)c3cccc(F)c3"	0	""	""	2	2	376375	""
"657278"	"657278"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-chlorophenyl)-"	"Clc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	3	2	376376	""
"657279"	"657279"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[3-(phenylmethox..."	"O=C1C=C(Nc2cc3OCOc3cc12)c4cccc(OCc5ccccc5)c4"	0	""	""	3	2	376377	""
"657282"	"657282"	""	"CC(CC=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)C3CCC4[C@@H]5C(CC6CC(CC[C@]6(C)C5CC(OC(=O)C)[C@]34C)OC(=O)C)OC(=O)C"	0	NA	NA	1	1	NA	""
"657297"	"657297"	"1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride"	"CCN(CC)CCC(=O)c1ccc(C)cc1"	0	""	""	1	1	376382	""
"657299"	"657299"	"1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride"	"CCN(CC)CCC(=O)c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	376386	""
"657303"	"657303"	"3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide"	"CC[N+]1(C)CCC(O)(C(C1)C(=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	376393	""
"657304"	"657304"	"Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride"	"CCN1CCC(O)(C(C1)C(=O)c2ccc(O)cc2)c3ccc(O)cc3"	0	""	""	1	1	376395	""
"657305"	"657305"	""	"O=C1CCCCCCCCCCC1CN(Cc2ccccc2)Cc3ccccc3"	0	NA	NA	1	1	NA	""
"657306"	"657306"	""	"O=C1CCCCCCCCCCC1CN2CCOCC2"	0	NA	NA	1	1	NA	""
"657321"	"657321"	"Vermiculin"	"CC(=O)CC1CCC(=O)\C=C\C(=O)OC(CC(=O)C)CCC(=O)\C=C\C(=O)O1"	0	NA	NA	2	2	NA	"37244001"
"657323"	"657323"	"7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid"	"CC(=O)CC(CCC(=O)\C=C\C(=O)O)OC(=O)\C=C\C(=O)CC\C=C\C(=O)C"	0	""	""	1	1	5459240	""
"657324"	"657324"	"Narceine imide"	"COc1ccc2\C(=C\c3c(CCN(C)C)cc4OCOc4c3OC)\NC(=O)c2c1OC"	0	""	""	1	1	5459241	""
"657329"	"657329"	"STK001667"	"O=C(Cc1ccccc1)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	376415	""
"657336"	"657336"	"3-Nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide"	"[O-][N+](=O)c1cccc(c1)C(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	376422	""
"657339"	"657339"	"4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide"	"CC1=Nc2ccccc2C(=O)N1NC(=O)c3ccc(CS)cc3"	0	""	""	1	1	376425	""
"657340"	"657340"	"N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide"	"SCc1ccc(cc1)C(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	376426	""
"657345"	"657345"	"2-(3-Chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide"	"Clc1cccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)c1"	0	""	""	1	1	376431	""
"657346"	"657346"	"2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide"	"Clc1ccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)cc1"	0	""	""	2	1	376432	""
"657348"	"657348"	"2-(3-Nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide"	"[O-][N+](=O)c1cccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)c1"	0	""	""	1	1	376434	""
"657349"	"657349"	"2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide"	"[O-][N+](=O)c1ccc(NCC(=O)NN2C(=O)c3ccccc3N=C2c4ccccc4)cc1"	0	""	""	2	2	376435	""
"657363"	"657363"	"3-[(4Z)-4-[(3-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	"Clc1cccc(\C=C\2/N=C(N(N3C(=O)c4ccccc4N=C3c5ccccc5)C2=O)c6ccccc6)c1"	0	""	""	1	1	6296347	""
"657366"	"657366"	"3-[(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one"	"Oc1cccc(\C=C\2/N=C(N(N3C(=O)c4ccccc4N=C3c5ccccc5)C2=O)c6ccccc6)c1"	0	""	""	1	1	5916453	""
"657427"	"657427"	""	"CC(=O)C1C(=O)N(C(=O)C1=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"657430"	"657430"	""	"CN1\C(=N\C(=O)C)\NC(=O)/C/1=C/c2ccc(Cl)cc2Cl"	0	NA	NA	1	1	NA	""
"657437"	"657437"	""	"CC(=O)NNC(=S)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	NA	NA	1	1	NA	""
"657443"	"657443"	""	"CCOC(=O)Cc1csc2S\C(=C\c3cccc(Cl)c3Cl)\C(=O)[n+]12"	0	NA	NA	1	1	NA	""
"657445"	"657445"	"Thiazolo[2,3-b]thiazolium, 2-[(2,4-dichlorophenyl)methyl..."	"[O-][N+](=O)c1cccc(c1)c2csc3S\C(=C\c4ccc(Cl)cc4Cl)\C(=O)[n+]23"	0	NA	NA	2	2	NA	""
"657446"	"657446"	"Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(2-methoxyphe..."	"COc1ccccc1\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O"	0	NA	NA	2	2	NA	""
"657448"	"657448"	"N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)Nc3ccccc3"	0	""	""	1	1	135409056	""
"657449"	"657449"	"NCIMech_000398"	"CC1=CC(=O)\C(=C\NC(=S)N)\C(=O)O1"	0	""	""	1	1	135409057	""
"657455"	"657455"	"(3Z)-6-Methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3cc(C)ccc23)\C(=O)O1"	0	""	""	1	1	3004473	""
"657456"	"657456"	"NCIMech_000748"	"Brc1ccc(cc1)c2csc(N\N=C\3/C(=O)Nc4ccccc34)n2"	0	""	""	1	1	376515	""
"657492"	"657492"	""	"[R]P(=O)(OC(C)C)c1ccccc1.CC(C)OP(=O)(c2ccccc2)c3ccc4OCCOCCOc5ccccc5OCCOCCOc4c3"	0	NA	NA	1	1	NA	""
"657501"	"657501"	"[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1"	"CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4Cc5nc6C[C@@]7(C)C(CC[C@@H]8C7C[C@@H](OC(=O)C)[C@@]9(C)C8C[C@@H]%10OC%11(CCC(C)CO%11)C(C)[C@H]9%10)Cc6nc5C[C@]4(C)C3CC[C@]12C"	0	""	""	1	1	376535	""
"657547"	"657547"	"Benzo[1,2-b:4,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-"	"CC(=O)c1csc2C(=O)c3c(csc3C(=O)c12)C(=O)C"	0	""	""	2	2	376542	""
"657548"	"657548"	"YTSZWYKKYYULHX-UHFFFAOYSA-N"	"CC(OC(=O)C)c1cc2C(=O)c3scc(C(C)OC(=O)C)c3C(=O)c2s1"	0	""	""	1	1	376543	""
"657558"	"657558"	""	"Oc1ccccc1C2[N+]3=Cc4ccccc4[O-][Zr+4]35678([O-]c9ccccc9C=[N+]5C(c%10ccccc%10O)[N+]6=Cc%11ccccc%11[O-]7)[O-]c%12ccccc%12C=[N+]28"	0	NA	NA	1	1	NA	""
"657560"	"657560"	"(Z)-3-bromo-3-iodo-2-phenylpropenal"	"Br\C(=C(\C=O)/c1ccccc1)\I"	0	NA	NA	2	2	NA	""
"657561"	"657561"	"(Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one"	"CC(=O)\C(=C(\Br)/I)\c1ccccc1"	0	NA	NA	2	2	NA	""
"657562"	"657562"	"2-[(Z)-bromoiodomethylidene] cyclohexanone"	"Br\C(=C\1/CCCCC1=O)\I"	0	NA	NA	2	2	NA	""
"657575"	"657575"	"1-Benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)NCc3ccccc3"	0	""	""	1	1	135409068	""
"657580"	"657580"	"(3Z)-6-Methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3ccc(cc23)[N+](=O)[O-])\C(=O)O1"	0	""	""	2	1	3001572	""
"657582"	"657582"	"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	"NS(=O)(=O)c1ccc(NC(=S)N\C=C\2/C(=O)Nc3ccccc3C2=O)cc1"	0	""	""	2	1	135409072	""
"657584"	"657584"	"N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide"	"O=C1Oc2ccccc2C(=O)/C/1=C\NC(=S)c3ccncc3"	0	""	""	1	1	135409073	""
"657585"	"657585"	""	"CCOC(=O)Cc1csc2S\C(=C/c3cccc(OC)c3O)\C(=O)[n+]12"	0	NA	NA	1	1	NA	""
"657587"	"657587"	"STK264905"	"O=C1Nc2ccccc2/C/1=N/Nc3nc(cs3)c4ccccc4"	0	""	""	1	1	376575	""
"657588"	"657588"	"N~1~-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanedithioamide"	"CC1=CC(=O)\C(=C\NC(=S)C(=S)N)\C(=O)O1"	0	""	""	2	1	135409075	""
"657589"	"657589"	"1H-Indol-2(3H)-one,3-[4-(3,4-dichlorophenyl)-2-thiazolyl..."	"Clc1ccc(cc1Cl)c2csc(N\N=C\3/C(=O)Nc4ccccc34)n2"	0	""	""	1	1	376577	""
"657590"	"657590"	"5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione"	"Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1c3ccccc3"	0	""	""	2	1	135409076	""
"657592"	"657592"	"1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea"	"CCCCNC(=S)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	""	""	1	1	135409078	""
"657593"	"657593"	"4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol"	"Oc1ccc(cc1O)c2csc(N\N=C\3/NC\C(=C\c4ccc5OCOc5c4)\S3)n2"	0	""	""	1	1	6418506	""
"657598"	"657598"	"Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(4-nitropheny..."	"[O-][N+](=O)c1ccc(\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O)cc1"	0	""	""	2	2	5351414	""
"657604"	"657604"	"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea"	"NS(=O)(=O)c1ccc(NC(=S)N\C=C\2/C(=O)Oc3ccccc3C2=O)cc1"	0	""	""	1	1	135409083	""
"657608"	"657608"	""	"CC1(C)CC(=O)C(=CNc2nc(cs2)c3cccc(c3)[N+](=O)[O-])C(=O)C1"	0	NA	NA	1	1	NA	""
"657609"	"657609"	"(3Z)-6-Methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\N2C(=S)Nc3ccccc23)\C(=O)O1"	0	""	""	1	1	3004499	""
"657643"	"657643"	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide"	"Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(=O)N"	0	""	""	1	1	376612	""
"657645"	"657645"	"2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide"	"CC1=C(CC(=C(C)N1)C(=O)NCCc2ccccc2)C(=O)NCCc3ccccc3"	0	""	""	1	1	376614	""
"657646"	"657646"	"1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol"	"O\N=C\1/C(=O)C=C(Nc2cccnc2)c3ccccc13"	0	""	""	1	1	376615	""
"657676"	"657676"	"[(Z)-[4-(2,4-Dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea"	"NC(=S)N\N=C\1/C(=O)C=C(Nc2ccc(Cl)cc2Cl)c3ccccc13"	0	""	""	1	1	3000994	""
"657681"	"657681"	"1-(Hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one"	"Cc1ccc(NC2=CC(=O)C(NO)c3ccccc23)cc1"	0	""	""	1	1	376651	""
"657704"	"657704"	""	"Oc1ccccc1\C=C\2/NC(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	2	1	NA	""
"657705"	"657705"	"N-(o-Tolyl)-2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetamide"	"Cc1ccccc1NC(=O)Cc2csc(N\N=C\3/C(=O)Nc4ccccc34)n2"	0	""	""	1	1	376659	""
"657708"	"657708"	"N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide"	"CN1C\C(=C/c2cc(ccc2O)[N+](=O)[O-])\N/C/1=N\C(=O)C"	0	""	""	1	1	5467667	""
"657710"	"657710"	"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea"	"CCCCCCCCCCCCCCCCCCNC(=S)N\C=C\1/C(=O)OC(=CC1=O)C"	0	""	""	1	1	135409093	""
"657711"	"657711"	"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea"	"O=C1Nc2ccccc2C(=O)/C/1=C/NC(=S)NCCc3ccccc3"	0	""	""	1	1	135409094	""
"657714"	"657714"	"N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide"	"O=C1C(=CNC(=S)c2ccccc2)C(=O)c3ccccc13"	0	""	""	2	1	135409096	""
"657715"	"657715"	"(3Z)-6-Methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione"	"CC1=CC(=O)\C(=C\Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-])\C(=O)O1"	0	""	""	1	1	135409097	""
"657716"	"657716"	"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea"	"O=C1Oc2ccccc2C(=O)/C/1=C/NC(=S)NCCc3ccccc3"	0	""	""	2	1	135409098	""
"657719"	"657719"	"Thiazolo[2,3-b]thiazolium, 2-[(1,3-benzodioxol-5-yl)meth..."	"Oc1ccc(cc1O)c2csc3S\C(=C/c4ccc5OCOc5c4)\C(=O)[n+]23"	0	NA	NA	2	2	NA	""
"657720"	"657720"	"Thiazolo[2,3-b]thiazolium, 2-[(4-chlorophenyl)methylene]..."	"[O-][N+](=O)c1cccc(c1)c2csc3S\C(=C/c4ccc(Cl)cc4)\C(=O)[n+]23"	0	NA	NA	2	2	NA	""
"657722"	"657722"	"3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-N-(2,6-dim..."	"Cc1cccc(C)c1NC(=O)C(=O)C(c2ccccc2Cl)S(=O)(=O)Cc3ccccc3Cl"	0	""	""	2	2	376677	""
"657725"	"657725"	"3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide"	"NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc2ccccc2"	0	""	""	2	1	376681	""
"657727"	"657727"	"4-[2-(4-Hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol"	"COc1cc(ccc1O)c2oc(\C=N\c3ccccc3)c(c2c4ccc(O)c(OC)c4)[N+](=O)[O-]"	0	""	""	2	1	3580140	""
"657729"	"657729"	""	"O=C1OC(N/C/1=C\c2ccc3OCOc3c2)c4ccccc4"	0	NA	NA	2	1	NA	""
"657735"	"657735"	"(3E)-3-[Chloro(1-naphthyl)methylene]isobenzofuran-1-one"	"Cl\C(=C/1\OC(=O)c2ccccc12)\c3cccc4ccccc34"	0	""	""	1	1	3004512	""
"657751"	"657751"	"ZX-AT028184"	"Clc1ccc(\C=C\C(=O)c2ccc(Cl)s2)cc1"	0	""	""	1	1	5467680	""
"657766"	"657766"	"1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole"	"Cn1c(cc(c2ccsc2)c1c3cccs3)c4cccs4"	0	""	""	1	1	376720	""
"657767"	"657767"	"1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole"	"Cn1c(cc(c2ccsc2)c1c3ccsc3)c4cccs4"	0	""	""	1	1	376721	""
"657768"	"657768"	"2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene"	"c1csc(c1)c2cc(c3ccsc3)c(s2)c4cccs4"	0	""	""	1	1	376722	""
"657769"	"657769"	"5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene"	"c1csc(c1)c2cc(c3ccsc3)c(s2)c4ccsc4"	0	""	""	1	1	376723	""
"657770"	"657770"	"2,3,5-Tris(2-thienyl)thiophene"	"c1csc(c1)c2cc(c3cccs3)c(s2)c4cccs4"	0	""	""	1	1	376724	""
"657782"	"657782"	""	"[Br-].[Br-].C[n+]1c(cn2ccsc12)c3ccc(\C=N\Nc4ccnc(N\N=C\c5ccc(cc5)c6cn7ccsc7[n+]6C)n4)cc3"	0	NA	NA	1	1	NA	""
"657802"	"657802"	"SODIUM 4-PHENYLBUTYRATE"	"OC(=O)CCCc1ccccc1"	0	NA	NA	1	1	NA	"1716127"
"657803"	"657803"	"Bicyclo[3.3.1]non-3-en-2-ol-7-one"	"OC1C=CC2CC1CC(=O)C2"	0	""	""	1	1	376749	""
"657807"	"657807"	"(1S)-5-Oxo-borneol"	"CC1(C)C2CC(O)C1(C)CC2=O"	0	""	""	1	1	189214	""
"657809"	"657809"	"N-Methyl-6-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2C=CC(=O)C1CC2C#N"	0	NA	NA	1	1	NA	""
"657810"	"657810"	"N-Methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2CC(C#N)C1C(=O)C=C2"	0	NA	NA	1	1	NA	""
"657811"	"657811"	"N-Methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one"	"CN1C2CC(C#N)C1C(=O)C=C2"	0	NA	NA	1	1	NA	""
"657821"	"657821"	"(1R)-Camphoric anhydride"	"CC1(C)C2CCC1(C)C(=O)OC2=O"	0	NA	NA	1	1	NA	""
"657822"	"657822"	"(1R)-3,3-Dibromocamphor"	"CC1(C)C2CCC1(C)C(=O)C2(Br)Br"	0	""	""	2	2	376765	""
"657827"	"657827"	"(1R)-5-endo-Bromo-6-endo-benzoyloxycamphor"	"CC1(C)C2CC(=O)C1(C)C(OCc3ccccc3)C2Br"	0	NA	NA	1	1	NA	""
"657829"	"657829"	"(1R)-(-)-3-Nitromethine-6-endo-acetoxycamphor"	"CC(=O)OC1CC2\C(=C\[N+](=O)[O-])\C(=O)C1(C)C2(C)C"	0	""	""	2	2	3004516	""
"657833"	"657833"	"3-(Hydroxymethoxymethyl)-3-butene-2-one"	"CC(=O)C(=C)COCO"	0	""	""	2	2	376773	""
"657834"	"657834"	"3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one"	"CC(=O)C(=C)CO[Si](C)(C)C(C)(C)C"	0	""	""	2	2	376774	""
"657838"	"657838"	"3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one"	"CC1(C)C2CCC1C(=O)C(C2)C=O"	0	""	""	1	1	376778	""
"657843"	"657843"	"3-Acetoxyquinuclidine"	"CC(=O)OC1CN2CCC1CC2"	0	NA	NA	1	1	NA	""
"657871"	"657871"	"(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one"	"COc1ccc(cc1)C(=O)\C=C\c2ccc(OCCSCCCCCCCCCCSCCOc3ccc(\C=C\C(=O)c4ccc(OC)cc4)cc3)cc2"	0	""	""	1	1	5467689	""
"657876"	"657876"	"(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile"	"Clc1ccc(cc1)C(=O)\C=C\c2ccc(OCC#N)cc2"	0	""	""	1	1	5467693	""
"657923"	"657923"	"Acnistin F"	"C[C@]12CCC3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)C1CC[C@@]2(O)C6CC7CC6(C)C(C)(O)C(=O)O7"	0	NA	NA	2	2	NA	""
"657924"	"657924"	"N-[N-Benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide"	"ClC(Cl)(Cl)\S(=N/C(=O)c1ccccc1)\NC(=O)c2ccccc2"	0	""	""	2	2	376807	""
"657930"	"657930"	""	"CCOC(=O)C(Cl)(Cl)\S(=N/S(=O)(=O)c1ccccc1)\NC(=O)c2ccccc2"	0	NA	NA	1	1	NA	""
"657931"	"657931"	"N-[N-Acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide"	"CC(=O)\N=S(\NC(=O)c1ccc(C)cc1)/C(Cl)(Cl)Cl"	0	""	""	1	1	376814	""
"657957"	"657957"	"7-Cheto-deoxycholic acid"	"CC(CCC(=O)O)[C@H]1CCC2[C@H]3C(CC(O)[C@]12C)[C@@]4(C)CCC(O)C[C@H]4CC3=O"	0	NA	NA	1	1	NA	""
"657971"	"657971"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(4-chlorobenzo..."	"Cc1nn(C(=O)c2ccc(Cl)cc2)c3NC(=N)SC(c4ccccc4[N+](=O)[O-])c13"	0	""	""	1	1	376852	""
"657973"	"657973"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(4-chlorobenzo..."	"COc1cc(ccc1O)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	376854	""
"657989"	"657989"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2- hydroxyben..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccccc4)c13"	0	""	""	1	1	376869	""
"657990"	"657990"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccccc4O)c13"	0	""	""	1	1	376870	""
"657991"	"657991"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"COc1ccc(cc1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	1	1	376871	""
"657992"	"657992"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2- hydroxyben..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(cc4)[N+](=O)[O-])c13"	0	""	""	2	1	376872	""
"657993"	"657993"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(O)cc4)c13"	0	""	""	2	2	376873	""
"657994"	"657994"	"4-H-Pyrazolo[3,4][1,3]thiazin-6-amine, 1-(2-hydroxybenzo..."	"COc1cccc(c1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	2	1	376874	""
"657995"	"657995"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"COc1cc(ccc1O)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	2	1	376875	""
"657996"	"657996"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4-dihydroxy..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc(O)cc4O)c13"	0	""	""	1	1	376876	""
"657999"	"657999"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1ccc(cc1)C2SC(=N)Nc3c2c(C)nn3C(=O)c4ccccc4O"	0	""	""	1	1	376879	""
"658001"	"658001"	"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 1-(2-hydroxybenz..."	"Cc1nn(C(=O)c2ccccc2O)c3NC(=N)SC(c4ccc5ccccc5c4O)c13"	0	""	""	1	1	376881	""
"658002"	"658002"	"3-[(2S,3Ar,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one"	"CC1(C)CCC[C@@]2(C)C1CC[C@@]3(CO)O[C@@H](CC23)C4=CC(=O)OC4O"	0	""	""	2	2	11970052	""
"658003"	"658003"	"14-Benzoylperegrine"	"CCN1C[C@]2(C)CCC(OC)C34C5C[C@@H]6[C@H](C[C@@](OC)(C5C6OCc7ccccc7)C(C(OC(=O)C)[C@H]23)[C@H]14)OC"	0	NA	NA	1	1	NA	""
"658009"	"658009"	"4-Chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline"	"CN(\N=C\c1cccs1)c2ccc(Cl)cc2[N+](=O)[O-]"	0	""	""	1	1	9555937	""
"658079"	"658079"	"[1-(4-Methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)CN(C1)c2ccc(OC)cc2"	0	""	""	1	1	376893	""
"658080"	"658080"	"[5-Methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)C(C)N(C1)c2ccccc2"	0	""	""	1	1	376894	""
"658081"	"658081"	"[1-(4-Methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate"	"CNC(=O)OCC1=C(COC(=O)NC)C(C)N(C1)c2ccc(OC)cc2"	0	""	""	1	1	376895	""
"658082"	"658082"	"Pyridinium, 1-[(1-oxobutoxy)methyl]-3-[6,7-dihydro- 1,2-..."	"CCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	2	376896	""
"658083"	"658083"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	"CCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	24202441	""
"658084"	"658084"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide"	"CCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	2	376898	""
"658085"	"658085"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	"CCCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	376900	""
"658086"	"658086"	"Pyridinium, 1-[(1-oxooctyloxy)methyl]-3-[6,7-dihydro- 1,..."	"CCCCCCCC(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	376902	""
"658087"	"658087"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide"	"CCC(CC)C(=O)OC[n+]1cccc(c1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	376904	""
"658088"	"658088"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)C(C)C)c2)n3CCCc13"	0	""	""	2	1	376906	""
"658093"	"658093"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)C3CC3)c2)n4CCCc14"	0	""	""	1	1	376916	""
"658094"	"658094"	"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2ccc[n+](COC(=O)Cc3ccccc3)c2)n4CCCc14"	0	""	""	1	1	376918	""
"658098"	"658098"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(c2cc[n+](COC(=O)C(C)C)cc2)n3CCCc13"	0	""	""	2	1	376926	""
"658100"	"658100"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide"	"CC(C)CC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	376930	""
"658103"	"658103"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide"	"CCCCCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	376936	""
"658104"	"658104"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide"	"CCCCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	24202442	""
"658106"	"658106"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide"	"CCCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	2	1	24202443	""
"658107"	"658107"	"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide"	"CCCC(=O)OC[n+]1ccc(cc1)c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3CCCn23"	0	""	""	1	1	376940	""
"658114"	"658114"	""	"COCOC1CC#CC(C)C(=O)CCCC\C=C\1"	0	NA	NA	2	1	NA	""
"658140"	"658140"	"2,4,7-Trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine"	"[O-][N+](=O)c1ccc2c(c1)\C(=N\N=C/3\c4cc(ccc4c5c3cc(cc5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])\c6cc(cc(c26)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	5876263	""
"658141"	"658141"	"6-Chloro-5,8-dihydroxy-7-[4-(pyridin-2-yl)piperazin-1-yl]naphthalene-1,4-dione"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CC3)c4ccccn4"	0	""	""	2	2	376946	""
"658142"	"658142"	"2-(1-(4-(2-Pyridyl)piperazino))naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)N3CCN(CC3)c4ccccn4"	0	""	""	4	2	376947	""
"658143"	"658143"	"2-(1-(4-(2-(2-Hydroxyethoxy)ethyl)piperazino))naphthazarin"	"OCCOCCN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	376948	""
"658144"	"658144"	"2-(1-Piperazino)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)N3CCNCC3"	0	""	""	3	3	376949	""
"658145"	"658145"	"2-(2-(Dimethylamino)ethylamino)naphthazarin"	"CN(C)CCNC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	376950	""
"658147"	"658147"	"5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole"	"CC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C"	0	""	""	1	1	376952	""
"658155"	"658155"	"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate"	"CCOC(=O)C1=CN(CC)c2ccc3ccsc3c2C1=O"	0	""	""	1	1	376955	""
"658161"	"658161"	""	"OC1CC2OC1COC3=NC(=O)C(=CN23)\C=C/Br"	0	NA	NA	1	1	NA	""
"658163"	"658163"	"5-[[2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine"	"COc1ccc(cc1)c2nc(Nc3ccccc3)sc2Cc4sc(Nc5ccccc5)nc4c6ccc(OC)cc6"	0	""	""	1	1	376963	""
"658165"	"658165"	"5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran"	"Oc1ccc(Br)cc1\C=N\c2c(NC3CCCCC3)oc4ccc(Br)cc24"	0	""	""	1	1	376965	""
"658167"	"658167"	"3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide"	"CC12CP(=O)(CC1c3ccccc3C2c4ccccc4)c5ccccc5"	0	""	""	1	1	376967	""
"658174"	"658174"	"[3,3-Bis(4-methylphenyl)-2-benzothiophen-1(3H)-ylidene]propanedinitrile"	"Cc1ccc(cc1)C2(SC(=C(C#N)C#N)c3ccccc23)c4ccc(C)cc4"	0	""	""	1	1	376974	""
"658175"	"658175"	"(4Z)-4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one"	"CC1=NN(C(=O)/C/1=C/2\SC(c3ccccc3)(c4ccccc4)c5ccccc25)c6ccccc6"	0	""	""	1	1	3004519	""
"658179"	"658179"	"Maybridge1_000696"	"[O-][N+](=O)c1cc(Cl)ccc1Sc2ccccc2"	0	""	""	1	1	376977	""
"658201"	"658201"	"3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one"	"COc1ccc2c(OC(=O)c3c2[nH]c4cc(OC)ccc34)c1"	0	""	""	1	1	376980	""
"658204"	"658204"	"5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one"	"CCN1C(=O)c2c([nH]c3cc(OC)ccc23)c4ccc(OC)cc14"	0	""	""	1	1	376983	""
"658205"	"658205"	"5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one"	"O=C1N2CCCc3cccc(c23)c4[nH]c5ccccc5c14"	0	""	""	1	1	376984	""
"658207"	"658207"	"3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate"	"CN1C(=O)c2c(oc3cc(OC(=O)C)ccc23)c4ccc(OC(=O)C)cc14"	0	""	""	1	1	376986	""
"658208"	"658208"	"YLUDELKUKHQCMC-UHFFFAOYSA-"	"CCN1C(=O)c2c(oc3cc(O)ccc23)c4ccc(O)cc14"	0	""	""	1	1	5465650	""
"658209"	"658209"	"VGNDNKIDFQSNDT-UHFFFAOYSA-"	"CCN1C(=O)c2c(oc3ccc(OC(=O)C)cc23)c4ccc(OC(=O)C)cc14"	0	""	""	1	1	376988	""
"658211"	"658211"	"[1]Benzofuro[3,2-c]quinolin-6-ol"	"O=C1Nc2ccccc2c3oc4ccccc4c13"	0	""	""	1	1	376990	""
"658213"	"658213"	"4-Azido-1-methyl-3-phenyl-quinolin-2-one"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)c3ccccc3"	0	""	""	1	1	376992	""
"658215"	"658215"	"1H,5H-Benzo[ij]quinolizine-5-one, 7-azido-2,3-dihydro- 6..."	"[O-][N+](=O)C1=C(N=[N+]=[N-])c2cccc3CCCN(C1=O)c23"	0	""	""	2	2	376996	""
"658216"	"658216"	"3-Azido-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione"	"[N-]=[N+]=NC1(C(=O)c2cccc3c4ccccc4n(C1=O)c23)c5ccccc5"	0	""	""	1	1	376998	""
"658227"	"658227"	"2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine"	"Brc1ccc(NC2CCON2C(=O)c3ccccc3)cc1"	0	""	""	1	1	377009	""
"658228"	"658228"	"2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine"	"CC1CC(Nc2ccc(Br)cc2)N(O1)C(=O)c3ccc(Br)cc3"	0	""	""	1	1	377010	""
"658229"	"658229"	"1-{3-[(4-Bromophenyl)amino]-5-methyl-1,2-oxazolidin-2-yl}ethanone"	"CC1CC(Nc2ccc(Br)cc2)N(O1)C(=O)C"	0	""	""	1	1	377011	""
"658247"	"658247"	"Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-2,6-dimethyl..."	"CC1=C(CC(=C(C)N1)C(=O)NNC(=O)c2ccccc2O)C(=O)NNC(=O)c3ccccc3O"	0	""	""	2	2	377030	""
"658255"	"658255"	""	"CCC\N=C(\NC(=O)c1ccc(Cl)cc1)/SC"	0	NA	NA	1	1	NA	""
"658257"	"658257"	"naphthalene-1,2-dione, 4-[(4-bromophenyl)amino]-, 1-oxime"	"O\N=C\1/C(=O)C=C(Nc2ccc(Br)cc2)c3ccccc13"	0	""	""	2	2	377041	""
"658259"	"658259"	"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide"	"CC(C)c1cccc(C)c1NC(=O)C(=O)CC(=O)c2sc(Nc3ccccc3Cl)nc2C"	0	""	""	1	1	377043	""
"658272"	"658272"	"2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione"	"CCOc1ccccc1c2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	1	1	377057	""
"658274"	"658274"	"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2,5-dichlorophenyl..."	"Clc1ccc(Cl)c(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)c1"	0	""	""	2	2	377059	""
"658275"	"658275"	"2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione"	"CCOc1ccc(Nc2nc3C(=O)c4ccccc4C(=O)c3s2)cc1"	0	""	""	1	1	377060	""
"658276"	"658276"	"2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione"	"FC(F)(F)c1ccccc1Nc2nc3C(=O)c4ccccc4C(=O)c3s2"	0	""	""	1	1	377061	""
"658280"	"658280"	""	"Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc3ccccc3"	0	NA	NA	1	1	NA	""
"658289"	"658289"	""	"C\C(=C\c1ccccc1)\C=C\2/NC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	2	1	NA	""
"658290"	"658290"	"5-(3-nitrophenyl)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-..."	"COc1cc(\C=C\2/Sc3scc(c4cccc(c4)[N+](=O)[O-])[n+]3C2=O)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"658291"	"658291"	"Thiazolo[2,3-b]thiazolium, 2-[(2-chlorophenyl)methylene]..."	"CCOC(=O)c1sc2S\C(=C/c3ccccc3Cl)\C(=O)[n+]2c1C"	0	NA	NA	2	2	NA	""
"658292"	"658292"	""	"COc1ccccc1\C=C\2/S\C(=N\Nc3nc(C)c(s3)C(=O)C)\NC2=O"	0	NA	NA	1	1	NA	""
"658296"	"658296"	""	"COc1ccccc1\C=C\2/Sc3scc(c4ccc(O)c(O)c4)[n+]3C2=O"	0	NA	NA	1	1	NA	""
"658300"	"658300"	"(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide"	"CC(=O)\C(=C\NC(=S)NCC=C)\C(=O)Nc1ccccc1C"	0	""	""	1	1	135442827	""
"658304"	"658304"	"Methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate"	"CCOP(=O)(OCC)\C(=C\NC(=S)c1ccncc1)\C(=O)OC"	0	""	""	1	1	3000995	""
"658310"	"658310"	"2-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide"	"Cc1ccc2N(C=C(C(=O)N)C(=O)N)C(=S)Nc2c1"	0	""	""	1	1	3004537	""
"658316"	"658316"	"2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide"	"CC(=O)\C(=C\NC(=S)c1cccnc1)\C(=O)Nc2ccccc2C"	0	""	""	2	1	135442828	""
"658319"	"658319"	"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide"	"CC(=O)\C(=C\N1C(=S)Nc2ccccc12)\C(=O)Nc3ccccc3C"	0	""	""	1	1	3004544	""
"658327"	"658327"	"2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2)C(=O)N"	0	""	""	2	2	3004551	""
"658334"	"658334"	"2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)N"	0	""	""	2	1	3004556	""
"658343"	"658343"	""	"O=C1Oc2ccccc2C(=O)/C/1=C\Nc3nc(cs3)c4ccccc4"	0	NA	NA	1	1	NA	""
"658352"	"658352"	"Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate"	"CCOC(=O)C(=O)\C(=C\N1C(=O)CC(=O)NC1=S)\C(=O)OCC"	0	""	""	2	1	3004567	""
"658355"	"658355"	"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol"	"COc1ccc2Nc3c4C(=NCCN(CCO)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	2	1	377153	""
"658356"	"658356"	"N,N-Diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine"	"CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc4c2c1ccc4[N+](=O)[O-]"	0	""	""	1	1	377154	""
"658359"	"658359"	"2-(4-Methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)-N,N-dimethylethanamine"	"COc1ccc2c(c1)c3=NCCN(CCN(C)C)c4ccc5ncn2c5c34"	0	""	""	2	2	377157	""
"658360"	"658360"	"N,N-Diethyl-2-(4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)ethanamine"	"CCN(CC)CCN1CCN=c2c3cc(OC)ccc3n4cnc5ccc1c2c45"	0	""	""	2	2	377158	""
"658361"	"658361"	"1-N,9-N-Bis[2-(dimethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"COc1ccc2Nc3c(\C(=N\CCN(C)C)\c2c1)c(NCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	1	1	377159	""
"658362"	"658362"	"1-N,9-N-Bis[2-(diethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"CCN(CC)CCNc1ccc(c2Nc3ccc(OC)cc3\C(=N/CCN(CC)CC)\c12)[N+](=O)[O-]"	0	""	""	2	2	377160	""
"658363"	"658363"	"1-N,9-N-Bis[3-(dimethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"COc1ccc2Nc3c(\C(=N\CCCN(C)C)\c2c1)c(NCCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	1	1	377161	""
"658364"	"658364"	"1-N,9-N-Bis[3-(diethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine"	"CCN(CC)CCCNc1ccc(c2Nc3ccc(OC)cc3\C(=N/CCCN(CC)CC)\c12)[N+](=O)[O-]"	0	""	""	1	1	377162	""
"658365"	"658365"	"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"COc1ccc2Nc3c(C(=N)c2c1)c(NCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	2	1	377163	""
"658366"	"658366"	"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"CCN(CC)CCNc1ccc(c2Nc3ccc(OC)cc3C(=N)c12)[N+](=O)[O-]"	0	""	""	2	2	377164	""
"658367"	"658367"	"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"COc1ccc2Nc3c(C(=N)c2c1)c(NCCCN(C)C)ccc3[N+](=O)[O-]"	0	""	""	2	1	377165	""
"658368"	"658368"	"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine"	"CCN(CC)CCCNc1ccc(c2Nc3ccc(OC)cc3C(=N)c12)[N+](=O)[O-]"	0	""	""	2	1	377166	""
"658369"	"658369"	"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CN(C)CCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	377167	""
"658370"	"658370"	"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CCN(CC)CCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	377168	""
"658371"	"658371"	"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CN(C)CCCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	377169	""
"658372"	"658372"	"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine"	"CCN(CC)CCCNc1ccc(c2Nc3ccccc3C(=N)c12)[N+](=O)[O-]"	0	""	""	1	1	377170	""
"658373"	"658373"	"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine"	"COc1ccc2Nc3c4C(=NCCN(CCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	1	1	377171	""
"658387"	"658387"	"6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro- 2,..."	"Cc1nc2c(O)c3C4CCC(C=C4)c3c(O)c2nc1C"	0	""	""	3	3	135409115	""
"658388"	"658388"	"1H-Pyrido[3,4-b]indol-1-one, 2-[4-(dimethylamino)butyl]-..."	"CN(C)CCCCN1CCc2c(C1=O)n(C)c3ccccc23"	0	NA	NA	3	1	NA	"184691530"
"658396"	"658396"	"N-(3-Aziridinylpropyl)-1,4-diaminobutane"	"NCCCCNCCCN1CC1"	0	""	""	2	2	160394	""
"658397"	"658397"	"N-(4-Aziridinylbutyl)-1,3-diaminopropane"	"NCCCNCCCCN1CC1"	0	""	""	2	2	160395	""
"658398"	"658398"	"Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate"	"CCOC(=O)CC1(O)C=CC(=O)C=C1"	0	NA	NA	2	2	NA	""
"658409"	"658409"	"11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole"	"Fc1nc(nc(n1)c2c3ccccc3c4sc5ccccc5n24)N6CCOCCOCCOCCOCC6"	0	""	""	1	1	377183	""
"658416"	"658416"	"(2,4,6-Trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate"	"[O-][N+](=O)c1cc(c(O\C(=N/CC(=O)N2CCNCC2)\CN(c3ccccc3)c4ccccc4)c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	377189	""
"658417"	"658417"	"(2,4,6-Trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate"	"Clc1cc(Cl)c(O\C(=N/CC(=O)n2cnc3ccccc23)\CN(c4ccccc4)c5ccccc5)c(Cl)c1"	0	""	""	1	1	377190	""
"658418"	"658418"	"(2,4,6-Trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate"	"Clc1cc(Cl)c(O\C(=N/CC(=O)N2c3ccccc3Sc4ccccc24)\CN(c5ccccc5)c6ccccc6)c(Cl)c1"	0	""	""	1	1	377191	""
"658420"	"658420"	"(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate"	"COCC(=O)OC1CCn2c1nc3C(=N)C(=C(C)C(=O)c23)NC(=O)C"	0	""	""	2	2	377193	""
"658421"	"658421"	"syn/anti-6-Acetamido-5-imino-7methyl-2,3-dihydro-1H-pyrr..."	"CC(=O)NC1=C(C)C(=O)c2c(nc3C(CCn23)OC(=O)c4ccccc4)C1=N"	0	""	""	2	2	377194	"160595324"
"658425"	"658425"	"1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine"	"COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1"	0	""	""	1	1	377198	""
"658441"	"658441"	"2-Amino-5,8-dihydroxy-1,4-naphthoquinone"	"NC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	377209	""
"658443"	"658443"	"2-Chloro-3-amino-5,8-dihydoxy-1,4-naphthoquinone"	"NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	377211	""
"658444"	"658444"	"2-(1-(4-(N-iPropylacetamido)piperazine))-5,8-dihydroxy- ..."	"CC(C)NC(=O)CN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	438682	""
"658445"	"658445"	"2-(1-(4-(N-iPropylacetamido)piperazine))-3-chloro- 5,8-d..."	"CC(C)NC(=O)CN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	438683	""
"658450"	"658450"	"2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone"	"CC(=O)NC1=CC(=O)c2cc(C)cc(O)c2C1=O"	0	""	""	3	2	377214	""
"658453"	"658453"	"3,5-Dimethoxy-beta-methyl-beta-nitrostyrene"	"COc1cc(OC)cc(\C=C(/C)\[N+](=O)[O-])c1"	0	NA	NA	2	2	NA	""
"658455"	"658455"	"(S,S)(-)3,5-Dimethoxy N-(.alpha.-Phenethyl)phenyl isopro..."	"COc1cc(CC(C)N[C@@H](C)c2ccccc2)cc(OC)c1"	0	NA	NA	1	1	NA	""
"658467"	"658467"	"2,4-Dioxo(1H,3H)pyrimido dimethyltetrathiafulvalene,tetr..."	"CC1=C(C)SC(=C2SC3=C(S2)C(=O)NC(=O)N3)S1"	0	NA	NA	1	1	NA	""
"658469"	"658469"	"1,3-dimethyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiaf..."	"CN1C(=O)N(C)C(=O)C2=C1SC(=C3SC(=C(C)S3)C)S2"	0	""	""	1	1	377230	""
"658482"	"658482"	"Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate"	"CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC"	0	""	""	2	1	3004572	""
"658484"	"658484"	"N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide"	"S=C(NC=C(C#N)C#N)c1ccncc1"	0	""	""	1	1	3004574	""
"658485"	"658485"	"N-[(4Z)-4-[(2,4-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2ccc(Cl)cc2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	9574807	""
"658486"	"658486"	"Methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate"	"CCOP(=O)(OCC)\C(=C\N1C(=S)Nc2ccccc12)\C(=O)OC"	0	""	""	2	1	3004575	""
"658487"	"658487"	"2-((Ethanethioylamino)methylene)malonamide"	"CC(=S)NC=C(C(=O)N)C(=O)N"	0	""	""	1	1	3004576	""
"658489"	"658489"	""	"COc1ccccc1\C=C\2/SC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O"	0	NA	NA	1	1	NA	""
"658490"	"658490"	"N-[(4Z)-4-[(2,3-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2cccc(Cl)c2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	9574808	""
"658492"	"658492"	"N-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"COc1ccc(\C=C\2/N(C)\C(=N/C(=O)C)\N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O)cc1OC"	0	""	""	2	1	9574810	""
"658493"	"658493"	""	"CC(=O)\N=C\1/N\C(=C/c2ccc(Cl)cc2)\C(=O)N1\C=C\3/C(=O)Oc4ccccc4C3=O"	0	NA	NA	1	1	NA	""
"658494"	"658494"	"N-[(4Z)-4-[(2-Chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide"	"CN1\C(=C/c2ccccc2Cl)\C(=O)N(\C=C\3/C(=O)Oc4ccccc4C3=O)/C/1=N/C(=O)C"	0	""	""	1	1	9574811	""
"658496"	"658496"	""	"O=C1Oc2ccccc2C(=O)/C/1=C/N3C(=S)S\C(=C/c4ccc5OCOc5c4)\C3=O"	0	NA	NA	2	1	NA	""
"658497"	"658497"	""	"[O-][N+](=O)c1ccc(\C=C\2/SC(=S)N(\C=C\3/C(=O)Oc4ccccc4C3=O)C2=O)cc1"	0	NA	NA	1	1	NA	""
"658498"	"658498"	"2,2-Dicyanovinylthiourea"	"NC(=S)NC=C(C#N)C#N"	0	""	""	1	1	3004581	""
"658500"	"658500"	"2-[(Phenylcarbamothioylamino)methylene]propanediamide"	"NC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)N"	0	""	""	1	1	3004583	""
"658502"	"658502"	"Diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate"	"CCOC(=O)C(=O)\C(=C\NC(=S)c1ccncc1)\C(=O)OCC"	0	""	""	2	1	135409119	""
"658504"	"658504"	"2-[(Allylcarbamothioylamino)methylene]propanediamide"	"NC(=O)C(=CNC(=S)NCC=C)C(=O)N"	0	""	""	1	1	3004587	""
"658506"	"658506"	""	"NC(=O)\C(=C/NC(=S)NCc1ccccc1)\C#N"	0	NA	NA	2	1	NA	""
"658510"	"658510"	""	"CCOC(=O)\C(=C/NC(=S)Nc1ccc(Cl)c(Cl)c1)\C(=O)c2ccccc2"	0	NA	NA	1	1	NA	""
"658511"	"658511"	""	"CCOC(=O)C(=O)\C(=C\NC(=S)Nc1ccccc1Cl)\C(=O)OCC"	0	NA	NA	1	1	NA	""
"658512"	"658512"	"(E)-2-Cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide"	"NC(=O)\C(=C\N1C=CC(=O)NC1=S)\C#N"	0	""	""	1	1	3004595	""
"658514"	"658514"	"GAB-GELDANAMYCIN"	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1OC(=O)CCCN)\C)\C)C2=O"	0	""	""	5	5	5467747	""
"658524"	"658524"	"2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile"	"CC1=C(CCCl)C(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	377271	""
"658525"	"658525"	"AE-406/41057053"	"COCCC1=C(C)C(=C2N(C)c3ccccc3N2C1=O)C#N"	0	""	""	1	1	377272	""
"658526"	"658526"	"1-Azido-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1c(CCCl)c(N=[N+]=[N-])n2c3ccccc3nc2c1C#N"	0	""	""	2	2	377273	""
"658527"	"658527"	"2-(2-Chloroethyl)-3-methyl-1-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1c(CCCl)c(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)n5c6ccccc6nc5c1C#N"	0	""	""	1	1	377274	""
"658702"	"658702"	"2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-4-methyl-1-propan-2-ylidenecyclohexane;1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-yl]-4-methylcyclohexene"	"CC1CCC(=CC1)C(C)(C)OC\C=C(/C)\CCC=C(C)C.CC2CCC(=C(C)C)C(C2)OC\C=C(/C)\CCC=C(C)C"	0	""	""	1	1	5467750	""
"658717"	"658717"	"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione"	"SC1=NNC2(C(=N1)S)c3ccccc3c4ccccc24"	0	""	""	1	1	3001581	""
"658725"	"658725"	""	"O=C1N=C(NNC12c3ccccc3c4ccccc24)SC(=C(SC5=NC(=O)C6(NN5)c7ccccc7c8ccccc68)SC9=NC(=O)C%10(NN9)c%11ccccc%11c%12ccccc%10%12)SC%13=NC(=O)C%14(NN%13)c%15ccccc%15c%16ccccc%14%16"	0	NA	NA	1	1	NA	""
"658777"	"658777"	"[4,5-Diacetoxy-6-(2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)tetrahydropyran-3-yl] acetate"	"CSC1=NC(=O)CCN1C2OCC(OC(=O)C)C(OC(=O)C)C2OC(=O)C"	0	""	""	2	1	377340	""
"658787"	"658787"	"thymidine, 3'-azido-3'-deoxy-5'-oxo-"	"CC1=CN(C2CC(N=[N+]=[N-])C(O2)C(=O)O)C(=O)NC1=O"	0	""	""	1	1	377346	""
"658791"	"658791"	""	"COc1ccc(CCNC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1OC"	0	NA	NA	1	1	NA	""
"658798"	"658798"	""	"CCN1\C(=N/Nc2nc(cs2)c3ccc(O)c(O)c3)\S\C(=C/Nc4ccccc4)\C1=O"	0	NA	NA	1	1	NA	""
"658799"	"658799"	""	"CCOC(=O)Cc1csc(N\C=C/2\C(=O)Oc3ccccc3C2=O)n1"	0	NA	NA	1	1	NA	""
"658828"	"658828"	"[(2R,4R,6S,10S,11S)-2,8-Diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate"	"CC(=O)O[C@H]1CC2CC3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)CC(OC(=O)C)C4(C)[C@H]13)C(=O)C2=C"	0	""	""	2	2	377385	""
"658829"	"658829"	"Weisiensin A"	"CC(=O)O[C@H]1CC2CC3([C@@H](OC(=O)C)C(O)[C@@H]4C(C)(C)[C@@H](O)CC(OC(=O)C)C4(C)C13)C(=O)C2=C"	0	""	""	2	2	377386	""
"658830"	"658830"	""	"Cn1c(N)nc(c2ccc(Cl)cc2)c1SSc3c(nc(N)n3C)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"658831"	"658831"	"[(1S,4S,7R,10S,12R)-4-Acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.0"	"CCCCCC(=O)N[C@H](C(O)C(=O)OC1C[C@@]2(O)C(OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5CC(OC6OCC(O)C(O)C6O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C)c7ccccc7"	0	"TUBB"	""	2	2	6712194	""
"658832"	"658832"	"N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide"	"CN(C)CCNC(=O)c1cccc2nc3C(=O)c4ccccc4c3nc12"	0	""	""	2	2	377390	""
"658835"	"658835"	"4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide"	"C1CN=C(N\N=C\2/c3ccccc3c4nc5ccccc5nc24)N1"	0	""	""	1	1	438695	""
"658837"	"658837"	"6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one"	"CC(=O)Nc1ccc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	1	1	377394	""
"658838"	"658838"	"1,3-Dioxolo[4,5-g]quinolin-8-one, 6-(3-ethoxyphenyl)- 5,..."	"CCOc1cccc(c1)C2=CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	377395	""
"658839"	"658839"	"6-Amino-2-(3-methoxyphenyl)quinolin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3cc(N)ccc3N2"	0	""	""	1	1	377396	""
"658840"	"658840"	"6-Amino-2-(3-chlorophenyl)quinolin-4-ol"	"Nc1ccc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	1	1	377397	""
"658843"	"658843"	"5SH-2Ph-Quinol4one"	"Sc1cccc2NC(=CC(=O)c12)c3ccccc3"	0	""	""	1	1	377400	""
"658846"	"658846"	"2-(Chloromethyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(CCl)nc2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	377403	""
"658847"	"658847"	"2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"Fc1ccc(cc1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	1	1	377404	""
"658848"	"658848"	"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide"	"CCNC1=C(NC(=O)c2ccc(F)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	377405	""
"658850"	"658850"	"2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"COc1cc(OC)cc(c1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	377407	""
"658851"	"658851"	"2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone"	"CCNC1=C(NC(=O)c2cc(OC)cc(OC)c2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	377408	""
"658852"	"658852"	"2-(3,5-Dimethoxyphenyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(nc2C(=O)c3ccccc3C(=O)c12)c4cc(OC)cc(OC)c4"	0	""	""	1	1	377409	""
"658853"	"658853"	"KUC110490N"	"ClC1=C(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	377410	""
"658855"	"658855"	"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide"	"CCNC1=C(NC(=O)c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	377412	""
"658856"	"658856"	"1-Ethyl-2-phenyl-1H-naphtho[2,3-d]imidazole-4,9-dione"	"CCn1c(nc2C(=O)c3ccccc3C(=O)c12)c4ccccc4"	0	""	""	1	1	377413	""
"658859"	"658859"	"2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone"	"COc1ccc(cc1)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O"	0	""	""	2	2	377416	""
"658867"	"658867"	"Neuro_000382"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccccc3"	0	""	""	3	3	5467768	""
"658868"	"658868"	"1,8-Naphthyridin-4(1H)-one, 6-methyl-2-phenyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccccc3"	0	""	""	3	2	377425	""
"658869"	"658869"	"5-Methyl-2-phenyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccccc3"	0	""	""	2	2	377426	""
"658870"	"658870"	"1,8-Naphthyridin-4(1H)-one, 2-phenyl-"	"O=C1C=C(Nc2ncccc12)c3ccccc3"	0	""	""	2	2	377427	""
"658872"	"658872"	"2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)Oc3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	135409136	""
"658873"	"658873"	"2-Chloro-3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}-5,8-dimethoxynaphthalene-1,4-dione"	"COc1ccc(OC)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CCOCCO)CC3"	0	""	""	2	2	377430	""
"658874"	"658874"	"6-Methoxynaphthazarin"	"COC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	377431	""
"658883"	"658883"	""	"COc1ccc(cc1)C2=C(C#N)C(=O)N=C(SC)N2C3OCC(OC(=O)C)C(OC(=O)C)C3OC(=O)C"	0	NA	NA	1	1	NA	""
"658920"	"658920"	"LS-129409"	"COc1ccc(cc1)N2C=NN3C(=O)c4cn[nH]c4N=C23"	0	""	""	1	1	377463	""
"658928"	"658928"	"Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) a..."	"Cc1ccc(c(C[N+](C)(CCCl)CCCl)c1)[N+](=O)[O-]"	0	""	""	1	1	377472	""
"658929"	"658929"	"Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)am..."	"Cc1cccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-]"	0	""	""	1	1	377474	""
"658945"	"658945"	"1,2-Bis(4-methoxyphenyl)-2-butanol"	"CCC(O)(Cc1ccc(OC)cc1)c2ccc(OC)cc2"	0	""	""	1	1	377479	""
"658958"	"658958"	"10-Chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one"	"[O-][N+](=O)c1ccc(cc1)N2N=C(N3CC(=O)N(CC4CC4)c5ccc(Cl)cc5C23c6ccccc6)c7ccccc7"	0	""	""	1	1	377490	""
"658962"	"658962"	""	"C[C@]12C[C@@H](Nc3ccccc3N1C(=NO2)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"658963"	"658963"	""	"C[C@]12C[C@H](Nc3ccccc3N1C(=NO2)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"658995"	"658995"	"13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene"	"COc1ccc2Nc3c4C(=NCCN(C)c4ccc3[N+](=O)[O-])c2c1"	0	""	""	1	1	438699	""
"659000"	"659000"	"7-Chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4-one"	"Cc1cc(on1)N2C(=Nc3cc(Cl)ccc3C2=O)\C=C\c4ccc(Cl)cc4"	0	""	""	1	1	5467778	""
"659102"	"659102"	""	"Clc1ccc(\C=C\2/Sc3scc(CC(=O)Nc4ccccc4)[n+]3C2=O)cc1"	0	NA	NA	1	1	NA	""
"659123"	"659123"	"9-Butyl-1,2,3,4,5,6,7,8-octahydro-4-acridinol"	"CCCCc1c2CCCCc2nc3C(O)CCCc13"	0	""	""	1	1	377556	""
"659126"	"659126"	"[(E)-(3,4-Dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide"	"C[N+](C)(C)\N=C\c1ccc(O)c(O)c1"	0	""	""	2	1	135476761	""
"659127"	"659127"	""	"COc1cccc(\C=N\NC(=O)CN(C)C)c1O"	0	NA	NA	1	1	NA	""
"659134"	"659134"	"2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate"	"CNC(=O)OCCN1c2ccccc2Sc3ccccc13"	0	""	""	1	1	377569	""
"659148"	"659148"	""	"CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc3ccc(Cl)cc13"	0	NA	NA	1	1	NA	""
"659154"	"659154"	"LS-16723"	"CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c2ccccc2"	0	""	""	1	1	59252	""
"659162"	"659162"	"1H-Benzimidazole, 5,5'-dithiobis[2-(trifluoromethyl)- (9CI)"	"FC(F)(F)c1nc2cc(SSc3ccc4[nH]c(nc4c3)C(F)(F)F)ccc2[nH]1"	0	""	""	2	1	59453	"102516983"
"659167"	"659167"	"LS-57550"	"CC1=C(C)CC(C#N)(C#N)C(C1)(C#N)C#N"	0	""	""	2	2	50316	""
"659192"	"659192"	"LS-158387"	"COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O"	0	""	""	1	1	377615	""
"659237"	"659237"	"LS-95745"	"N(c1occn1)c2cccc3ccccc23"	0	""	""	1	1	57834	""
"659242"	"659242"	"2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol"	"OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	377661	""
"659255"	"659255"	"5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol"	"OC(CC(O)(C(F)(F)F)C(F)(F)F)C(O)c1occc1"	0	""	""	1	1	377676	""
"659268"	"659268"	"LS-120177"	"OC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1"	0	""	""	1	1	215057	""
"659269"	"659269"	"LS-57553"	"CC1=CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1"	0	""	""	1	1	215054	""
"659287"	"659287"	"6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride"	"CN(C)CCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	377696	""
"659288"	"659288"	"2,3-Dibromo-5,8-dihydroxynaphthoquinone"	"Oc1ccc(O)c2C(=O)C(=C(Br)C(=O)c12)Br"	0	""	""	2	2	438700	""
"659289"	"659289"	"3-(Pyridin-3-yl)quinoline-4-carbohydrazide"	"NNC(=O)c1c(cnc2ccccc12)c3cccnc3"	0	""	""	1	1	377698	""
"659319"	"659319"	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile"	"COc1c(Br)cc(\C=C(/C#N)\c2cccnc2)cc1Br"	0	""	""	1	1	5467796	""
"659321"	"659321"	"QXSRLZYSIFQJJS-UKTHLTGXSA-N"	"COc1ccc(\C=C(/C#N)\c2ccccn2)cc1OC"	0	""	""	1	1	5467797	""
"659323"	"659323"	"3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile"	"Clc1cc(Cl)cc(\C=C(/C#N)\c2ccccn2)c1"	0	""	""	1	1	5467799	""
"659324"	"659324"	"3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	"COc1c(Br)cc(\C=C(/C#N)\c2ccccn2)cc1Br"	0	""	""	1	1	5467800	""
"659325"	"659325"	"3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile"	"COc1cc(\C=C(/C#N)\c2ccccn2)cc(Br)c1O"	0	""	""	1	1	135499406	""
"659332"	"659332"	"4-Chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline"	"CN(\N=C\c1ccnc2ccccc12)c3ccc(Cl)cc3[N+](=O)[O-]"	0	""	""	1	1	9571424	""
"659337"	"659337"	"2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide"	"CC(=NN1C=NC2=C(NC(C)(C)N=C12)C(=O)N)C"	0	""	""	1	1	135409139	""
"659338"	"659338"	"N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide"	"CC(=NN\C=N/C(=C(\N)/C#N)/C#N)C"	0	""	""	1	1	3004651	""
"659343"	"659343"	"2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccccc2"	0	""	""	1	1	377752	""
"659346"	"659346"	"2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccc(Cl)cc2"	0	""	""	1	1	377755	""
"659347"	"659347"	"2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid"	"CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c2ccc(Cl)c(Cl)c2"	0	""	""	1	1	377756	""
"659390"	"659390"	""	"Oc1ccc(cc1O)c2csc(N\C=C/3\C(=O)Oc4ccccc4C3=O)n2"	0	NA	NA	2	2	NA	""
"659434"	"659434"	"(5Z)-5-[(2-Hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione"	"Oc1ccc2ccccc2c1\C=C/3\NC(=O)NC3=O"	0	""	""	1	1	135458242	""
"659441"	"659441"	"N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide"	"CCCCCCCCCCCCCCCCNC(=O)\C(=C/c1ccc(Cl)c(Cl)c1)\NC(=O)c2ccccc2"	0	""	""	1	1	5880148	""
"659501"	"659501"	"Naphtho[2,3-d]thiazole-4,9-dione, 3-methyl-2-(methylimino)-"	"C\N=C\1/SC2=C(N1C)C(=O)c3ccccc3C2=O"	0	""	""	2	2	377877	""
"659547"	"659547"	""	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccc(F)cc45"	0	NA	NA	1	1	NA	""
"659548"	"659548"	"Calycopterone"	"CO[C@H]1C[C@@H](Oc2c(OC)c(O)c3c(O[C@]45O[C@H](CC=C4C(=O)C(=C(OC)[C@]35OC)OC)c6ccccc6)c12)c7ccccc7"	0	NA	NA	2	2	NA	""
"659549"	"659549"	"Calycopterin"	"COC1=C(Oc2cc(OC)c(OC)c(O)c2C1=O)c3ccc(O)cc3"	0	NA	NA	1	1	NA	""
"659550"	"659550"	"2-(3,4-Dibromo-4-methylpentyl)-1,3-butadiene"	"CC(C)(Br)C(Br)CCC(=C)C=C"	0	""	""	1	1	377927	""
"659552"	"659552"	"3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Br)(CBr)C=C"	0	""	""	2	2	377929	""
"659553"	"659553"	"2,3,6-Tribromo-7-chloro-3,7-dimethyl-1-octene"	"CC(C)(Cl)C(Br)CCC(C)(Br)C(=C)Br"	0	""	""	2	1	377930	""
"659554"	"659554"	"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C=C"	0	""	""	1	1	1552	""
"659555"	"659555"	"1,2,6-Tribromo-3,7-dichloro-3,7-dimethyloctane"	"CC(C)(Cl)C(Br)CCC(C)(Cl)C(Br)CBr"	0	""	""	1	1	377931	""
"659557"	"659557"	"(E and Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-..."	"CC(C)(Cl)C(Br)CC\C(=C/CBr)\CBr.CC(C)(Cl)C(Br)CC\C(=C\CBr)\CBr"	0	""	""	2	2	5467856	""
"659558"	"659558"	"(E and Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-..."	"CC(C)(Cl)C(Br)CC\C(=C/CCl)\CBr.CC(C)(Cl)C(Br)CC\C(=C\CCl)\CBr"	0	""	""	2	2	5467859	""
"659608"	"659608"	"[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-[2-[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinyl]methyl]phosphonous acid"	"OP(O)C(NNC(=O)CC(=O)Nc1ccccc1Cl)c2cc(ccc2O)N=Nc3ccc(Br)cc3"	0	""	""	1	1	377940	""
"659609"	"659609"	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-methylphenyl)-3-oxopropanamide"	"Cc1ccccc1NC(=O)CC(=O)NNC(Sc2ccccc2)c3cc(ccc3O)N=Nc4ccc(Br)cc4"	0	""	""	1	1	377941	""
"659610"	"659610"	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-chlorophenyl)-3-oxopropanamide"	"Oc1ccc(cc1C(NNC(=O)CC(=O)Nc2ccccc2Cl)Sc3ccccc3)N=Nc4ccc(Br)cc4"	0	""	""	1	1	377942	""
"659611"	"659611"	"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-3-oxo-N-phenylpropanamide"	"Oc1ccc(cc1C(NNC(=O)CC(=O)Nc2ccccc2)Sc3ccccc3)N=Nc4ccc(Br)cc4"	0	""	""	1	1	377943	""
"659616"	"659616"	"[[2-(3-Anilino-3-oxopropanoyl)hydrazinyl]-[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]methyl]phosphonous acid"	"OP(O)C(NNC(=O)CC(=O)Nc1ccccc1)c2cc(ccc2O)N=Nc3ccc(Br)cc3"	0	""	""	1	1	377948	""
"659647"	"659647"	"2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCN(CC3)c4ncccn4"	0	""	""	2	2	438704	""
"659648"	"659648"	"Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-[4-(2-h..."	"OCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	3	3	377971	""
"659687"	"659687"	"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 9-hydroxy- 5,6-..."	"CN(C)CCNC(=O)c1nccc2c(C)c3c(cc12)c4cc(O)ccc4n3C"	0	NA	NA	3	3	NA	""
"659778"	"659778"	"3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea"	"O=C(N(Cc1occc1)C(=S)Nc2ccccc2)c3occc3"	0	""	""	2	2	3004796	""
"659779"	"659779"	"2-Bromoleptoclinidinone"	"Brc1ccc2c(c1)nc3C(=O)c4cccnc4c5nccc2c35"	0	""	""	2	2	378074	"109802177"
"659780"	"659780"	"11-Methylpyrido[2,3-b]acridine-5,12-dione"	"Cc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	1	1	378075	""
"659853"	"659853"	"L-alpha-Aminobutyric Acid"	"COc1cc2C3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CCc2cc1O"	0	NA	NA	5	5	NA	"362072"
"659924"	"659924"	"1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea"	"CC(=C)CNC(=S)N(N)c1ccc2ccccc2c1"	0	""	""	1	1	3004832	""
"659934"	"659934"	"5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one"	"CC(=CCS(=O)c1ccccc1NC2=CC(=O)CC(C)(C)C2)C"	0	""	""	1	1	378130	""
"659935"	"659935"	""	"[I-].[I-].CCCCCCCCCCCCCC\C(=C\OCC[N+](C)(C)C)\OC(=O)C.CCCCCCCCCCCCC\C=C(\COCC[N+](C)(C)C)/OC(=O)C"	0	NA	NA	1	1	NA	""
"659936"	"659936"	""	"C\C\1=C/C2OC(=O)C(=C)[C@@H]2C(C\C(=C\CC1)\C)OC(=O)\C(=C\CO)\CO"	0	NA	NA	2	2	NA	""
"659937"	"659937"	"Oxireno[2,3]azuleno[4,5-b]furan-2,7-dione, 2,3,3a,4,5,7,..."	"CC1=C2C(C3OC(=O)C(=C)[C@@H]3CC1)[C@]4(C)OC4C2=O"	0	NA	NA	2	2	NA	""
"659947"	"659947"	"7-O-[3-O-93-Amino-2,3,6-trideoxy-.alpha.-L.lyxo-hexopyra..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5CC(OC6CC(N)C(O)C(C)O6)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	""	""	2	1	11970066	""
"659948"	"659948"	"7-O-(2,3,6-Trideoxy-2-fluoro-.alpha.-L-talo-hexopyranosy..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C)C(F)C(O)C1O"	0	""	""	2	2	6712215	""
"659949"	"659949"	"14-Bromo-7-O-(2,3,6-trideoxy-2-fluoro-.alpha.-L-talo-hex..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)CBr)C(F)C(O)C1O"	0	""	""	2	2	6712216	""
"659950"	"659950"	"7-O-(3,4-Di-O-acetyl-2,3,6-trideoxy-2-fluoro-.alpha.-L-t..."	"CC1OC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C)C(F)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	6712217	""
"659996"	"659996"	"C11H7ClO5"	"COC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	135409146	""
"659997"	"659997"	"Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-(2-meth..."	"COCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	135409147	""
"659998"	"659998"	"6-Chloro-5,8-dihydroxy-7-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione"	"COCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	135409148	""
"659999"	"659999"	"Naphthalene-1,4-dione, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2..."	"OCCOCCN1CCN(CC1)C2=C(Br)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	378196	""
"660019"	"660019"	""	"[O-][N+](=O)c1ccc(\C=C\2/SC(=S)N(\C=C(/C#N)\c3nc4ccccc4s3)C2=O)cc1"	0	NA	NA	1	1	NA	""
"660026"	"660026"	"4-[(5S,8R,8Ar)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"CO[C@@H]1OCC2[C@H](Nc3ccccc3)c4cc5OCOc5cc4C([C@@H]12)c6cc(OC)c(O)c(OC)c6"	0	""	""	1	1	378223	""
"660027"	"660027"	"4-[(5S,8Ar)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2[C@H]3COCC3[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	378224	""
"660028"	"660028"	"4-[(5S,8Ar)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2[C@H]3COCC3[C@H](Nc4ccccc4)c5cc6OCOc6cc25"	0	""	""	1	1	378225	""
"660029"	"660029"	"(5S,8R,8Ar)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol"	"COc1cc(cc(OC)c1O)C2[C@H]3[C@H](O)OCC3[C@H](Nc4ccc(F)cc4)c5cc6OCOc6cc25"	0	""	""	1	1	378226	""
"660031"	"660031"	"11-Methoxyrutecarprine"	"COc1ccc2c3CCN4C(=O)c5ccccc5N=C4c3[nH]c2c1"	0	""	""	1	1	378228	""
"660032"	"660032"	"18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one"	"O=C1N2CCc3c([nH]c4cc5OCOc5cc34)C2=Nc6ccccc16"	0	""	""	1	1	378229	""
"660144"	"660144"	"Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate"	"CCOC(=O)\C(=C/c1oc(CO)cc1)\P(=O)(OCC)OCC"	0	""	""	1	1	5467924	""
"660145"	"660145"	"Triethyl 2-phosphono-3-(4-quinoline)acrylate"	"CCOC(=O)\C(=C/c1ccnc2ccccc12)\P(=O)(OCC)OCC"	0	NA	NA	1	1	NA	""
"660147"	"660147"	"Trimethyl 2-phosphono-3-(2-furan)acrylate"	"COC(=O)\C(=C/c1occc1)\P(=O)(OC)OC"	0	""	""	1	1	5467926	""
"660148"	"660148"	"Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate"	"COC(=O)\C(=C(\C)/c1occc1)\P(=O)(OC)OC"	0	NA	NA	1	1	NA	""
"660149"	"660149"	"Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile"	"CC(C)OP(=O)(OC(C)C)\C(=C\c1occc1)\C#N"	0	""	""	1	1	5467928	""
"660150"	"660150"	"3-Diethylphosphono-6-hydroxycoumarin"	"CCOP(=O)(OCC)C1=Cc2cc(O)ccc2OC1=O"	0	""	""	1	1	378257	""
"660159"	"660159"	"Ethyl 2-cyano-3-(4-quinoline)acrylate"	"CCOC(=O)\C(=C\c1ccnc2ccccc12)\C#N"	0	""	""	1	1	5467937	""
"660160"	"660160"	"Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile"	"CCOP(=O)(OCC)\C(=C\c1ccnc2ccccc12)\C#N"	0	""	""	1	1	5467938	""
"660224"	"660224"	"WEHI-150"	"NCCNCCNc1ccc(NCCNCCN)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	1	1	438708	""
"660313"	"660313"	"KUC100204"	"COc1cccc(c1)C2=CC(=O)c3cc(NC(=O)C)ccc3N2"	0	""	""	1	1	378309	""
"660334"	"660334"	"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile"	"Clc1cc(C#N)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	378325	""
"660340"	"660340"	"5-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4-methyl-1H-pyrimidin-6-one"	"CC1=C(CCO)C(=O)N(N1)C2=NC(=C(CCO)C(=O)N2)C"	0	""	""	1	1	135409152	""
"660427"	"660427"	"Pyrizinostatin"	"CN1N=C2N(C)C(=O)N(C)C(=O)C2(CC(=O)C)NC1=O"	0	""	""	1	1	127007	""
"660429"	"660429"	"1,4-Dimethylpyrido[1,2-a]benzimidazole"	"Cc1ccc(C)n2c3ccccc3nc12"	0	""	""	1	1	378347	""
"660430"	"660430"	"Pyrido[1,2-a]benzimidazole"	"c1ccc2c(c1)nc3ccccn23"	0	""	""	1	1	378348	""
"660431"	"660431"	"1,4-Dimethylnaphtho[2',3':4,5]imidazo[1,2-a]pyridine"	"Cc1ccc(C)n2c3cc4ccccc4cc3nc12"	0	""	""	1	1	378349	""
"660439"	"660439"	"6,11-Dimethylbenzimidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2c(C)n3c4ccccc4nc13"	0	""	""	1	1	378356	""
"660632"	"660632"	"2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin"	"CCCCOCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	135409154	""
"660633"	"660633"	"2-Chloro-3-(3-chloro-propyloxy)-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)OCCCCl"	0	""	""	2	2	135409155	""
"660634"	"660634"	"2-Chloro-3-(2-chloroethoxy)-naphthazarin"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)OCCCl"	0	""	""	2	2	135409156	""
"660635"	"660635"	"2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]- naphthaz..."	"CC(=O)c1ccc(cc1)N2CCN(CC2)C3=C(Cl)C(=O)c4c(O)ccc(O)c4C3=O"	0	""	""	1	1	378361	""
"660636"	"660636"	"2-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin"	"CC(=O)c1ccc(cc1)N2CCN(CC2)C3=CC(=O)c4c(O)ccc(O)c4C3=O"	0	""	""	1	1	438711	""
"660637"	"660637"	"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	378362	""
"660638"	"660638"	"6-Chloro-5,8-dihydroxy-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}naphthalene-1,4-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	375897	""
"660647"	"660647"	""	"CN(C)c1ccc(cc1)\C(=C\2/OC(=O)c3ccccc23)\Br"	0	NA	NA	1	1	NA	""
"660667"	"660667"	"9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene"	"COc1ccc(cc1)c2c3ccccc3c(c4ccc(OCCBr)cc4)c5ccccc25"	0	""	""	1	1	378370	""
"660673"	"660673"	"1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate"	"COc1ccc(cc1)\N=C\C=C\C(=C\COC(=O)C)\OC(=O)C"	0	""	""	1	1	5467952	""
"660675"	"660675"	"1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate"	"COc1ccc(NC\C=C\C(=C\COC(=O)C)\OC(=O)C)cc1"	0	""	""	1	1	5467954	""
"660813"	"660813"	"6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one"	"CN1c2c(C)cccc2C(=O)c3c(O)cc4OC(C)(C)C=Cc4c13"	0	""	""	1	1	5465763	""
"660814"	"660814"	"1-Hydroxy-3-methyl-10H-acridin-9-one"	"Cc1cc(O)c2C(=O)c3ccccc3Nc2c1"	0	""	""	1	1	5465764	""
"660816"	"660816"	"3-Methoxy-1,10-dimethyl-9(10H)-acridinone"	"COc1cc(C)c2C(=O)c3ccccc3N(C)c2c1"	0	""	""	1	1	378398	""
"660817"	"660817"	"6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one"	"CN1c2ccccc2C(=O)c3c(O)cc4OC5(CCCC5)C=Cc4c13"	0	""	""	1	1	5465765	""
"660818"	"660818"	"Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	"COc1cc2OC3(CCCC3)C=Cc2c4N(C)c5ccccc5C(=O)c14"	0	""	""	1	1	378400	""
"660821"	"660821"	""	"COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]34C=C(C(C)C)[C@H](CC23)CC4(Cl)C#N"	0	NA	NA	1	1	NA	""
"660838"	"660838"	"5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4C(=O)c1c23"	0	""	""	1	1	378419	""
"660839"	"660839"	"5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4C(=O)c1c23"	0	""	""	1	1	378420	""
"660840"	"660840"	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one"	"CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4C(=O)c1c23"	0	""	""	2	2	378421	""
"660841"	"660841"	"10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one"	"CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4C(=O)c1c23"	0	""	""	2	2	378422	""
"660842"	"660842"	""	"OC(=O)C[n+]1cn(NC(=O)Cc2ccccc2)cn1"	0	NA	NA	1	1	NA	""
"660843"	"660843"	"1-(2-Tert-butoxy-2-oxoethyl)-4-[methyl(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium bromide"	"CN(C(=O)Cc1ccccc1)n2cn[n+](CC(=O)OC(C)(C)C)c2"	0	""	""	1	1	378423	""
"660850"	"660850"	"2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide"	"CO\N=C(/C(=O)Nc1cncs1)\c2csc(NC(c3ccccc3)(c4ccccc4)c5ccccc5)n2"	0	""	""	1	1	6393313	""
"660854"	"660854"	"Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate"	"CO\N=C(\C(=O)N(N1C=NN(CC(=O)OC(C)(C)C)C1=O)C(=O)\C(=N\OC)\c2csc(NC(c3ccccc3)(c4ccccc4)c5ccccc5)n2)/c6csc(NC(c7ccccc7)(c8ccccc8)c9ccccc9)n6"	0	""	""	1	1	16129786	""
"660977"	"660977"	"2-bromo-8-hydroxy-6-methyl-1,4-naphthoquinone"	"Cc1cc(O)c2C(=O)C(=CC(=O)c2c1)Br"	0	""	""	2	2	378439	"161811592"
"660978"	"660978"	"2-bromo-8-methoxy-6-methyl-1,4-naphthoquinone"	"COc1cc(C)cc2C(=O)C=C(Br)C(=O)c12"	0	""	""	2	2	378440	""
"660979"	"660979"	"2-bromo-6-methyl-1,4,8-trimethoxynaphthalene"	"COc1cc(Br)c(OC)c2c(OC)cc(C)cc12"	0	""	""	1	1	378441	""
"660981"	"660981"	"(S)-(+)-N-1-(3,5-Dimethoxybenzyl)ethyl acetamide"	"COc1cc(CC(C)NC(=O)C)cc(OC)c1"	0	""	""	1	1	378442	""
"660983"	"660983"	"(1R,3S)-1,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy- N..."	"COc1cc2CC(C)N(Cc3ccccc3)[C@@H](C)c2c(OC)c1"	0	""	""	1	1	378444	""
"661005"	"661005"	""	""	0	NA	NA	1	1	NA	""
"661083"	"661083"	"2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-4-chloro-5-methylbenzenesulfonamide"	"CC1=NN(c2nc(N)nc(CSc3cc(Cl)c(C)cc3S(=O)(=O)N)n2)C(C)(C)C1"	0	""	""	1	1	378483	""
"661091"	"661091"	"2-[2-[[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid"	"CC1CC=NN1c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3SCC(=O)O)n2"	0	""	""	1	1	378491	""
"661094"	"661094"	"6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1"	0	""	""	1	1	378494	""
"661095"	"661095"	"Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2S1"	0	""	""	1	1	378495	""
"661096"	"661096"	"6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide"	"CNNC1=NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1"	0	""	""	1	1	378496	""
"661098"	"661098"	"6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide"	"Cc1cc2c(SC(=NS2(=O)=O)NNC3=NCCN3)cc1Cl"	0	""	""	1	1	378498	""
"661108"	"661108"	""	"CN(C)C1=N\C(=N\Cc2ccccc2)\SS1"	0	NA	NA	2	1	NA	""
"661109"	"661109"	""	"CN(C)C1=N\C(=N\Cc2ccccn2)\SS1"	0	NA	NA	2	1	NA	""
"661110"	"661110"	""	"CN(C)C1=N\C(=N\Cc2cccs2)\SS1"	0	NA	NA	2	1	NA	""
"661111"	"661111"	""	"CN(C)C1=N\C(=N\Cc2cccnc2)\SS1"	0	NA	NA	1	1	NA	""
"661112"	"661112"	""	"CN(C)C1=N\C(=N\Cc2ccncc2)\SS1"	0	NA	NA	4	1	NA	""
"661113"	"661113"	""	"COc1cc(C\N=C\2/SSC(=N2)N(C)C)cc(OC)c1OC"	0	NA	NA	2	1	NA	""
"661114"	"661114"	"Physalin O"	"C[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]3C(=O)C4(O)OC35C2(C)OC(=O)[C@@]5(O)CCC6C4C(O)C=C7CC=CC(=O)[C@]67C"	0	NA	NA	1	1	NA	""
"661115"	"661115"	"Physalin F"	"C[C@@]12C[C@H]3OC(=O)[C@@H]1COC45OC6([C@H]2C4=O)C3(C)OC(=O)C6(O)CCC7C5C[C@H]8O[C@]89CC=CC(=O)[C@]79C"	0	NA	NA	1	1	NA	""
"661153"	"661153"	"Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, 6-[3-(methylam..."	"CNCCCn1c2ccccc2c3c4C(=O)NC(=O)c4c(cc13)c5ccsc5"	0	""	""	2	2	378525	""
"661180"	"661180"	"6-Admpb"	"COc1ccc(cc1)C2=C(OC(=O)C)c3cccn3c4ccccc4S2"	0	""	""	1	1	1784	""
"661185"	"661185"	"6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate"	"COc1ccc(cc1)C2=C(OC(=O)N(C)C)c3cccn3c4cc(ccc4S2)C(F)(F)F"	0	""	""	1	1	378550	""
"661196"	"661196"	"Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5-hydr..."	"N[C@@H]1[C@H](O)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	2	NA	""
"661201"	"661201"	"Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate"	"CCOC(=O)c1sc2nc(nn2c1CBr)c3ccccc3"	0	""	""	1	1	378562	""
"661203"	"661203"	"Rutagravine"	"CN1c2ccccc2C(=O)c3c(O)cc4OC5C(OCC5(C)O)c4c13"	0	""	""	1	1	5465778	""
"661204"	"661204"	"3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone"	"COc1cc(OC(C)(C)C#C)cc2N(C)c3ccccc3C(=O)c12"	0	""	""	1	1	378565	""
"661205"	"661205"	"4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one"	"CN1c2ccccc2C(=O)c3c(O)c4CC(Oc4cc13)C(=C)C"	0	""	""	2	2	378566	""
"661221"	"661221"	"1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-"	"Cc1ccc2c(c1)c3ccc4C(=O)C=CC(=O)c4c3n2C"	0	""	""	2	2	378581	""
"661222"	"661222"	"11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"CCCn1c2ccccc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	2	1	378582	""
"661223"	"661223"	"1H-Benzo[a]carbazole-1,4-dione, 4,11-dihydro- 11-(3-nitr..."	"[O-][N+](=O)c1cccc(c1)n2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24"	0	""	""	2	2	378583	""
"661224"	"661224"	"9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cc1ccc2c3ccc4C(=O)C=CC(=O)c4c3n(C)c2c1"	0	""	""	2	2	378584	""
"661225"	"661225"	"11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccccc2c3c(cc4C(=O)C=CC(=O)c4c13)c5ccccc5"	0	""	""	2	2	378585	""
"661226"	"661226"	"Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate"	"COC(=O)c1c(C(=O)OC)c2c3ccccc3n(C)c2c4C(=O)C=CC(=O)c14"	0	""	""	2	2	378586	""
"661229"	"661229"	"13-(3-Methoxyphenyl)-9,13-diazahexacyclo[14.8.0.02,10.03,8.011,15.019,24]tetracosa-2(10),3,5,7,19,21,23-heptaene-12,14-dione"	"COc1cccc(c1)N2C(=O)C3C4CCc5ccccc5C4c6c([nH]c7ccccc67)C3C2=O"	0	""	""	2	1	378589	""
"661231"	"661231"	"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one"	"Cc1ccc(NCC2CC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	2	2	5467971	""
"661232"	"661232"	"2-(4-hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclope..."	"Oc1ccc(\C=C\2/CCC(CNc3ccccc3)C2=O)cc1"	0	""	""	2	2	5467972	""
"661233"	"661233"	"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one"	"CCOc1ccc(NCC2CC\C(=C/c3ccc(O)cc3)\C2=O)cc1"	0	""	""	2	2	5467973	""
"661235"	"661235"	"2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene..."	"COc1ccc(\C=C\2/CCC(CNc3ccc(Br)cc3)C2=O)cc1"	0	""	""	1	1	5467975	""
"661236"	"661236"	"4-[[(3E)-3-[(4-Methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide"	"COc1ccc(\C=C\2/CCC(CNc3ccc(cc3)S(=O)(=O)N)C2=O)cc1"	0	""	""	2	2	5467976	""
"661238"	"661238"	"(5E)-2-(Anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one"	"O=C1C(CNc2ccccc2)CC/C/1=C\C=C\c3ccccc3"	0	""	""	2	2	5467978	""
"661239"	"661239"	"(5E)-2-[(4-Bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one"	"Brc1ccc(NCC2CC\C(=C/C=C/c3ccccc3)\C2=O)cc1"	0	""	""	1	1	5467979	""
"661242"	"661242"	"Homofascaplysin B"	"COC(=O)C(=O)c1c2ccccc2n3ccc4c5ccccc5[nH]c4c13"	0	""	""	1	1	378602	""
"661243"	"661243"	"[?]carbaldehyde"	"O=Cc1c2ccccc2n3ccc4c5ccccc5[nH]c4c13"	0	""	""	1	1	378603	""
"661254"	"661254"	""	""	0	NA	NA	1	1	NA	""
"661412"	"661412"	"Arborescidine D"	"CN1CCc2c3C1CCC[C@@H](O)n3c4cc(Br)ccc24"	0	""	""	2	1	378619	""
"661413"	"661413"	"2-(2-Methoxyethoxy)naphthazarin"	"COCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	378620	""
"661415"	"661415"	"2-Chloro-3-(2-butoxyethoxy)naphthazarin"	"CCCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	135406263	""
"661416"	"661416"	"2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin"	"COCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	378623	""
"661417"	"661417"	"2-(2-Butoxyethoxy)naphthazarin"	"CCCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	378624	""
"661418"	"661418"	"2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin"	"CCCCOCCOCCOC1=CC(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	1	1	378625	""
"661419"	"661419"	"2-(1-(4-Methyl)piperazino)naphthazarin"	"CN1CCN(CC1)C2=CC(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	1	1	378626	""
"661420"	"661420"	"2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin"	"CN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	378627	""
"661421"	"661421"	"GTPL10345"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N3CCOCC3"	0	""	""	2	2	378629	""
"661428"	"661428"	""	"CC(=O)OC[C@]12CCC3[C@@]4(C)CCCC(C)(C)C4CC[C@@]3(C)C1CC(O2)C5=CC(=O)OC5O"	0	NA	NA	1	1	NA	""
"661440"	"661440"	"5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(dimeth..."	"CN(C)CC1CCCc2ccccc2C1=O"	0	NA	NA	2	2	NA	""
"661441"	"661441"	"N,N-Dimethyl-N-[(6,7,8,9-tetrahydro-5H-benzocyclohepten-..."	"C[N+](C)(C)CC1CCCc2ccccc2C1=O"	0	""	""	4	4	378643	""
"661443"	"661443"	"(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)pent-1-en-3-one"	"CCN(CC)CCC(=O)\C=C\c1ccc(Cl)c(Cl)c1"	0	""	""	1	1	5467985	""
"661446"	"661446"	""	"CC(C)(CN1CCCCC1)\C(=N/NC(=O)N\N=C(\C=C\c2ccc(Cl)c(Cl)c2)/C(C)(C)CN3CCCCC3)\C=C\c4ccc(Cl)c(Cl)c4"	0	NA	NA	1	1	NA	""
"661447"	"661447"	""	"Cc1ccc(\C=C\C(=N\NC(=O)N\N=C(\C=C\c2ccc(C)cc2)/C(C)(C)CN3CCCCC3)\C(C)(C)CN4CCCCC4)cc1"	0	NA	NA	2	2	NA	""
"661448"	"661448"	""	"COc1ccc(\C=C\C(=N\NC(=O)N\N=C(\C=C\c2ccc(OC)cc2)/C(C)(C)CN3CCCCC3)\C(C)(C)CN4CCCCC4)cc1"	0	NA	NA	1	1	NA	""
"661449"	"661449"	""	"CN(C)CC1CCCCCCCCCCC1=O"	0	NA	NA	1	1	NA	""
"661470"	"661470"	"4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide"	"CC1(C)N(O)C(C)(C)[N+](=C1CBr)[O-]"	0	""	""	2	1	378673	""
"661580"	"661580"	"2-Azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\[C@@H](C)C1OC(=O)CN)\C)\C)C2=O"	0	""	""	2	2	5467999	""
"661581"	"661581"	"2-azabicyclo[16.3.1]docosane, geldanamycin deriv."	"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\[C@@H](C)[C@@H]1OC(=O)CCN)\C)\C)C2=O"	0	""	""	2	2	5468001	""
"661583"	"661583"	"TRIBUTYRIN"	"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC"	0	""	""	2	1	6050	"60015"
"661734"	"661734"	"N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide"	"Cc1cccc(\C=N\NC(=S)N2CCCC2)n1"	0	""	""	3	2	9571830	""
"661746"	"661746"	"2-debenzoyl-2-(3',5'-difluorobenzoyl)-a-nortaxol"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4cc(F)cc(F)c4)[C@@]5(CC(OC(=O)C(O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C15)C)C(=C)C"	0	"TUBB"	""	2	2	6712230	""
"661747"	"661747"	"Ursa-11,13(18)-dien-28-oic acid-3.beta.-ol"	"CC1CC[C@@]2(CCC3(C)C(=C2[C@H]1C)C=CC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C(=O)O"	0	NA	NA	1	1	NA	""
"661748"	"661748"	"Hopeaphenol"	"Oc1ccc(cc1)[C@H]2Oc3cc(O)cc4[C@H]([C@@H]5[C@@H](c6ccc(O)cc6)c7c(O)cc(O)cc7C8[C@H](Oc9cc(O)cc5c89)c%10ccc(O)cc%10)[C@@H](c%11ccc(O)cc%11)c%12c(O)cc(O)cc%12C2c34"	0	NA	NA	1	1	NA	"17912855"
"661820"	"661820"	""	"CCN(CC)CCN1c2ccc3cnn(CCN(CC)CC)c3c2C(=O)c4cccnc14"	0	NA	NA	2	1	NA	""
"661822"	"661822"	""	"CCN(CC)CCN1c2cc3OCCOc3cc2C(=O)c4cccnc14"	0	NA	NA	1	1	NA	""
"661832"	"661832"	"2,5-Dibenzyl-2-undecyloctahydro-1H-pyrrolo[3,4-c]pyridin-2-ium bromide"	"CCCCCCCCCCC[N+]1(Cc2ccccc2)CC3CCN(Cc4ccccc4)CC3C1"	0	""	""	1	1	378731	""
"661908"	"661908"	"4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole"	"N#Cc1ccc(cc1)C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	378752	""
"661916"	"661916"	"N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine"	"[O-][N+](=O)c1ccc(Cl)c(\C=N\C23CC4CC(CC(C4)C2)C3)c1"	0	""	""	2	1	378760	""
"661938"	"661938"	"6-Chloro-5,8-dihydroxy-7-[(2-hydroxyethyl)amino]naphthalene-1,4-dione"	"OCCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	1	378768	""
"661939"	"661939"	"2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate"	"CC(=O)OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	378769	""
"661940"	"661940"	"2-(2-chloroethoxy)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)OCCCl"	0	""	""	3	2	378770	""
"661941"	"661941"	"2-(3-chloropropyloxy)naphthazarin"	"Oc1ccc(O)c2C(=O)C(=CC(=O)c12)OCCCCl"	0	""	""	2	1	378771	""
"661942"	"661942"	"6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin"	"Oc1c(Cl)c(N(CCCl)CCCl)c(O)c2C(=O)C=CC(=O)c12"	0	""	""	4	2	378772	""
"661943"	"661943"	"2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester"	"CCC(C)[C@@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)OC"	0	""	""	1	1	378773	""
"661957"	"661957"	"1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane"	"COc1ccc(OC)c(c1)C(Cc2ccnc3ccccc23)Cc4ccnc5ccccc45"	0	""	""	1	1	378782	""
"661960"	"661960"	"2,6,13,17-Tetrazaheptacyclo[15.12.0.01,25.03,16.05,14.07,12.018,23]nonacosa-3,5,7,9,11,13,15,18(23)-octaene"	"C1CCC23N=C4C=C5Nc6ccccc6N=C5C=C4N2C7=C(CCCC7)CC3C1"	0	""	""	1	1	378784	""
"661967"	"661967"	""	"CCOC(=O)[C@@]12C[C@@](O[Si](C)(C)C)(\C=C\OC)[C@]13N(CCc4cc(OC)c(OC)cc34)C(=O)C2O"	0	NA	NA	1	1	NA	""
"661968"	"661968"	""	"OC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2c3ccccc13)NC(=O)CCC(NC(=O)OCC4c5ccccc5c6ccccc46)C(=O)O"	0	NA	NA	1	1	NA	""
"661969"	"661969"	"Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[3-(9H-fluoren-9-ylmethoxycarbonylsulfanyl)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate"	"COC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2c3ccccc13)NC(=O)CCC(NC(=O)OCC4c5ccccc5c6ccccc46)C(=O)OC"	0	""	""	1	1	378793	""
"662116"	"662116"	"4H-Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5,6..."	"NC1CC(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	2	NA	""
"662119"	"662119"	"N-(3-Bromo-6-oxo-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)NC1CC(=O)c2csc(Br)c12"	0	""	""	1	1	378798	""
"662120"	"662120"	"4H-Cyclopenta[c]thiophene-4-one, 6-amino- 1,3-dichloro-5..."	"NC1CC(=O)c2c(Cl)sc(Cl)c12"	0	NA	NA	2	2	NA	""
"662123"	"662123"	"N-[3-Bromo-6-oxo-1-(4-phenylpiperidin-1-yl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoroacetamide"	"FC(F)(F)C(=O)NC1CC(=O)c2c(sc(Br)c12)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	378804	""
"662124"	"662124"	"Acetamide, N-(1,3,5-tribromo-5,6-dihydro-4-oxo-4H-cyclop..."	"FC(F)(F)C(=O)N[C@H]1C(Br)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	2	1	NA	""
"662126"	"662126"	"N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide"	"O\N=C/1\CC(NC(=O)C(F)(F)F)c2c(Br)sc(Br)c12"	0	""	""	1	1	5880315	""
"662133"	"662133"	"Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-"	"COc1cc2OC3(CCCCC3)C=Cc2c4N(C)c5ccccc5C(=O)c14"	0	""	""	2	2	378815	""
"662158"	"662158"	"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-y"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6cccc(Cl)c6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	1	1	6712240	""
"662160"	"662160"	"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccc(F)cc7)C(=C1C5(C)C)C"	0	""	""	2	2	6712242	""
"662161"	"662161"	"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] "	"CCCCOC(=O)NC(C(O)C(=O)OC1C[C@@]2(O)C(OC(=O)c3ccccc3)C4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	""	""	2	2	6712243	""
"662189"	"662189"	"2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol"	"COc1ccc2nc3cccc(c3c(NCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	378849	""
"662191"	"662191"	"9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"COc1ccc2nc3cccc(c3c(NCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	378851	""
"662192"	"662192"	"9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"CCN(CC)CCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	378852	""
"662193"	"662193"	"Acridine-9-amine, N-(3-aminopropyl)-1-nitro-"	"NCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	378853	""
"662199"	"662199"	"17-n-Propylamino-geldanamycin"	"CCCNC1=C2CC(C)CC(OC)[C@@H](O)[C@H](C)\C=C(/C)\C(OC(=O)N)C(OC)\C=C/C=C(\C)/C(=O)NC(=CC1=O)C2=O"	0	""	""	3	2	5472884	""
"662251"	"662251"	"Benzothiazole,2-(4-N-N-Dimethylamino-3-methoxystyryl),Me..."	"COc1cc(\C=C\c2sc3ccccc3[n+]2C)ccc1N(C)C"	0	""	""	2	2	6518097	""
"662252"	"662252"	"Ammonia; dichloroplatinum; quinoline"	"[NH3+][Pt+2]([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	""	""	1	1	499153	""
"662253"	"662253"	"Ammonia; dichloroplatinum; isoquinoline"	"[NH3+][Pt+2]([ClH-])([ClH-])[n+]1ccc2ccccc2c1"	0	""	""	2	1	499154	""
"662254"	"662254"	""	"[NH3+][Pt+4]([O-])([O-])([ClH-])([ClH-])[n+]1cccc2ccccc12"	0	NA	NA	1	1	NA	""
"662258"	"662258"	""	"CS(=O)(C)[Pt+2]([NH3+])([ClH-])[n+]1ccc2ccccc2c1.[O-][N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"662259"	"662259"	""	"[NH3+][Pt+4]([O-])([ClH-])([ClH-])([ClH-])[n+]1cccc2C=C=C=Cc12"	0	NA	NA	1	1	NA	""
"662302"	"662302"	"4-Nitro-9H-thioxanthen-9-one 10,10-dioxide"	"[O-][N+](=O)c1cccc2C(=O)c3ccccc3S(=O)(=O)c12"	0	""	""	2	2	378894	""
"662303"	"662303"	"(-)-ent-Bullatacin"	"CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@@H](O)CCCCCCCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	1	1	6712244	""
"662304"	"662304"	"Fluoroanilino-azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)[C@H](Nc4ccc(F)cc4)c5c2[nH]c6ccccc56"	0	""	""	1	1	378896	""
"662305"	"662305"	"Cyanoanilino-azatoxin"	"COc1cc(cc(OC)c1O)C2N3[C@H](COC3=O)[C@H](Nc4ccc(cc4)C#N)c5c2[nH]c6ccccc56"	0	""	""	2	2	378897	""
"662306"	"662306"	"Methyl-azatoxin"	"COc1cc(cc(OC)c1OC)C2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	""	""	3	2	378898	""
"662372"	"662372"	"2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine"	"CCCCCCOc1ccc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)cc1"	0	""	""	2	2	378901	""
"662375"	"662375"	"2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin"	"CC(C)(CO)NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	2	2	378904	""
"662376"	"662376"	"2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin"	"NC(=O)[C@H](Cc1ccc(O)cc1)NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	6712245	""
"662378"	"662378"	"2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)N[C@@H](Cc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	1	1	6712246	""
"662380"	"662380"	"2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide"	"C[C@H](NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O)C(=O)Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	6712248	""
"662381"	"662381"	"7-Chloro-6-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3ncccc3C2=O"	0	""	""	3	1	378910	""
"662382"	"662382"	"6-Chloro-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione"	"OCCOCCN1CCN(CC1)C2=C(Cl)C(=O)c3cccnc3C2=O"	0	""	""	1	1	378911	""
"662383"	"662383"	"2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthoquinone"	"CC1=C(Br)C(=O)c2c(O)ccc(O)c2C1=O"	0	""	""	3	3	378912	""
"662424"	"662424"	"2-(4-N-N-Dimethylaminostyryl)-3-methyl Iodide"	"CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1"	0	NA	NA	2	2	NA	""
"662425"	"662425"	"3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione"	"CC1(C)COC2=C(C1)C(=O)c3ccccc3C2=O"	0	""	""	2	1	178515	""
"662440"	"662440"	"LS-128970"	"COC(=O)C1=Nc2c(C)nn(c3ccccc3)c2N=C(C1)c4ccccc4"	0	""	""	1	1	378932	""
"662457"	"662457"	"N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide"	"CC(NNC(=O)CC(=O)N(C(=O)c1ccccc1)c2ccc(Cl)cc2)C3=Cc4ccccc4OC3=O"	0	""	""	1	1	378949	""
"662553"	"662553"	"Pyrazolo[3,4-d][1]benzazepin-5-one, 1,4,5,6-tetrahydro-3..."	"Cc1nn(c2ccccc2)c3c1CC(=O)Nc4ccccc34"	0	""	""	3	2	378957	"106148112"
"662561"	"662561"	"Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1c(Br)c(c(Br)n1C)c2ccc(OC)cc2"	0	""	""	2	1	378969	""
"662564"	"662564"	"1H-Pyrrole-2-carboxylic acid, 4-(4-bromophenyl)-3,5-dibr..."	"CCOC(=O)c1[nH]c(Br)c(c1Br)c2ccc(Br)cc2"	0	""	""	2	2	378972	""
"662565"	"662565"	"Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1[nH]c(Br)c(c1Br)c2ccc(OC)c(OC)c2"	0	""	""	3	3	378973	""
"662566"	"662566"	"LPOQYIAWZPQUSJ-UHFFFAOYSA-N"	"CCOC(=O)c1ccc([nH]1)c2ccc(Cl)cc2"	0	""	""	1	1	378974	""
"662569"	"662569"	"Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(OC)cc2)c([N+](=O)[O-])n1C"	0	""	""	1	1	378977	""
"662571"	"662571"	"Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(Cl)cc2)c([N+](=O)[O-])n1C"	0	""	""	1	1	378979	""
"662572"	"662572"	"Ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(OC)cc2)c([nH]1)[N+](=O)[O-]"	0	""	""	2	1	378980	""
"662573"	"662573"	"Ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(c2ccc(cc2)[N+](=O)[O-])c([nH]1)[N+](=O)[O-]"	0	""	""	1	1	378981	""
"662574"	"662574"	"GHCXKSUSPXYUSB-UHFFFAOYSA-N"	"CCOC(=O)c1c(c(C)cn1C)c2ccccc2"	0	""	""	1	1	378982	""
"662579"	"662579"	"3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid"	"CCC1=C(C(=O)O)c2c(oc3cc4ccccc4cc23)C(=O)N1"	0	""	""	1	1	378987	""
"662774"	"662774"	"1-[(2-Cyanoethyl)(methyl)amino]-2-diazonio-3-oxobut-1-en-1-olate"	"CN(CCC#N)C(=O)C(=[N+]=[N-])C(=O)C"	0	""	""	1	1	379006	""
"662775"	"662775"	"4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate"	"[N-]=[N+]=C(C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	379008	""
"662778"	"662778"	"5-(Benzoyloxy)-7-methyl-3-octynyl benzoate"	"CC(C)CC(OC(=O)c1ccccc1)C#CCCOC(=O)c2ccccc2"	0	""	""	1	1	379014	""
"662781"	"662781"	"Benzene, 1,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis"	"O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	3	3	5468033	""
"662784"	"662784"	"[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene"	"O=S(\C=C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	2	2	5468034	""
"662788"	"662788"	"2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone"	"C=C=C(CC1CCCCC1=O)S(=O)(=O)c2ccccc2"	0	""	""	2	2	379026	""
"662794"	"662794"	"2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline"	"COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC"	0	""	""	2	1	379032	""
"662797"	"662797"	"1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 4-amino-2,3-dih..."	"NC1=Nc2ncccc2C(=O)NN1"	0	""	""	1	1	379035	""
"662809"	"662809"	"3,6-dibromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Br)(CCl)C(=C)Cl"	0	""	""	4	2	379036	""
"662816"	"662816"	"6,7-dibromo-3,7-dimethyl-2-octenyl acetate"	"CC(=O)OC\C=C(/C)\CCC(Br)C(C)(C)Br"	0	""	""	1	1	5468040	""
"662825"	"662825"	"HALOMON (RACEMIC)"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	5	4	NA	"58086843"
"663008"	"663008"	"[6-[[(8R,10S)-3-Acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-y"	"COC(C)(C)C(O)C(O)CC(C)C1CC=C2C1(C)CCC3[C@@]4(C)CCC(OC(=O)C)C(C)(C)C4CC(OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	1	1	6712254	""
"663245"	"663245"	""	"COC(=O)\C=C(/S\C=C(/N1CCn2c1c(C(=O)OC)c(C(=O)OC)c2C(=O)c3ccccc3)\c4ccccc4)\C(=O)OC"	0	NA	NA	1	1	NA	""
"663249"	"663249"	"Triapine"	"NC(=S)N\N=C\c1ncccc1N"	0	"Dr|CC"	"Clinical trial"	2	2	NA	"143621356"
"663281"	"663281"	"6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione"	"ClC1=C(N2CCOCC2)C(=O)c3cccnc3C1=O"	0	""	""	2	2	379074	""
"663284"	"663284"	"7-N-(Aminoethyl-4-morpholino)-6-chloro-5,8-quinolinedione"	"ClC1=C(NCCN2CCOCC2)C(=O)c3ncccc3C1=O"	0	""	""	2	1	379077	"383907435"
"663285"	"663285"	"6-N-(Aminoethyl-2-(4-morpholino))-6-chloro-5,8-quinoline..."	"ClC1=C(NCCN2CCOCC2)C(=O)c3cccnc3C1=O"	0	""	""	1	1	379078	""
"663286"	"663286"	"7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione"	"FCCNC1=C(Cl)C(=O)c2ncccc2C1=O"	0	""	""	1	1	379079	""
"663287"	"663287"	"7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione"	"ClC1=C(N2CCN(CC2)c3ccccn3)C(=O)c4cccnc4C1=O"	0	""	""	2	2	379080	""
"663289"	"663289"	"2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine"	"Oc1ccc(O)c2C(=O)C(=C(Cl)C(=O)c12)NCCCN3CCOCC3"	0	""	""	1	1	379081	""
"663290"	"663290"	"2-chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthaza..."	"OC[C@H]1CCCN1C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	1	379082	""
"663291"	"663291"	"2-chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthaza..."	"OC[C@@H]1CCCN1C2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O"	0	""	""	2	2	379083	""
"663292"	"663292"	"6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione"	"FCCNC1=C(Cl)C(=O)c2cccnc2C1=O"	0	""	""	1	1	379084	""
"663309"	"663309"	"Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate"	"CCOC(=O)\C=C\CC(C)(C)COC(=O)C"	0	""	""	1	1	5468052	""
"663315"	"663315"	"Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ..."	"COc1ccc(c(C[N+](C)(CCCl)CCCl)c1)[N+](=O)[O-]"	0	""	""	1	1	379103	""
"663321"	"663321"	"3-Demethyl-3-ethoxycarbonylthiocolchicine"	"CCOC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	3	379107	""
"663322"	"663322"	"3-Demethyl-3-butyrylthiocolchicine"	"CCCC(=O)Oc1cc2CCC(NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	3	379108	""
"663323"	"663323"	"3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine"	"CCOC(=O)Oc1cc2CCC(NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	3	2	379109	""
"663328"	"663328"	"5,14-Dimethylnaphtho[2',3':4,5]imidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2c(C)n3c4cc5ccccc5cc4nc13"	0	""	""	1	1	379114	""
"663331"	"663331"	"11-Methylbenzimidazo[1,2-b]isoquinoline"	"Cc1c2ccccc2cc3nc4ccccc4n13"	0	""	""	1	1	379117	""
"663334"	"663334"	"7-Methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole"	"COc1ccc2[nH]c3c(C)c4cnccc4c(C)c3c2c1"	0	""	""	1	1	379120	""
"663336"	"663336"	""	"Cc1c2cnccc2c(C)c3c4cc(O)ccc4[nH]c13"	0	""	""	1	1	379122	""
"663337"	"663337"	"5,11-Dimethyl-10H-pyrido[2,3-b]carbazol-7-ol"	"Cc1c2cccnc2c(C)c3[nH]c4ccc(O)cc4c13"	0	""	""	4	2	379123	""
"663408"	"663408"	"9-Chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one"	"CC1(C)Oc2cc(O)c3C(=O)c4cc(Cl)ccc4Nc3c2C=C1"	0	""	""	1	1	5468057	""
"663422"	"663422"	"7-Nitro-1-benzoxepine-3,5-dione"	"[O-][N+](=O)c1ccc2OCC(=O)CC(=O)c2c1"	0	""	""	1	1	379143	""
"663567"	"663567"	"15-tert-butyl-20-deoxyvinblastine"	"CCC1CN2CCc3c([nH]c4ccccc34)[C@@](C[C@@H](C2)[C@@H]1C(C)(C)C)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(C(=O)OC)C8(CC)C=CCN9CCC67C89)C(=O)OC"	0	NA	NA	2	2	NA	""
"663570"	"663570"	"1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate"	"CCOC(=O)C12CCC(O1)(C(=C2C(=O)OC)C(=O)OC)c3c(C)cccc3C"	0	""	""	2	2	379156	""
"663586"	"663586"	"1-(1-Benzoylpyrrolidin-2-yl)-2-diazonioethenolate"	"[N-]=[N+]=CC(=O)C1CCCN1C(=O)c2ccccc2"	0	""	""	1	1	379174	""
"663589"	"663589"	"1-[(Cyanomethyl)amino]-2-diazonio-3-oxobut-1-en-1-olate"	"CC(=O)C(=[N+]=[N-])C(=O)NCC#N"	0	""	""	1	1	379180	""
"663592"	"663592"	"Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate"	"COC(=O)CCC1=NCC(C)(C)O1"	0	""	""	1	1	379184	""
"663593"	"663593"	"Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate"	"COC(=O)c1ccccc1C#CC#Cc2ccccc2C(=O)OC"	0	""	""	1	1	379185	""
"663597"	"663597"	"3-Allyl-1-benzyl-3-methyl-2-piperidinone"	"CC1(CC=C)CCCN(Cc2ccccc2)C1=O"	0	""	""	1	1	379189	""
"663623"	"663623"	"LS-155333"	"Clc1nc(Cl)nc(Nc2cccc3ccccc23)n1"	0	""	""	2	1	35300	""
"663624"	"663624"	""	"COc1ccc(NC2=NCCO2)c3ccccc13"	0	NA	NA	1	1	NA	""
"663627"	"663627"	"LS-152630"	"N#CSCC1COc2ccccc2O1"	0	""	""	1	1	379213	""
"663663"	"663663"	"1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	379249	""
"663664"	"663664"	"3-[(E)-2-Nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole"	"[O-][N+](=O)\C=C\c1cn(CCCCCCCCn2cc(\C=C\[N+](=O)[O-])c3ccccc23)c4ccccc14"	0	""	""	1	1	5468067	""
"663666"	"663666"	"5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone"	"O=C1C=CC(=O)c2c1c3C(=O)c4ccccc4C(=O)c3c5c6ccccc6[nH]c25"	0	""	""	1	1	379252	""
"663668"	"663668"	""	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(Cl)cc4)c5[nH]c6ccccc6c25"	0	NA	NA	1	1	NA	""
"663774"	"663774"	"5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2ccccc2)C#N"	0	""	""	1	1	379268	""
"663777"	"663777"	"5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2ccc(Cl)cc2)C#N"	0	""	""	1	1	379271	""
"663778"	"663778"	"5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile"	"NC1=C(NC(=O)N1c2cccc3ccccc23)C#N"	0	""	""	1	1	379272	""
"663782"	"663782"	"(3Z)-3-[(3,4-Dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione"	"COc1ccc(\C=C/2\C(=O)C(N(C2=O)c3ccccc3)c4ccccc4)cc1OC"	0	""	""	1	1	5468074	""
"663790"	"663790"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	379284	""
"663791"	"663791"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	379285	""
"663792"	"663792"	"[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(CC1OC(=O)CCC)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	379286	""
"663918"	"663918"	""	"CC1(C)N=C(\C(=[N+](\[O-])/C(=O)c2ccc(F)cc2)\Cl)C(C)(C)N1O"	0	NA	NA	1	1	NA	""
"663921"	"663921"	"TMIO"	"CC1=NC(C)(C)[N+](=C1)[O-]"	0	""	""	1	1	379378	""
"663925"	"663925"	"2,2,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol 3-oxide"	"CC1(C)N(O)C2(C)CCCCC2=[N+]1[O-]"	0	""	""	1	1	379383	""
"663926"	"663926"	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-"	"Oc1c(cc(c2cc(N3CCCCC3)c(O)c4ccccc24)c5ccccc15)N6CCCCC6"	0	""	""	1	1	379384	""
"663939"	"663939"	""	"CC1(C)N=C(\C(=[N+](\[O-])/C(=O)c2ccc(Cl)cc2)\Cl)C(C)(C)N1O"	0	NA	NA	1	1	NA	""
"663950"	"663950"	"C6H6N4O5"	"[O-][N+](=O)C1(CCCc2nonc12)[N+](=O)[O-]"	0	""	""	1	1	379408	""
"663954"	"663954"	"STK527948"	"Cc1onc(C)c1N=Nc2ccc3nonc3c2N"	0	""	""	1	1	379412	""
"663961"	"663961"	"STK834836"	"COC1(OC)C(O)CCc2c1no[n+]2[O-]"	0	""	""	1	1	379419	""
"663963"	"663963"	"4',4'-Dinitro-1'-oxidospiro[1,3-dioxolane-2,6'-5,7-dihydro-2,1,3-benzoxadiazol-1-ium]"	"[O-][N+](=O)C1(CC2(Cc3c1no[n+]3[O-])OCCO2)[N+](=O)[O-]"	0	""	""	1	1	379421	""
"663965"	"663965"	"STL321271"	"[O-][n+]1onc2CCc3nonc3c12"	0	""	""	1	1	379423	""
"663966"	"663966"	"7H-[1,2,3]Triazolo[4,5-e]-2,1-3-benzoxadiazole, 7-phenyl..."	"[O-][n+]1onc2c1ccc3nn(nc23)c4ccccc4"	0	""	""	3	3	379424	""
"663968"	"663968"	""	"CC(=O)O\N=C\1/C=Cc2c(no[n+]2[O-])C1=O"	0	NA	NA	1	1	NA	""
"663970"	"663970"	""	"COc1ccc(CNC(=N)N)c2ccccc12"	0	NA	NA	1	1	NA	""
"663979"	"663979"	"LS-87642"	"CCCCCCCCCCCC(=O)NCc1ccc(OC(=O)CCCCCCCCCCC)c(OC)c1"	0	""	""	2	2	379433	""
"663984"	"663984"	"MCK101562"	"Oc1ccc2ccccc2c1C=C(C#N)C#N"	0	""	""	2	1	58850	""
"663991"	"663991"	"11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate"	"COc1cc(CNC(=O)CCCCCCCCCCSC#N)ccc1O"	0	""	""	1	1	379443	""
"663992"	"663992"	"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone"	"OC(C1CCc2ccccc2C1=O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	379444	""
"663997"	"663997"	"2-[(2E)-2-(Dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol"	"CN(C)\N=C\1/C=C(C)CC(C)(C)C1C(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	9571443	""
"663998"	"663998"	"2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one"	"O=C1NC(=S)NN1C(=S)N2NC(=S)NC2=O"	0	""	""	1	1	3004933	""
"663999"	"663999"	"1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]propan-2-ol"	"Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)cc(CC(O)(C(F)(F)F)C(F)(F)F)n1"	0	""	""	1	1	379450	""
"664000"	"664000"	"Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate"	"COC(=O)CN1CCN(CC1)c2cccc3CCCCc23"	0	""	""	1	1	379451	""
"664004"	"664004"	"LS-19726"	"COc1ccc(OC)c(NC2=NCCO2)c1"	0	""	""	1	1	58910	""
"664017"	"664017"	"1'-Acetyl-2-methylspiro[3H-pyrrole-5,4'-3H-quinoline]-2',4-dione"	"CC(=O)N1C(=O)CC2(N=C(C)CC2=O)c3ccccc13"	0	""	""	1	1	379464	""
"664020"	"664020"	"(2E)-4-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole"	"[O-][N+](=O)c1ccc(CSC2=C(S\C(=C\3/SC(=C(S3)c4ccc(Cl)cc4)SCc5ccc(cc5)[N+](=O)[O-])\S2)c6ccc(Cl)cc6)cc1"	0	""	""	1	1	3004934	""
"664025"	"664025"	"6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid"	"OC(=O)COCC(=O)N(CCOCCN(Cc1ccccc1)C(=O)COCC(=O)O)Cc2ccccc2"	0	""	""	1	1	379471	""
"664150"	"664150"	"Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methy..."	"C[N+](CCCl)(CCCl)Cc1cccc2cccc(c12)[N+](=O)[O-]"	0	""	""	1	1	379487	""
"664161"	"664161"	"(1S,4As,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid"	"COc1cc(\C=C\C(=O)OCC23CC[C@]4(CCC(C)[C@H](C)C4C2=CCC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]35C)C(=O)O)ccc1O"	0	""	""	1	1	5459259	""
"664162"	"664162"	""	"COc1ccc(\C=N\NC(=N)NO)c(O)c1"	0	NA	NA	1	1	NA	""
"664164"	"664164"	""	"ONC(=N)N\N=C\c1cc(I)cc(I)c1O"	0	NA	NA	1	1	NA	""
"664165"	"664165"	""	"ONC(=N)N\N=C\c1cnc2cc(ccc2c1O)C(F)(F)F"	0	NA	NA	1	1	NA	""
"664167"	"664167"	"6-Methoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(OC)ccc3N2"	0	""	""	3	2	379510	""
"664168"	"664168"	"2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one"	"COc1ccc2NC(=CC(=O)c2c1)c3cccc(c3)N(C)C"	0	""	""	3	2	379511	""
"664169"	"664169"	"2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCOCC4"	0	""	""	3	3	379512	""
"664170"	"664170"	"2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)quinolin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCN(C)CC4"	0	""	""	3	3	379513	""
"664171"	"664171"	"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	379514	""
"664172"	"664172"	""	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N(C)C"	0	NA	NA	3	3	NA	""
"664173"	"664173"	"4-(1H)Quinolinone, 2-(3-methoxyphenyl)-6-(dimethylamino)-"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N(C)C"	0	NA	NA	3	3	NA	""
"664177"	"664177"	"LS-95858"	"C1CCc2cc(NC3=NCCO3)ccc2C1"	0	""	""	4	2	379519	""
"664180"	"664180"	""	"CCNc1cc2CCCN3CCCc(c1)c23"	0	NA	NA	1	1	NA	""
"664181"	"664181"	"LS-58067"	"OC(C1CCC(C1=O)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	379524	""
"664185"	"664185"	"N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine"	"CN1C=COC1N=C2CCCCC2"	0	""	""	1	1	379525	""
"664188"	"664188"	"Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate"	"O=C(NCCOC(=O)OCCNC(=O)NC1CCCCC1)NC2CCCCC2"	0	""	""	1	1	379526	""
"664190"	"664190"	"LS-95822"	"Cc1cc(NC2=NCCO2)c3CCCCc3c1C"	0	""	""	1	1	53736	""
"664193"	"664193"	"4,4,4-Trifluoro-3-hydroxy-1-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)butan-1-one"	"Cc1ccc(cc1[N+](=O)[O-])C(=O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	379529	""
"664206"	"664206"	"1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole"	"CSc1c(c2ccccc2n1C)S(=O)C"	0	""	""	1	1	379533	""
"664212"	"664212"	"Mitorubrinic acid"	"Cc1cc(O)cc(O)c1C(=O)O[C@]2(C)C(=O)C=C3C=C(OC=C3C2=O)\C=C\C(=O)O"	0	NA	NA	1	1	NA	""
"664213"	"664213"	"Chlorotetrangulol"	"Oc1cccc2C(=O)c3c(ccc4cc(CCl)cc(O)c34)C(=O)c12"	0	""	""	1	1	379538	""
"664214"	"664214"	"Hydroxymethoxytetrangulol"	"COc1cccc2C(=O)c3c(ccc4cc(CO)cc(O)c34)C(=O)c12"	0	""	""	2	2	379539	""
"664215"	"664215"	"Chloro-methoxy-tetrangulol"	"COc1cccc2C(=O)c3c(ccc4cc(CCl)cc(O)c34)C(=O)c12"	0	""	""	2	2	379540	""
"664217"	"664217"	"4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol"	"COC1(OC)C=CC(O)(C=C1)c2ccccc2C=C"	0	""	""	1	1	379541	""
"664221"	"664221"	"2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one"	"CCN(CC)CCOc1ccc(cc1)N2Cc3cc(OC)c(OC)cc3C2=O"	0	""	""	1	1	379545	""
"664228"	"664228"	"2-(4-Hydroxyphenyl)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione"	"COc1cc2C(=O)N(C(=O)c2cc1OC)c3ccc(O)cc3"	0	""	""	1	1	379552	""
"664231"	"664231"	"N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin"	"CCOCC(=O)N[C@H]1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	""	""	3	2	379556	""
"664238"	"664238"	"6-(3-Diethylaminopropylaminopropylamino)-8-methoxy-11-H-..."	"CCN(CC)CCCNc1nc2ccccc2c3[nH]c4ccc(OC)cc4c13"	0	NA	NA	1	1	NA	""
"664262"	"664262"	"1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione"	"OC(CC(=O)CCC(=O)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	379574	""
"664263"	"664263"	"LS-12875"	"COc1cc(ccc1OCc2ccccc2)C(C[N+](=O)[O-])SC(=O)C"	0	""	""	2	2	59622	""
"664264"	"664264"	"S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate"	"CC(=O)SC(C[N+](=O)[O-])c1ccc2OCOc2c1"	0	""	""	3	2	379575	""
"664266"	"664266"	"5-[1-(Benzylsulfanyl)-2-nitroethyl]-1,3-benzodioxole"	"[O-][N+](=O)CC(SCc1ccccc1)c2ccc3OCOc3c2"	0	""	""	2	2	379577	""
"664267"	"664267"	"N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide"	"COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O"	0	""	""	1	1	3004936	""
"664271"	"664271"	"4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile"	"CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	379582	""
"664277"	"664277"	"2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole"	"C1CN=C(O1)c2cccc3sccc23"	0	""	""	1	1	379587	""
"664279"	"664279"	"LS-20415"	"C1CN=C(Nc2cccc3cc4ccccc4cc23)O1"	0	""	""	1	1	379588	""
"664282"	"664282"	"N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine"	"CSc1nc(C)cc(n1)N(C)c2ccccc2"	0	""	""	1	1	379591	""
"664285"	"664285"	"LS-19886"	"C1CN=C(Nc2ccc3OCOc3c2)O1"	0	""	""	2	1	33632	""
"664290"	"664290"	"4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol"	"COc1ccc(cc1)C(O)CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	379596	""
"664303"	"664303"	"Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)-3-(2-qu..."	"CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	379602	""
"664304"	"664304"	"LS-149336"	"CCC(NC1=NCCO1)c2cccs2"	0	""	""	1	1	215268	""
"664311"	"664311"	"Benzothiazole, 2-[2,2-bis(trifluoromethyl)ethenyl]-5,6-d..."	"Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C"	0	""	""	4	2	379609	""
"664313"	"664313"	"LS-74476"	"OC(CC(=O)C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	59101	""
"664314"	"664314"	"Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester"	"CC(=O)OC12CC(OC1(CC(O2)(C(F)(F)F)C(F)(F)F)OC(=O)C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	379610	""
"664316"	"664316"	"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole"	"Cc1cc2oc(CC(C(F)(F)F)C(F)(F)F)nc2cc1C"	0	""	""	3	2	379612	""
"664323"	"664323"	"Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)- 3-[4-[..."	"CC(=O)OC(Cc1cc(C=C(C(F)(F)F)C(F)(F)F)cc(C)n1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	379616	""
"664334"	"664334"	""	"CS(=O)(=O)C(=Cc1ccccc1Cl)S(=O)(=O)C"	0	NA	NA	3	2	NA	""
"664342"	"664342"	"9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,6,8,9,9a-hexahydroxanthene-1,5-dione"	"CC1(C)CC(=O)C2=C(C1)C(C3C(=O)CC(C)(C)CC3(O)O2)c4ccccc4Cl"	0	""	""	2	2	379634	""
"664343"	"664343"	"(E,4Z)-6-(2,2-Dimethylcyclohexyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-2-ol"	"CC1(C)CCCCC1\C=C\C(=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\CC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	5807779	""
"664344"	"664344"	"3,3,7,7-Tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione"	"CC1(C)CC(=O)C2=C(C1)OC3=C(CC(C)(C)CC3=O)C2c4ccccc4[N+](=O)[O-]"	0	""	""	1	1	379636	""
"664345"	"664345"	"9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione"	"CC1(C)CC(=O)C2=C(C1)OC3=C(CC(C)(C)CC3=O)C2c4ccccc4Cl"	0	""	""	1	1	379637	""
"664401"	"664401"	"[(1S,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1"	"COc1ccc(cc1)[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]3C[C@@]4(O)C(OC(=O)c5ccccc5)C6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	""	""	2	2	379641	""
"664402"	"664402"	"[(1S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptad"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2C(OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)C(O)[C@@H](NC(=O)C(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	6712269	""
"664403"	"664403"	"[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2C(OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)C(O)[C@@H](NC(=O)CC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	""	""	2	2	6712270	""
"664404"	"664404"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h"	"CC(C)CC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	"TUBB"	""	2	2	6712271	""
"664408"	"664408"	"(5Z)-5-[Chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole"	"COc1ccc(cc1)N2N=NN(C(C)C)/C/2=C(/Cl)\c3nnnn3c4ccc(OC)cc4"	0	""	""	2	2	3004937	""
"664526"	"664526"	"5-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one"	"CCN(CC)CCC1CCCCN1CC(=O)N2C(C)CC(=O)Nc3ccccc23"	0	""	""	1	1	379649	""
"664529"	"664529"	"Otenzepad"	"CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24"	0	""	""	1	1	107867	""
"664530"	"664530"	"11-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one"	"CCN(CC)CCC1CCCCN1CC(=O)N2c3ccccc3NC(=O)c4ccccc24"	0	""	""	1	1	379652	""
"664541"	"664541"	""	"O\N=C\1/CSc2ccccc2C1"	0	NA	NA	1	1	NA	""
"664542"	"664542"	""	"Cl\C=C(\Cl)/CSC#N.Cl\C=C(/Cl)\CSC#N"	0	NA	NA	1	1	NA	""
"664550"	"664550"	"N-acetonyl-N'-(2,4-dinitroanilino)acetamidine"	"CC(=O)CN\C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])\C"	0	""	""	1	1	3840075	""
"664556"	"664556"	""	"ONC(=N)N\N=C\c1ccc2OCOc2c1"	0	NA	NA	1	1	NA	""
"664558"	"664558"	""	"COc1ccc(\C=N\NC(=N)NO)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"664559"	"664559"	""	"COc1cc(OC)c(\C=N\NC(=N)NO)c(OC)c1"	0	NA	NA	1	1	NA	""
"664563"	"664563"	"Ethyl 2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine-1-carboxylate"	"CCOC(=O)N1C(C)C(C)C=C(C)c2ccccc12"	0	""	""	1	1	379688	""
"664566"	"664566"	"1,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-1-benzazepine-2-carbonitrile"	"CC1CC(C)c2ccccc2N(C)C1C#N"	0	""	""	1	1	379691	""
"664570"	"664570"	"(6As,13aS)-6a,8-dimethyl-5,6a,7,8,13,13a-hexahydro-6H-quino[4,3-b][1]benzazepin-6-one"	"CC1C[C@@]2(C)[C@@H](Nc3ccccc13)c4ccccc4NC2=O"	0	""	""	1	1	379697	""
"664571"	"664571"	"(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione"	"CC1C[C@@]2(C)[C@@H](Nc3ccccc13)c4ccccc4NC2=S"	0	""	""	1	1	5468128	""
"664572"	"664572"	"(3S,5S)-1,3,5-Trimethyl-N-phenyl-4,5-dihydro-3H-1-benzazepin-2-imine"	"C[C@H]1C[C@H](C)c2ccccc2N(C)/C/1=N\c3ccccc3"	0	""	""	1	1	379699	""
"664579"	"664579"	"NNZSFLLODLQQBM-UHFFFAOYSA-"	"CC(=O)c1ccc(Br)cc1NC2=CC(=O)c3ncccc3C2=O"	0	""	""	1	1	379706	""
"664683"	"664683"	"(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide"	"[O-][N+](=O)c1cc(\C=N\C23CC4CC(CC(C4)C2)C3)ccc1Cl"	0	""	""	2	2	379708	""
"664684"	"664684"	"(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide"	"[O-][N+](=O)c1ccc(Cl)cc1\C=N\C23CC4CC(CC(C4)C2)C3"	0	""	""	3	3	379709	""
"664685"	"664685"	"4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole"	"Clc1cccc(Cl)c1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	379710	""
"664686"	"664686"	"4-(1-Adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1cc(ccc1Cl)C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	379711	""
"664687"	"664687"	"4-(1-Adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(Cl)cc1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	379712	""
"664690"	"664690"	"2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-"	"CN(C)C1COC2Cc3ccccc3C1O2"	0	""	""	1	1	379715	""
"664692"	"664692"	""	"CN(C)CC1COC2Cc3ccccc3C1O2"	0	NA	NA	1	1	NA	""
"664697"	"664697"	""	"NC(=O)\N=C\1/NCCC(=O)N1CCc2c[nH]c3ccccc23"	0	NA	NA	1	1	NA	""
"664700"	"664700"	"8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine"	"Nc1c(Cl)c(cc2OCCCCOc12)[N+](=O)[O-]"	0	""	""	1	1	379726	""
"664701"	"664701"	"7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene"	"[O-][N+](=O)c1cc2OCCCCOc2c3nonc13"	0	""	""	1	1	379727	""
"664704"	"664704"	"Kenpaullone"	"Brc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	2	2	3820	"142273209"
"664707"	"664707"	"1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid"	"CC(C)(C)CC(C)(C)N\C(=N\O)\N"	0	""	""	2	1	379731	""
"664710"	"664710"	"Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate"	"COC(=O)c1c(C(=O)OC)c2ccccn2c1c3cc(C)cc4C(=O)C=CC(=O)c34"	0	""	""	2	1	379736	""
"664716"	"664716"	"AO-476/14512029"	"Cc1nc2ccc(Cl)cc2c3SCCc13"	0	""	""	1	1	379744	""
"664718"	"664718"	"AE-406/41056984"	"Cc1nc2ccc(Cl)cc2c3N(CCc13)c4ccc(F)cc4"	0	""	""	1	1	379746	""
"664722"	"664722"	"AO-476/43415863"	"Cc1nn(C2=NC3=C(CCC3)C(=O)N2)c(O)c1CCO"	0	""	""	1	1	135409193	""
"664728"	"664728"	"7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine"	"CSc1nc(C)c2CCN(c3ccc(Cl)cc3)c2n1"	0	""	""	1	1	379756	""
"664729"	"664729"	"2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline"	"Cc1nc2ccccc2c(c1CCn3cccn3)n4cccn4"	0	""	""	1	1	379757	""
"664741"	"664741"	"(3E)-3-[9-Anthryl(chloro)methylene]isobenzofuran-1-one"	"Cl\C(=C/1\OC(=O)c2ccccc12)\c3c4ccccc4cc5ccccc35"	0	""	""	1	1	3004941	""
"664742"	"664742"	"(E/Z)-2-Iodo-2-(2'-methylcyclopentylidene)-1-phenylethanone"	"CC1CCC/C/1=C(/I)\C(=O)c2ccccc2"	0	""	""	1	1	3004942	""
"664870"	"664870"	""	"Oc1ccccc1\C=N\NC(=O)CC(=O)N(C(=O)c2ccccc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"664874"	"664874"	""	"[O-][N+](=O)c1cccc(c1)N=NC2C(=O)N(N=C2c3ccccc3)C(=O)CC(=O)N(C(=O)\C=C/c4ccccc4)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"664878"	"664878"	""	"COc1cc2CC\C(=C/c3ccccc3)\C(=O)c2cc1OC"	0	NA	NA	1	1	NA	""
"664885"	"664885"	""	"Nc1ncnc2c1ncn2C3CC(COS(=O)(=O)N)C=C3"	0	NA	NA	1	1	NA	""
"664890"	"664890"	""	"NS(=O)(=O)OCC1CC(C=C1)n2nnc3C(=N)NC=Nc23"	0	NA	NA	1	1	NA	""
"664904"	"664904"	"KEXRVLPIWYCEPT-UHFFFAOYSA-N"	"CC1=C(Nc2ccc(Cl)cc2C1=O)c3ccccc3"	0	""	""	1	1	379804	""
"664906"	"664906"	"6-Chloro-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile"	"Clc1ccc2NC(=C(C#N)C(=O)c2c1)c3ccccc3"	0	""	""	1	1	379806	""
"664946"	"664946"	"2-[(Z)-Bromoiodomethylidene]-1,8,8-trimethylbicyclo[3.2...."	"CC1(C)C2CCC1(C)\C(=C(/Br)\I)\C(=O)C2"	0	NA	NA	1	1	NA	""
"664947"	"664947"	"N'-carbazol-9-yl-N,N-dimethyl-formamidine"	"CN(C)\C=N\n1c2ccccc2c3ccccc13"	0	""	""	1	1	9556163	""
"664948"	"664948"	"LS-56135"	"FC1=C2CCCCCC2SC1(F)F"	0	""	""	1	1	58509	""
"664951"	"664951"	"LS-41225"	"CC12CCCCC1=C(F)C(F)(F)S2"	0	""	""	3	2	57787	""
"664958"	"664958"	"LS-70405"	"O\N=C/1\COC(C1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	5870156	""
"664975"	"664975"	"HGHUIMUBLYEQDT-UHFFFAOYSA-N"	"CC(NC1=NCCO1)c2ccccc2Cl"	0	""	""	1	1	379843	""
"664976"	"664976"	"hexachloro(tetrafluoro)[?]"	"FC1(F)SC2C(C1(F)F)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl"	0	""	""	2	2	379844	""
"664983"	"664983"	""	"CN1CCC(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(C)CC2)c3ccccc3)(CC1)c4ccccc4"	0	NA	NA	1	1	NA	""
"664993"	"664993"	"4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide"	"COc1ccccc1N2CCN(CCCNC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2"	0	""	""	1	1	379857	""
"665001"	"665001"	""	"COc1cc(cc(OC)c1OC)C2NCCC(N2)(c3ccccc3)c4ccccc4"	0	NA	NA	1	1	NA	""
"665004"	"665004"	"1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine"	"C(N1CCC(CC1)(Nc2ccccc2)c3nnnn3Cc4ccccc4)c5ccccc5"	0	""	""	1	1	379867	""
"665033"	"665033"	"6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione"	"ClC1=C(N2CCN(CC2)c3ccccn3)C(=O)c4ncccc4C1=O"	0	""	""	2	1	379873	""
"665076"	"665076"	"1,3-butadiene, 1,1,2,4,4-pentachloro-3-nitro-"	"[O-][N+](=O)C(=C(Cl)Cl)C(=C(Cl)Cl)Cl"	0	""	""	3	3	379884	""
"665078"	"665078"	""	"[O-][N+](=O)\C(=C/C(=C(Cl)Cl)[N+](=O)[O-])\Cl"	0	NA	NA	1	1	NA	""
"665079"	"665079"	"2-butene, 1,1,2,4,4-pentachloro-1,4-dinitro-"	"[O-][N+](=O)C(Cl)(Cl)\C=C(/Cl)\C(Cl)(Cl)[N+](=O)[O-]"	0	""	""	2	2	5755978	""
"665080"	"665080"	""	"[O-][N+](=O)\C(=C(\Cl)/SC#N)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	NA	""
"665084"	"665084"	"C14H20Cl3N3O2"	"[O-][N+](=O)C(=C(N1CCCCC1)N2CCCCC2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	379892	""
"665085"	"665085"	"4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine"	"[O-][N+](=O)C(=C(N1CCOCC1)N2CCOCC2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	379893	""
"665086"	"665086"	"C10H6Cl4N2O2"	"[O-][N+](=O)\C(=C(/Nc1ccccc1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	3004946	""
"665087"	"665087"	"1-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]piperidine"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	3004947	""
"665088"	"665088"	"4-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]morpholine"	"[O-][N+](=O)\C(=C(/N1CCOCC1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	2	2	3004948	""
"665089"	"665089"	"2-[[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol"	"OCCN\C(=C(\Cl)/[N+](=O)[O-])\C(=C(Cl)Cl)Cl"	0	""	""	4	4	3004949	""
"665092"	"665092"	""	"CC(C)(C)NC(=C(\C=C(\Cl)/[N+](=O)[O-])[N+](=O)[O-])NC(C)(C)C"	0	NA	NA	1	1	NA	""
"665093"	"665093"	"1-[(3Z)-4-Chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine"	"[O-][N+](=O)\C(=C\C(=C(N1CCCCC1)N2CCCCC2)[N+](=O)[O-])\Cl"	0	""	""	1	1	1550318	""
"665094"	"665094"	"4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine"	"[O-][N+](=O)\C(=C\C(=C(N1CCOCC1)N2CCOCC2)[N+](=O)[O-])\Cl"	0	""	""	1	1	1423778	""
"665095"	"665095"	"1,1,2-Trichloro-3-nitro-4,4-bis(1H-benzotriazole-1-yl)-1,3-butadiene"	"[O-][N+](=O)C(=C(n1nnc2ccccc12)n3nnc4ccccc34)C(=C(Cl)Cl)Cl"	0	""	""	3	1	379903	""
"665097"	"665097"	"1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole"	"[O-][N+](=O)C(=C(n1nnc2ccccc12)n3nnc4ccccc34)C=C(n5nnc6ccccc56)n7nnc8ccccc78"	0	""	""	1	1	379905	""
"665098"	"665098"	"1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine"	"[O-][N+](=O)\C(=C(/SCc1ccccc1)\N2CCCCC2)\C(=C(Cl)Cl)Cl"	0	""	""	1	1	1550320	""
"665101"	"665101"	""	"[O-][N+](=O)\C(=C(\Cl)/SCc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	NA	""
"665102"	"665102"	"1,3-Butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-"	"[O-][N+](=O)\C(=C(\Cl)/Sc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	1	1	NA	""
"665103"	"665103"	"Benzene, 1,1'-[(3,4,4-trichloro-2-nitro- 1,3-butadienyli..."	"[O-][N+](=O)C(=C(Sc1ccccc1)Sc2ccccc2)C(=C(Cl)Cl)Cl"	0	""	""	3	3	379911	"151052732"
"665104"	"665104"	"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene"	"[O-][N+](=O)\C(=C(/Sc1ccccc1)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	1	1	1550321	""
"665105"	"665105"	"CBDivE_006924"	"[O-][N+](=O)C(=C1Nc2ccccc2N1)C(=C(Cl)Cl)Cl"	0	""	""	1	1	3106764	""
"665111"	"665111"	"4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole"	"CCOc1snc(c1Cl)C(Cl)(Cl)Cl"	0	""	""	1	1	379919	""
"665125"	"665125"	"N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline"	"C(=N\c1ccc(cc1)c2cc(nc3ccc4ccccc4c23)c5ccccc5)/c6ccccc6"	0	""	""	1	1	379933	""
"665128"	"665128"	"4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone"	"CN(C)c1ccc(cc1)c2cc(c3ccc(NCCC(=O)C)cc3)c4c(ccc5ccccc45)n2"	0	""	""	2	2	379936	""
"665143"	"665143"	"10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione"	"O=C1CCCC2=C1CC3=C(CCCC3=O)N2c4ccc(cc4)c5ccccc5"	0	""	""	2	1	379951	""
"665144"	"665144"	"2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile"	"ClC1=C(COc2ccccc12)c3nc(C#N)c(C#N)[nH]3"	0	""	""	1	1	379952	""
"665155"	"665155"	"N-Methyl-bis,3,3'-(2-nitroimidazol-1H-yl)propylamine"	"CN(CCCn1ccnc1[N+](=O)[O-])CCCn2ccnc2[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"665284"	"665284"	"HTS001086"	"CN1c2ccccc2C(=O)NC13CCNCC3"	0	""	""	1	1	379977	""
"665288"	"665288"	""	"Fc1ccc(cc1)C(=O)CCCc2cccc3[nH]c4CCN(Cc5ccccc5)Cc4c23"	0	NA	NA	2	2	NA	""
"665299"	"665299"	"N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine"	"C(N1CCC(CC1)(Nc2ccccc2)C#CC3(CCN(Cc4ccccc4)CC3)Nc5ccccc5)c6ccccc6"	0	""	""	4	3	379997	""
"665301"	"665301"	""	"COc1ccc2c3CN(Cc4ccccc4)CCc3[nH]c2c1"	0	NA	NA	1	1	NA	""
"665306"	"665306"	""	"Fc1ccc(cc1)C(=O)CCCN2CCc3[nH]c4cc(F)ccc4c3C2"	0	NA	NA	1	1	NA	""
"665309"	"665309"	""	"COc1cc2c3CN(Cc4ccccc4)CCc3[nH]c2c(OC)c1OC"	0	NA	NA	1	1	NA	""
"665313"	"665313"	"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione"	"CN1C(=O)N(c2ccccc2)C3(CCN(CC4COc5ccccc5O4)CC3)C1=O"	0	""	""	1	1	380019	""
"665329"	"665329"	"LS-89170"	"CC#CC(O)(C(=O)OC1CCN(C)C1)c2ccccc2"	0	""	""	1	1	58826	""
"665332"	"665332"	"LS-52088"	"CN1CCC(CC1)(OC(=O)Oc2ccccc2)c3ccccc3"	0	""	""	1	1	58324	""
"665335"	"665335"	"LS-154756"	"CN1CN(c2ccccc2)C3(CCN(Cc4csc5ccccc45)CC3)C1=O"	0	""	""	1	1	380039	""
"665341"	"665341"	"LS-154755"	"CN1CN(c2ccccc2)C3(CCN(CCc4csc5ccccc45)CC3)C1=O"	0	""	""	1	1	380044	""
"665343"	"665343"	"(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate"	"CC#CC(O)(C(=O)OCC1=CCCN(C)C1)c2ccccc2"	0	""	""	1	1	380047	""
"665348"	"665348"	"LS-95062"	"Oc1ccc(\C=C\2/CCc3ccccc3C2=O)cc1"	0	""	""	2	2	5468147	""
"665349"	"665349"	""	"[O-][N+](=O)c1ccc2CC\C(=C/c3ccccc3)\C(=O)c2c1"	0	NA	NA	3	2	NA	""
"665350"	"665350"	""	"Oc1ccc(\C=C\2/CCc3ccc(cc3C2=O)[N+](=O)[O-])cc1"	0	NA	NA	3	3	NA	""
"665351"	"665351"	"1(2H)-Naphthalenone, 2-[[4-(diethylamino)phenyl]methylen..."	"CCN(CC)c1ccc(\C=C\2/CCc3ccc(cc3C2=O)[N+](=O)[O-])cc1"	0	NA	NA	2	2	NA	""
"665352"	"665352"	""	"[O-][N+](=O)c1ccc2CC\C(=C/c3cccc4ccccc34)\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"665364"	"665364"	"4-Quinolinamine, 7-chloro-N-[4-(3-phenyloxaziridinyl) bu..."	"Clc1ccc2c(NCCCCN3OC3c4ccccc4)ccnc2c1"	0	""	""	3	2	380063	""
"665368"	"665368"	"STK493357"	"Brc1ccc(cc1)C(=O)NCCN2CCCCC2"	0	""	""	1	1	380066	""
"665369"	"665369"	""	"Brc1ccc(CCNCCN2CCCCC2)cc1"	0	NA	NA	1	1	NA	""
"665373"	"665373"	""	"CCNCCNC(=O)c1ccc(I)cc1"	0	NA	NA	1	1	NA	""
"665378"	"665378"	"5-Methoxy-2-(1-naphthylmethylene)-1-indanone"	"COc1ccc2C(=O)\C(=C\c3cccc4ccccc34)\Cc2c1"	0	""	""	1	1	5468151	""
"665379"	"665379"	""	"COc1cc(\C=C\2/CCc3ccccc3C2=O)ccc1O"	0	NA	NA	1	1	NA	""
"665484"	"665484"	"5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccccc1C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	3	2	380086	""
"665485"	"665485"	"1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-on..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	380087	"191023242"
"665487"	"665487"	"9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccccc1C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	380089	""
"665488"	"665488"	"Neuro_000389"	"COc1cc(cc(OC)c1OC)C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	4	2	380090	""
"665489"	"665489"	"4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone"	"COC1=C(C(c2cc(OC)c(OC)c(OC)c2)c3cc4OCOc4cc3OC)C(=O)OC1"	0	""	""	2	2	380091	""
"665490"	"665490"	"9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1ccc(C2C3=C(COC3=O)Oc4cc5OCOc5cc24)c(OC)c1"	0	""	""	1	1	380092	""
"665491"	"665491"	"8-(2,4-Dimethoxyphenyl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one"	"COc1ccc(C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24)c(OC)c1"	0	""	""	3	3	380093	""
"665492"	"665492"	"Neuro_000390"	"O=C1OCC2=C1C(c3ccc4OCOc4c3)c5cc6OCOc6cc5O2"	0	""	""	3	2	380094	""
"665493"	"665493"	"Neuro_000391"	"COc1cccc(c1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	4	2	380095	""
"665496"	"665496"	"8-(1,3-Benzodioxol-5-yl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one"	"COC12COC(=O)C1C(c3ccc4OCOc4c3)c5cc6OCOc6cc5O2"	0	""	""	3	3	380098	""
"665497"	"665497"	"Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-..."	"COc1ccc(cc1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	380099	""
"665498"	"665498"	"9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"Clc1ccc(cc1)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	380100	""
"665499"	"665499"	"9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one"	"COc1cccc(C2C3C(COC3=O)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	380101	""
"665500"	"665500"	"Neuro_000393"	"COc1cc(cc(OC)c1OC(=O)C)C2C3C(=O)OCC3(OC)Oc4cc5OCOc5cc24"	0	""	""	3	3	380102	""
"665514"	"665514"	""	"CC1=Nc2ccc(Br)cc2C(=O)N1c3ccc(NC4OCC(O)C(O)C4O)cc3"	0	NA	NA	1	1	NA	""
"665517"	"665517"	"Quinazolin-4(3H)-one, 6,8-dibromo-2-methyl- 3-[2-(D-xylo..."	"CC1=Nc2c(Br)cc(Br)cc2C(=O)N1c3ccccc3NC4OCC(O)C(O)C4O"	0	NA	NA	2	2	NA	""
"665522"	"665522"	"6-Chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	"[O-][N+](=O)c1ccccc1S(=O)(=O)N2CCCc3cc(Cl)ccc23"	0	""	""	2	2	380120	""
"665523"	"665523"	"6-Methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline"	"COc1ccc2N(CCCc2c1)S(=O)(=O)c3ccccc3[N+](=O)[O-]"	0	""	""	4	4	380121	""
"665524"	"665524"	"6-Chloro-1-[(4-chloro-2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline"	"[O-][N+](=O)c1cc(Cl)ccc1S(=O)(=O)N2CCCc3cc(Cl)ccc23"	0	""	""	1	1	380122	""
"665529"	"665529"	"4-Demethylcalycopterone"	"COC1=C(OC)[C@]2(OC)c3c(O)c(OC)c4O[C@H](C[C@H](O)c4c3O[C@@]25O[C@H](CC=C5C1=O)c6ccccc6)c7ccccc7"	0	NA	NA	2	1	NA	""
"665533"	"665533"	"6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene"	"CC(C)(Br)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	380127	""
"665534"	"665534"	"5-Quinolinesulfonic acid, 7,7'-[1,2-ethenediylbis[(3-sul..."	"[Na+].Oc1c(cc(c2cccnc12)S(=O)(=O)O)C(=O)Nc3ccc(\C=C\c4ccc(NC(=O)c5cc(c6cccnc6c5O)S(=O)(=O)O)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O"	0	NA	NA	3	2	NA	"182186216"
"665549"	"665549"	"Azoxydapsone {1,2-bis-[4-(4'-aminophenylsulfonylphenyl)]..."	"Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N=[N+]([O-])c3ccc(cc3)S(=O)(=O)c4ccc(N)cc4"	0	""	""	2	1	380146	""
"665564"	"665564"	"NCS-665564"	"CC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c4ccccc4"	0	""	""	2	2	380161	""
"665601"	"665601"	"dibromo[?]diol"	"Oc1c2CCc3cc(Br)cc(CCc1cc(Br)c2)c3O"	0	""	""	1	1	380163	""
"665602"	"665602"	"Pyrimidine-5-carboxylic acid, 2-amino-4-hendecyl- 1,4-di..."	"CCCCCCCCCCCC1N=C(N)NC(=C1C(=O)OC)CCCO"	0	""	""	2	2	380164	""
"665603"	"665603"	"Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	"CCCCCCCCCCCCC1N=C(N)N2CCCC2=C1C(=O)OC"	0	""	""	2	2	380165	""
"665604"	"665604"	"Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate"	"CCCCCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)OC"	0	""	""	2	2	380166	""
"665605"	"665605"	"Methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate"	"COC(=O)CC1OOC(C)(OC)C=C1"	0	""	""	1	1	380167	""
"665614"	"665614"	"o-Xylenebis-(triphenylphosphonium bromide)"	"C(c1ccccc1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	380170	"1519466"
"665615"	"665615"	"1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-"	"OC(=O)C12C3CCC(CC3)C1(C4CCC2C4)C(=O)O"	0	""	""	1	1	380172	""
"665622"	"665622"	"Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydro..."	"O=C1C(CN2CCCC2)CCCC1CN3CCCC3"	0	NA	NA	2	2	NA	""
"665624"	"665624"	""	"O=C(N\N=C\1/CCc2ccccc12)N\N=C\3/CCc4ccccc34"	0	NA	NA	1	1	NA	""
"665625"	"665625"	""	"O=C1C(CN2CCCCC2)CCC1CN3CCCCC3"	0	NA	NA	3	2	NA	""
"665626"	"665626"	"(E)-3-(3,4-Dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide"	"[Br-].CC[N+]1(C)CCC(O)(\C=C\c2ccc(Cl)c(Cl)c2)C(C1)C(=O)\C=C\c3ccc(Cl)c(Cl)c3"	0	""	""	2	1	5468156	""
"665629"	"665629"	""	"CC(C)\C(=N/NC(=S)NN)\C=C\c1ccccc1"	0	NA	NA	2	2	NA	""
"665630"	"665630"	""	"CC(C)\C(=N/NC(=S)NN)\C=C\c1ccc(Cl)cc1"	0	NA	NA	1	1	NA	""
"665640"	"665640"	"1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine"	"CCCCCCCCCCCOCCC1C(OC2OC(C)(C)OC12)C(C)OCCN3CCCC3"	0	""	""	3	1	380196	""
"665659"	"665659"	"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine"	"CCCCCCCCCCCCOC1C(COCCN2CCCCC2)OC3OC(C)(C)OC13"	0	""	""	1	1	380197	""
"665668"	"665668"	"LS-69605"	"COc1cc(\N=C/N(C)C)c2ncccc2c1"	0	""	""	1	1	16986	""
"665671"	"665671"	"LS-69604"	"COc1ccc(\N=C\N(C)C)c(C)c1"	0	""	""	1	1	25767	""
"665672"	"665672"	"LS-69643"	"C[N+](C)(C)\C=N/c1cccc2CCCCc12"	0	""	""	1	1	59031	""
"665684"	"665684"	"2-((4-Fluorophenoxy)methylene)quinuclidin-3-one"	"Fc1ccc(O\C=C/2\N3CCC(CC3)C2=O)cc1"	0	""	""	1	1	3004964	""
"665685"	"665685"	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(c5ccccc45)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"665692"	"665692"	"4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]benzonitrile"	"Oc1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1O"	0	""	""	2	1	5468164	""
"665694"	"665694"	"2-Propen-1-one, 1-(4-hydroxyphenyl)- 3-[4-(dimethylamino..."	"CN(C)c1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1"	0	""	""	2	2	5468166	""
"665697"	"665697"	"AN-308/25123036"	"Oc1cc(O)cc(c1)C(=O)\C=C\c2ccc(O)c(O)c2"	0	""	""	1	1	5468169	""
"665700"	"665700"	"3-Methyl-5-[(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-[(3-methyl-1,2-oxazol-5-yl)methyl]phenyl]methyl]-1,2-oxazole"	"Cc1cc(Cc2c(F)c(F)c(C(c3onc(C)c3)c4c(F)c(F)c(F)c(F)c4F)c(F)c2F)on1"	0	""	""	2	2	380224	""
"665702"	"665702"	"5-chroman-6-yl-2-(4-pyridyl)oxazole"	"C1COc2ccc(cc2C1)c3oc(nc3)c4ccncc4"	0	""	""	1	1	380226	""
"665704"	"665704"	"2-chroman-6-yl-5-(4-pyridyl)oxazole"	"C1COc2ccc(cc2C1)c3oc(cn3)c4ccncc4"	0	""	""	1	1	380228	""
"665710"	"665710"	"3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile"	"CCC(=O)C(CCN1CCC(CC1)N2C(=O)C(CCC#N)c3ccccc23)(c4ccccc4)c5ccccc5"	0	""	""	1	1	380233	""
"665713"	"665713"	"LS-154799"	"Fc1ccc(SCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1"	0	""	""	2	2	200566	""
"665719"	"665719"	"3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one"	"O=C1OC(CCCN2CCCCC2)(CC13CCCC3)c4ccccc4"	0	""	""	3	1	380240	""
"665724"	"665724"	"1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate"	"CC#CC(O)(C(=O)OC1CCCN(C)C1)C2=CC=CCC2"	0	""	""	1	1	380244	""
"665728"	"665728"	""	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc(cc4)[P+](c5ccccc5)(c6ccccc6)c7ccccc7"	0	NA	NA	1	1	NA	""
"665733"	"665733"	"3'-Methylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one"	"CC1=NOC2(C1)C(=O)Nc3ccccc23"	0	""	""	1	1	380253	""
"665735"	"665735"	"5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione"	"S=C1NSC(=C1)c2ccc3OCOc3c2"	0	""	""	1	1	3004965	""
"665736"	"665736"	""	"CCOC(=O)N(C)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccccc3"	0	NA	NA	1	1	NA	""
"665740"	"665740"	""	"CC(C)N1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	2	2	NA	""
"665741"	"665741"	"8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one"	"O=C1OCN(c2ccccc2)C13CCN(Cc4ccccc4)CC3"	0	""	""	1	1	380263	""
"665742"	"665742"	""	"CCCN1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	2	2	NA	""
"665744"	"665744"	""	"CC\C=C/C(O)(C1CCCC1)C(=O)OC2CN3CCC2CC3"	0	NA	NA	1	1	NA	""
"665759"	"665759"	"LS-97512"	"OC1(CC2CCC(C1)N2CCc3ccccc3)c4ccccc4"	0	""	""	1	1	380280	""
"665761"	"665761"	"LS-102307"	"CC#CC(O)(C(C)C)C(=O)OC1CN2CCC1CC2"	0	""	""	1	1	380281	""
"665764"	"665764"	"LS-97508"	"OC(CCCN1C2CCC1CC(O)(C2)c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	380284	""
"665771"	"665771"	""	"CCC(C)N1CN(c2ccccc2)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	NA	""
"665773"	"665773"	"LS-59969"	"Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)CC(=O)N(N4CCCCCC4)C3=O"	0	""	""	1	1	380292	""
"665774"	"665774"	"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol"	"OC1(CC2CCC(C1)N2CCCC3(OCCO3)c4ccc(F)cc4)c5ccccc5"	0	""	""	1	1	380293	""
"665775"	"665775"	""	"CC\C=C/C(O)(C1CCCC1)C(=O)OC2CCN(CC=C)CC2"	0	NA	NA	1	1	NA	""
"665777"	"665777"	"LS-57998"	"CC#CC(O)(C1CCCC1)C(=O)OC2CCN(CC=C)CC2"	0	""	""	2	1	380296	""
"665783"	"665783"	"LS-49673"	"O=C(OC1CN2CCC1CC2)N(c3ccccc3)c4ccccc4"	0	""	""	1	1	28676	""
"665788"	"665788"	"LS-154751"	"CCN1CN(c2ccccc2)C3(CCN(CC4COc5ccccc5O4)CC3)C1=O"	0	""	""	1	1	380307	""
"665789"	"665789"	""	"CCN1CN(c2ccccc2)C3(CCN(CC(CC4OCCO4)c5ccc(F)cc5)CC3)C1=O"	0	NA	NA	2	2	NA	""
"665791"	"665791"	""	"CN(CCCN1CCC2(CC1)N(CN(C)C2=O)c3ccccc3)c4ccc(F)cc4"	0	NA	NA	1	1	NA	""
"665803"	"665803"	"didemnin a, n-l-prolyl-2-l-allothreonine (9ci)"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CCCN2)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	380319	""
"665804"	"665804"	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-Butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2C=CCN2C(=O)[C@H](C)O)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	1	380320	""
"665805"	"665805"	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-Butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CC(O)CN2C(=O)[C@H](C)O)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	380321	""
"665806"	"665806"	"(2S)-N-[1-[[(3S,8S,20S,23S)-13-Butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3"	"CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)[C@@H]2CC(O)CN2)C(C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)C(C)C(=O)[C@@H](OC(=O)CC1O)C(C)C"	0	""	""	2	2	380322	""
"665808"	"665808"	"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]ca"	"COc1ccc(C[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)C(=O)N[C@@H](C)C(=O)N)cc1"	0	""	""	1	1	5468180	""
"665820"	"665820"	"2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine"	"COc1ccc2C3N(CCCc2c1)CCc4cc(OC)c(OC)cc34"	0	""	""	1	1	380329	""
"665857"	"665857"	"2-[(Naphthalen-2-ylcarbonyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate"	"C[N+](C)(C)CCOP(=O)(O)OCCNC(=O)c1ccc2ccccc2c1"	0	""	""	1	1	380330	""
"665863"	"665863"	""	"CN1CN(c2ccccc2)C3(CCN(CCCCCCF)CC3)C1=O"	0	NA	NA	1	1	NA	""
"665869"	"665869"	""	"CCC(C)N1CN(c2ccccc2)C3(CCN(CCCSc4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	NA	""
"665872"	"665872"	"LS-114726"	"COC(=O)C1(CCN(C)CC1)OC(=O)Sc2ccccc2"	0	""	""	2	2	380347	""
"665879"	"665879"	""	"CCN(CC)C(=O)N1CN(c2ccccc2)C3(CCN(CCCC4(OCCO4)c5ccc(F)cc5)CC3)C1=O"	0	NA	NA	1	1	NA	""
"665881"	"665881"	""	"CCN(CC)C(=O)N1CN(c2ccccc2)C3(CCN(CCCSc4ccc(F)cc4)CC3)C1=O"	0	NA	NA	1	1	NA	""
"665883"	"665883"	"LS-154710"	"CNC(=O)N1CN(c2ccccc2)C3(CCN(Cc4ccccc4)CC3)C1=O"	0	""	""	1	1	380361	""
"665895"	"665895"	""	"OC(C1CCCC1)(C(=O)OCCC2=C3CCN(CC3)C2)c4ccccc4"	0	NA	NA	1	1	NA	""
"665897"	"665897"	""	"CNC(=O)O\N=C\1/N(C)CN(c2ccccc2)C13CCN(CCCC(=O)c4ccc(F)cc4)CC3"	0	NA	NA	1	1	NA	""
"665899"	"665899"	"Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-"	"CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C"	0	""	""	1	1	380384	""
"665900"	"665900"	"(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol"	"COc1ccc2[nH]cc(CN3CCC(CO)(CC3)c4ccccc4)c2c1"	0	""	""	1	1	380385	""
"665906"	"665906"	""	"NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)C2CCCN2C(=O)OCc3ccccc3)OCCC(=O)O"	0	NA	NA	1	1	NA	""
"665910"	"665910"	"3-(Benzenesulfonyl)-12-(p-tolylsulfonyl)-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizin-4-one"	"Cc1ccc(cc1)S(=O)(=O)n2c3C4CC=C(C(=O)N4CCc3c5ccccc25)S(=O)(=O)c6ccccc6"	0	""	""	1	1	380393	""
"665915"	"665915"	""	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2CCCCCC4[C@H]5C[C@@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	NA	NA	2	2	NA	""
"665916"	"665916"	""	"CN(C)C(=S)N\N=C(/C)\c1cccnn1"	0	NA	NA	2	2	NA	""
"665924"	"665924"	"8-Fluoro-5-methyl-2-phenylquinolin-4(1H)-one"	"Cc1ccc(F)c2NC(=CC(=O)c12)c3ccccc3"	0	""	""	2	2	380402	""
"665925"	"665925"	"5,7-Dimethyl-2-phenylquinolin-4-ol"	"Cc1cc(C)c2C(=O)C=C(Nc2c1)c3ccccc3"	0	""	""	3	3	380403	""
"665929"	"665929"	"Neuro_000394"	"Fc1cc2NC(=CC(=O)c2cc1F)c3ccccc3"	0	""	""	3	2	380407	""
"665930"	"665930"	"8-Chloro-5-methyl-2-phenylquinolin-4(1H)-one"	"Cc1ccc(Cl)c2NC(=CC(=O)c12)c3ccccc3"	0	""	""	1	1	380408	""
"665934"	"665934"	"Furo[3',4':6,7]naptho[2,3-d]-1,3-dioxol-6(5H)-one, 5a,8,..."	"CNCCN[C@H]1[C@H]2COC(=O)[C@@H]2[C@H](c3cc(OC)c(O)c(OC)c3)c4cc5OCOc5cc14"	0	""	""	2	2	380412	""
"665935"	"665935"	"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NCCNCCO)c4cc5OCOc5cc24"	0	""	""	2	2	380414	""
"665936"	"665936"	"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NCCNCCO)c4cc5OCOc5cc24"	0	""	""	2	2	380415	""
"665940"	"665940"	"3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide"	"BrC1(Br)S(=O)(=O)OCCCOS1(=O)=O"	0	""	""	1	1	380417	""
"665941"	"665941"	"3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile"	"O=S1(=O)OCCOS(=O)(=O)C1(CCC#N)CCC#N"	0	""	""	1	1	380418	""
"665942"	"665942"	"UZFQDPJMWANVCH-UHFFFAOYSA-N"	"FC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	380419	""
"665946"	"665946"	"STK664352"	"O=C(NNC(=S)NC1CCCCC1)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	3004968	""
"665947"	"665947"	"STL508685"	"O=C(NNC(=S)Nc1ccccc1)C23CC4CC(CC(C4)C2)C3"	0	""	""	2	1	3004969	""
"665948"	"665948"	"1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea"	"Clc1ccc(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1"	0	""	""	2	2	3004970	""
"665950"	"665950"	"C15H21N3S"	"Sc1nnc(n1CC=C)C23CC4CC(CC(C4)C2)C3"	0	""	""	1	1	2919324	""
"665951"	"665951"	"3-(1-Adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione"	"Sc1nnc(n1c2ccc(Cl)cc2)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	3004972	""
"665959"	"665959"	"2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole"	"Clc1ccc(cc1)c2oc(nn2)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	380436	""
"665962"	"665962"	"2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole"	"C1C2CC3CC1CC(C3)(C2)c4oc(nn4)c5cccs5"	0	""	""	1	1	380439	""
"665970"	"665970"	"Artemether"	"CO[C@H]1O[C@@H]2O[C@]3(C)CCC4[C@H](C)CCC([C@H]1C)C24OO3"	0	"NonCan:Mal"	"FDA approved"	1	1	NA	""
"665971"	"665971"	"Arteether"	"CCO[C@H]1O[C@@H]2O[C@]3(C)CCC4[C@H](C)CCC([C@H]1C)C24OO3"	0	NA	NA	2	2	NA	""
"666034"	"666034"	"Carquniostatin B"	"CC(O)C(O)C1=C(C)C(=O)C(=O)c2c1[nH]c3ccc(CC=C(C)C)cc23"	0	""	""	2	2	380452	""
"666037"	"666037"	""	"CN1C\C(=C/c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	NA	""
"666038"	"666038"	"Piperidinone, 1-methyl-3,5-bis[(2-nitrophenyl) methylene..."	"CN1C\C(=C/c2ccccc2[N+](=O)[O-])\C(=O)\C(=C\c3ccccc3[N+](=O)[O-])\C1"	0	""	""	2	2	5468196	""
"666062"	"666062"	"N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine"	"COc1cc(cc(OC)c1OC)N(Cc2ccc3nc(OC)c(OC)nc3c2)Cc4ccc5nc(OC)c(OC)nc5c4"	0	""	""	1	1	380466	""
"666065"	"666065"	"2-[4-(2-Methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)piperazin-1-yl]ethanol"	"Cn1nc2ccc3nccc(N4CCN(CCO)CC4)c3c2n1"	0	""	""	1	1	380469	""
"666075"	"666075"	"1,1-diiodo-2,2-dimethoxy-2-phenylethane"	"COC(OC)(C(I)I)c1ccccc1"	0	""	""	2	2	380477	""
"666078"	"666078"	""	"Nc1cccc(\N=C/2\N\C(=N/c3cccc(N)n3)\c4cc(C#N)c(cc24)C#N)n1"	0	NA	NA	1	1	NA	""
"666080"	"666080"	"2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene"	"C1CSc2ccc(SCCCSc3ccc(SC1)nn3)nn2"	0	""	""	2	1	380480	""
"666097"	"666097"	"[cl-].nc1cc(co)cc(nc2c3ccccc3nc4ccccc24)c1"	"Nc1cc(CO)cc(Nc2c3ccccc3nc4ccccc24)c1"	0	NA	NA	1	1	NA	""
"666107"	"666107"	""	"CC1OC2=C(C(=O)Oc3cccc(C)c23)[C@@]1(C)C[C@@H]4OC(=O)C(=C4)C"	0	NA	NA	1	1	NA	""
"666109"	"666109"	""	"C[C@H]1CC(C[C@@]2(C)C(C)OC3=C2C(=O)Oc4ccccc34)OC1=O"	0	NA	NA	1	1	NA	""
"666110"	"666110"	""	"Cc1cccc2OC(=O)C3=C(OC4(C[C@]3(C)C=C)OC(O)C(=C4)CO)c12"	0	NA	NA	2	2	NA	""
"666112"	"666112"	""	"CC(=O)OC[C@H]1CC(OC(=O)C(=C)C)[C@@H]2C(OC(=O)C2=C)C3C1CC=C3C"	0	NA	NA	2	2	NA	""
"666113"	"666113"	""	"CC(=O)OC\C\1=C/C2OC(=O)C(=C)[C@@H]2[C@H](CC3(CO)O[C@@H]3CC1)OC(=O)C(=C)C"	0	NA	NA	2	1	NA	""
"666114"	"666114"	""	"CC(=O)OC1[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C\C(=C\CCC1=C)\CO)OC(=O)C(=C)C"	0	NA	NA	1	1	NA	""
"666115"	"666115"	"4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one"	"Cc1ccc2NC(=O)C(=C(O)c2c1)c3cnc(O)nn3"	0	""	""	1	1	135408193	""
"666117"	"666117"	"Ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate"	"CCOC(=O)O\C(=C/c1ccc(OC)cc1)\c2c(OC(=O)OCC)n(C(=O)OCC)c3ccccc23"	0	""	""	1	1	5468209	""
"666123"	"666123"	""	"COC(=O)\C=C(\C(=O)OC)/c1c(C)cc2c(C)cc(C)cc(C)c12"	0	NA	NA	2	2	NA	""
"666124"	"666124"	"[3,4,5-Tribenzyloxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methanol"	"COc1ccc(OC2OC(CO)C(OCc3ccccc3)C(OCc4ccccc4)C2OCc5ccccc5)cc1"	0	""	""	1	1	380509	""
"666126"	"666126"	"2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol"	"COc1ccc(OC2OC(COC(c3ccccc3)(c4ccc(OC)cc4)c5ccc(OC)cc5)C(O)C(O)C2O)cc1"	0	""	""	1	1	380511	""
"666132"	"666132"	"2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenylthiazol-2-yl)-6,8-dihydro-4H-chromen-5-one"	"CC1(C)CC2=C(C(C(=C(N)O2)c3nc(cs3)c4ccccc4)c5ccc(Br)cc5)C(=O)C1"	0	""	""	1	1	380518	""
"666133"	"666133"	"2-Amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide"	"NC(=S)C1=C(N)OC2=C(C1c3ccc(Br)cc3)C(=O)Oc4ccccc24"	0	""	""	1	1	3000695	""
"666134"	"666134"	"C27H17BrN2O3S"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4ccc(Br)cc4)c5nc(cs5)c6ccccc6"	0	""	""	1	1	380520	""
"666135"	"666135"	"STK525439"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4occc4)c5nc(cs5)c6ccccc6"	0	""	""	1	1	380521	""
"666136"	"666136"	"2-Amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one"	"NC1=C(C(C2=C(O1)c3ccccc3OC2=O)c4occc4)c5nc(cs5)C6=Cc7ccccc7OC6=O"	0	""	""	1	1	380522	""
"666137"	"666137"	"4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile"	"CC1(C)CC(=O)C2=C(C1)NC(=S)C(=C2c3ccc(Br)cc3)C#N"	0	""	""	1	1	1015890	""
"666138"	"666138"	"2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine"	"CN(C)c1ccc(cc1)c2c(C#N)c(N)nc(S)c2C#N"	0	""	""	1	1	3005693	""
"666140"	"666140"	"2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile"	"CC1(C)CC(=O)C2=C(C1)NC(=C(C#N)C2c3ccc(F)cc3)SSC4=C(C#N)C(C5=C(CC(C)(C)CC5=O)N4)c6ccc(F)cc6"	0	""	""	1	1	380527	""
"666159"	"666159"	"Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t..."	"CC1=[N+]2[N-]C(=S[Bi+3]234([O-][N+](=O)[O-])(S=C([N-][N+]3=C(C)c5cccc[n+]45)N6CCCCCC6)[n+]7ccccc17)N8CCCCCC8"	0	NA	NA	3	2	NA	""
"666160"	"666160"	"Bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ..."	"CC1CCN(CC1)C2=S[Bi+3]345([O-][N+](=O)[O-])(S=C([N-][N+]3=C(C)c6cccc[n+]46)N7CCC(C)CC7)[N+](=C(C)c8cccc[n+]58)[N-]2"	0	NA	NA	3	2	NA	""
"666167"	"666167"	"3-(4-Bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one"	"Brc1ccc(cc1)C2=NN=C3NC(=O)C4(NN3C2)c5ccccc5c6ccccc46"	0	""	""	1	1	135409202	""
"666174"	"666174"	""	"Clc1ccc(\C=C\C2=NNC3N4NC5(C(=O)NC4=NN3C2=O)c6ccccc6c7ccccc57)cc1"	0	NA	NA	1	1	NA	""
"666214"	"666214"	"2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c1O"	0	""	""	3	2	380564	""
"666217"	"666217"	"6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 7-methy..."	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	2	380567	""
"666218"	"666218"	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5)c1OC"	0	""	""	1	1	380568	""
"666220"	"666220"	"4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1ccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c(OC)c1"	0	""	""	3	1	380570	""
"666222"	"666222"	"4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc5OCOc5c4)N6CCOCC6"	0	""	""	3	1	380572	""
"666223"	"666223"	"2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(ccc1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	380573	""
"666225"	"666225"	"4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1ccc(cc1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	3	380575	""
"666226"	"666226"	"1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1ccccc1C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	2	1	380576	""
"666227"	"666227"	"Neuro_000396"	"CCC1C(Oc2cc3OCOc3cc2C1c4cc(OC)c(OC)c(OC)c4)N5CCCC5"	0	""	""	3	2	380577	""
"666229"	"666229"	"1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine"	"COc1cccc(c1)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	1	1	380579	""
"666231"	"666231"	"4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc(Cl)cc4)N5CCOCC5"	0	""	""	1	1	380581	""
"666233"	"666233"	"N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline"	"CC1C(Oc2cc3OCOc3cc2C1c4ccc(cc4)N(C)C)N5CCCC5"	0	""	""	2	1	380583	""
"666234"	"666234"	"2,6-Ditert-butyl-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"CC1C(Oc2cc3OCOc3cc2C1c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)N5CCOCC5"	0	""	""	1	1	380584	""
"666236"	"666236"	"2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cccc(C2C(C(Oc3cc4OCOc4cc23)N5CCCC5)c6ccccc6)c1O"	0	""	""	1	1	380586	""
"666237"	"666237"	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5"	0	""	""	3	2	380587	""
"666238"	"666238"	"4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine"	"COc1cc(OC)c(C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5)c(OC)c1"	0	""	""	1	1	380588	""
"666272"	"666272"	"Aplysinamisine III"	"COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCOc3c(Br)cc(cc3Br)C(O)CNC(=O)C)C=C1Br"	0	NA	NA	1	1	NA	""
"666279"	"666279"	"STK953613"	"Cc1ccc(cc1)N2CCc3c(C)c(C#N)c4nc5ccccc5n4c23"	0	""	""	1	1	380604	""
"666280"	"666280"	"STK953642"	"CCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c12"	0	""	""	1	1	380605	""
"666283"	"666283"	"Maybridge4_001815"	"Cc1nc2ccc(F)cc2c3N(CCc13)c4ccc(Cl)cc4"	0	""	""	1	1	380608	""
"666284"	"666284"	"6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	"COc1cc(OC)c2nc(C)c3CCNc3c2c1"	0	""	""	1	1	380609	""
"666288"	"666288"	"2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol"	"CC1=C(CCO)C(=O)NC(=N1)Nc2nc3ccccc3[nH]2"	0	""	""	2	1	135409211	""
"666289"	"666289"	"5179AJ"	"Cc1cc(Cl)nc(Nc2nc3ccccc3[nH]2)n1"	0	""	""	1	1	380614	""
"666290"	"666290"	"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid"	"Cc1nn(C2=NC=C(C(=O)O)C(=O)N2)c(O)c1CCO"	0	""	""	3	1	380615	""
"666291"	"666291"	"3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide"	"NC(=N)n1nc2CCCc2c1O"	0	""	""	1	1	380616	""
"666292"	"666292"	"3-(2-(1H-imidazol-1-yl)ethyl)-6-chloro-4-(1H- imidazol-1..."	"Cc1nc2ccc(Cl)cc2c(c1CCn3ccnc3)n4ccnc4"	0	""	""	1	1	380617	""
"666293"	"666293"	"7152AD"	"Cc1nn(C(=N)N)c(O)c1CCO"	0	""	""	1	1	380618	""
"666294"	"666294"	"1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione"	"O=C(CC(=O)\C=C\c1occc1)\C=C\c2occc2"	0	""	""	2	1	5801551	""
"666295"	"666295"	"1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione"	"Oc1ccccc1\C=C\C(=O)CC(=O)\C=C\c2ccccc2O"	0	""	""	2	2	5825618	""
"666297"	"666297"	""	"COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)cc2)cc1"	0	NA	NA	1	1	NA	""
"666298"	"666298"	"1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione"	"O=C(CC(=O)\C=C\c1ccc2OCOc2c1)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	5927776	""
"666300"	"666300"	"(Acetyloxy)(1-pyrenyl)methyl acetate"	"CC(=O)OC(OC(=O)C)c1ccc2ccc3cccc4ccc1c2c34"	0	""	""	1	1	380625	""
"666302"	"666302"	"15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone"	"CN1C(=O)N(C)c2nc3sc4C(=O)c5c(O)ccc(O)c5C(=O)c4n3c2C1=O"	0	""	""	2	2	380627	""
"666304"	"666304"	"STK205994"	"c1ccc2nc3c(nc2c1)sc4nc5ccccc5n34"	0	""	""	1	1	380629	""
"666305"	"666305"	"C17H8N2O2S"	"O=C1c2ccccc2C(=O)c3c1sc4nc5ccccc5n34"	0	""	""	1	1	380630	""
"666307"	"666307"	"10H-Phenothiazine-4-carbonitrile"	"N#Cc1cccc2Nc3ccccc3Sc12"	0	""	""	1	1	380632	""
"666309"	"666309"	"2,5-Bis(2-thienyl)-3,4-bis(2-pyridinyl)-1H-pyrrole"	"c1ccc(nc1)c2c([nH]c(c3cccs3)c2c4ccccn4)c5cccs5"	0	""	""	1	1	380634	""
"666314"	"666314"	"CBMicro_048201"	"O=C1NN(C(=O)C2C1C3c4ccccc4C2c5ccccc35)c6ccccc6"	0	""	""	1	1	380638	""
"666346"	"666346"	"1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol"	"CCCCCCCCCCOC1C(OC2OC3(CCCCC3)OC12)C(O)CNCCCN(C)C"	0	""	""	1	1	380658	""
"666347"	"666347"	"3-[1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine"	"CCCCCCCCCCOC1C(OC2OC3(CCCCC3)OC12)C(C)OCCCN(C)C"	0	""	""	1	1	380659	""
"666354"	"666354"	"2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one"	"Oc1ccccc1\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4"	0	""	""	1	1	135411821	""
"666355"	"666355"	"2-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one"	"[O-][N+](=O)c1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	9571453	""
"666356"	"666356"	"4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"COc1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	9571454	""
"666358"	"666358"	"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone"	"Cc1cc(C)n(n1)C2=Nc3ccccc3C(=O)N2c4ccccc4"	0	""	""	1	1	380664	""
"666360"	"666360"	"4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"Clc1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	9571455	""
"666361"	"666361"	"1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	"Oc1ccccc1c2nnc3N(C(=O)c4ccccc4n23)c5ccccc5"	0	""	""	1	1	380667	""
"666362"	"666362"	"4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone"	"CN(C)c1ccc(\C=N\NC2=Nc3ccccc3C(=O)N2c4ccccc4)cc1"	0	""	""	1	1	9571456	""
"666365"	"666365"	"1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one"	"Oc1ccc(cc1)c2nnc3N(C(=O)c4ccccc4n23)c5ccccc5"	0	""	""	1	1	380671	""
"666377"	"666377"	"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}-1H-benzimidazole-4,7-dione"	"Oc1c(Br)cc(CCNC2=CC(=O)c3nc[nH]c3C2=O)cc1Br"	0	""	""	1	1	380677	""
"666384"	"666384"	"17-O-Acetylacuminolide"	"CC(=O)OC[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C[C@H](O2)C4=CC(=O)O[C@H]4O"	0	""	""	1	1	380682	""
"666385"	"666385"	"(1S,5S,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione"	"CO[C@@]12CCC3(C)[C@@](CC[C@@H]4[C@@]5(C)CCC[C@@]34OC5=O)(C1)C(=O)C2=C"	0	""	""	1	1	6712298	""
"666388"	"666388"	""	"O[C@@H](C[C@@H]1CC=CC(=O)O1)CC(=O)\C=C\c2ccccc2"	0	NA	NA	2	2	NA	""
"666389"	"666389"	""	"CC1CC(OP(=O)(OCc2ccccc2)OCc3ccccc3)[C@@H](OCc4ccccc4)C(OCc5ccccc5)C1OCc6ccccc6"	0	NA	NA	1	1	NA	""
"666398"	"666398"	"4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C2(c3ccccc3)c4ccccc4c5ccccc25"	0	""	""	1	1	9571458	""
"666401"	"666401"	"2H-Phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6- 10b,11,1..."	"COc1ccc2C3CC[C@]4(C)OC(=O)CCC4[C@@H]3CCc2c1"	0	NA	NA	1	1	NA	""
"666407"	"666407"	"(1E)-1-(3-Methylsulfanylpropylsulfanyl)cyclododecene"	"CSCCCS\C\1=C\CCCCCCCCCC1"	0	""	""	1	1	5468236	""
"666424"	"666424"	""	"NC1CC2C3CCC2C(=O)C13"	0	NA	NA	1	1	NA	""
"666425"	"666425"	"4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C\2/CC3C4CCC3C2C4"	0	""	""	1	1	9571460	""
"666426"	"666426"	"4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol"	"OC1C2CCC3C2CC(C13)C(O)(c4ccccc4)c5ccccc5"	0	""	""	1	1	380720	""
"666434"	"666434"	"2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid"	"OC(=O)c1ccccc1C(=O)OC2C3CCC4CC3C(=C)C24"	0	""	""	1	1	380727	""
"666440"	"666440"	"1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate"	"COC1(OC)C2(Cl)CCC1(Cl)C(C2)OC(=O)C"	0	""	""	2	1	380733	""
"666450"	"666450"	"3-[(4-oxo-2-phenyl-thiazolidin-3-yl)sulfamoyl]benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	380743	""
"666452"	"666452"	"3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3ccccc3Cl"	0	""	""	1	1	380745	""
"666454"	"666454"	"3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	"CN(C)c1ccc(cc1)C2SCC(=O)N2NS(=O)(=O)c3cccc(c3)C(=O)O"	0	""	""	1	1	380747	""
"666455"	"666455"	"3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid"	"OC(=O)c1cccc(c1)S(=O)(=O)NN2C(SCC2=O)c3c(O)ccc4ccccc34"	0	""	""	1	1	380748	""
"666472"	"666472"	"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-"	"OC1c2ccccc2CC13CCC(=O)CC3"	0	""	""	1	1	380764	""
"666473"	"666473"	"Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-"	"CC1(C)c2ccccc2C(=O)C13CCC(=O)CC3"	0	""	""	1	1	380765	""
"666477"	"666477"	""	"CP(=S)(C)P(=S)(C)C"	0	NA	NA	1	1	NA	""
"666479"	"666479"	"6-(3-Carboxypropanoyl)-2,3-dihydro-1H-indene-1-carboxylic acid"	"OC(=O)CCC(=O)c1ccc2CCC(C(=O)O)c2c1"	0	""	""	1	1	380769	""
"666485"	"666485"	"3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide"	"Cc1ccc2c(Nc3ccccc3P2(=O)O)c1"	0	""	""	1	1	380774	""
"666486"	"666486"	"3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinin-10-ium 10-oxide"	"Cc1ccc2c(Nc3cc(ccc3P2=O)C(F)(F)F)c1"	0	""	""	1	1	6328833	""
"666489"	"666489"	""	"N1c2ccccc2[P+]3(c4ccccc4Nc5ccccc35)c6ccccc16"	0	NA	NA	2	2	NA	""
"666490"	"666490"	"Spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]"	"N1c2ccccc2p3(c4ccccc14)c5ccccc5nc6ccccc36"	0	""	""	2	2	380780	""
"666491"	"666491"	"11-Hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide"	"OP1(=O)c2ccccc2CCc3ccccc13"	0	""	""	1	1	380781	""
"666496"	"666496"	"5-Benzyl-5H-benzo[b]phosphindole 5-oxide"	"O=P1(Cc2ccccc2)c3ccccc3c4ccccc14"	0	""	""	2	2	380786	""
"666508"	"666508"	"2-Phenoxyphenylphosphonic acid"	"OP(=O)(O)c1ccccc1Oc2ccccc2"	0	""	""	1	1	380790	""
"666513"	"666513"	"1,3-Diphenylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione"	"O=C1C2C(C(c3ccccc3)C4(Cc5ccccc5C4=O)C2c6ccccc6)c7ccccc17"	0	""	""	2	2	380793	""
"666516"	"666516"	"STK126388"	"O=CC12C3C(C(c4ccccc14)c5ccccc25)C(=O)NC3=O"	0	""	""	1	1	380797	""
"666517"	"666517"	"1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one"	"O=C1CCC2=C(CCC2)N1CCc3ccc4OCOc4c3"	0	""	""	1	1	380798	""
"666518"	"666518"	"1-((Phenylsulfinyl)methyl)cyclohexanol"	"OC1(CS(=O)c2ccccc2)CCCCC1"	0	""	""	1	1	380799	""
"666524"	"666524"	"3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione"	"CC1=C2CC(C)(C)CC(=O)C2(C)CCC1=O"	0	""	""	1	1	380805	""
"666526"	"666526"	"2,2-Dichloro-3-hexylcyclobutanone"	"CCCCCCC1CC(=O)C1(Cl)Cl"	0	""	""	1	1	380807	""
"666531"	"666531"	"Diethyl 2-cyclopropyl-2-oxoethylphosphonate"	"CCOP(=O)(CC(=O)C1CC1)OCC"	0	""	""	1	1	380811	""
"666532"	"666532"	"(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane"	"C[Si](C)(C)C#CCOC=C1CC1"	0	""	""	1	1	380812	""
"666534"	"666534"	"3,3,6,6-Tetramethyl-2,7-octanedione"	"CC(=O)C(C)(C)CCC(C)(C)C(=O)C"	0	""	""	1	1	380813	""
"666535"	"666535"	"Triethyl 2-phenyl-1,3,3-butanetricarboxylate"	"CCOC(=O)CC(c1ccccc1)C(C)(C(=O)OCC)C(=O)OCC"	0	""	""	1	1	380814	""
"666540"	"666540"	"STK095497"	"CC1(C)OC(=O)C(Cc2ccccc2)(Cc3ccccc3)C(=O)O1"	0	""	""	1	1	380818	""
"666552"	"666552"	""	"ClC1(Cl)[C@@H]2CCC3C(CC[C@@H]2C1=O)C(=O)C3(Cl)Cl"	0	NA	NA	2	2	NA	""
"666569"	"666569"	"11.beta.-hydroxy estradiol-11-nitrate-3-acetate"	"CC(=O)Oc1ccc2C3[C@H](C[C@]4(C)[C@@H](O)CCC4[C@@H]3CCc2c1)O[N+](=O)[O-]"	0	""	""	3	2	380839	""
"666570"	"666570"	"(+)-3,11.beta.,17.beta.-Trihydroxyestra-1,3,5(10)-triene..."	"CC(=O)Oc1ccc2C3[C@H](C[C@]4(C)[C@H](CCC4[C@@H]3CCc2c1)O[N+](=O)[O-])O[N+](=O)[O-]"	0	""	""	2	1	6712303	""
"666571"	"666571"	"7.alpha.-Methyl-3,11.beta.,17.beta.-trihydroxy estra-1,3..."	"CC1Cc2cc(O)ccc2C3[C@H](C[C@]4(C)[C@@H](O)CCC4[C@H]13)O[N+](=O)[O-]"	0	""	""	3	2	380841	""
"666583"	"666583"	"7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4c(NN)ncnc24"	0	""	""	1	1	380843	""
"666584"	"666584"	"7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide"	"CC[n+]1cnc(N)c2c(cn(c3ccc(C)cc3)c12)c4ccc(Cl)cc4"	0	""	""	1	1	380844	""
"666586"	"666586"	"Phenethyl 3-(3,4-dihydroxyphenyl)propanoate"	"Oc1ccc(CCC(=O)OCCc2ccccc2)cc1O"	0	""	""	2	2	380847	""
"666589"	"666589"	"phenylpropyl caffeate"	"Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1O"	0	""	""	1	1	5922182	""
"666590"	"666590"	"Benzyl caffeate"	"Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O"	0	""	""	1	1	5919576	""
"666592"	"666592"	".beta.-Phenylethyl 2,4,5-trihydroxycinnamate"	"Oc1cc(O)c(\C=C\C(=O)OCCc2ccccc2)cc1O"	0	""	""	2	2	5933247	""
"666595"	"666595"	"5-(6,7-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid"	"OC(=O)c1cc(ccc1O)c2ccc3cc(O)c(O)cc3c2"	0	""	""	1	1	380855	""
"666596"	"666596"	"5-(5,6-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid"	"OC(=O)c1cc(ccc1O)c2ccc3c(O)c(O)ccc3c2"	0	""	""	1	1	380856	""
"666597"	"666597"	"5-(5,8-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid"	"OC(=O)c1cc(ccc1O)c2ccc3c(O)ccc(O)c3c2"	0	""	""	1	1	380857	""
"666600"	"666600"	"5-[2-(3,4-Dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid"	"OC(=O)c1cc(CCc2ccc(O)c(O)c2)ccc1O"	0	""	""	1	1	380860	""
"666606"	"666606"	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1."	"CC(O)C(C)(O)C(=O)N[C@H]([C@@H](O)C(=O)OC1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6ccccc6"	0	""	""	2	2	380865	""
"666607"	"666607"	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[1"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6occc6)C(=C1C5(C)C)C"	0	""	""	2	2	380866	""
"666608"	"666608"	"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)CC(OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccc8ccccc8c7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	380867	""
"666612"	"666612"	"Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate"	"CCOC(=O)c1ccc(NCc2ccc3OC(=O)C(=Nc3c2)c4ccccc4)cc1"	0	""	""	1	1	380869	""
"666659"	"666659"	"4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate"	"CC(C)(C)C1=C(Br)C(OC(=O)C(F)(F)F)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	380875	""
"666660"	"666660"	"4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	"CC(C)(C)C1=C(Br)C(F)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	380876	""
"666662"	"666662"	"4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide"	"CC1(C)OP(=O)(C=C1Br)c2ccccc2"	0	""	""	1	1	380878	""
"666663"	"666663"	"3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide"	"COC1(OP(=O)(O)C(=C1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	380879	""
"666667"	"666667"	"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide"	"CCOP1(=O)OC(C)(C)C(=C1)Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	380883	""
"666672"	"666672"	"BZUVLAULGXOKJL-UHFFFAOYSA-N"	"CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O"	0	""	""	1	1	380888	""
"666673"	"666673"	""	"CCOP(=O)(OCC)C=C=C1CCC2[C@@H]3CCc4cc(OC)ccc4C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"666674"	"666674"	""	"COc1ccc2C3CC[C@@]4(C)C(CCC4=C=CP(=O)(O)O)[C@@H]3CCc2c1"	0	NA	NA	1	1	NA	""
"666679"	"666679"	"3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid"	"OP(=O)(C#CC(=O)c1ccccc1)c2ccccc2"	0	""	""	1	1	380897	""
"666681"	"666681"	"1,1,10,10-Tetramethoxycyclooctadecane"	"COC1(CCCCCCCCC(CCCCCCCC1)(OC)OC)OC"	0	""	""	1	1	380899	""
"666683"	"666683"	"14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol"	"OC1(CCCCCCCCC2(CCCCCCCC1)OCCO2)C#C"	0	""	""	1	1	380901	""
"666684"	"666684"	"1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane"	"C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2"	0	""	""	1	1	380902	""
"666690"	"666690"	"Plantaricin BN"	"OC(=O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O"	0	""	""	1	1	380907	""
"666691"	"666691"	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-"	"O=C1C(=O)C(CCC#N)(CCC#N)CCCCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	380908	""
"666692"	"666692"	"3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione"	"OCCCC1(CCCO)CCCCCCCCC(CCCO)(CCCO)C(=O)C1=O"	0	""	""	1	1	380909	""
"666693"	"666693"	"Methyl 4-[1,4,4-tris(4-methoxy-4-oxo-butyl)-2,3-dioxo-cyclododecyl]butanoate"	"COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O"	0	""	""	1	1	380910	""
"666694"	"666694"	"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-"	"OC1C(O)C(CCC#N)(CCC#N)CCCCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	380911	""
"666697"	"666697"	"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-"	"O=C1C(=O)C(CCC#N)(CCC#N)CCCCCCC1(CCC#N)CCC#N"	0	""	""	1	1	380914	""
"666698"	"666698"	"1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester"	"COC(=O)CCC1(CCC(=O)OC)CCCCCCC(CCC(=O)OC)(CCC(=O)OC)C(=O)C1=O"	0	""	""	1	1	380915	""
"666700"	"666700"	"1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrim..."	"COC1CC(OC1CO)N2C=CC(=O)NC2=O"	0	NA	NA	1	1	NA	""
"666707"	"666707"	"2-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl bicyc..."	"O\N=C\1/CC2(CCC1(Cc3ccccc3)CC2)N4CCOCC4"	0	""	""	1	1	5831070	""
"666715"	"666715"	"4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2"	0	""	""	1	1	380929	""
"666731"	"666731"	"4,4-diiodo-3-phenyl-3-buten-2-one"	"CC(=O)C(=C(I)I)c1ccccc1"	0	""	""	1	1	380945	""
"666735"	"666735"	"Methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCC[N+]4([O-])CCOCC4)c12"	0	""	""	2	2	380950	""
"666738"	"666738"	"ADAL1163628"	"OCCN(CCO)c1ncc(s1)[N+](=O)[O-]"	0	""	""	1	1	380955	""
"666752"	"666752"	"sjl 620"	"CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN"	0	""	""	1	1	161851	""
"666763"	"666763"	"(E)-1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one"	"Oc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1"	0	""	""	1	1	5468260	""
"666765"	"666765"	"4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate"	"CC(C)(C)C(=O)Oc1ccc(\C=C\C(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1"	0	""	""	1	1	5468262	""
"666766"	"666766"	"2,5-Bis(4-hydroxybenzylidene)cyclopentanone"	"Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)cc3)\C2=O)cc1"	0	""	""	2	2	1712706	""
"666767"	"666767"	"2,5-Bis-(3,4-dihydroxy-benzylidene)-cyclopentanone"	"Oc1ccc(\C=C\2/CC\C(=C/c3ccc(O)c(O)c3)\C2=O)cc1O"	0	""	""	2	2	5468263	""
"666769"	"666769"	""	"CC1C\C(=C/c2ccc(OC(=O)C(C)(C)C)cc2)\C(=O)\C(=C\c3ccc(OC(=O)C(C)(C)C)cc3)\C1"	0	NA	NA	1	1	NA	""
"666783"	"666783"	"Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(4-methoxy- phe..."	"COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1"	0	NA	NA	2	2	NA	""
"666787"	"666787"	"Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,3,4- trichlo..."	"Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc3nc(N)nc(N)c13"	0	NA	NA	2	2	NA	""
"666850"	"666850"	""	"CC(CC[C@@]1(C)C(=O)CCC2O[C@@]12C)[C@H]3C[C@H](OC3=O)c4cocc4"	0	NA	NA	1	1	NA	""
"666851"	"666851"	""	"C[C@@H]1CC[C@]2(C)[C@@]3(C)CCC2(OC3=O)[C@@]14CC(OC4=O)c5cocc5"	0	NA	NA	1	1	NA	""
"666858"	"666858"	""	"CC(OC(=O)C)C(C)(O)C(=O)OC1C=C(C)C2C[C@H](OC(=O)C)C(=C)C2C3OC(=O)C(=C)[C@H]13"	0	NA	NA	1	1	NA	""
"666859"	"666859"	""	"CC(OC(=O)C)C(C)(OC(=O)C)C(=O)OC1C=C(C)C2C[C@H](OC(=O)C)C(=C)C2C3OC(=O)C(=C)[C@H]13"	0	NA	NA	1	1	NA	""
"666869"	"666869"	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1C(F)C(OC1CO)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	380992	""
"666870"	"666870"	"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(C(F)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	380993	""
"666871"	"666871"	"[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate"	"CCCC(=O)OCC1OC(C(F)C1OC(=O)CCC)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	380994	""
"666977"	"666977"	"N-(3,4-Dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide"	"Cc1nc(O)nc(N\N=C\c2ccc(Cl)c(Cl)c2)c1C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	2	2	9556166	""
"666980"	"666980"	"7-Chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(NC(C)(CO)CO)c12"	0	""	""	2	1	381003	""
"666981"	"666981"	"4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-ol"	"CC(C)(C)C1=C(Br)C(O)(OP1(=O)c2ccccc2)C(C)(C)C"	0	""	""	1	1	381004	""
"666991"	"666991"	"2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine"	"CC1=CN(C2CC(N\C(=N\C#N)\NCC3OC(CC3O)n4cnc5c(N)ncnc45)C(CO)O2)C(=O)NC1=O"	0	""	""	1	1	381006	""
"666997"	"666997"	""	"COc1cc2CCN3CCC4CCCCC4C3c2cc1OC"	0	NA	NA	1	1	NA	""
"666999"	"666999"	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole"	"Cn1cc(c2ccccc12)S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	381016	""
"667001"	"667001"	"tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate"	"CC(C)(C)OC(=O)N\C=C\1/C(=O)Oc2ccccc2C1=O"	0	""	""	1	1	135409213	""
"667003"	"667003"	""	"CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O"	0	NA	NA	1	1	NA	""
"667006"	"667006"	"8-amino-4-aza-6-octynylaziridine"	"NCC#CCNCCCN1CC1"	0	""	""	1	1	381022	""
"667047"	"667047"	"2-propenyl estradiol"	"C\C=C\c1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	3	5468270	""
"667049"	"667049"	"2-ethenyl estradiol"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(C=C)cc34)[C@@H]1CC[C@@H]2O"	0	""	""	1	1	381026	""
"667057"	"667057"	"4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	"Cc1ccc2nc(\C=N\c3ccc(Cl)cc3)cc(C)c2c1"	0	""	""	2	2	381036	""
"667058"	"667058"	"2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline"	"Cc1ccc2nc(\C=N\c3ccccc3Cl)cc(C)c2c1"	0	""	""	1	1	381037	""
"667059"	"667059"	""	"Cc1ccnn1CCc2ccc(Cl)cc2Cl"	0	NA	NA	1	1	NA	""
"667064"	"667064"	"[(Z)-[2-[2-(2-Hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea"	"NC(=S)N\N=C/1\C(CCC2(O)CCc3ccccc3C2=O)CCc4ccccc14"	0	""	""	1	1	9571467	""
"667065"	"667065"	""	"O=C1C(CN2CCCC2)CCC1CN3CCCC3"	0	NA	NA	2	2	NA	""
"667067"	"667067"	""	"O=C(CCN1CCN(CCC(=O)\C=C\c2ccccc2)CC1)\C=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"667070"	"667070"	"2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium iodide"	"CCCCCCCCCCCCCCCC1(C[N+](C)(C)CCO1)OC"	0	""	""	1	1	381050	""
"667071"	"667071"	"[(2R,3S,3Ar)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)methanone"	"C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N3C4CC5CCC4(CS3(=O)=O)C5(C)C"	0	""	""	1	1	381052	""
"667072"	"667072"	"N-[(3-Cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide"	"O=C(NC(=S)Nc1nc2CCCCc2c(c3ccccc3)c1C#N)c4ccccc4"	0	""	""	1	1	3004991	""
"667076"	"667076"	"2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	"CSc1nc(N)c2c(c3CCCCc3nc2n1)c4ccccc4"	0	""	""	1	1	381057	""
"667078"	"667078"	"5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine"	"Nc1nc(SCCc2ccccc2)nc3nc4CCCCc4c(c5ccccc5)c13"	0	""	""	1	1	381059	""
"667079"	"667079"	"2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone"	"Nc1nc(SCC(=O)c2ccccc2)nc3nc4CCCCc4c(c5ccccc5)c13"	0	""	""	1	1	381060	""
"667080"	"667080"	"2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine"	"CCSc1nc(N)c2c(c3CCCc3nc2n1)c4ccccc4"	0	""	""	1	1	381061	""
"667082"	"667082"	"Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate"	"CCOC(=O)CSc1nc(N)c2c(c3CCCCc3nc2n1)c4ccc(OC)c(OC)c4"	0	""	""	1	1	381063	""
"667088"	"667088"	"5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine"	"COc1ccc(cc1OC)c2c(c(C)nc3nc(SC)nc(SC)c23)c4ccccc4"	0	""	""	1	1	381069	""
"667223"	"667223"	"8-Methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene"	"COc1ccc(cc1)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	1	1	381073	""
"667224"	"667224"	"LS-39255"	"COc1cccc2C=C(C(Oc12)c3ccc(Cl)cc3)[N+](=O)[O-]"	0	""	""	1	1	42460	""
"667225"	"667225"	"4-(6-Chloro-3-nitro-2H-chromen-2-yl)benzonitrile"	"[O-][N+](=O)C1=Cc2cc(Cl)ccc2OC1c3ccc(cc3)C#N"	0	""	""	2	2	381074	""
"667226"	"667226"	"4-(8-Methoxy-3-nitro-2H-chromen-2-yl)benzonitrile"	"COc1cccc2C=C(C(Oc12)c3ccc(cc3)C#N)[N+](=O)[O-]"	0	""	""	1	1	381075	""
"667227"	"667227"	"J-501934"	"Oc1ccc(cc1)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	5468276	""
"667228"	"667228"	""	"COc1cc(\C=C\2/CC(C)C\C(=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	2	1	NA	""
"667230"	"667230"	"Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate"	"CCOC(=O)C1=CCOc2cc(ccc12)N(C)C"	0	""	""	1	1	381079	""
"667231"	"667231"	"Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate"	"CCOC(=O)CC1C(C(=O)Oc2cc(O)ccc12)c3ccc(N)cc3"	0	""	""	1	1	381080	""
"667251"	"667251"	"2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-"	"CN(C)c1cccc(\C=C(/C#N)\c2ccccc2)c1"	0	""	""	3	2	5351425	""
"667252"	"667252"	"2,4-Pentadienenitrile, 5-[4-(dimethylamino)phenyl]- 2-ph..."	"CN(C)c1ccc(\C=C\C=C(\C#N)/c2ccccc2)cc1"	0	NA	NA	3	3	NA	""
"667261"	"667261"	"2-Propenenitrile, 3-[4-(dimethylamino)phenyl]- 2-phenyl-"	"CN(C)c1ccc(\C=C(/C#N)\c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"667262"	"667262"	"Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate"	"CCOC(=O)CCc1ccc(NC(=O)\C=C\c2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	2	2	5935594	""
"667264"	"667264"	"STK000877"	"OC(=O)C(=Cc1oc(cc1)c2ccc(cc2)[N+](=O)[O-])C(=O)O"	0	""	""	1	1	381101	""
"667269"	"667269"	"2-(5-Nitro-2-furyl)prop-2-enamide"	"NC(=O)C(=C)c1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	381106	""
"667275"	"667275"	"Perfragilin B"	"CSC1=C(SC)C(=O)C2=CC(=O)N(C)C=C2C1=O"	0	""	""	2	2	381111	""
"667276"	"667276"	"(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-ol"	"OC1\C=C/C#CCSCC#C1"	0	""	""	1	1	5468277	""
"667277"	"667277"	"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate"	"O=C(OC1\C=C/C#CCSCC#C1)c2cnc3ccccc3n2"	0	""	""	1	1	5468278	""
"667378"	"667378"	"5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile"	"NC1=C(NC(=S)N1)C#N"	0	""	""	1	1	3004998	""
"667379"	"667379"	"N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide"	"O=C(Nc1nc2C(=O)NC=Nc2s1)c3ccccc3"	0	""	""	1	1	381117	""
"667383"	"667383"	""	"CCO\C=N/c1c(C#N)c(cn1c2ccc(C)cc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"667385"	"667385"	"12-(4-Chlorophenyl)-4-methyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"CC1=NN2C=Nc3c(C2N1)c(cn3c4ccc(C)cc4)c5ccc(Cl)cc5"	0	""	""	1	1	381123	""
"667386"	"667386"	"12-(4-Chlorophenyl)-10-(4-methylphenyl)-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4C5NC(=NN5C=Nc24)c6cccs6"	0	""	""	1	1	381124	""
"667387"	"667387"	"12-(4-Chlorophenyl)-4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4C5NC(=NN5C=Nc24)c6occc6"	0	""	""	1	1	381125	""
"667439"	"667439"	"N,N-Didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy"	"CCCCCCCCCCN(CCCCCCCCCC)C(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C)c4OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C)c3OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C"	0	""	""	1	1	381126	""
"667440"	"667440"	"N,N-Bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,1"	"COCCN(CCOC)C(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc1cc(c2)C(C)(C)C)c6OCC(=O)N(CCOC)CCOC)C(C)(C)C)c5OCC(=O)N(CCOC)CCOC)C(C)(C)C)c4OCC(=O)N(CCOC)CCOC)C(C)(C)C)c3OCC(=O)N(CCOC)CCOC)C(C)(C)C"	0	""	""	1	1	381127	""
"667444"	"667444"	""	""	0	NA	NA	3	2	NA	""
"667445"	"667445"	"2-Phenyl-6-(pyrrolidin-1-yl)quinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCCC3)c4ccccc4"	0	""	""	2	2	381128	""
"667446"	"667446"	"2-(3-Methoxyphenyl)-6-(piperidin-1-yl)quinolin-4(1H)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCCC4"	0	""	""	2	2	381129	""
"667447"	"667447"	"2-Phenyl-6-(piperidin-1-yl)quinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCCCC3)c4ccccc4"	0	""	""	2	2	381130	""
"667448"	"667448"	"6-(Morpholin-4-yl)-2-phenylquinolin-4(1H)-one"	"O=C1C=C(Nc2ccc(cc12)N3CCOCC3)c4ccccc4"	0	""	""	2	2	381131	""
"667449"	"667449"	"KUC100232"	"COc1cc2NC(=CC(=O)c2cc1OC)c3ccccc3"	0	""	""	2	2	381132	""
"667450"	"667450"	"2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	2	2	381133	""
"667451"	"667451"	"2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1cccc(c1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	2	2	381134	""
"667452"	"667452"	"Neuro_000400"	"COc1cccc(c1)C2=CC(=O)c3cc(Cl)cnc3N2"	0	""	""	4	3	381135	""
"667454"	"667454"	"5-(9H-Pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde"	"O=Cc1oc(cc1)c2nccc3c4ccccc4[nH]c23"	0	""	""	4	3	381136	""
"667456"	"667456"	"2-Phenyl-4H-1,4-benzothiazine-3-thione"	"S=C1Nc2ccccc2SC1c3ccccc3"	0	""	""	1	1	3004999	""
"667460"	"667460"	"7-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	"Clc1ccc2SC(CC(=S)Nc2c1)c3ccccc3"	0	""	""	1	1	3005001	""
"667461"	"667461"	"8-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione"	"Clc1ccc2NC(=S)CC(Sc2c1)c3ccccc3"	0	""	""	1	1	3005002	""
"667463"	"667463"	"Maybridge4_003408"	"S=C1CC(Sc2ccccc2N1)c3ccccc3"	0	""	""	1	1	2728652	""
"667468"	"667468"	"3,5-Dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione"	"S=C1CCSc2c(N1)ccc3ccccc23"	0	""	""	1	1	3005007	""
"667471"	"667471"	"STK766820"	"COc1ccc(cc1OC)C2Oc3c(OC)cccc3C=C2[N+](=O)[O-]"	0	""	""	1	1	381153	""
"667472"	"667472"	"2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-"	"[O-][N+](=O)C1=Cc2cc(Cl)ccc2OC1c3cccc4ccccc34"	0	""	""	2	2	381154	""
"667481"	"667481"	""	"OCC1OC(CC1O)N2C=C(N=NNCCc3ccccc3)C(=O)NC2=O"	0	NA	NA	1	1	NA	""
"667482"	"667482"	""	"OCC1OC(CC1O)N2C=C(N=NNCCCc3ccccc3)C(=O)NC2=O"	0	NA	NA	1	1	NA	""
"667503"	"667503"	"AN-689/41741191"	"CN(C)c1ccc(cc1)\N=C/2\N\C(=N/c3ccccc3)\C(=N\c4ccccc4)\S2"	0	""	""	1	1	381173	""
"667505"	"667505"	""	"COC(=O)[C@@H](NC1(c2ccccc2)c3ccccc3c4ccccc14)[C@H](OC(=O)[C@H]5CCCN5S(=O)(=O)c6ccccc6)C(=O)OC"	0	NA	NA	1	1	NA	""
"667510"	"667510"	"(5Z)-3-(Dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione"	"CN(C)N1C(=O)S\C(=C/c2ccc(cc2)[N+](=O)[O-])\C1=O"	0	""	""	1	1	5468282	""
"667511"	"667511"	"3-Benzyl-1,3-thiazepane-2,4-dione"	"O=C1CCCSC(=O)N1Cc2ccccc2"	0	""	""	1	1	381180	""
"667512"	"667512"	"6-Benzamido-N-(2-methylpropyl)-2,4-dioxo-3-phenyl-1H-thieno[2,3-d]pyrimidine-5-carboxamide"	"CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc3NC(=O)N(C(=O)c13)c4ccccc4"	0	""	""	4	2	381181	""
"667513"	"667513"	"Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate"	"CCOC(=O)c1c(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)nnc(c5ccccc5)c1c6ccccc6"	0	""	""	1	1	381182	""
"667515"	"667515"	"(3Z)-3-[[2-(1,3-Benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione"	"O=C1CSC(=O)/C/1=C\NNc2oc3ccccc3n2"	0	""	""	1	1	135409216	""
"667516"	"667516"	""	"CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)\C=C\C(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"667518"	"667518"	"3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione"	"OC1(CC(C2C1C(=O)Nc3ccccc3C2=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	381187	""
"667519"	"667519"	""	"O=C(Cc1ccccc1)N[C@@H]2COC(=O)C3CCCN3C(=O)[C@@H]4CCCN4C2=O"	0	NA	NA	1	1	NA	""
"667520"	"667520"	"2-Phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide"	"O=C(Cc1ccccc1)N[C@@H]2COC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C2=O"	0	""	""	1	1	381189	""
"667521"	"667521"	""	"C[C@@H]1OC2(O)[C@@H]3CCCN3C(=O)N(Cc4ccccc4)N2C1=O"	0	NA	NA	1	1	NA	""
"667522"	"667522"	""	"O=C1NN(Cc2ccccc2)C(=O)N3CCC[C@@H]13"	0	NA	NA	1	1	NA	""
"667526"	"667526"	""	"CC1=CC(=C(C#N)C(=S)N1C2OC(CO)C(O)C(O)C2O)c3cccc4ccccc34"	0	NA	NA	1	1	NA	""
"667527"	"667527"	"[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4cccc5ccccc45"	0	""	""	1	1	381196	""
"667529"	"667529"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"667530"	"667530"	"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4occc4"	0	""	""	2	1	381199	""
"667531"	"667531"	"4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C4=C2CCCC4"	0	""	""	1	1	381200	""
"667532"	"667532"	""	"OCC1OC(C(O)C(O)C1O)N2C3=C(CCCC3)C(=C(C#N)C2=S)c4occc4"	0	NA	NA	1	1	NA	""
"667533"	"667533"	"Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(Cl)cc3)C#N"	0	""	""	2	1	381202	""
"667534"	"667534"	""	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(OC)cc3)C#N"	0	NA	NA	1	1	NA	""
"667535"	"667535"	"Ethyl 5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3cccc4ccccc34)C#N"	0	""	""	1	1	381203	""
"667537"	"667537"	"[3,4,5-Triacetyloxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate"	"CCC1=C(N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1C)C#N)c3ccccc3"	0	""	""	2	1	381205	""
"667538"	"667538"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)C)C#N"	0	NA	NA	1	1	NA	""
"667539"	"667539"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)C)C#N"	0	NA	NA	1	1	NA	""
"667542"	"667542"	""	"CCC1=C(C)N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1C)C#N"	0	NA	NA	1	1	NA	""
"667545"	"667545"	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N)c4ccccc4"	0	NA	NA	2	1	NA	""
"667547"	"667547"	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3cccc4ccccc34)C#N)c5ccccc5"	0	NA	NA	1	1	NA	""
"667548"	"667548"	"5-Acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC(=O)C1=C(C)N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N"	0	""	""	1	1	381214	""
"667549"	"667549"	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(Cl)cc3)C#N)c4ccccc4"	0	NA	NA	1	1	NA	""
"667550"	"667550"	""	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)C)c4ccccc4"	0	NA	NA	1	1	NA	""
"667554"	"667554"	""	"CC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3cccc4ccccc34)C#N)c5ccccc5"	0	NA	NA	1	1	NA	""
"667556"	"667556"	"[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C(=O)C)C"	0	""	""	1	1	381219	""
"667557"	"667557"	"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4ccc(Cl)cc4)C#N"	0	""	""	1	1	381220	""
"667560"	"667560"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3occc3)C"	0	NA	NA	1	1	NA	""
"667561"	"667561"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3cccc4ccccc34)C"	0	NA	NA	1	1	NA	""
"667562"	"667562"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4cccc5ccccc45)C#N"	0	NA	NA	1	1	NA	""
"667563"	"667563"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(=O)C)C(=C(C#N)C2=S)c3occc3)C"	0	NA	NA	1	1	NA	""
"667564"	"667564"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C(=C2c3ccccc3)C(=O)C)c4cccc5ccccc45)C#N"	0	NA	NA	1	1	NA	""
"667640"	"667640"	"Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	3	2	381232	""
"667641"	"667641"	"N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cnc2n1"	0	""	""	3	2	381234	""
"667642"	"667642"	"Cryptophycin"	"COc1ccc(CC2NC(=O)\C=C\CC(OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)C(C)C3OC3c4ccccc4)cc1Cl"	0	""	""	2	2	5468287	""
"667644"	"667644"	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCN4CCCCC4)c12"	0	NA	NA	2	2	NA	""
"667645"	"667645"	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCC[N+]4([O-])CCCCC4)c12"	0	NA	NA	2	2	NA	""
"667646"	"667646"	"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea"	"OCC1OC(NC(=S)NCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O"	0	""	""	1	1	3005009	""
"667648"	"667648"	"Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate"	"CCOC(=O)\C=C(\N=P(c1ccccc1)(c2ccccc2)c3ccccc3)/C(F)(F)F"	0	""	""	1	1	6477458	""
"667652"	"667652"	""	"COC1OC(COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O"	0	NA	NA	1	1	NA	""
"667654"	"667654"	""	"CCOC(=O)\C=C(/N=P(c1ccccc1)(c2ccccc2)c3ccccc3)\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"667672"	"667672"	"4-IBP"	"Ic1ccc(cc1)C(=O)NC2CCN(Cc3ccccc3)CC2"	0	""	""	1	1	132995	""
"667705"	"667705"	"(2Z)-3-Phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one"	"Cc1ccc(cc1)n2cnc3c(N\N=C\4/SCC(=O)N4c5ccccc5)ncnc23"	0	""	""	1	1	9571867	""
"667706"	"667706"	"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea"	"CNC(=S)NNc1ncnc2c1c(cn2c3ccc(C)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	3001720	""
"667707"	"667707"	"1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea"	"Cc1ccc(cc1)n2cc(c3ccc(Cl)cc3)c4c(NNC(=S)NCc5ccccc5)ncnc24"	0	""	""	1	1	3001721	""
"667708"	"667708"	"(2Z)-2-[[5-(4-Chlorophenyl)-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazinylidene]-3-methyl-1,3-thiazolidin-4-one"	"CN1C(=O)CS/C/1=N\Nc2ncnc3c2c(cn3c4ccc(C)cc4)c5ccc(Cl)cc5"	0	""	""	1	1	9571868	""
"667718"	"667718"	"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCC3)C(=C(C#N)C2=S)c4occc4"	0	""	""	1	1	381282	""
"667722"	"667722"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccccc3)C(=C(C#N)C2=S)C)C"	0	NA	NA	1	1	NA	""
"667723"	"667723"	"[3,4,5-Triacetyloxy-6-[5-cyano-2,4-dimethyl-3-[(4-methylphenyl)diazenyl]-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccc(C)cc3)C(=C(C#N)C2=S)C)C"	0	""	""	1	1	381287	""
"667725"	"667725"	"[3,4,5-Triacetyloxy-6-[3-[(4-chlorophenyl)diazenyl]-5-cyano-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(N=Nc3ccc(Cl)cc3)C(=C(C#N)C2=S)C)C"	0	""	""	1	1	381289	""
"667727"	"667727"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)N=Nc4ccc(C)cc4)C#N"	0	NA	NA	1	1	NA	""
"667728"	"667728"	"[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(cc1)N=NC2=C(N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=S)C(=C2C)C#N)c4ccccc4"	0	""	""	1	1	381292	""
"667730"	"667730"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C)C(=C2c3ccccc3)N=Nc4ccc(Cl)cc4)C#N"	0	NA	NA	1	1	NA	""
"667731"	"667731"	"4,6-Dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(N=Nc2ccccc2)C(=C(C#N)C(=S)N1C3OC(CO)C(O)C(O)C3O)C"	0	""	""	1	1	381294	""
"667734"	"667734"	""	"CC1=C(N=Nc2ccc(Cl)cc2)C(=C(C#N)C(=S)N1C3OC(CO)C(O)C(O)C3O)C"	0	NA	NA	1	1	NA	""
"667735"	"667735"	"4-Methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(C#N)C(=S)N(C2OC(CO)C(O)C(O)C2O)C(=C1N=Nc3ccccc3)c4ccccc4"	0	""	""	1	1	381298	""
"667736"	"667736"	"4-Methyl-5-[(4-methylphenyl)diazenyl]-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"CC1=C(C#N)C(=S)N(C2OC(CO)C(O)C(O)C2O)C(=C1N=Nc3ccc(C)cc3)c4ccccc4"	0	""	""	1	1	381299	""
"667739"	"667739"	"Pyridine-3-carbonitrile, 4-(2-furanyl)- 1-(.beta.-D-gluc..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4occc4)S"	0	""	""	3	2	381302	""
"667740"	"667740"	"[3,4,5-Triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4cccs4)S"	0	""	""	1	1	381303	""
"667742"	"667742"	"STK259678"	"CCOc1ccc(NC(=O)\C=C\c2occc2)cc1"	0	""	""	1	1	963805	""
"667745"	"667745"	"5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione"	"CN1C(O)C(Cl)(Br)C(=O)N(C)C1=O"	0	""	""	1	1	381307	""
"667746"	"667746"	"Tetradecahydro-2,3-phenazinediamine"	"NC1CC2NC3CCCCC3NC2CC1N"	0	""	""	1	1	381308	""
"667748"	"667748"	"3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2nc3ccccc3nc2N(S(=O)(=O)c4ccc(C)cc4)S(=O)(=O)c5ccc(C)cc5"	0	""	""	1	1	381310	""
"667759"	"667759"	"3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c5ccc(C)cc5"	0	""	""	1	1	381318	""
"667844"	"667844"	"5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde"	"ClCC1=C(NC(=O)NC1=O)C=O"	0	""	""	2	1	381323	""
"667869"	"667869"	"Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester"	"C[C@H]1[C@H]([O-][B+3](c2ccccc2)(c3ccccc3)[N+]1(C)C)c4ccccc4"	0	""	""	1	1	495785	""
"667870"	"667870"	"1,1-Dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CCCN(CCC)C(=S)N\N=C\c1ccccn1"	0	""	""	2	2	9554743	""
"667872"	"667872"	"LS-22895"	"S=C(N\N=C\c1ccccn1)N2CCCCCC2"	0	""	""	2	2	9554747	""
"667874"	"667874"	"3-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea"	"CCCN(CCC)C(=S)N\N=C\c1cccc(C)n1"	0	""	""	1	1	9554748	""
"667875"	"667875"	""	"Cc1cccc(\C=N\NC(=S)N2CCCCC2)n1"	0	NA	NA	1	1	NA	""
"667876"	"667876"	"N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide"	"Cc1cccc(\C=N\NC(=S)N2CCCCCC2)n1"	0	""	""	2	2	9554750	""
"667877"	"667877"	"1-[(E)-1-Pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]ethyl]thiourea"	"C\C(=N/NC(=S)NCCNC(=S)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	""	""	2	2	9554737	""
"667880"	"667880"	"1-Methyl-1-[2-[methyl-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea"	"CN(CCN(C)C(=S)N\N=C(/C)\c1ccccn1)C(=S)N\N=C(/C)\c2ccccn2"	0	""	""	1	1	9554738	""
"667899"	"667899"	"8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cccc(OC)c5OC)cc1"	0	""	""	1	1	381359	""
"667901"	"667901"	"N'-[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cccc(C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	381361	""
"667902"	"667902"	"[[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cccc(C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23)c1OC"	0	""	""	1	1	381362	""
"667903"	"667903"	"8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cccc(C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	381363	""
"667904"	"667904"	"1-(8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]..."	"COc1cccc(C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24)c1OC"	0	""	""	1	1	381364	""
"667905"	"667905"	"8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cccc(OC)c4OC"	0	""	""	1	1	381365	""
"667907"	"667907"	"8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccc(cc1)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	381367	""
"667909"	"667909"	"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine"	"COc1cccc(C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5)c1OC"	0	""	""	1	1	381369	""
"667910"	"667910"	"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine"	"COc1ccc(cc1)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	381370	""
"667911"	"667911"	"2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide"	"COc1ccc(cc1)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	381371	""
"667913"	"667913"	"2-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]d..."	"CC1C(NNc2ccccc2)Oc3cc4OCOc4cc3C1c5ccccc5O"	0	""	""	1	1	381373	""
"667918"	"667918"	"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NN)Oc3cc4OCOc4cc23"	0	""	""	2	2	381378	""
"667921"	"667921"	"6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol"	"Oc1ccccc1C(N2CCOCC2)c3cc4OCOc4cc3O"	0	""	""	1	1	381381	""
"667924"	"667924"	"4-Methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	381384	""
"667925"	"667925"	"Hydrazine, 1-[7,8-dihydro-8-(3,4,5-trimethoxyphenyl)- 7-..."	"COc1cc(cc(OC)c1OC)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	381385	""
"667926"	"667926"	"N'-[8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cccc(C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24)c1O"	0	""	""	1	1	381386	""
"667927"	"667927"	"7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	381387	""
"667928"	"667928"	"N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	381388	""
"667930"	"667930"	"2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCCO)Oc3cc4OCOc4cc23"	0	""	""	2	2	381390	""
"667931"	"667931"	"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-amine, 7,8-dihydro-..."	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	381391	""
"667932"	"667932"	"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	381392	""
"667933"	"667933"	"[[8-(2-Hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea"	"COc1cccc(C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23)c1O"	0	""	""	2	2	381393	""
"667934"	"667934"	"2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol"	"COc1cccc(C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24)c1O"	0	""	""	2	1	381394	""
"667947"	"667947"	""	"Oc1cc2CCCNc2c(c1)S(=O)(=O)c3ccccc3[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"667949"	"667949"	""	"Cc1cc2CCCNc2c(c1)S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"667954"	"667954"	"4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol"	"Oc1ccc(Cl)cc1CN2CCN(Cc3cc(Cl)ccc3O)C2"	0	""	""	1	1	381409	""
"668002"	"668002"	"Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate"	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1"	0	""	""	1	1	381414	""
"668003"	"668003"	"Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate"	"CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1"	0	""	""	1	1	381415	""
"668004"	"668004"	""	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)O"	0	NA	NA	1	1	NA	""
"668005"	"668005"	"1-(2-(Acetylamino)-3-methylbutanoyl)proline"	"CC(C)C(NC(=O)C)C(=O)N1CCCC1C(=O)O"	0	""	""	1	1	381417	""
"668018"	"668018"	"3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid"	"CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O"	0	""	""	1	1	381430	""
"668024"	"668024"	"Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate"	"O=C(OCc1ccccc1)C(CN2C(=O)c3ccccc3C2=O)(CN4C(=O)c5ccccc5C4=O)C(=O)OCc6ccccc6"	0	""	""	1	1	381436	""
"668033"	"668033"	"2-[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid"	"CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NCC(=O)O"	0	""	""	1	1	381445	""
"668036"	"668036"	"Boc-(Ala-Hmb)2-OH"	"CC(C)C(OC(=O)C(C)NC(=O)C(OC(=O)C(C)NC(=O)OC(C)(C)C)C(C)C)C(=O)O"	0	NA	NA	1	1	NA	""
"668039"	"668039"	"tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate"	"CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O"	0	""	""	1	1	381451	""
"668047"	"668047"	"3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid"	"COC(=O)C(Cc1ccccc1)OC(=O)C(N)CC(=O)O"	0	""	""	1	1	381460	""
"668057"	"668057"	"Methyl 1-(acetylamino)-2-phenylethylcarbamate"	"COC(=O)NC(Cc1ccccc1)NC(=O)C"	0	""	""	1	1	381470	""
"668059"	"668059"	"1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea"	"COc1ccc(cc1)N(C)C(=O)N(C)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	381472	""
"668102"	"668102"	"(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-Amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]h"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	1	1	381473	""
"668217"	"668217"	"6-Chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene"	"COc1ccc(cc1OC)C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-]"	0	""	""	2	2	381495	""
"668253"	"668253"	"1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione"	"C=C1CC(CN2CCC(=O)NC2=O)(OC1=O)c3ccccc3"	0	""	""	2	2	381497	""
"668254"	"668254"	"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"Clc1ccc(cc1)C2(CN3C=CC(=O)NC3=O)CC(=C)C(=O)O2"	0	""	""	2	2	381498	""
"668255"	"668255"	"1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"COc1ccc(cc1)C2(CN3C=CC(=O)NC3=O)CC(=C)C(=O)O2"	0	""	""	2	2	381499	""
"668256"	"668256"	"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione"	"C=C1CC(CN2C=CC(=O)NC2=O)(OC1=O)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	381500	""
"668257"	"668257"	"2,4(1H,3H)-Pyrimidinedione, 1-[[2-(4-chlorophenyl)- tetr..."	"CC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(Cl)cc3)C(=O)NC1=O"	0	""	""	2	2	381501	""
"668258"	"668258"	"5-Methyl-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	"CC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(cc3)c4ccccc4)C(=O)NC1=O"	0	""	""	2	2	381502	""
"668259"	"668259"	"5-Bromo-1-[[2-(4-bromophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione"	"BrC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(Br)cc3)C(=O)NC1=O"	0	""	""	2	2	381503	""
"668260"	"668260"	"2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphen..."	"BrC1=CN(CC2(CC(=C)C(=O)O2)c3ccc(cc3)c4ccccc4)C(=O)NC1=O"	0	""	""	2	2	381504	""
"668261"	"668261"	"GLEMYYHYOHRBLT-UHFFFAOYSA-N"	"CC1(COc2ccc3C=CC(=O)Oc3c2)CC(=C)C(=O)O1"	0	""	""	2	2	381505	""
"668262"	"668262"	"4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=CC(=O)Oc2cc(OCC3(C)CC(=C)C(=O)O3)ccc12"	0	""	""	2	2	381506	""
"668263"	"668263"	"3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(Cl)C(=O)Oc2cc(OCC3(C)CC(=C)C(=O)O3)ccc12"	0	""	""	2	2	381507	""
"668264"	"668264"	"3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(C)c2ccc(OCC3(C)CC(=C)C(=O)O3)c(C)c2OC1=O"	0	""	""	2	2	381508	""
"668265"	"668265"	"RDEUUWUFJSOERA-UHFFFAOYSA-N"	"C=C1CC(COc2ccc3C=CC(=O)Oc3c2)(OC1=O)c4ccccc4"	0	""	""	2	2	381509	""
"668266"	"668266"	"4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=CC(=O)Oc2cc(OCC3(CC(=C)C(=O)O3)c4ccccc4)ccc12"	0	""	""	2	2	381510	""
"668267"	"668267"	"2H-1-Benzopyran-2-one, 3-chloro-7-[(tetrahydro-4-methyle..."	"CC1=C(Cl)C(=O)Oc2cc(OCC3(CC(=C)C(=O)O3)c4ccccc4)ccc12"	0	""	""	2	2	381511	""
"668268"	"668268"	"3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one"	"CC1=C(C)c2ccc(OCC3(CC(=C)C(=O)O3)c4ccccc4)c(C)c2OC1=O"	0	""	""	2	2	381512	""
"668269"	"668269"	"KKIQVSBZFBKASX-UHFFFAOYSA-N"	"CC1(COC2=CC(=O)Oc3ccccc23)CC(=C)C(=O)O1"	0	""	""	2	2	381513	""
"668270"	"668270"	"2H-1-Benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo..."	"C=C1CC(COC2=CC(=O)Oc3ccccc23)(OC1=O)c4ccccc4"	0	""	""	2	2	381514	""
"668276"	"668276"	"2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	"C=C1CC(OC1=O)c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2"	0	""	""	2	2	381520	""
"668277"	"668277"	"2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione"	"COc1cc(ccc1OCCCN2C(=O)c3ccccc3C2=O)C4CC(=C)C(=O)O4"	0	""	""	2	2	381521	""
"668281"	"668281"	"(-)-.beta.-L-1-[(2-Hydroxymethyl)-1,3-dioxolan-4yl]cytosine"	"NC1=NC(=O)N(C=C1)C2COC(CO)O2"	0	NA	NA	3	3	NA	""
"668293"	"668293"	"2,4-Dibromo-8,9-dichloro-1-nitro-10H-phenothiazine"	"[O-][N+](=O)c1c(Br)cc(Br)c2Sc3ccc(Cl)c(Cl)c3Nc12"	0	""	""	2	2	3785335	""
"668294"	"668294"	""	"CCCN(CCC)C(=S)N\N=C(\C)/c1ccccc1O"	0	NA	NA	2	2	NA	""
"668295"	"668295"	""	"C\C(=N\NC(=S)N1CCCCC1)\c2ccccc2O"	0	NA	NA	2	1	NA	""
"668296"	"668296"	""	"C\C(=N\NC(=S)N1CCCCCC1)\c2ccccc2O"	0	NA	NA	2	2	NA	""
"668297"	"668297"	"1-(2-Methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\C)/c2ccccn2"	0	""	""	2	2	5367237	""
"668298"	"668298"	"1-(2-Methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C\c2ccccn2"	0	""	""	3	2	9554753	""
"668299"	"668299"	""	"CCN(CC)C(=S)N\N=C(\c1ccccc1)/c2ccccn2"	0	NA	NA	2	2	NA	""
"668300"	"668300"	""	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N3CCCCC3"	0	NA	NA	3	2	NA	""
"668301"	"668301"	""	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N3CCCCCC3"	0	NA	NA	3	2	NA	""
"668323"	"668323"	""	"Clc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	NA	NA	3	2	NA	""
"668324"	"668324"	""	"Clc1cccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)c1"	0	NA	NA	3	2	NA	""
"668325"	"668325"	""	"Clc1ccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)cc1"	0	NA	NA	3	2	NA	""
"668326"	"668326"	"1-[Phenyl(2-pyridinyl)methylene]-4-(2-methylphenyl)thiosemicarbazide"	"Cc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	3	3	6148953	""
"668327"	"668327"	"1-[Phenyl(2-pyridinyl)methylene]-4-(3-methylphenyl)thiosemicarbazide"	"Cc1cccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)c1"	0	""	""	3	3	5785686	""
"668328"	"668328"	""	"Cc1ccc(NC(=S)N\N=C(\c2ccccc2)/c3ccccn3)cc1"	0	NA	NA	3	2	NA	""
"668329"	"668329"	""	"COc1ccc(NC(=S)N\N=C(/c2ccccc2)\c3ccccn3)cc1"	0	NA	NA	3	2	NA	""
"668330"	"668330"	""	"[O-][N+](=O)c1ccc(NC(=S)N\N=C(/c2ccccc2)\c3ccccn3)cc1"	0	NA	NA	3	2	NA	""
"668331"	"668331"	"1-(2-Methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	3	2	5907304	""
"668332"	"668332"	"XQRQVHGTKWQPQV-PDGQHHTCSA-N"	"C\C(=N\NC(=S)Nc1ccccc1C)\c2ccccn2"	0	""	""	3	3	5923825	""
"668333"	"668333"	"1-(2-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccccc1Cl)\c2ccccn2"	0	""	""	3	2	5923821	""
"668334"	"668334"	"1-(p-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccc(C)cc1)\c2ccccn2"	0	""	""	3	3	5892010	""
"668335"	"668335"	"1-(3-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1cccc(Cl)c1)\c2ccccn2"	0	""	""	3	3	5494177	""
"668336"	"668336"	"1-(m-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1cccc(C)c1)\c2ccccn2"	0	""	""	3	2	5367272	""
"668337"	"668337"	"2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine"	"CCNC(=S)N\N=C(\C)/c1cccc(n1)\C(=N/NC(=S)NCC)\C"	0	""	""	3	2	6393657	""
"668338"	"668338"	""	"C\C(=N\NC(=S)N1CCCC1)\c2cccc(n2)\C(=N/NC(=S)N3CCCC3)\C"	0	NA	NA	1	1	NA	""
"668341"	"668341"	""	"CCN(CC)C(=S)N\N=C(\C)/c1cccc(n1)\C(=N/NC(=S)N(CC)CC)\C"	0	NA	NA	1	1	NA	""
"668348"	"668348"	""	"N=C1N2C(=Nc3ccccc13)Oc4ccccc24"	0	NA	NA	1	1	NA	""
"668351"	"668351"	"4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one"	"ClC1CCCC2(Cl)C(=O)NC3(CCCCC3)N=C12"	0	""	""	1	1	381562	""
"668352"	"668352"	"5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate"	"CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N"	0	""	""	1	1	381563	""
"668360"	"668360"	"Ethanone, 1,1'-[(1,1'-biphenyl)-2,2'-diyl] bis[2-(triphe..."	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccccc4c5ccccc5C(=O)C=P(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	2	381571	""
"668366"	"668366"	"MWJGINGFPOXZFR-PKNBQFBNSA-"	"CCSC(=O)\C=C\1/CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	2	1	5468313	""
"668370"	"668370"	"3,3-diiodo-2-phenyl-2-propenal"	"IC(=C(C=O)c1ccccc1)I"	0	""	""	2	2	381579	""
"668371"	"668371"	"3,3-diiodo-1,2-diphenyl-2-propen-1-one"	"IC(=C(C(=O)c1ccccc1)c2ccccc2)I"	0	""	""	1	1	381580	""
"668374"	"668374"	"N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide"	"CC(C)CNC(=O)Cn1c2CCCCc2c3ccccc13"	0	""	""	1	1	381583	""
"668376"	"668376"	"N-Cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide"	"O=C(Cn1c2CCCCc2c3ccccc13)NC4CCCCC4"	0	""	""	1	1	381585	""
"668380"	"668380"	"nitrophenyl-azatoxin"	"COc1cc(cc(OC)c1O)[C@H]2N3[C@H](COC3=O)C(Nc4ccc(cc4)[N+](=O)[O-])c5c2[nH]c6ccccc56"	0	""	""	3	3	381589	""
"668382"	"668382"	"trihydroxy-azatoxin"	"Oc1cc(cc(O)c1O)[C@H]2N3[C@H](COC3=O)Cc4c2[nH]c5ccccc45"	0	""	""	1	1	381591	""
"668383"	"668383"	"N-(2,3-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-N',N'-dimethylethane-1,2-diamine"	"COc1cc2c(NCCN(C)C)nc3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	381592	""
"668393"	"668393"	"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}quinoline-5,8-dione"	"Oc1c(Br)cc(CCNC2=CC(=O)c3ncccc3C2=O)cc1Br"	0	""	""	2	2	381593	""
"668394"	"668394"	"5,8-Quinolinedione, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)e..."	"Oc1c(Br)cc(CCNC2=CC(=O)c3cccnc3C2=O)cc1Br"	0	""	""	3	2	381594	""
"668404"	"668404"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6cocc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	381595	""
"668405"	"668405"	"Neuro_000404"	"c1ccc(cc1)\N=C\2/c3ccsc3\C(=N\c4ccccc4)\c5ccsc25"	0	""	""	3	2	381596	""
"668406"	"668406"	"6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one"	"Clc1ccc2OC(=C(C(=O)c2c1)C3=C(Oc4ccc(Cl)cc4C3=O)c5ccccc5)c6ccccc6"	0	""	""	2	2	381597	""
"668408"	"668408"	"6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one"	"Clc1cc2C(=O)C=C(Oc2c(c1)c3cc(Cl)cc4C(=O)C=C(Oc34)c5ccccc5)c6ccccc6"	0	""	""	1	1	381599	""
"668409"	"668409"	"4-Methyl-2-(1,3-thiazol-4-yl)phenol"	"Cc1ccc(O)c(c1)c2cscn2"	0	""	""	1	1	381600	""
"668410"	"668410"	"2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol"	"Cc1cc(Br)c(O)c(c1)c2cscn2"	0	""	""	1	1	381601	""
"668411"	"668411"	"4-Methyl-2-nitro-6-(1,3-thiazol-4-yl)phenol"	"Cc1cc(c(O)c(c1)[N+](=O)[O-])c2cscn2"	0	""	""	1	1	381602	""
"668414"	"668414"	"azobis-n,n'-dimethyleneisobutyroamidine"	"CC(C)(N=NC(C)(C)C1=NCCN1)C2=NCCN2"	0	""	""	2	1	88715	"20858122"
"668419"	"668419"	""	"COC(=O)\C=C(\C(=O)OC)/c1c(C)c(C)c2c(C)cc(C)cc(C)c12"	0	NA	NA	1	1	NA	""
"668421"	"668421"	"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)- 2-[3-(trifluorome..."	"FC(F)(F)Oc1cccc(c1)C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	381608	""
"668426"	"668426"	"Diethyl 2-[[5-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCC)C(=O)OCC"	0	""	""	1	1	381613	""
"668429"	"668429"	""	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"668432"	"668432"	"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoy"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc7c[nH]c8ccccc78)NC(=O)C(Cc9c[nH]c%10ccccc9%10)NC(=O)C(Cc%11c[nH]c%12ccccc%11%12)NC(=O)OC(C)(C)C"	0	""	""	1	1	16129895	""
"668434"	"668434"	"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(Cc7c[nH]c8ccccc78)NC(=O)OC(C)(C)C"	0	""	""	1	1	381617	""
"668448"	"668448"	"Methyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate"	"COC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CNC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	381625	""
"668454"	"668454"	"(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester"	"CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C"	0	""	""	1	1	381632	""
"668457"	"668457"	"Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-"	"CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)N2CCCC2C(=O)N"	0	""	""	1	1	381635	""
"668460"	"668460"	"Benzyl 2-[[1-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate"	"Cc1ccc(cc1)S(=O)(=O)n2cnc(CC(NC(=O)C3CCC(=O)N3C(=O)OCc4ccccc4)C(=O)N5CCCC5C(=O)NN)c2"	0	""	""	1	1	381638	""
"668467"	"668467"	"LS-65387"	"CN(C)CCNc1c(sc2ccc(Cl)cc12)[N+](=O)[O-]"	0	""	""	1	1	381648	""
"668468"	"668468"	"LS-41101"	"[O-][N+](=O)c1sc2ccc(Cl)cc2c1Nc3ccc(Cl)cc3"	0	""	""	1	1	381649	""
"668470"	"668470"	"Ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate"	"CCOC(=O)Nc1ccc2c3ccccc3nc(CCCCCCc4nc5ccccc5c6ccc(NC(=O)OCC)cc46)c2c1"	0	""	""	1	1	381651	""
"668473"	"668473"	"2-Amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(NC(=O)C4=C(N)C(=O)C(=C5Oc6c(C)ccc(C(=O)NC7C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C8CCCN8C(=O)C(Cc9ccccc9)NC7=O)c6N=C45)C)C(C)OC1=O"	0	""	""	2	2	16129896	""
"668475"	"668475"	"2-Amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxam"	"COc1ccc(CC2NC(=O)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(Cc8ccc(OC)cc8)NC6=O)c5N=C34)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C9CCCN9C2=O)cc1"	0	""	""	2	1	16129898	""
"668476"	"668476"	"2-Amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)O)c5N=C34)C)C(C)OC1=O)C(C)O"	0	""	""	2	2	381654	""
"668482"	"668482"	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-phenylthiourea"	"C\C(=N\NC(=S)Nc1ccccc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3)\C"	0	""	""	2	2	6374206	""
"668483"	"668483"	"1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccc(Cl)cc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccc(Cl)cc3)\C"	0	""	""	1	1	6376018	""
"668485"	"668485"	"1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"C\C(=N\NC(=S)Nc1ccccc1Cl)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3Cl)\C"	0	""	""	1	1	5905475	""
"668486"	"668486"	"1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"COc1ccc(NC(=S)N\N=C(\C)/c2cccc(n2)\C(=N/NC(=S)Nc3ccc(OC)cc3)\C)cc1"	0	""	""	1	1	6375828	""
"668488"	"668488"	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1ccc(C)cc1)\c2cccc(n2)\C(=N/NC(=S)Nc3ccc(C)cc3)\C"	0	""	""	1	1	6371881	""
"668489"	"668489"	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1cccc(C)c1)\c2cccc(n2)\C(=N/NC(=S)Nc3cccc(C)c3)\C"	0	""	""	1	1	6373421	""
"668490"	"668490"	"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea"	"C\C(=N\NC(=S)Nc1ccccc1C)\c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3C)\C"	0	""	""	1	1	6172220	""
"668491"	"668491"	"1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C(\C)/c2cccc(n2)\C(=N/NC(=S)Nc3ccccc3OC)\C"	0	""	""	1	1	5869044	""
"668493"	"668493"	"1,1-Diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"CCN(CC)C(=S)N\N=C\1/C(=O)Nc2ccccc12"	0	""	""	1	1	381665	""
"668494"	"668494"	"CBMicro_023136"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCC3"	0	""	""	2	2	381666	""
"668495"	"668495"	"N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCCC3"	0	""	""	1	1	381667	""
"668496"	"668496"	"STK396880"	"O=C1Nc2ccccc2/C/1=N/NC(=S)N3CCCCCC3"	0	""	""	1	1	381668	""
"668497"	"668497"	"Z44893431"	"Clc1ccccc1NC(=S)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	3005057	""
"668498"	"668498"	"1-(3-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"Clc1cccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)c1"	0	""	""	1	1	3005058	""
"668499"	"668499"	"1-(4-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"Clc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	3005059	""
"668501"	"668501"	"ARONIS017818"	"Cc1cccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)c1"	0	""	""	1	1	772848	""
"668502"	"668502"	"ARONIS017815"	"Cc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	707890	""
"668503"	"668503"	"STK795112"	"COc1ccccc1NC(=S)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	930589	""
"668523"	"668523"	"N,N-bis(2-chloropropyl)-N-methylammonium chloride"	"CC(Cl)CN(C)CC(C)Cl"	0	NA	NA	1	1	NA	""
"668525"	"668525"	""	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCc4cccc[n+]4[O-])c12"	0	NA	NA	2	2	NA	""
"668555"	"668555"	"Pectenotoxin II"	"C[C@H]1C[C@]2(C)CC[C@H](O2)[C@]34CC[C@](C)(C[C@H](O3)[C@@H]5O[C@@](C)(CC5=O)[C@@H](O)[C@H]6CC[C@@]7(CCC[C@@H](O7)[C@H](C)C(=O)O[C@H]8C[C@@H](O[C@H]8\C=C\C(=C\1)\C)[C@]9(O)OCC[C@H](C)[C@@H]9O)O6)O4"	0	""	""	2	2	5468320	"97564915"
"668569"	"668569"	"1-[1-(2,5-Dihydro-1H-pyrrole-2-carbonyl)-2,5-dihydropyrrole-2-carbonyl]-2,5-dihydropyrrole-2-carboxylic acid"	"OC(=O)C1C=CCN1C(=O)C2C=CCN2C(=O)C3NCC=C3"	0	""	""	1	1	381711	""
"668579"	"668579"	"Benzyl 2-[[3-(1H-imidazol-5-yl)-1-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate"	"COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3c[nH]cn3)NC(=O)C4CCC(=O)N4C(=O)OCc5ccccc5"	0	""	""	1	1	381719	""
"668599"	"668599"	"4-(3-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1cccc(c1)N2C(=O)C3C4CC(C)CCC4c5c([nH]c6ccc(C)cc56)C3C2=O"	0	""	""	1	1	381739	""
"668600"	"668600"	"4-(4-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(C)CCC4c5c([nH]c6ccc(C)cc56)C3C2=O"	0	""	""	1	1	381740	""
"668601"	"668601"	"1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	381741	""
"668602"	"668602"	"1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde"	"O=Cc1cn(CCCCCCCCCCCCn2cc(C=O)c3ccccc23)c4ccccc14"	0	""	""	1	1	381742	""
"668603"	"668603"	"3-[(E)-2-Nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole"	"[O-][N+](=O)\C=C\c1cn(CCCCCn2cc(\C=C\[N+](=O)[O-])c3ccccc23)c4ccccc14"	0	""	""	2	2	5468322	""
"668605"	"668605"	"11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(CCCCCn5c6ccccc6c7ccc8C(=O)C=CC(=O)c8c57)c23"	0	""	""	2	2	381745	""
"668814"	"668814"	"Kahalide F"	"CC[C@H](C)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(=C\C)\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@H](NC2=O)[C@@H](C)CC)C(C)C)C(C)C"	0	""	"Clinical trial"	1	1	9898671	"149204422"
"668822"	"668822"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)n2cnc3C(=O)NC(=Nc23)N"	0	NA	NA	2	2	NA	""
"668823"	"668823"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	1	1	NA	""
"668824"	"668824"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N2C=C(I)C(=NC2=O)N"	0	NA	NA	1	1	NA	""
"668825"	"668825"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)N"	0	NA	NA	1	1	NA	""
"668830"	"668830"	"9-Tert-butyl-4-(2-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4Cl)c5[nH]c6ccccc6c25"	0	""	""	1	1	381758	""
"668831"	"668831"	"9-Tert-butyl-4-(3,5-dibromophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cc(Br)cc(Br)c4)c5[nH]c6ccccc6c25"	0	""	""	1	1	381759	""
"668832"	"668832"	"9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccccc4[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	381760	""
"668833"	"668833"	"9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1cc(ccc1N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C)[N+](=O)[O-]"	0	""	""	1	1	381761	""
"668834"	"668834"	"4-[tert-butyl(dioxo)[?]yl]benzonitrile"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(cc4)C#N)c5[nH]c6ccccc6c25"	0	""	""	1	1	381762	""
"668835"	"668835"	"9-Tert-butyl-4-(2,6-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"Cc1cccc(C)c1N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	381763	""
"668836"	"668836"	"4-Cyclohexyl-9-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC1CCC2C(C1)C3C(C(=O)N(C4CCCCC4)C3=O)c5[nH]c6ccccc6c25"	0	""	""	1	1	381764	""
"668839"	"668839"	"9-Tert-butyl-4-(2,5-dichlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cc(Cl)ccc4Cl)c5[nH]c6ccccc6c25"	0	""	""	1	1	381767	""
"668841"	"668841"	"4-[tert-butyl(dioxo)[?]yl]benzoic acid"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(cc4)C(=O)O)c5[nH]c6ccccc6c25"	0	""	""	1	1	381769	""
"668842"	"668842"	"J3.493.451G"	"Cc1[nH]c2ccccc2c1C3=CC(=O)N(C3=O)c4ccccc4"	0	""	""	1	1	381770	""
"668843"	"668843"	"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione"	"O=C1C=C(C(=O)N1c2ccccc2)c3c([nH]c4ccccc34)c5ccccc5"	0	""	""	1	1	381771	""
"668844"	"668844"	"8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione"	"Cn1c2ccc(F)cc2c3ccc4C(=O)C=CC(=O)c4c13"	0	""	""	3	3	381772	""
"668851"	"668851"	"9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(cc4)[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	381785	""
"668876"	"668876"	"2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid"	"CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc3ccccc3)C(=O)O"	0	""	""	1	1	381798	""
"668890"	"668890"	"Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate"	"COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)OCc2ccccc2"	0	""	""	1	1	381817	""
"668896"	"668896"	"Methyl 2-[[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate"	"COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(COCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	381824	""
"668898"	"668898"	"Methyl 4-methyl-2-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]pentanoate"	"COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	381826	""
"668899"	"668899"	"Methyl 4-methyl-2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]acetyl]amino]pentanoate"	"COC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	381827	""
"668900"	"668900"	""	"CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	NA	NA	2	2	NA	""
"668901"	"668901"	""	"CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc3ccccc3)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"668910"	"668910"	"Z44602764"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	381837	""
"668911"	"668911"	"1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=S)Nc2cccc3ccccc23"	0	""	""	1	1	3755655	""
"668912"	"668912"	"1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2cccc(c2)C(F)(F)F"	0	""	""	1	1	381839	""
"668913"	"668913"	"1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea"	"COc1ccc(NC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1"	0	""	""	1	1	381840	""
"668915"	"668915"	"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate"	"COC1(C[C@H](C)[C@@]23O[C@]24c5cc(O)ccc5N([C@H]3C#C\C=C/C#C[C@]14O)C(=O)OCC=C)OC"	0	""	""	1	1	54608202	""
"668916"	"668916"	"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate"	"C[C@H]1CC(=O)[C@@]2(O)C#C\C=C/C#C[C@@H]3N(C(=O)OCC=C)c4ccc(O)cc4[C@]25O[C@@]135"	0	""	""	1	1	54600914	""
"668917"	"668917"	"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate"	"COC12C=CC(=O)C=C1[C@@]34O[C@]35[C@@H](C)CC(=O)[C@@]4(O)C#C\C=C/C#C[C@@H]5N2C(=O)OCC=C"	0	""	""	1	1	54608203	""
"668918"	"668918"	"(1S,2S,5R,8Z,12S,20S)-5-Hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one"	"COC1(C[C@H](C)[C@@]23O[C@]24C5=CC(=O)C=CC5=N[C@H]3C#C\C=C/C#C[C@]14O)OC"	0	""	""	2	2	54608874	""
"669020"	"669020"	"N-[(E)-(2-Methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine"	"COc1ccccc1\C=N\Nc2nnc3c4ccccc4c5ncccc5c3n2"	0	""	""	1	1	9556167	""
"669022"	"669022"	""	"COc1cc(\C=C\C=C\2/CCC\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	1	1	NA	""
"669023"	"669023"	""	"COc1cc(\C=C\C=C\2/CC(C)C\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	1	1	NA	""
"669034"	"669034"	""	"COC([C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c2ccccc2)C(O)COC(=O)c3ccccc3)N4C=C(C)C(=O)NC4=O"	0	NA	NA	1	1	NA	""
"669145"	"669145"	"Lychnopholide"	"C\C=C(\C)/C(=O)O[C@H]1C[C@]2(C)OC(=CC2=O)\C(=C/[C@H]3OC(=O)C(=C)[C@H]13)\C"	0	NA	NA	2	2	NA	"77448647"
"669146"	"669146"	"Eremantholide C"	"CC(=C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)\C(=C/[C@@H]4OC(=O)[C@@]1(C)[C@@H]24)\C"	0	NA	NA	2	2	NA	"69883972"
"669148"	"669148"	""	"CC(C)C1CC[C@H](C)C[C@@H]1OC(=O)C(C(O)[C@@H]2OC(C)(C)O[C@H]2C3COC(C)(C)O3)C(=O)O[C@H]4C[C@@H](C)CCC4C(C)C"	0	NA	NA	1	1	NA	""
"669149"	"669149"	"4-azido-3-benzyl-coumarin"	"[N-]=[N+]=NC1=C(Cc2ccccc2)C(=O)Oc3ccccc13"	0	""	""	1	1	381886	""
"669150"	"669150"	"3-azido-3-phenyl-quinoline-2,4-dione"	"[N-]=[N+]=NC1(C(=O)Nc2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	381888	""
"669151"	"669151"	"4-azido-3-formyl-1-phenyl-2-quinolone"	"[N-]=[N+]=NC1=C(C=O)C(=O)N(c2ccccc2)c3ccccc13"	0	""	""	1	1	381889	""
"669152"	"669152"	"1-azido-2-phenyl-3-phenalenone"	"[N-]=[N+]=NC1=C(C(=O)c2cccc3cccc1c23)c4ccccc4"	0	""	""	1	1	381891	""
"669153"	"669153"	"3-azido-1-methyl-3-nonyl-quinoline-2,4-dione"	"CCCCCCCCCC1(N=[N+]=[N-])C(=O)N(C)c2ccccc2C1=O"	0	""	""	1	1	381893	""
"669154"	"669154"	"4-azido-2-chloro-3-nitro-quinoline"	"[O-][N+](=O)c1c(Cl)nc2ccccc2c1N=[N+]=[N-]"	0	""	""	2	2	381894	""
"669158"	"669158"	"1-Azido-2-formyl-benzo[ij]quinolizin-3-one"	"[N-]=[N+]=NC1=C(C=O)C(=O)N2CCCc3cccc1c23"	0	""	""	2	2	381901	""
"669160"	"669160"	"1-azido-2-(2-pyridyl)-phenalen-3-one"	"[N-]=[N+]=NC1=C(C(=O)c2cccc3cccc1c23)c4ccccn4"	0	""	""	1	1	381904	""
"669161"	"669161"	"3-azido-3-n-heptyl-quinoline-2,4-dione"	"CCCCCCCC1(N=[N+]=[N-])C(=O)Nc2ccccc2C1=O"	0	""	""	1	1	381906	""
"669162"	"669162"	"4-azido-2-chloro-3-morpholino-quinoline"	"Clc1nc2ccccc2c(N=[N+]=[N-])c1N3CCOCC3"	0	""	""	1	1	381907	""
"669165"	"669165"	"4-azido-3-chloro-1-methyl-2-quinolone"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)Cl"	0	""	""	1	1	381911	""
"669166"	"669166"	"4-azido-3-nitro-1-phenyl-2-quinolone"	"[O-][N+](=O)C1=C(N=[N+]=[N-])c2ccccc2N(C1=O)c3ccccc3"	0	""	""	1	1	381913	""
"669167"	"669167"	"4-azido-2-chloro-3-cyanoquinoline"	"Clc1nc2ccccc2c(N=[N+]=[N-])c1C#N"	0	""	""	2	2	381915	"157027311"
"669228"	"669228"	"2-trans-n-penten-1-yl estradiol"	"CCC\C=C\c1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	2	1	5468333	""
"669229"	"669229"	"2-trans-n-buten-1-yl-estradiol"	"CC\C=C\c1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCc2cc1O"	0	""	""	1	1	5468334	""
"669254"	"669254"	""	"CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	1	1	NA	""
"669257"	"669257"	""	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(N)C(=O)O"	0	NA	NA	1	1	NA	""
"669266"	"669266"	"2-[Hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium"	"CCCCCCCCCCCCCCCCP(=O)(O)OCC[N+](C)(C)C"	0	""	""	2	2	381954	""
"669268"	"669268"	"(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide"	"C[C@H](Sc1ccc(C)cc1)[C@@](O)(C(=O)N)c2ccccc2"	0	NA	NA	1	1	NA	""
"669270"	"669270"	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"669297"	"669297"	"3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide"	"CC(=O)N1C(CSC1c2ccccc2)C(=O)NNc3ccccc3"	0	""	""	1	1	381977	""
"669304"	"669304"	"1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one"	"O=C(CN1CCN(Cc2ccccc2)CC1)N3CCCN4C(=O)c5ccccc5N=C34"	0	""	""	1	1	381984	""
"669322"	"669322"	""	"CN(\N=C\c1ccc(Cl)c(Cl)c1)C2=NCCCCN2"	0	NA	NA	1	1	NA	""
"669341"	"669341"	""	"Clc1ccc(NC(=S)NN=C2NCCCCN2)cc1"	0	NA	NA	1	1	NA	""
"669349"	"669349"	"9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol"	"CC1Cc2cc(O)c(O)cc2c3cc(O)c(O)cc3CC1C"	0	""	""	1	1	382047	""
"669364"	"669364"	"AC1L8IIJ"	"COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC"	0	"PK:YK"	""	2	2	382057	""
"669365"	"669365"	"AC1L8IIM"	"Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1"	0	"PK:YK"	""	1	1	382058	""
"669377"	"669377"	""	"CCOP(=O)(OCC)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)N2C=C(C)C(=O)N(C)C2=O"	0	NA	NA	1	1	NA	""
"669380"	"669380"	"BRD-A75273200-001-06-5"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	3	2	382066	""
"669381"	"669381"	"2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate"	"COc1cc(cc(OC)c1OC(=O)C)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	382067	""
"669382"	"669382"	"2-(4-Hydroxy-3,5-dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	382068	""
"669384"	"669384"	"2-(4-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one"	"COc1ccc(cc1)C2C3=C(COC3=O)OC(C)(C)Oc4cc5OCOc5cc24"	0	""	""	2	2	382070	""
"669393"	"669393"	"2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine"	"[O-][n+]1ccccc1Sc2nc(Sc3cccc[n+]3[O-])nc(Sc4cccc[n+]4[O-])n2"	0	""	""	2	2	6712326	""
"669441"	"669441"	"Piperidin-4-one, 3,5-bis[(2,3,4-trimethoxyphenyl) methyl..."	"COc1ccc(\C=C\2/CN(C)C\C(=C/c3ccc(OC)c(OC)c3OC)\C2=O)c(OC)c1OC"	0	NA	NA	2	2	NA	""
"669442"	"669442"	""	"CN1C\C(=C/c2ccc(C)cc2)\C3=C(C1)C(NC(=N3)S)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"669443"	"669443"	""	"CN1C\C(=C/c2ccccc2Cl)\C3=C(C1)C(NC(=N3)S)c4ccccc4Cl"	0	NA	NA	1	1	NA	""
"669445"	"669445"	"7-Chloro-3-methyl-2-phenylquinolin-4(1H)-one"	"CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccccc3"	0	""	""	1	1	382086	""
"669446"	"669446"	"4(1H)-Quinolinone, 3-ethyl-2-phenyl-"	"CCC1=C(Nc2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	382087	""
"669448"	"669448"	"2-Phenylbenzotriazole-4,5-dione oxime"	"O\N=C/1\C(\c2c(C=C1)nn(n2)c3ccccc3)=N\O"	0	""	""	1	1	382089	""
"669452"	"669452"	"4-nitro-1,2,3-triazolo[4,5-e] benzofurazan"	"[O-][N+](=O)c1cc2[nH]nnc2c3nonc13"	0	""	""	1	1	6399355	""
"669455"	"669455"	"C12H6N6O4"	"[O-][N+](=O)c1ccc(cc1)n2nc3ccc4c(no[n+]4[O-])c3n2"	0	""	""	1	1	382096	""
"669456"	"669456"	"7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium"	"[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])n2nc3ccc4c(no[n+]4[O-])c3[n+]2[O-]"	0	""	""	2	1	382097	""
"669459"	"669459"	"2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone"	"COCn1cc(cn1)C2=C(C)C(=O)C(=C(C)C2=O)C"	0	""	""	1	1	382100	""
"669468"	"669468"	"7-Chloro-5-({2-[(2-hydroxyethyl)amino]ethyl}amino)-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(NCCNCCO)c12"	0	""	""	1	1	382104	""
"669469"	"669469"	"5-[Bis(2-hydroxyethyl)amino]-7-chloro-4-methylpyrimido[4,5-b]quinolin-2(3H)-one"	"Cc1nc(O)nc2nc3ccc(Cl)cc3c(N(CCO)CCO)c12"	0	""	""	1	1	382105	""
"669471"	"669471"	"difluoro[?]tetrone"	"FC1=CN2CCCCCCCN3C=C(F)C(=O)N(CCCCCCCN(C2=O)C1=O)C3=O"	0	""	""	1	1	382107	""
"669502"	"669502"	"Dimethyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(NO)c2)C(=O)OC)C"	0	""	""	1	1	382109	""
"669503"	"669503"	"Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2ccc(NO)cc2)C(=O)OC)C"	0	""	""	2	2	382110	""
"669504"	"669504"	"Dimethyl 2,6-dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N=O)C(=O)OC)C"	0	""	""	1	1	382111	""
"669505"	"669505"	"Dimethyl 2,6-dimethyl-4-(4-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2ccc(cc2)N=O)C(=O)OC)C"	0	""	""	2	2	382112	""
"669506"	"669506"	"Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(NO)c2)[N+](=O)[O-])C"	0	""	""	2	1	382113	""
"669508"	"669508"	"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	382115	""
"669509"	"669509"	"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C"	0	""	""	1	1	382116	""
"669511"	"669511"	"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	382118	""
"669513"	"669513"	"2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-])C"	0	""	""	1	1	382120	""
"669514"	"669514"	"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCc3ccc(cc3)[N+](=O)[O-])C"	0	""	""	1	1	382121	""
"669515"	"669515"	"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate"	"CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C"	0	""	""	2	1	382122	""
"669516"	"669516"	"Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)N=O)[N+](=O)[O-])C"	0	""	""	1	1	382123	""
"669517"	"669517"	"Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate"	"COC(=O)c1c(C)nc(C)c(NO)c1c2ccccc2C(F)(F)F"	0	""	""	1	1	382124	""
"669518"	"669518"	"NI-72"	"COC(=O)c1c(C)nc(C)c(N=O)c1c2ccccc2C(F)(F)F"	0	""	""	1	1	382125	""
"669520"	"669520"	"Cryptolepinone"	"CN1c2ccccc2C(=O)c3[nH]c4ccccc4c13"	0	""	""	1	1	178034	""
"669577"	"669577"	"Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate"	"CCOP(=O)(OCC)C(Cc1ccc(OC)c(OC)c1)N=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	382131	""
"669579"	"669579"	"[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid"	"NC(Cc1ccc(O)c(O)c1)P(=O)(O)O"	0	""	""	1	1	382133	""
"669583"	"669583"	""	"COC(=O)\C(=C/c1cn(C(=O)C)c2ccccc12)\P(=O)(OC)OC"	0	NA	NA	1	1	NA	""
"669589"	"669589"	"Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate"	"O=C(CCC(C(=O)OCc1ccccc1)C(=O)OCc2ccccc2)Nc3ccc(OCc4ccccc4)cc3"	0	""	""	1	1	382145	""
"669592"	"669592"	"N-[(E)-1-Dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide"	"COP(=O)(OC)\C(=C\c1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4)\NC=O"	0	""	""	1	1	5468398	""
"669598"	"669598"	"AXLRKQHOEWAMSP-UHFFFAOYSA-N"	"CC(=O)OCc1cncn1S(=O)(=O)c2ccc(C)cc2"	0	""	""	2	2	382152	""
"669602"	"669602"	"Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate"	"CCOC(=O)C1=C(c2ccccc2)C13N(Cc4ccccc4)C(=O)C3(c5ccccc5)c6ccccc6"	0	""	""	1	1	382155	""
"669604"	"669604"	"2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene"	"C1CSCCSc2ccc(SCCSC1)nn2"	0	""	""	1	1	382156	""
"669607"	"669607"	"2,5,9,12-Tetrathia-20,21-diazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene"	"C1CSCCSc2nnc(SCCSC1)c3ccccc23"	0	""	""	1	1	382159	""
"669610"	"669610"	""	"COCC(\N=C/N1CCCc2ccccc2[C@@H]1CCCCl)C(C)(C)C"	0	NA	NA	1	1	NA	""
"669615"	"669615"	""	"COc1cc(OC)cc(c1)N(C)Cc2cnc3nc(N)nc(N)c3c2C"	0	NA	NA	2	2	NA	""
"669634"	"669634"	"Benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate"	"COP(=O)(OC)C(Cc1c[nH]c2ccccc12)NC(=O)OCc3ccccc3"	0	""	""	1	1	382175	""
"669637"	"669637"	""	"CCOC(=O)\C(=C\c1cn(C(=O)C)c2ccccc12)\P(=O)(OC)OC"	0	NA	NA	1	1	NA	""
"669638"	"669638"	"N-[(E)-2-(1-Acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide"	"COP(=O)(OC)\C(=C\c1cn(C(=O)C)c2ccccc12)\NC(=O)C"	0	""	""	1	1	5468401	""
"669641"	"669641"	"J-500499"	"OCc1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	382182	""
"669654"	"669654"	""	"CCC(NC(C)c1ccccc1)C(=O)c2ccc(OCc3ccccc3)c(OCc4ccccc4)c2"	0	NA	NA	1	1	NA	""
"669656"	"669656"	"Tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate"	"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N2CCCC2C(=O)N"	0	""	""	1	1	382197	""
"669666"	"669666"	""	"CC(C)(C)OC(=O)NCCc1ccc(N)cc1"	0	NA	NA	1	1	NA	""
"669667"	"669667"	""	"Nc1ccc(OCC(O)N2C(=O)c3ccccc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"669671"	"669671"	"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile"	"CC(NC(CC12CC3CC(CC(C3)C1)C2)C#N)c4ccccc4"	0	""	""	1	1	382213	""
"669677"	"669677"	"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate"	"O=C(CC(NC(=O)OCc1ccccc1)C(=O)Nc2ccc(cc2)C#N)OCc3ccccc3"	0	""	""	2	1	382220	""
"669678"	"669678"	"Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate"	"COC(=O)C(CC=C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"	0	""	""	2	1	382221	""
"669680"	"669680"	"Phosphinic acid, [1-(hydroxyimino)-2-phenylethyl] methyl..."	"COP(=O)(C)\C(=N/O)\Cc1ccccc1"	0	""	""	1	1	6082545	""
"669681"	"669681"	"Phosphinic acid, [1-amino-(3-methylthio)propyl]methyl-"	"CSCCC(N)P(=O)(C)O"	0	""	""	2	1	382225	""
"669683"	"669683"	"N-[(Z)-1-Dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)ethenyl]formamide"	"COP(=O)(OC)\C(=C/C1=CN(CN1)C(c2ccccc2)(c3ccccc3)c4ccccc4)\NC=O"	0	""	""	1	1	5468402	""
"669691"	"669691"	"Phosphinic acid, (aminophenylmethyl)methyl-"	"CP(=O)(O)C(N)c1ccccc1"	0	""	""	1	1	382237	""
"669697"	"669697"	"3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one"	"CCCC1=CC=C(OC1=O)C(C)C(O)\C(=C\C\C=C(/C)\C\C(=C\C(=C\CC(O)C(C)C(O)\C(=C\C)\C)\C)\C)\C"	0	""	""	1	1	5468405	""
"669700"	"669700"	"6-Thiocyanatohexa-1,5-diynyl thiocyanate"	"N#CSC#CCCC#CSC#N"	0	""	""	1	1	382245	""
"669701"	"669701"	"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate"	"CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1"	0	""	""	1	1	382246	""
"669713"	"669713"	"[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate"	"CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc2ccccc2"	0	""	""	1	1	382258	""
"669718"	"669718"	"2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one"	"CC(C)CC1N=C(OCc2ccccc2)OC1=O"	0	""	""	1	1	382265	""
"669727"	"669727"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate"	"C\C(=C/C=C/C(=C/C(=O)OC1CC(OC1CO)N2C=C(F)C(=O)NC2=O)/C)\C=C\C3=C(C)CCCC3(C)C"	0	""	""	2	2	5468408	""
"669728"	"669728"	"[3-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohe"	"C\C(=C/C=C/C(=C/C(=O)OCC1OC(CC1OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)N3C=C(F)C(=O)NC3=O)/C)\C=C\C4=C(C)CCCC4(C)C"	0	""	""	2	2	5468409	""
"669732"	"669732"	""	"CN(C)CC1CCC\C(=C/c2ccccc2)\C1=O"	0	NA	NA	1	1	NA	""
"669733"	"669733"	""	"CN(C)CC1CCC\C(=C/c2ccc(C)cc2)\C1=O"	0	NA	NA	1	1	NA	""
"669734"	"669734"	""	"CN(C)CC1CCC\C(=C/c2ccc(cc2)N(C)C)\C1=O"	0	NA	NA	1	1	NA	""
"669735"	"669735"	""	"O=C1C(CN2CCCCC2)CCC/C/1=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"669736"	"669736"	""	"Cc1ccc(\C=C\2/CCCC(CN3CCCCC3)C2=O)cc1"	0	NA	NA	1	1	NA	""
"669738"	"669738"	"1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one"	"CC(C)C(=O)\C=C\c1ccc(Cl)cc1Cl"	0	""	""	1	1	5906743	""
"669739"	"669739"	"1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one"	"CC(C)C(=O)\C=C\c1c(Cl)cccc1Cl"	0	""	""	1	1	5817094	""
"669750"	"669750"	"Tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate"	"COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"	0	""	""	1	1	382288	""
"669755"	"669755"	"4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid"	"OC(=O)CC(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	382293	""
"669757"	"669757"	"Boc-Asp(OtBu)-ONp"	"CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	382295	""
"669759"	"669759"	"Tert-butyl 4-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate"	"COC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)c1ccccc1"	0	""	""	1	1	382297	""
"669776"	"669776"	"Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate"	"COC(=O)C1(CC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C"	0	""	""	1	1	382318	""
"669777"	"669777"	"Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate"	"CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N"	0	""	""	1	1	382319	""
"669781"	"669781"	""	"COC(=O)C1(CCCCCCC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	NA	NA	1	1	NA	""
"669793"	"669793"	"1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate"	"C[n+]1cccc2ccc3cccnc3c12"	0	""	""	1	1	382323	""
"669794"	"669794"	"4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one"	"CC(C)(C)c1cc2OC(=O)Cc2c(c1O)C(C)(C)C"	0	""	""	1	1	382325	""
"669797"	"669797"	"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate"	"CC(=O)Oc1c(C)cc2N(CC(C)(C)c2c1C)C(=O)C(C)(C)C"	0	""	""	1	1	382328	""
"669800"	"669800"	"1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol"	"Cc1cn(C(=O)C(C)(C)C)c2c(C)c(C)c(O)c(C)c12"	0	""	""	1	1	382331	""
"669807"	"669807"	"3-Bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide"	"Cc1ccc(NC(=O)c2cccc(OP(=O)(Nc3ccc(C)cc3)Nc4ccc(C)cc4)c2)cc1"	0	""	""	1	1	382340	""
"669815"	"669815"	"5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione"	"CC(C)CC1C(=O)OC(C)(C)OC1=O"	0	""	""	1	1	382346	""
"669816"	"669816"	"Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate"	"COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3"	0	""	""	1	1	382347	""
"669817"	"669817"	"Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate"	"COC(=O)C1(CC1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"	0	""	""	1	1	382348	""
"669821"	"669821"	"Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate"	"CC(C)C(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	2	2	382352	""
"669829"	"669829"	"4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	"CN1N=C(OC1c2cccc(c2)C(F)(F)F)c3ccncc3"	0	""	""	1	1	382359	""
"669830"	"669830"	"4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine"	"CN1N=C(OC1c2ccc(cc2)C(F)(F)F)c3ccncc3"	0	""	""	1	1	382360	""
"669884"	"669884"	"1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine"	"COc1cccc(c1)C2C(C)C(C)(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	1	1	382365	""
"669885"	"669885"	"4-[7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"CCC1C(Oc2cc3OCOc3cc2C1c4cc(OC)c(OC)c(OC)c4)N5CCOCC5"	0	""	""	1	1	382366	""
"669886"	"669886"	"4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"COc1cc(cc(OC)c1OC)C2CC(C)(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	382367	""
"669887"	"669887"	"Neuro_000405"	"COc1cc(cc(OC)c1OC)C2CC(C)(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	3	2	382368	""
"669888"	"669888"	"Ethyl 2-[2,6-dimethoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenoxy]acetate"	"CCOC(=O)COc1c(OC)cc(cc1OC)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	382369	""
"669889"	"669889"	"4-[8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine"	"COc1cccc(c1)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	1	1	382370	""
"669936"	"669936"	"2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-"	"CSC1=C(N(C(=O)N1c2ccccc2)c3ccc(Br)cc3SC)C(=O)c4ccccc4"	0	""	""	1	1	382378	""
"669939"	"669939"	"1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC1SCc2nc3ccccc3n12"	0	""	""	1	1	382381	""
"669940"	"669940"	"1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC1(C)SCc2nc3ccccc3n12"	0	""	""	1	1	382382	""
"669942"	"669942"	"1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"CC(C)C1SCc2nc3ccccc3n12"	0	""	""	1	1	382384	""
"669943"	"669943"	"1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole"	"Cc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	1	1	382385	""
"669947"	"669947"	"F2503-0151"	"Clc1ccc(cc1)C(=O)CSC2=Nc3[nH]ncc3C(=O)N2"	0	""	""	1	1	135409221	""
"669965"	"669965"	"6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one"	"CN(C)CCNc1ccc2ncnc3c4ccccc4C(=O)c1c23"	0	""	""	3	2	438787	""
"669973"	"669973"	"Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate"	"COC(=O)Cc1cccc2C(=O)C(=C(Oc12)c3ccccc3)S(=O)(=O)NC(=O)Nc4ccc(Cl)cc4"	0	""	""	1	1	382412	""
"669977"	"669977"	"6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone"	"CN1CC(=CC2=C1C=CC(=N)/C/2=N\N)c3ccccc3"	0	""	""	1	1	382414	""
"669981"	"669981"	""	"CC1(CC2\C(=N/O)\CCCC2=[N+]1[O-])N3CCOCC3"	0	NA	NA	1	1	NA	""
"669983"	"669983"	""	"CC1=NOC2(C1)\C(=N\O)\CCC/C/2=N\O"	0	NA	NA	1	1	NA	""
"669985"	"669985"	"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-"	"Oc1c(cc(c2cc(N3CCOCC3)c(O)c4ccccc24)c5ccccc15)N6CCOCC6"	0	""	""	1	1	382422	""
"669992"	"669992"	"4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole"	"C(C1COC(=N1)c2cccs2)c3ccccc3"	0	""	""	2	1	382426	""
"669995"	"669995"	""	"C(N1CCC(CC1)C2CCN(Cc3cccc4ccccc34)CC2)c5cccc6ccccc56"	0	NA	NA	2	2	NA	""
"669997"	"669997"	"9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine"	"Clc1ccc2OC3=Nc4ccccc4C(=N)N3c2c1"	0	""	""	1	1	382430	""
"669998"	"669998"	"8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride"	"[O-][N+](=O)c1ccc2N3C(=Nc4ccccc4C3=N)Oc2c1"	0	""	""	1	1	382432	""
"669999"	"669999"	"8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione"	"CC1=CC(=O)Oc2c1ccc3OC(CC(=O)c23)c4ccc(Br)cc4"	0	""	""	1	1	382434	""
"670006"	"670006"	"Glycine, N,N-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carb..."	"[O-][N+](=O)c1ccc(OC(=O)CN(C(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)O[C@@]56CC7CC(C[C@@H](C7)C5)C6)cc1"	0	""	""	1	1	382440	""
"670007"	"670007"	""	"CC(=O)OC[C@H]1OC=C[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H]3OC(C)(C)O[C@@H]3C2OC(=O)C"	0	NA	NA	1	1	NA	""
"670013"	"670013"	"Benzene-1,4-dicarboxamide, N,N'-bis[3-[(dimethylamino)me..."	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cc(CN(C)C)cc(c3)N(CC)CCCl)c1"	0	NA	NA	2	2	NA	""
"670036"	"670036"	"7-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione"	"OCC1OC(C(O)C1O)c2scc3C(=S)NC=Nc23"	0	""	""	3	3	3005067	""
"670038"	"670038"	"Cryptophycin B"	"COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)[C@H](C)[C@H]3O[C@@H]3c4ccccc4)cc1"	0	""	""	2	2	5468424	""
"670049"	"670049"	""	"Brc1cccc(\C=C\2/CSC\C(=C/c3cccc(Br)c3)\C2=O)c1"	0	NA	NA	1	1	NA	""
"670051"	"670051"	""	"Clc1ccc(\C=C\2/CSC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"670052"	"670052"	""	"COc1ccc(\C=C\2/CSC\C(=C/c3ccc(OC)c(OC)c3OC)\C2=O)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"670057"	"670057"	"(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione"	"COc1ccc(\C=C/2\CSCC3=C2N=C(S)NC3c4ccc(OC)c(OC)c4OC)c(OC)c1OC"	0	""	""	1	1	6280003	""
"670060"	"670060"	""	"Clc1ccc(\C=C/2\CSCC3=C2N=C4SCC(=O)N4C3c5ccc(Cl)cc5)cc1"	0	NA	NA	1	1	NA	""
"670093"	"670093"	"1-(1-Dimethoxyphosphoryl-1-methyl-ethyl)-3-(trifluoromethyl)urea"	"COP(=O)(OC)C(C)(C)NC(=O)NC(F)(F)F"	0	""	""	1	1	382487	""
"670110"	"670110"	"N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide"	"CCOP(=O)(OCC)C(C)(CC)N\C(=N/C1=NC(N=C(O1)C(F)(F)F)(C(F)(F)F)C(F)(F)F)\NC(NC(=O)C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	5898147	""
"670111"	"670111"	"N-(2-Diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide"	"FC(F)(F)C(C(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c2ccccc2)C(F)(F)F"	0	""	""	1	1	382505	""
"670112"	"670112"	""	"CCOP(=O)(OCC)C(C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"670115"	"670115"	""	"FC(F)(F)C(C(=O)Nc1ccc(cc1)S(=O)(=O)\N=C\2/N=CC=CN2C(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"670120"	"670120"	"Aclacinomycin X"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC"	0	""	""	2	2	382513	""
"670121"	"670121"	"11-Hydroxy aclacinomycin A"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6c(O)c5C1C(=O)OC"	0	""	""	2	1	438788	""
"670122"	"670122"	"11-Hydroxy aclacinomycin X"	"CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4OC(C)C(=O)C=C4N)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6c(O)c5C1C(=O)OC"	0	""	""	2	1	438789	""
"670123"	"670123"	"Polyozellin"	"CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(=O)C)c4oc5cc(O)c(O)cc5c14"	0	""	""	1	1	382514	""
"670124"	"670124"	"2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol"	"OCCN=C1c2ccccc2C3C4C(C3c5ccccc15)c6ccccc6C(=NCCO)c7ccccc47"	0	""	""	1	1	382515	""
"670130"	"670130"	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-butylcarbamate"	"CCCCNC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c3ccccc13"	0	""	""	1	1	382521	""
"670131"	"670131"	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c3ccccc13"	0	""	""	2	2	382522	""
"670132"	"670132"	"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-phenylcarbamate"	"BrC1C(Br)c2ccccc2C(=NCCOC(=O)Nc3ccccc3)c4ccccc14"	0	""	""	2	2	382523	""
"670134"	"670134"	"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate"	"[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OCCN=C2c3ccccc3CCc4ccccc24"	0	""	""	2	1	382525	""
"670138"	"670138"	"[(5H-Dibenzo[a,d][7]annulen-5-ylideneamino)oxy](phenyl)m..."	"O=C(ON=C1c2ccccc2C=Cc3ccccc13)c4ccccc4"	0	""	""	2	1	382529	""
"670140"	"670140"	"5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11..."	"BrC1C(Br)c2ccccc2C(=NOC(=O)c3ccccc3)c4ccccc14"	0	""	""	2	2	382531	""
"670141"	"670141"	"[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate"	"[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)ON=C2c3ccccc3C(Br)C(Br)c4ccccc24"	0	""	""	2	2	382532	""
"670149"	"670149"	""	"NC12CCC(CC1=O)C2"	0	NA	NA	1	1	NA	""
"670155"	"670155"	""	"CC(C)CCCC(C)C1CCC2[C@@H]3CC=C4C(C)(C)\C(=N\NC(=O)C)\CC[C@]4(C)C3CC[C@]12C"	0	NA	NA	1	1	NA	""
"670159"	"670159"	""	"CC1(C)CC2[C@H]1CC[C@@](C)(N=O)C(CCC2=C)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"670162"	"670162"	"Phosphonium, 1,8-octanediylbis[triphenyl-, diiodide"	"C(CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)CCC[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	NA	""
"670163"	"670163"	""	"C(CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)CC[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"670173"	"670173"	""	"CC1(C)C2CCC(C2)/C/1=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"670177"	"670177"	"4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate"	"CC(=O)Oc1c(C)cc(cc1C)c2cc(C)c(OC(=O)C)c(C)c2"	0	""	""	1	1	382569	""
"670178"	"670178"	"3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate"	"Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(c1)c4ccccc4"	0	""	""	1	1	382570	""
"670225"	"670225"	"cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl..."	"CN(C)CCO[C@@]1(Cc2ccc(C)cc2)CC[C@H](CC1)C(C)(C)C"	0	NA	NA	2	1	NA	""
"670226"	"670226"	"trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl..."	"CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C"	0	NA	NA	3	1	NA	""
"670227"	"670227"	"trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)o..."	"CN(C)CCOC1(CC2CCCCC2)CCC(CC1)C(C)(C)C"	0	""	""	4	1	5468429	""
"670228"	"670228"	"trans-2-((1-(2,4-dichlorophenyl-methyl)-4-tert.butylcycl..."	"CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(CC1)C(C)(C)C"	0	""	""	2	1	5468430	""
"670230"	"670230"	"4,5-Dimethyl-11H-pyrido[4,3-a]carbazole"	"Cc1cc2c3ccccc3[nH]c2c4ccnc(C)c14"	0	""	""	2	2	382590	""
"670263"	"670263"	"2-Ethyl-9-(isopropylideneamino)-2-methyl-1H-purine-6-carboxamide"	"CCC1(C)NC(=C2N=CN(N=C(C)C)C2=N1)C(=O)N"	0	""	""	1	1	135409229	""
"670264"	"670264"	"9-Benzyl-6-methoxy-2-methyl-9H-purine"	"COc1nc(C)nc2c1ncn2Cc3ccccc3"	0	""	""	1	1	382623	""
"670269"	"670269"	"4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol"	"Oc1ccc(Cl)cc1c2cc(nc(S)n2)c3ccccc3"	0	""	""	1	1	3005076	""
"670270"	"670270"	"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea"	"COc1cc(cc(OC)c1OC)C2C(C)C(NNC(=S)N)Oc3cc4OCOc4cc23"	0	""	""	2	2	3807643	""
"670283"	"670283"	"2,2'-Spirobi[2H-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5..."	"O=C1CCCc2cc3CC4(Cc5cc6CCCC(=O)c6cc5C4)Cc3cc12"	0	""	""	3	2	382634	""
"670284"	"670284"	"Spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5',9-dione"	"O=C1CCCc2cc3CC4(Cc3cc12)Cc5ccc6CCCC(=O)c6c5C4"	0	""	""	1	1	382635	""
"670289"	"670289"	"Ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate"	"CCOC(=O)\C(=C\c1ccc2CC3(Cc4cc(CC)c(cc4C3)C(C)O)Cc2c1)\C#N"	0	""	""	3	2	6477478	""
"670294"	"670294"	"Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3cc4CCCc4cc3C2"	0	""	""	1	1	382646	""
"670298"	"670298"	"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-"	"O=C1c2c(CC13Cc4ccccc4C3)ccc5CCCc25"	0	""	""	1	1	382650	""
"670302"	"670302"	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-"	"O=C1c2c(CC13Cc4ccccc4C3)ccc5CCCCc25"	0	""	""	2	2	382654	""
"670305"	"670305"	"2,2'-spirobi[indane]-1'-ol"	"OC1c2ccccc2CC13Cc4ccccc4C3"	0	""	""	1	1	382657	""
"670307"	"670307"	"Methyl 3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CCCc2cc3CC4(Cc5ccccc5C4=O)Cc13"	0	""	""	1	1	382659	""
"670309"	"670309"	"5-Acetylspiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one"	"CC(=O)c1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3=O"	0	""	""	1	1	382661	""
"670312"	"670312"	"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-"	"CC(=O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6cc5C4=O)Cc13"	0	""	""	2	1	382664	""
"670313"	"670313"	"Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6cc5C4=O)Cc13"	0	""	""	1	1	382665	""
"670315"	"670315"	"2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one"	"BrC1Cc2cc3CCCc3cc2C1=O"	0	""	""	2	2	382667	""
"670327"	"670327"	"1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3- dihydr..."	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccccc4C1=O"	0	""	""	1	1	382679	""
"670328"	"670328"	"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"CCOC(=O)C1(Cc2ccc3CCCc3c2)Cc4cc5CCCc5cc4C1=O"	0	""	""	2	1	382680	""
"670329"	"670329"	"Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate"	"CCOC(=O)C1(Cc2ccc(C)cc2)Cc3ccc(C)cc3C1=O"	0	""	""	3	3	382681	""
"670337"	"670337"	"Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3cc4CCCc4cc3C2=O"	0	""	""	3	3	382689	""
"670345"	"670345"	""	"COC(=O)c1ccccc1\C=C\2/Cc3cc4CCCc4cc3C2=O"	0	NA	NA	1	1	NA	""
"670350"	"670350"	"Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate"	"CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)OCc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	382702	""
"670356"	"670356"	""	"COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"670358"	"670358"	"Benzyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetate"	"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)OCc3ccccc3"	0	""	""	1	1	382709	""
"670359"	"670359"	"Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	"COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C"	0	""	""	1	1	382710	""
"670360"	"670360"	"Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate"	"CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(COCc2ccccc2)NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3"	0	""	""	1	1	382711	""
"670361"	"670361"	"Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate"	"CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2"	0	""	""	1	1	382712	""
"670363"	"670363"	"3,3,3-Trifluoro-2-methoxy-2-phenyl-1-(6-propan-2-yl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-1-yl)propan-1-one"	"COC(C(=O)N1OCC2CN(CC=C)C(C(C)C)C12)(c3ccccc3)C(F)(F)F"	0	""	""	1	1	382714	""
"670390"	"670390"	""	"CCCCCC[n+]1noc(N)c1c2ccc(cc2)c3c(N)on[n+]3CCCCCC"	0	NA	NA	2	1	NA	""
"670393"	"670393"	""	"CC(=O)OC1CCC(OC(=O)C)[C@@H]2[C@H]1[C@H]3S[C@@H]2c4ccccc34"	0	NA	NA	1	1	NA	""
"670398"	"670398"	"1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester"	"CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C"	0	""	""	1	1	382725	""
"670404"	"670404"	"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-"	"O=C1CCc2cc3CC4(Cc5ccccc5C4)Cc3cc12"	0	""	""	2	2	382726	""
"670405"	"670405"	"1,1',3,3',6,7-hexahydro-8H-spiro[as-indacene-2,2'-inden]-8-one"	"O=C1CCc2ccc3CC4(Cc5ccccc5C4)Cc3c12"	0	""	""	1	1	382727	""
"670406"	"670406"	"Spiro[2H-benz[f]indene-2,2'-[2H]inden]-5(1H)-one, 1',3,3',6,7,8-hexahydro-"	"O=C1CCCc2cc3CC4(Cc5ccccc5C4)Cc3cc12"	0	""	""	1	1	382728	""
"670407"	"670407"	"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-"	"O=C1CCCc2ccc3CC4(Cc5ccccc5C4)Cc3c12"	0	""	""	1	1	382729	""
"670408"	"670408"	"5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one"	"CC(=O)c1ccc2CC3(Cc2c1)Cc4cc5CCC(=O)c5cc4C3"	0	""	""	2	2	382730	""
"670409"	"670409"	"5-Ethylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one"	"CCc1ccc2CC3(Cc2c1)Cc4cc5CCC(=O)c5cc4C3"	0	""	""	1	1	382731	""
"670410"	"670410"	"Methyl 4-oxo-4-(6'-oxospiro[1,3-dihydroindene-2,2'-3,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene]-5-yl)butanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccc5C(=O)CCCc5c4C3)Cc2c1"	0	""	""	2	2	382732	""
"670411"	"670411"	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-"	"OC(=O)CCCc1ccc2CC3(Cc2c1)Cc4cc5CCCCc5cc4C3"	0	""	""	1	1	382733	""
"670412"	"670412"	"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester"	"COC(=O)CCCc1ccc2CC3(Cc2c1)Cc4cc5CCCCc5cc4C3"	0	""	""	1	1	382734	""
"670413"	"670413"	"4'-Ethyl-5-methylspiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-as-indacene]-1'-one"	"CCc1cc2CC3(Cc4ccc(C)cc4C3)Cc2c5C(=O)CCc15"	0	""	""	1	1	382735	""
"670414"	"670414"	"2,2'-Spirobiindan-5-carbaldehyd"	"O=Cc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	382736	""
"670415"	"670415"	"Methyl (E)-3-(2,2'-spirobi[1,3-dihydroindene]-5-yl)prop-2-enoate"	"COC(=O)\C=C\c1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	5926262	""
"670417"	"670417"	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-"	"OC(=O)CCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	382739	""
"670418"	"670418"	"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	"COC(=O)CCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	382740	""
"670419"	"670419"	"Methyl 4-oxo-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)butanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	382741	""
"670420"	"670420"	"2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester"	"COC(=O)CCCc1ccc2CC3(Cc4ccccc4C3)Cc2c1"	0	""	""	1	1	382742	""
"670421"	"670421"	"2,2'-spirobi[indane]-5,5'-dicarbaldehyde"	"O=Cc1ccc2CC3(Cc4ccc(C=O)cc4C3)Cc2c1"	0	""	""	2	2	382743	""
"670423"	"670423"	"2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester"	"COC(=O)CCc1ccc2CC3(Cc4ccc(CCC(=O)OC)cc4C3)Cc2c1"	0	""	""	1	1	382745	""
"670424"	"670424"	"Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate"	"COC(=O)CCC(=O)c1ccc2CC3(Cc4ccc(cc4C3)C(=O)CCC(=O)OC)Cc2c1"	0	""	""	1	1	382746	""
"670425"	"670425"	"[5'-[(E)-Hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol"	"OCc1ccc2CC3(Cc4ccc(\C=N\O)cc4C3)Cc2c1"	0	""	""	2	2	9556171	""
"670426"	"670426"	"Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	1	1	382748	""
"670427"	"670427"	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	1	1	382749	""
"670428"	"670428"	"4-Acetylspiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCC(=O)c6cc5C4)Cc13"	0	""	""	2	2	382750	""
"670429"	"670429"	"Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-"	"CC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)C)c5C4)Cc13"	0	""	""	1	1	382751	""
"670430"	"670430"	"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-"	"O=Cc1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C=O)c5C4)Cc13"	0	""	""	2	1	382752	""
"670431"	"670431"	"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)OC)c5C4)Cc13"	0	""	""	1	1	382753	""
"670432"	"670432"	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C(=O)C)c5C4)Cc13"	0	""	""	1	1	382754	""
"670433"	"670433"	"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester"	"COC(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6c(C=O)c5C4)Cc13"	0	""	""	1	1	382755	""
"670437"	"670437"	"6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarbaldehyde"	"O=Cc1c2CCCc2cc3CC4(Cc5cc6CCCc6c(C=O)c5C4)Cc13"	0	""	""	1	1	382759	""
"670439"	"670439"	"1-[4'-(1-Hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol"	"CC(O)c1c2CCCc2cc3CC4(Cc5cc6CCCc6c(C(C)O)c5C4)Cc13"	0	""	""	1	1	382761	""
"670453"	"670453"	"Spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione"	"O=C1c2cc3CCCCc3cc2CC14Cc5ccc6CCCc6c5C4=O"	0	""	""	1	1	382775	""
"670460"	"670460"	"Methyl (E)-3-indan-5-ylprop-2-enoate"	"COC(=O)\C=C\c1ccc2CCCc2c1"	0	""	""	1	1	5923570	""
"670547"	"670547"	"Epothilon A and Epothilon B (4:1 mixture)"	"C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C.C[C@H]4CCC[C@@]5(C)O[C@H]5C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]4O)\C(=C\c6csc(C)n6)\C"	0	""	""	3	2	54608765	""
"670550"	"670550"	"7H-Pyrrolo[2,3-d]pyrimidine, 5,6-dimethyl- 2,4-bis(methy..."	"Cc1c(C)n(c2ccccc2)c3nc(nc(c13)S(=O)(=O)C)S(=O)(=O)C"	0	""	""	2	2	382814	""
"670551"	"670551"	"9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine"	"CC(c1ccccc1)n2c3ccccc3c4c(N)ncnc24"	0	""	""	1	1	382815	""
"670558"	"670558"	"2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene"	"Cc1ccc(cc1)c2cc[n+]3c(oc4ccccc34)n2"	0	""	""	1	1	382822	""
"670564"	"670564"	""	"CC(C)(C)C(=O)O[C@H]1C=C[C@@H](O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@@H]12"	0	NA	NA	1	1	NA	""
"670653"	"670653"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate"	"OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	382829	""
"670654"	"670654"	"[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate"	"CCCC(=O)OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	382830	""
"670655"	"670655"	"4a,14a-Epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c] phen..."	"COC1(C[C@H](C)[C@@]23O[C@]24c5cc(O)c6C(=O)c7ccccc7C(=O)c6c5N[C@H]3C#C\C=C/C#C[C@]14O)OC"	0	""	""	3	3	54608144	""
"670656"	"670656"	"4a,14a-Epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c] phen..."	"C[C@H]1CC(=O)[C@@]2(O)C#C\C=C/C#C[C@@H]3Nc4c5C(=O)c6ccccc6C(=O)c5c(O)cc4[C@]27O[C@@]137"	0	""	""	2	2	54608726	""
"670663"	"670663"	"1-[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](NC(=O)NO)c4cc5OCOc5cc24"	0	""	""	1	1	382833	""
"670664"	"670664"	"3,4,7-Trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine"	"ClCCN(CCCl)P1(=O)Oc2ccc(Cl)cc2Sc3c(Cl)c(Cl)ccc3O1"	0	""	""	1	1	382835	""
"670667"	"670667"	"N,N-Bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	"Cc1cccc2C(OP(=O)(Oc12)N(CCCl)CCCl)C(Cl)(Cl)Cl"	0	""	""	1	1	382838	""
"670668"	"670668"	"N,N-Bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine"	"Cc1ccc2OP(=O)(OC(c2c1)C(Cl)(Cl)Cl)N(CCCl)CCCl"	0	""	""	1	1	382839	""
"670671"	"670671"	"Methyl N-(4-chlorophenyl)sulfonyl-N'-[2-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]ethyl]carbamimidothioate"	"CS\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\NCCN\C(=N\S(=O)(=O)c2ccc(Cl)cc2)\SC"	0	""	""	1	1	382841	""
"670673"	"670673"	"1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylis..."	"CS\C(=N\S(=O)(=O)c1ccc(Cl)cc1)\NCCCN\C(=N/S(=O)(=O)c2ccc(Cl)cc2)\SC"	0	""	""	1	1	382843	""
"670678"	"670678"	"Glutamic acid, N-[4-[[[2-(ethoxycarbonyl)-3-quinoxalinyl..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC"	0	""	""	2	2	382848	""
"670683"	"670683"	"YUBREKBGODHJOS-PKNBQFBNSA-N"	"Brc1ccc(\C=C\2/CCCCC2=O)cc1"	0	""	""	1	1	5374974	""
"670684"	"670684"	"NIOSH/GW1887500"	"[O-][N+](=O)c1ccc(\C=C\2/CCCCC2=O)cc1"	0	""	""	1	1	5468452	""
"670685"	"670685"	"2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole"	"Clc1ccc(\C=C\c2nc3ccccc3s2)cc1Cl"	0	""	""	1	1	5798722	""
"670686"	"670686"	""	"CN(C)CC1CCC\C(=C/c2ccc(Cl)cc2)\C1=O"	0	NA	NA	2	2	NA	""
"670687"	"670687"	""	"COc1ccc(\C=C\2/CCCC(CN(C)C)C2=O)cc1"	0	NA	NA	2	2	NA	""
"670688"	"670688"	""	"CN(C)CC1CCC\C(=C/c2ccc(Cl)c(Cl)c2)\C1=O"	0	NA	NA	2	2	NA	""
"670689"	"670689"	""	"O=C1CCCC1CN2CCCC2"	0	NA	NA	2	2	NA	""
"670692"	"670692"	"Neuro_000407"	"N1c2ccccc2c3nc4ccccc4c5cccc1c35"	0	""	""	3	2	438792	""
"670694"	"670694"	"17-Nitro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene"	"[O-][N+](=O)c1ccc2c(c1)nc3c4ccccc4Nc5cccc2c35"	0	""	""	2	2	438794	""
"670695"	"670695"	"12,20-Diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene"	"N1c2ccccc2c3nc4cc5ccccc5cc4c6cccc1c36"	0	""	""	1	1	438795	""
"670701"	"670701"	"9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate"	"CC(C)N(CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(C)C"	0	""	""	2	2	382867	""
"670702"	"670702"	"(Met5,Pro6,D-Phe7,D-Trp9,Phe10)-a-MSH (5-13)"	"CC(C)[N+]([O-])(CCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(C)C"	0	""	""	2	2	382869	""
"670757"	"670757"	"4-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid"	"OC(=O)CCCc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	""	""	1	1	382880	""
"670760"	"670760"	"Methyl 5-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-5-oxopentanoate"	"COC(=O)CCCC(=O)NC1=C(Nc2ccc(OC)cc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	382883	""
"670762"	"670762"	"Methyl 4-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(Nc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	3	2	382885	""
"670763"	"670763"	"3-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid"	"OC(=O)CCc1nc2C(=O)c3ccccc3C(=O)c2n1c4ccccc4"	0	""	""	1	1	382886	""
"670764"	"670764"	"Methyl 4-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(NCc2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	1	1	382887	""
"670765"	"670765"	"3-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid"	"OC(=O)CCc1nc2C(=O)c3ccccc3C(=O)c2n1Cc4ccccc4"	0	""	""	1	1	382888	""
"670766"	"670766"	"Methyl 4-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-4-oxobutanoate"	"COC(=O)CCC(=O)NC1=C(Nc2ccc(OC)cc2)C(=O)c3ccccc3C1=O"	0	""	""	3	2	382889	""
"670774"	"670774"	""	"COc1cc(\C=C\C=C\2/CC\C(=C/C=C/c3ccc(O)c(OC)c3)\C2=O)ccc1O"	0	NA	NA	3	3	NA	""
"670779"	"670779"	"1-[2-(2-Pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea"	"S=C(NCCc1ccccn1)N\N=C\c2ccccn2"	0	""	""	2	2	9571904	""
"670780"	"670780"	"1-Methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C\c2ccccn2"	0	""	""	2	2	9571905	""
"670781"	"670781"	"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea"	"CCCNC(=S)N\N=C\c1cccc(C)n1"	0	""	""	1	1	9571906	""
"670782"	"670782"	"1-Cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)NC2CCCCC2)n1"	0	""	""	2	2	9571907	""
"670783"	"670783"	""	"C\C(=N/NC(=S)NC1CCCC1)\c2ccccn2"	0	NA	NA	2	2	NA	""
"670784"	"670784"	""	"CCC(C)NC(=S)N\N=C(/C)\c1ccccn1"	0	NA	NA	2	2	NA	""
"670785"	"670785"	""	"CCCCCCNC(=S)N\N=C(/C)\c1ccccn1"	0	NA	NA	2	2	NA	""
"670786"	"670786"	"1-Tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CC(C)(C)NC(=S)N\N=C\c1ccccn1"	0	""	""	2	2	9571908	""
"670787"	"670787"	"1-Tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)NC(C)(C)C)n1"	0	""	""	1	1	9571909	""
"670788"	"670788"	""	"C\C(=N/NC(=S)NC(C)(C)C)\c1ccccn1"	0	NA	NA	2	2	NA	""
"670789"	"670789"	"9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10..."	"Br\C(=C/1\C(=O)c2ccccc2c3ccccc13)\I"	0	""	""	2	2	3005079	""
"670791"	"670791"	"3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene"	"CC(C)C(Br)CCC(Br)(CBr)C=C"	0	""	""	2	2	382916	""
"670792"	"670792"	"3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Br)(CBr)C=C"	0	""	""	1	1	382917	""
"670797"	"670797"	"(3Z)-3-(Bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene"	"CC(C)C(Cl)CC\C(=C\Cl)\C(=C)Cl.CC(C)C(Cl)CC\C(=C\Br)\C(=C)Cl"	0	""	""	1	1	54608172	""
"670798"	"670798"	"3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Br)(CCl)C(=C)Cl.CC(C)C(Cl)CCC(Br)(CCl)C(=C)Br"	0	""	""	1	1	6712340	""
"670799"	"670799"	"(E)-3-(Bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	"CC(C)CCC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	5468474	""
"670800"	"670800"	"2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyltetrahydrofuran"	"CC(C)(Br)C1CCC(CBr)(O1)C=C"	0	""	""	2	1	382923	""
"670802"	"670802"	"4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene"	"CC(C)C(Br)CCC1=CCC(Br)(Br)C1"	0	""	""	1	1	382925	""
"670803"	"670803"	"1-Octene, 3-(bromomethyl)-2,3,7-trichloro-7-methyl-"	"CC(C)(Cl)CCCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	382926	""
"670804"	"670804"	"3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene"	"CC(C)C(Cl)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	382927	""
"670805"	"670805"	"3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene"	"CC(C)(Cl)C(Cl)CCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	382928	""
"670806"	"670806"	"(E)-3-(Bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene"	"CC(C)(Cl)C(Cl)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	5468475	""
"670807"	"670807"	"2-Octene, 1-bromo-3-(bromomethyl)-2,6,7-trichloro-7-methyl-"	"CC(C)(Cl)C(Cl)CC\C(=C(/Cl)\CBr)\CBr"	0	""	""	2	2	5468476	""
"670810"	"670810"	"(E)-6-Bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene"	"CC(C)C(Br)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	5468477	""
"670811"	"670811"	"(E)-3-(Bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene"	"CC(C)C(Cl)CC\C(=C(/Cl)\CCl)\CBr"	0	""	""	2	2	5468478	""
"670813"	"670813"	"1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one"	"CC(C)C(Cl)CCC(C)(Cl)C(=O)CBr"	0	""	""	2	2	382936	""
"670816"	"670816"	"1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one"	"CC(C)(Cl)C(Cl)CCC(C)(Cl)C(=O)CBr"	0	""	""	2	2	382939	""
"670823"	"670823"	"1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-"	"Cc1nn(c(C)c1Cl)c2cc(Cl)ccc2[N+](=O)[O-]"	0	""	""	1	1	382940	""
"670825"	"670825"	""	"[K+].OC(=O)C=Cc1ccc(OS(=O)(=O)O)cc1"	0	NA	NA	1	1	NA	""
"670851"	"670851"	"Manzamine A"	"O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c4nccc5c6ccccc6[nH]c45)[C@]7(CC8\C=C/CCCCN8[C@@H]27)C3"	0	""	""	2	1	5468479	""
"670852"	"670852"	"8-Hydroxymanzamine A"	"Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC\C=C/CCCCN6CC[C@@H]4[C@]7(CC8\C=C/CCCCN8[C@@H]57)C6)c3[nH]c12"	0	""	""	2	1	5468481	""
"670861"	"670861"	"5,10,15,20-Tetrakis(5-chloropentyl)porphyrin"	"ClCCCCCc1c2C=Cc([nH]2)c(CCCCCCl)c3ccc(n3)c(CCCCCCl)c4ccc([nH]4)c(CCCCCCl)c5ccc1n5"	0	""	""	1	1	382956	""
"670862"	"670862"	""	"C[N+](C)(C)CCCCCc1c2C=Cc([nH]2)c(CCCCC[N+](C)(C)C)c3ccc(n3)c(CCCCC[N+](C)(C)C)c4ccc([nH]4)c(CCCCC[N+](C)(C)C)c5ccc1n5"	0	NA	NA	1	1	NA	""
"670864"	"670864"	"DA-34354"	"CCOC(=O)c1sc(N)nc1N2CCCC2"	0	""	""	1	1	382960	""
"670865"	"670865"	"SC-62055"	"N#Cc1c(NCc2ccccc2)snc1N3CCCC3"	0	""	""	1	1	382961	""
"670869"	"670869"	"2-[(1S)-1-Benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione"	"OCc1cccn1C(=O)[C@H](Cc2ccccc2)N3C(=O)c4ccccc4C3=O"	0	""	""	1	1	473077	""
"670871"	"670871"	""	"CCC(C)OC(=O)\C(=C/1\OC(=O)c2ccccc2c3ccccc13)\Br"	0	NA	NA	1	1	NA	""
"670929"	"670929"	"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-Decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,"	"CC1OC2OC3C(O)C(O)COC3OC(=O)[C@]45CCC(C)(C)CC4C6=CCC7[C@@]8(C)C[C@H](O)[C@H](OC9OC(CO)C(O)C(O)C9OC%10OC(COC(=O)CC(C)(O)CC(=O)OC1C(OC%11OC(CO)C(O)C(O)C%11O)C2O)C(O)C(O)C%10O)[C@@](C)(CO)C8CC[C@@]7(C)[C@]6(C)CC5"	0	""	""	1	1	382983	""
"670960"	"670960"	"1-(4-Nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea"	"[O-][N+](=O)c1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccccc23)cc1"	0	""	""	1	1	3705169	""
"670961"	"670961"	"1-[(Z)-(2-Oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea"	"O=C1Nc2ccccc2/C/1=N/NC(=S)NCc3ccccn3"	0	""	""	2	2	3005083	""
"670962"	"670962"	"1-(2-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"COc1ccccc1NC(=S)N\N=C\c2cccc(C)n2"	0	""	""	2	2	9571481	""
"670963"	"670963"	"1-(4-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"COc1ccc(NC(=S)N\N=C\c2cccc(C)n2)cc1"	0	""	""	2	2	9571482	""
"670964"	"670964"	"1-(4-Chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea"	"Cc1cccc(\C=N\NC(=S)Nc2ccc(Cl)cc2)n1"	0	""	""	1	1	9571483	""
"670965"	"670965"	"1-(4-Chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea"	"Clc1ccc(NC(=S)N\N=C\c2ccccn2)cc1"	0	""	""	2	2	9571484	""
"670968"	"670968"	"1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C\c2cccc(C)n2"	0	""	""	2	2	9571920	""
"670969"	"670969"	"AB01327238-02"	"S=C(NCc1ccccc1)N\N=C\c2ccccn2"	0	""	""	2	2	6892730	""
"670970"	"670970"	"[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-Acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5"	"C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC=C2[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]4C[C@@H](OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	1	1	383002	""
"670973"	"670973"	""	"ClCCOCCO[C@@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OCCOCCCl"	0	NA	NA	1	1	NA	""
"670977"	"670977"	"Concanamycin B"	"COC1\C=C\C=C(/C)\CC(C)C(O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/OC)\C(=O)OC1[C@@H](C)C(O)C(C)C2(O)C[C@@H](OC3CC(O)C(OC(=O)N)C(C)O3)C(C)C(O2)\C=C\C"	0	""	""	2	2	5468506	"81552332"
"670994"	"670994"	"7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione"	"CN1C(=O)N(C)c2ncn(CCCCOc3ccc4c(c3)[n+]([O-])nc(N)[n+]4[O-])c2C1=O"	0	""	""	1	1	135409232	""
"670995"	"670995"	"(Z)-3-[[(4Z)-4-(5,5-Dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile"	"CNC1=C\C(=N\C2=C\C(=N\C(=C/C#N)\C(C)(C)O)\OC2(C)C)\OC1(C)C"	0	""	""	2	2	9571921	""
"670998"	"670998"	"Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate"	"CCOC(=O)CCc1cn2cc(Br)nc(OC)c2n1"	0	""	""	1	1	383014	""
"671002"	"671002"	"[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate"	"FCS(=O)(=O)OCCC(=O)N1CCN(CC1)C(=O)CCOS(=O)(=O)CF"	0	""	""	3	3	383018	""
"671009"	"671009"	"2H-Thieno[3',4':4,5]cyclopent[1,2-d]oxazole- 2,7(7aH)-di..."	"Brc1sc(Br)c2C(=O)[C@@H]3OC(=O)N[C@@H]3c12"	0	NA	NA	2	2	NA	""
"671012"	"671012"	"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide"	"O=C(CCN1CCCCC1)Nc2ccc3Sc4ccccc4C(=O)c3n2"	0	""	""	1	1	383031	""
"671014"	"671014"	"3-(Diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide"	"CCN(CC)CCC(=O)Nc1ccc2Sc3ccccc3C(=O)c2n1"	0	""	""	1	1	383033	""
"671015"	"671015"	"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide"	"O=C(CN1CCCC1)Nc2ccc3Sc4ccccc4C(=O)c3n2"	0	""	""	1	1	383034	""
"671017"	"671017"	""	"[R]\N=C/1\N=C([R])C2=C1SC(Cc3ccccc3)(OCCCC)S2"	0	NA	NA	1	1	NA	""
"671030"	"671030"	"N8-Actinomycin D"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)cnc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	2	2	383040	""
"671031"	"671031"	"2-Amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)cc(F)c(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	""	""	2	2	383041	""
"671032"	"671032"	"2-Amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxami"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6cnc[nH]6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8cnc[nH]8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	""	""	1	1	16129905	""
"671033"	"671033"	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)O)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)O)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	2	NA	""
"671041"	"671041"	"2-n-propoxyestradiol"	"CCCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	3	383043	""
"671042"	"671042"	"2-i-propoxyestradiol"	"CC(C)Oc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	3	2	383044	""
"671043"	"671043"	"2-ethoxyestra-1,3,5-trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	4	4	383045	""
"671094"	"671094"	""	"O=C1C=CC2(CCNC3=C2C(=O)c4nc[nH]c4C3=O)C=C1"	0	NA	NA	2	1	NA	""
"671095"	"671095"	"2',6'-Dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4ncccc4C3=O)C=C(Br)C1=O"	0	""	""	2	2	383051	""
"671096"	"671096"	"2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione"	"BrC1=CC2(CCNC3=C2C(=O)c4[nH]cnc4C3=O)C=C(Br)C1=O"	0	""	""	1	1	383052	""
"671098"	"671098"	"((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCC#N)c3ccccc3)c4ccccc4"	0	""	""	1	1	383054	""
"671103"	"671103"	"Ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate"	"CCOC(=O)CSC1=C(C(=O)OCC)C(=O)N(C(=S)N1c2ccccc2)c3ccccc3"	0	""	""	1	1	383059	""
"671107"	"671107"	"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate"	"COc1ccc(cc1)C(=O)SC2=C(C(=O)N(C(=S)N2c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383063	""
"671118"	"671118"	"N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide"	"C(CN1CCCC1)N(\C(=N\c2ccccc2)\N3CCCC3)c4ccccc4"	0	""	""	1	1	383074	""
"671119"	"671119"	"N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide"	"CN(C)CCN(\C(=N\c1ccccc1)\N2CCCC2)c3ccccc3"	0	""	""	1	1	383075	""
"671121"	"671121"	"N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide"	"C(CN1CCCCC1)N(\C(=N\c2ccccc2)\N3CCCCC3)c4ccccc4"	0	""	""	1	1	383077	""
"671122"	"671122"	"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide"	"CCN(CC)CCN(\C(=N\c1ccccc1)\N2CCCCC2)c3ccccc3"	0	""	""	1	1	383078	""
"671127"	"671127"	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate"	"Clc1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	383083	""
"671128"	"671128"	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate"	"Clc1ccc(C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5)c(Cl)c1"	0	""	""	1	1	383084	""
"671129"	"671129"	"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate"	"COc1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	383085	""
"671130"	"671130"	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	383086	""
"671133"	"671133"	"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate"	"FC(F)(F)c1ccc(cc1)C(=O)Oc2c(C#N)sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5"	0	""	""	1	1	383089	""
"671134"	"671134"	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	2	2	383090	""
"671135"	"671135"	"AO-476/40672135"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3)c4ccccc4)c5ccccc5"	0	""	""	2	2	383091	""
"671136"	"671136"	"Benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro..."	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3Cl)c4ccccc4)c5ccccc5"	0	""	""	3	3	383092	""
"671137"	"671137"	"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)Oc2c(sc3N(C(=S)N(C(=O)c23)c4ccccc4)c5ccccc5)C(=O)C"	0	""	""	1	1	383093	""
"671138"	"671138"	"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3occc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383094	""
"671139"	"671139"	"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) thiophene-2-carboxylate"	"CC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cccs3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383095	""
"671141"	"671141"	"Ethyl 5-(2,4-dichlorobenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(Cl)cc3Cl)c4ccccc4)c5ccccc5"	0	""	""	2	2	383097	""
"671142"	"671142"	"Ethyl 5-(4-methoxybenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3ccc(OC)cc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383098	""
"671143"	"671143"	"Ethyl 4-oxo-1,3-diphenyl-2-sulfanylidene-5-(3,4,5-trimethoxybenzoyl)oxythieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383099	""
"671144"	"671144"	"Ethyl 5-(furan-2-carbonyloxy)-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3occc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383100	""
"671145"	"671145"	"Ethyl 4-oxo-1,3-diphenyl-5-(thiophene-2-carbonyloxy)-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2N(C(=S)N(C(=O)c2c1OC(=O)c3cccs3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383101	""
"671152"	"671152"	"N'-(3-Aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine"	"NCCCN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN"	0	""	""	1	1	383108	""
"671161"	"671161"	"Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(NC(=O)C)C(=O)O"	0	NA	NA	1	1	NA	""
"671163"	"671163"	"Dodecylphosphono-L-serine (di-NH4 salt)"	"CCCCCCCCCCCCP(=O)(O)OCC(N)C(=O)O"	0	NA	NA	1	1	NA	""
"671165"	"671165"	"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	2	2	383124	""
"671166"	"671166"	"[2,6-Dimethoxy-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl] acetate"	"COc1cc(cc(OC)c1OC(=O)C)C2C(C)C(Oc3cc4OCOc4cc23)N5CCOCC5"	0	""	""	3	3	383125	""
"671167"	"671167"	"2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCCC5"	0	""	""	2	1	383126	""
"671168"	"671168"	"2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Oc3cc4OCOc4cc23)N5CCCC5"	0	""	""	3	3	383127	""
"671169"	"671169"	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol"	"COc1cc(cc(OC)c1O)C2C(C)C(O)Oc3cc4OCOc4cc23"	0	""	""	3	3	383128	""
"671170"	"671170"	"4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"CCN(CC)C1Oc2cc3OCOc3cc2C(C1C)c4cc(OC)c(O)c(OC)c4"	0	""	""	3	3	383129	""
"671171"	"671171"	"2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol"	"COc1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(O)c(OC)c5)cc1"	0	""	""	1	1	383130	""
"671172"	"671172"	"Neuro_000410"	"COc1cc(cc(OC)c1O)C2C(C)C(NNC(=O)N)Oc3cc4OCOc4cc23"	0	""	""	3	2	383131	""
"671173"	"671173"	"2,6-Dimethoxy-4-[7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NNc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	383132	""
"671174"	"671174"	"4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NN)Oc3cc4OCOc4cc23"	0	""	""	1	1	383133	""
"671175"	"671175"	"N'-[8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide"	"COc1cc(cc(OC)c1O)C2C(C)C(NNS(=O)(=O)c3ccc(C)cc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	383134	""
"671176"	"671176"	"4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(Nc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	1	1	383135	""
"671177"	"671177"	"4-[6-(2-Hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NCCO)Oc3cc4OCOc4cc23"	0	""	""	1	1	383136	""
"671178"	"671178"	"2,6-Dimethoxy-4-[7-methyl-6-(2-propan-2-ylidenehydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol"	"COc1cc(cc(OC)c1O)C2C(C)C(NN=C(C)C)Oc3cc4OCOc4cc23"	0	""	""	1	1	383137	""
"671180"	"671180"	"[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate"	"NC(=O)OCc1c(COC(=O)N)n(nc1c2ccccc2)c3ccccc3"	0	""	""	1	1	383139	""
"671181"	"671181"	"4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole"	"ClCc1c(CCl)n(nc1c2ccccc2)c3ccccc3"	0	""	""	1	1	383140	""
"671184"	"671184"	"VFBDUQDKOJTRNI-PKNBQFBNSA-N"	"Oc1ccc(\C=C\C(=O)OCCc2cccc3ccccc23)cc1O"	0	""	""	1	1	5468519	""
"671187"	"671187"	"Methyl 5,6-dihydroxynaphthalene-2-carboxylate"	"COC(=O)c1ccc2c(O)c(O)ccc2c1"	0	""	""	2	2	383146	""
"671188"	"671188"	"N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide"	"Oc1ccc(CCNC(=O)Cc2ccccc2)cc1O"	0	""	""	1	1	383147	""
"671189"	"671189"	"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide"	"Oc1ccc(CCNC(=O)CCc2ccccc2)cc1O"	0	""	""	2	2	383148	""
"671190"	"671190"	"3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide"	"Oc1ccc(CCC(=O)NCCc2ccccc2)cc1O"	0	""	""	2	2	383149	""
"671193"	"671193"	""	"COc1cc(\C=C\C(=O)OCCc2ccccc2)ccc1O"	0	NA	NA	1	1	NA	""
"671197"	"671197"	"Elsinochrome C"	"COC1=C2C(C(C)O)C(C(C)O)C3=C(OC)C(=O)c4c(O)cc(OC)c5c4c3c2c6c(C1=O)c(O)cc(OC)c56"	0	""	""	2	1	495866	""
"671267"	"671267"	"Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate"	"CCOC(=O)CC(=O)Nc1cccc2Sc3ncccc3C(=O)c12"	0	""	""	1	1	383156	""
"671268"	"671268"	"Ethyl 15-oxo-8-thia-6,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-16-carboxylate"	"CCOC(=O)c1c(O)nc2cccc3Sc4ncccc4c1c23"	0	""	""	1	1	5465992	""
"671275"	"671275"	"Methyl(4-methylphenyl)[(4-nitrophenyl)sulfonyl]amine"	"CN(c1ccc(C)cc1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	383162	""
"671309"	"671309"	"N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide"	"Clc1ccc(cc1)N=Nc2c(nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	383188	""
"671310"	"671310"	"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid"	"OC(=O)c1ccccc1N=Nc2c(nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2c4ccccc4)c5ccccc5"	0	""	""	1	1	383189	""
"671311"	"671311"	""	"NC1=Nc2ccccc2Sc3nc4ccccc4n13"	0	NA	NA	1	1	NA	""
"671312"	"671312"	""	"COc1ccc2Sc3nc4ccccc4n3C(=Nc2c1)N"	0	NA	NA	1	1	NA	""
"671313"	"671313"	"2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"NC1=Nc2cc(ccc2Sc3nc4ccccc4n13)C(F)(F)F"	0	""	""	2	2	383194	""
"671314"	"671314"	"2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"NC1=Nc2cc(Cl)ccc2Sc3nc4ccccc4n13"	0	""	""	2	2	383195	""
"671315"	"671315"	"8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine"	"COc1ccc2c(c1)nc3Sc4ccccc4N=C(N)n23"	0	""	""	2	2	383196	""
"671316"	"671316"	""	"Cc1ccc2c(c1)nc3Sc4ccccc4N=C(N)n23"	0	NA	NA	2	2	NA	""
"671331"	"671331"	"Batyl-P-araC"	"CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	""	""	1	1	383215	""
"671332"	"671332"	"N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide"	"Cc1ccc(NNC(=O)N=Nc2ccc(C)cc2Br)c(Br)c1"	0	""	""	1	1	383217	""
"671341"	"671341"	"1,5-di(2,4-dichlorophenyl)carbazone"	"Clc1ccc(NNC(=O)N=Nc2ccc(Cl)cc2Cl)c(Cl)c1"	0	""	""	1	1	383226	""
"671347"	"671347"	"N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide"	"Cc1ccc(Cl)cc1NNC(=O)N=Nc2cc(Cl)ccc2C"	0	""	""	1	1	383232	""
"671348"	"671348"	"N',2-Bis(4-bromophenyl)diazenecarbohydrazide"	"Brc1ccc(NNC(=O)N=Nc2ccc(Br)cc2)cc1"	0	""	""	1	1	383233	""
"671349"	"671349"	"9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid"	"OC(=O)c1ccc(c2cc3cnccc3nc12)[N+](=O)[O-]"	0	""	""	1	1	383234	""
"671352"	"671352"	"3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione"	"CN(C)c1ccc(cc1)N2C(=S)S\C(=N/c3ccccc3)\C\2=N\c4ccccc4"	0	""	""	1	1	383237	""
"671353"	"671353"	"Ethyl 4-[[5-(4-ethoxycarbonylphenyl)imino-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-ylidene]amino]benzoate"	"CCOC(=O)c1ccc(cc1)\N=C/2\C(\N(C(S2)=S)c3ccc(F)cc3)=N\c4ccc(cc4)C(=O)OCC"	0	""	""	3	2	383238	""
"671357"	"671357"	""	"COc1ccc(cc1)N2\C(=N\c3ccccc3)\S\C(=N\S(=O)(=O)c4ccccc4)\C\2=N/S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"671359"	"671359"	""	"O=C1N(\N=C/2\S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\N2c5ccccc5)C(=O)c6ccccc16"	0	NA	NA	2	1	NA	""
"671365"	"671365"	"N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline"	"C1CN2C(=N1)S\C(=N/c3ccccc3)\C\2=N\c4ccccc4"	0	""	""	1	1	383251	""
"671366"	"671366"	"Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate"	"CCOC(=O)C(=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\N1c4ccccc4)C(=O)OCC"	0	""	""	1	1	383252	""
"671367"	"671367"	"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile"	"N#CC(=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\N1c4ccccc4)C#N"	0	""	""	2	2	383253	""
"671368"	"671368"	"N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide"	"S=C(Nc1ccccc1)\C=C\2/S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\N2c5ccccc5"	0	""	""	1	1	5468533	""
"671372"	"671372"	"AN-689/41741230"	"O=C1CCCC/C/1=C\2/S\C(=N\c3ccccc3)\C(=N/c4ccccc4)\N2c5ccccc5"	0	""	""	1	1	1777592	""
"671374"	"671374"	"AN-689/40796296"	"CN1\C(=N/c2ccc(Cl)cc2)\Sc3ccccc13"	0	""	""	1	1	383260	""
"671375"	"671375"	"3-Methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine"	"CN1\C(=N/c2ccccc2[N+](=O)[O-])\Sc3ccccc13"	0	""	""	1	1	383261	""
"671376"	"671376"	"4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one"	"O=C1N\C(=N\c2ccccc2)\C(=N/c3ccccc3)\N1c4ccccc4"	0	""	""	1	1	135409233	""
"671377"	"671377"	"(4z,5e)-1-Benzoyl-3-phenyl-4,5-bis(phenylimino)imidazolidin-2-one"	"O=C(N1C(=O)N(\C(=N\c2ccccc2)\C\1=N/c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	383263	""
"671378"	"671378"	"Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-"	"O=C(N=C1N(C(=O)C(=O)N1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	383264	""
"671379"	"671379"	"AN-689/41741322"	"COc1ccc(cc1)C(=O)N=C2N(\C(=N\c3ccccc3)\C(=N/c4ccccc4)\N2c5ccccc5)c6ccccc6"	0	""	""	2	1	383265	""
"671382"	"671382"	"Kinome_3132"	"O=C1NC(=S)N(C1=O)c2ccccc2"	0	""	""	1	1	1550384	""
"671388"	"671388"	"4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-"	"FC(F)(F)c1cccc(c1)N2C(=S)N(C(=O)C2=O)c3ccccc3"	0	""	""	1	1	383274	""
"671392"	"671392"	"AN-689/41741279"	"O=C(N1C(=S)N(\C(=N\c2ccccc2)\C\1=N/c3ccccc3)c4ccccn4)c5ccccc5"	0	""	""	2	2	383278	""
"671394"	"671394"	"1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anis..."	"COc1ccc(cc1)\N=C\2/C(/N(C(N2c3ccc(OC)cc3)=S)c4ccc(cc4)N(C)C)=N\c5ccc(OC)cc5"	0	""	""	2	2	383280	"128944810"
"671396"	"671396"	"AN-689/41741301"	"COc1ccc(cc1)\N=C\2/C(/N(C(N2c3ccc(OC)cc3)=S)S(=O)(=O)c4ccccc4)=N\c5ccc(OC)cc5"	0	""	""	1	1	383282	""
"671399"	"671399"	"4-Imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimi..."	"N=C1N(C(=S)\C(=N\c2ccccc2)\N1c3ccccc3)c4ccccc4"	0	""	""	3	2	383285	""
"671400"	"671400"	"(2E,5Z)-2-(1-Benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione"	"S=C1N(\C(=N\c2cccc[n+]2Cc3ccccc3)\N(/C/1=N\c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	6518831	""
"671401"	"671401"	""	"S=C1N(\C(=N\c2ccccn2)\N(/C/1=N\c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"671402"	"671402"	"1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione"	"S=C1N(\C(=N\C2CCCCC2)\N(C3CCCCC3)/C/1=N\c4ccccc4)c5ccccc5"	0	""	""	1	1	383289	""
"671403"	"671403"	""	"COc1ccc(cc1)\N=C/2\N(\C(=N/S(=O)(=O)c3ccccc3)\N(C2=S)c4ccc(OC)cc4)c5ccccc5"	0	NA	NA	2	2	NA	""
"671404"	"671404"	"AN-689/41741114"	"CCOC(=O)c1ccc(cc1)\N=C\2/N(\N=C\c3ccccc3)C(=N)N(C2=S)c4ccc(cc4)C(=O)OCC"	0	""	""	1	1	9574762	""
"671405"	"671405"	"(5Z)-2-Imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione"	"N=C1N(\N=C\c2ccccn2)\C(=N/c3ccccc3)\C(=S)N1c4ccccc4"	0	""	""	1	1	9574763	""
"671408"	"671408"	"3-[(E)-[(4Z,5Z)-3-Phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one"	"O=C1Oc2ccccc2C=C1\C=N\N3C(=S)N(\C(=N/c4ccccc4)\C\3=N\c5ccccc5)c6ccccc6"	0	""	""	1	1	9556177	""
"671409"	"671409"	"(4Z,5Z)-1-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione"	"Oc1ccccc1\C=N\N2C(=S)N(\C(=N/c3ccccc3)\C\2=N\c4ccccc4)c5ccccc5"	0	""	""	2	2	135509182	""
"671411"	"671411"	""	"Oc1ccccc1\C=N\N2C(=S)N(\C(=N/c3ccccc3)\C\2=N\c4ccccc4)C56CC7CC(CC(C7)C5)C6"	0	NA	NA	1	1	NA	""
"671412"	"671412"	"4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methylideneamino]-3-phenylimidazolidine-2-thione"	"COc1ccc(cc1)\N=C/2\C(\N(C(N2N=C=C3Sc4ccccc4N3C)=S)c5ccccc5)=N\c6ccc(OC)cc6"	0	""	""	1	1	383299	""
"671413"	"671413"	"AN-689/41741243"	"N(N=C1S\C(=N/c2ccccc2)\C(=N\c3ccccc3)\S1)c4ccccc4"	0	""	""	1	1	383300	""
"671414"	"671414"	"N-[[4,5-Bis[(4-methylphenyl)imino]-1,3-dithiolan-2-ylidene]amino]-N-methylmethanamine"	"CN(C)N=C1S\C(=N/c2ccc(C)cc2)\C(=N\c3ccc(C)cc3)\S1"	0	""	""	1	1	383301	""
"671415"	"671415"	"4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone"	"CN(C)c1ccc(NN=C2S\C(=N/c3ccccc3)\C(=N\c4ccccc4)\S2)cc1"	0	""	""	1	1	383302	""
"671416"	"671416"	""	"COc1ccc(cc1)\N=C\2/C(/SC(S2)=N\N=C\3/Sc4ccccc4N3C)=N\c5ccc(OC)cc5"	0	NA	NA	1	1	NA	""
"671421"	"671421"	"AN-689/41741358"	"S1\C(=N\c2ccccc2)\C(=N/c3ccccc3)\Sc4ccccc14"	0	""	""	1	1	383308	""
"671423"	"671423"	"Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate"	"CCOC(=O)c1ccc(cc1)\N=C\2/C(/Sc3c(N2)cccc3)=N\c4ccc(cc4)C(=O)OCC"	0	""	""	1	1	383310	""
"671425"	"671425"	"GNF-Pf-2168"	"[O-][N+](=O)c1ccc2N\C(=N\c3ccccc3)\C(=N/c4ccccc4)\Nc2c1"	0	""	""	1	1	3793309	""
"671427"	"671427"	"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-"	"CN1C(=O)N(C)c2nc(Nc3ccc(C)cc3)c(Nc4ccc(C)cc4)nc2C1=O"	0	""	""	1	1	383314	""
"671430"	"671430"	""	"NC(=N)SCc1ccc(cc1)N=C=S"	0	NA	NA	1	1	NA	""
"671431"	"671431"	""	"NNC(=N)SCc1ccc(cc1)N=C=S"	0	NA	NA	1	1	NA	""
"671435"	"671435"	"Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate"	"Brc1cc(Br)c(OC(=O)C(=O)Oc2c(Br)cc(Br)cc2C(=O)Oc3ccccc3)c(c1)C(=O)Oc4ccccc4"	0	""	""	1	1	383326	""
"671438"	"671438"	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline"	"CN1C=C(C(=O)c2ccc(F)cc12)S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	383328	""
"671439"	"671439"	"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene"	"Clc1ccc(NC(=O)NS(=O)(=O)C2=C(Oc3ccccc3C2=O)c4ccccc4)cc1"	0	""	""	1	1	383329	""
"671445"	"671445"	"2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]pyridin-2-yl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid"	"OC(=O)CN(CC(=O)O)Cc1ccn(n1)c2cccc(n2)n3ccc(CN(CC(=O)O)CC(=O)O)n3"	0	""	""	1	1	383330	""
"671448"	"671448"	"2-{[.alpha.-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenylo..."	"C(Oc1ccccc1C(N2CCOCC2)n3nc4ccccc4n3)\C=C\c5ccccc5"	0	""	""	2	2	5931762	""
"671450"	"671450"	""	"Cc1ccc(cc1)c2nc3SCCn3c2\C=N/NC(=N)N"	0	NA	NA	1	1	NA	""
"671456"	"671456"	"3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide"	"CC(=O)Oc1ccc(c(C)c1)C2(OC(=O)c3ccccc23)c4ccc(F)cc4"	0	""	""	4	4	383342	"148238464"
"671457"	"671457"	"Benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate"	"O=C(NC(CCCCN1C(=O)c2ccccc2C1=O)P(=O)(Oc3ccccc3)Oc4ccccc4)OCc5ccccc5"	0	""	""	1	1	383343	""
"671462"	"671462"	"2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane"	"Clc1ccc(cc1Cl)C2(OCCO2)C=C"	0	""	""	1	1	383348	""
"671463"	"671463"	"4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane"	"CCC1COC(O1)(C=C)c2ccc3ccccc3c2"	0	""	""	1	1	383349	""
"671466"	"671466"	"Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate"	"CCO\C=C(/C(=O)OC)\S(=O)(=O)c1ccc(C)cc1"	0	""	""	1	1	3005099	""
"671467"	"671467"	"6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one"	"CCN1C(=S)N(c2ccccc2)c3sc(SC)nc3C1=O"	0	""	""	1	1	383353	""
"671469"	"671469"	"Ethyl 2-(2-methylsulfanyl-7-oxo-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	"CCOC(=O)CN1C(=S)N(c2ccccc2)c3sc(SC)nc3C1=O"	0	""	""	1	1	383355	""
"671472"	"671472"	"Ethyl 2-(4-ethyl-2-methylsulfanyl-7-oxo-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate"	"CCOC(=O)CN1C(=S)N(CC)c2sc(SC)nc2C1=O"	0	""	""	1	1	383358	""
"671473"	"671473"	"SC-87612"	"CCN1C(=O)N(c2ccc(C)cc2)c3sc(SC)nc3C1=O"	0	""	""	2	1	383359	""
"671526"	"671526"	"toxin .delta.53l"	""	0	NA	NA	2	2	NA	""
"671534"	"671534"	"3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1Cc2cccc3ccccc23"	0	""	""	1	1	383370	""
"671544"	"671544"	""	"FC(F)(F)\C=N/NC(=O)c1ccncc1"	0	NA	NA	1	1	NA	""
"671545"	"671545"	""	"FC(F)(F)\C(=N/NC(=O)c1ccncc1)\c2ccccc2"	0	NA	NA	1	1	NA	""
"671554"	"671554"	"N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(Cc4cc(OC)c(OC)c(OC)c4)Cc5cc(OC)c(OC)c(OC)c5)c2c1"	0	""	""	1	1	383383	""
"671556"	"671556"	"N-Acridin-9-yl-2,3-dimethoxybenzamide"	"COc1cccc(C(=O)Nc2c3ccccc3nc4ccccc24)c1OC"	0	""	""	1	1	383385	""
"671557"	"671557"	"LHMZYYJPJUUPSG-UHFFFAOYSA-N"	"COc1cc(CNc2c3ccccc3nc4ccccc24)cc(OC)c1OC"	0	""	""	2	1	383386	""
"671559"	"671559"	"1,2,3-Trimethoxy-5-{[(4-methoxyphenyl)sulfinyl]methyl}benzene"	"COc1ccc(cc1)S(=O)Cc2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	383388	""
"671560"	"671560"	"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside"	"COC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c4cc(O)c(O)c(O)c4)C1OC(=O)c5cc(O)c(O)c(O)c5"	0	""	""	1	1	383389	""
"671632"	"671632"	"2-Benzylidene-6-methoxy-1-indanone"	"COc1ccc2C\C(=C/c3ccccc3)\C(=O)c2c1"	0	""	""	1	1	5468555	""
"671633"	"671633"	"2-Benzylidene-5,6-dimethoxy-1-indanone"	"COc1cc2C\C(=C/c3ccccc3)\C(=O)c2cc1OC"	0	""	""	2	1	5468556	""
"671637"	"671637"	"(3R,5R)-3,5-Diphenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione"	"O=C1C[C@H](c2ccccc2)C3([C@H](C1)c4ccccc4)C(=O)c5ccccc5C3=O"	0	""	""	1	1	383407	""
"671641"	"671641"	"2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone"	"CN1C(=Cc2ccccc2C1=O)CCC3(C)Cc4ccccc4C(=O)O3"	0	""	""	1	1	383411	""
"671660"	"671660"	"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 3-(acetyloxy)-6-(1-aziridinyl)-2,3-dihydro-"	"CC(=O)OC1CCn2c1nc3C(=O)C(=CC(=O)c23)N4CC4"	0	""	""	2	2	383412	""
"671677"	"671677"	"Sphinxolide B"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(O)\C=C\C1C)OC)[C@H]2O)OC"	0	""	""	2	1	5468560	""
"671678"	"671678"	"Sphinxolide C"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(CC(O)\C=C\C1C)OC)OC)[C@H]2O"	0	""	""	2	1	5468561	""
"671680"	"671680"	"Sphinxolide"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]2O"	0	""	""	2	2	5468563	""
"671765"	"671765"	"3-[2-pyrrolidino] ethoxy-17-butyl-17-aza-1,3,5(10)-estra..."	"CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OCCN5CCCC5)ccc4[C@H]3CC[C@]2(C)C1=O"	0	""	""	2	2	383426	""
"671803"	"671803"	"AK-777/36503054"	"Clc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2)c3ccccc3"	0	""	""	1	1	902392	""
"671804"	"671804"	"TimTec1_001777"	"COc1ccc(cc1)C2=C(C#N)C(=S)NC(=C2)c3ccccc3"	0	""	""	1	1	716393	""
"671806"	"671806"	"[3,4,5-Triacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C=C2c3ccc(Cl)cc3)c4ccccc4)C#N"	0	""	""	1	1	383439	""
"671809"	"671809"	"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4occc4"	0	""	""	1	1	383442	""
"671813"	"671813"	"[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C(C=C2c3ccc(Cl)cc3)c4ccccc4)C#N"	0	""	""	2	2	383446	""
"671816"	"671816"	"4,6-Diphenyl-2-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3-carbonitrile"	"OC1COC(C(O)C1O)N2C(=S)C(=C(C=C2c3ccccc3)c4ccccc4)C#N"	0	""	""	1	1	383448	""
"671817"	"671817"	""	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	NA	NA	1	1	NA	""
"671818"	"671818"	""	"Cc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	NA	NA	1	1	NA	""
"671819"	"671819"	"4-(Furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"COc1ccc(cc1)C2=CC(=C(C#N)C(=S)N2C3OC(CO)C(O)C(O)C3O)c4occc4"	0	""	""	1	1	383450	""
"671820"	"671820"	"6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2)c4ccc(Cl)cc4"	0	""	""	1	1	383451	""
"671838"	"671838"	"4-Chloro-N-[1-(4-pyridyl)ethyl]aniline"	"CC(Nc1ccc(Cl)cc1)c2ccncc2"	0	""	""	1	1	383452	""
"671840"	"671840"	"3,4-Dichloro-N-[1-(4-pyridyl)ethyl]aniline"	"CC(Nc1ccc(Cl)c(Cl)c1)c2ccncc2"	0	""	""	1	1	383454	""
"671842"	"671842"	"4-Methoxy-N-[1-(4-pyridyl)ethyl]aniline"	"COc1ccc(NC(C)c2ccncc2)cc1"	0	""	""	1	1	383456	""
"671843"	"671843"	"4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline"	"C\C(=N/c1ccc(Cl)cc1)\c2ccncc2"	0	""	""	1	1	383457	""
"671844"	"671844"	"3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline"	"C\C(=N/c1cc(Cl)cc(Cl)c1)\c2ccncc2"	0	""	""	1	1	383458	""
"671845"	"671845"	"3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline"	"C\C(=N/c1ccc(Cl)c(Cl)c1)\c2ccncc2"	0	""	""	1	1	383459	""
"671848"	"671848"	"N-(4-Chlorophenyl)-4-[2-[(4-chlorophenyl)methyl]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide"	"Cc1nc(O)nc(NNCc2ccc(Cl)cc2)c1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	383462	""
"671853"	"671853"	"N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide"	"CC1=C(C(=O)NC2C3CCCCC3NC4CCCCC24)C(=NC(=O)N1)S"	0	""	""	1	1	3699385	""
"671855"	"671855"	""	"COC[C@@H](\N=C\c1ccc(cc1)[N+](=O)[O-])C(C)C"	0	NA	NA	1	1	NA	""
"671857"	"671857"	"(-)-10(S)-Isothiocyanoalloaromadendrane"	"C[C@@H]1CC[C@H]2[C@H]1[C@H]3[C@@H](CC[C@]2(C)N=C=S)C3(C)C"	0	""	""	1	1	383471	""
"671864"	"671864"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep"	"CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)OC(=O)C)c6occc6"	0	""	""	2	2	383472	""
"671865"	"671865"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep"	"CCCCCCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c6occc6"	0	""	""	2	2	383473	""
"671866"	"671866"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-[3-(dimethylamino)phenyl]-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.0"	"CN(C)c1cccc(c1)[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@@H]6[C@@]7(CO[C@@H]7C[C@H](O)[C@@]6(C)C(=O)[C@H](OC(=O)C)C(=C3C)C4(C)C)OC(=O)C"	0	""	""	2	2	383474	""
"671867"	"671867"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11."	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)C4CCCCC4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	383475	""
"671868"	"671868"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)C7CCCCC7)C(=C1C5(C)C)C"	0	""	""	2	2	383476	""
"671869"	"671869"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)C4CCCCC4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C6CCCCC6)C7CCCCC7)C(=C1C5(C)C)C"	0	""	""	2	2	383477	""
"671870"	"671870"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hepta"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7C)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	383478	""
"671871"	"671871"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6cccc(c6)N=[N+]=[N-])c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	5468574	""
"671872"	"671872"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)[N+](=O)[O-])[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	383481	""
"671876"	"671876"	""	"Nc1[n+](CC(=O)c2ccccc2)nc3sc(nn13)c4ccccc4"	0	NA	NA	1	1	NA	""
"671881"	"671881"	"6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Cc1nnc2sc(Cl)nn12"	0	""	""	1	1	383496	""
"671883"	"671883"	"STK777045"	"Fc1c(F)c(F)c2C(=O)n3c(Sc2c1F)nc4ccccc34"	0	""	""	2	2	383498	""
"671884"	"671884"	"6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one"	"Fc1c(F)c(F)c2C(=O)n3ccnc3Sc2c1F"	0	""	""	1	1	383499	""
"671885"	"671885"	"6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one"	"Fc1c(F)c(F)c2C(=O)N3CCN=C3Sc2c1F"	0	""	""	2	1	383500	""
"671886"	"671886"	"tetrafluoro[?]one"	"Fc1c(F)c(F)c2C(=O)N3C(=Nc4cccc5cccc3c45)Sc2c1F"	0	""	""	2	2	383501	""
"671887"	"671887"	"1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine"	"Fc1c(F)c(F)c2c(CSc3nc4ccccc4n23)c1F"	0	""	""	1	1	383502	""
"671888"	"671888"	"1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one"	"Oc1nc2ccccc2n1C(=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	2	1	383503	""
"671889"	"671889"	"2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole"	"Cc1nc2ccccc2n1C(=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	1	1	383504	""
"671891"	"671891"	"2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-"	"Fc1c(F)c(F)c(C(=O)N2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)C2=S)c(F)c1F"	0	""	""	2	2	383506	""
"671898"	"671898"	"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate"	"O=C(OC1\C=C/C#CCSCC#C1)c2ccc3C(=O)c4ccccc4C(=O)c3c2"	0	""	""	1	1	5468578	""
"671899"	"671899"	"9-Amino-20(S)-glycinyl camptothecin hydrochloride"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"671900"	"671900"	"10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydroch..."	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"671901"	"671901"	"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CCl)c5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"671902"	"671902"	"N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-eth..."	"CC(=O)NCCC1CN(C(=O)\C=C\I)c2ccccc12"	0	""	""	2	2	5468579	""
"671954"	"671954"	"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea"	"CC(=[N+]1[N-]C(=S[Al+3]12[O-]B([O-]2)c3ccccc3)N)c4ccccn4"	0	""	""	2	1	16684415	""
"671961"	"671961"	"Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate"	"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC"	0	""	""	1	1	383543	""
"671963"	"671963"	"ZX-AP013443"	"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C"	0	""	""	1	1	383545	""
"671965"	"671965"	"Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1"	0	""	""	1	1	383547	""
"671966"	"671966"	"Ethyl N-[2-[(1-diethoxyphosphoryl-2-methylpropyl)-methylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate"	"CCOC(=O)NC(N(C)C(C(C)C)P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383548	""
"671967"	"671967"	""	"CC(C)\C(=N/OC(NC(=O)P(=O)(c1ccccc1)c2ccccc2)(C(F)(F)F)C(F)(F)F)\Cl"	0	NA	NA	1	1	NA	""
"671968"	"671968"	"N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	"COC(NC(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383550	""
"671969"	"671969"	"N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea"	"COC(NC(=O)Nc1ccccc1C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383551	""
"671971"	"671971"	"(1Z)-N-[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2-methylpropanimidoyl chloride"	"CC(C)\C(=N\OC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F)\Cl"	0	""	""	2	2	9556182	""
"671973"	"671973"	"Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate"	"CCOC(=O)NC(Nc1ccc(cc1)C(=O)OCC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383555	""
"671978"	"671978"	"CBMicro_019032"	"CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383560	""
"672000"	"672000"	"Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383582	""
"672001"	"672001"	"Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate"	"COC(=O)NC(Nc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383583	""
"672002"	"672002"	"N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide"	"CCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383584	""
"672003"	"672003"	"Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate"	"CC(C)CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383585	""
"672006"	"672006"	"N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide"	"CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383588	""
"672014"	"672014"	"ChemDiv2_000249"	"CC1CN=C(NCc2ccccc2)S1"	0	""	""	1	1	383596	""
"672022"	"672022"	"N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine"	"Fc1ccc(NC2=NCC(=C)S2)c(F)c1"	0	""	""	1	1	383604	""
"672026"	"672026"	"STK367527"	"CNC(=O)N(C1=NCC(C)S1)c2ccc(C)c(C)c2"	0	""	""	2	2	383608	""
"672027"	"672027"	"STK372664"	"CC1CN=C(S1)N(C)C(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	383609	""
"672030"	"672030"	"MMRNHFGQOYNUCE-UHFFFAOYSA-N"	"CC1CN=C(S1)N(C)C(=O)Nc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	383612	""
"672031"	"672031"	"OGMJVGSHINJNEX-UHFFFAOYSA-N"	"CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c3ccccc3"	0	""	""	1	1	383613	""
"672032"	"672032"	"STK372666"	"CC1CN=C(S1)N(C(=O)Nc2ccc(Cl)c(Cl)c2)c3cccc(C)c3"	0	""	""	1	1	383614	""
"672036"	"672036"	"STK690979"	"CC1CN=C(S1)N(Cc2ccc(F)cc2)C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	383618	""
"672039"	"672039"	""	"C\C(=N/OC(=O)Nc1ccc(C)cc1)\Cl"	0	NA	NA	1	1	NA	""
"672040"	"672040"	""	"CC\C(=N/OC(=O)Nc1ccc(F)c(Cl)c1)\Cl"	0	NA	NA	2	2	NA	""
"672041"	"672041"	""	"CCC\C(=N/OC(=O)Nc1ccc(Br)cc1)\Cl"	0	NA	NA	2	1	NA	""
"672042"	"672042"	""	"CCOC(=O)c1ccc(NC(=O)O\N=C(\Cl)/C(C)C)cc1"	0	NA	NA	2	2	NA	""
"672043"	"672043"	"Ethanimidoyl chloride, N-[[[(4-nitrophenyl)amino]carbony..."	"C\C(=N/OC(=O)Nc1ccc(cc1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	NA	""
"672045"	"672045"	"Propanimidoyl chloride, N-[[[(4-fluorophenyl)amino]carbo..."	"CC(C)\C(=N/OC(=O)Nc1ccc(F)cc1)\Cl"	0	NA	NA	2	2	NA	""
"672046"	"672046"	""	"COc1ccccc1NC(=O)O\N=C(\Cl)/C(C)C"	0	NA	NA	2	2	NA	""
"672048"	"672048"	""	"CCOC(=O)c1ccc(NC(=O)O\N=C(\Cl)/CCl)cc1"	0	NA	NA	1	1	NA	""
"672049"	"672049"	""	"CCC\C(=N/OC(=O)Nc1cccc(c1)C(F)(F)F)\Cl"	0	NA	NA	2	2	NA	""
"672050"	"672050"	""	"CC(C)\C(=N/OC(=O)Nc1cccc(Cl)c1)\Cl"	0	NA	NA	2	2	NA	""
"672051"	"672051"	"Propanimidoyl chloride, N-[[[[(4-aminosulfonyl)phenyl]am..."	"CC(C)\C(=N/OC(=O)Nc1ccc(cc1)S(=O)(=O)N)\Cl"	0	NA	NA	2	2	NA	""
"672052"	"672052"	""	"CC(C)\C(=N/OC(=O)Nc1cccc(F)c1)\Cl"	0	NA	NA	2	2	NA	""
"672053"	"672053"	""	"CC(C)\C(=N/OC(=O)Nc1ccccc1F)\Cl"	0	NA	NA	2	2	NA	""
"672054"	"672054"	""	"C\C(=N/OC(=O)Nc1ccccc1C(F)(F)F)\Cl"	0	NA	NA	1	1	NA	""
"672055"	"672055"	""	"CC(C)\C(=N/OC(=O)Nc1ccc(F)cc1F)\Cl"	0	NA	NA	2	2	NA	""
"672056"	"672056"	"[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate"	"CC(C)\C(=N\OC(=O)Nc1ccc(OC(F)(F)F)cc1)\Cl"	0	""	""	2	2	9556199	""
"672057"	"672057"	""	"CC\C(=N/OC(=O)Nc1ccc(cc1)C#N)\Cl"	0	NA	NA	2	2	NA	""
"672058"	"672058"	""	"CC(C)\C(=N/OC(=O)Nc1ccc(cc1)C#N)\Cl"	0	NA	NA	2	1	NA	""
"672059"	"672059"	"N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride"	"CCC\C(=N\OC(=O)Nc1cc(ccc1OC)C(F)(F)F)\Cl"	0	""	""	2	1	9556202	""
"672070"	"672070"	"1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1"	0	""	""	1	1	383652	""
"672072"	"672072"	"STL322405"	"CCOC(=O)C(NC(=O)Nc1ccc(C)cc1)(OCC)C(F)(F)F"	0	""	""	1	1	383654	""
"672073"	"672073"	"STL323035"	"CCOC(=O)C(NC(=O)Nc1ccc(Cl)cc1)(OC)C(F)(F)F"	0	""	""	1	1	383655	""
"672078"	"672078"	"Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate"	"CCOC(=O)C(NC(=O)Nc1ccccc1)(Nc2cccc(Cl)c2)C(F)(F)F"	0	""	""	2	1	383660	""
"672081"	"672081"	"Ethyl 2-benzamido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(cc2)S(=O)(=O)Nc3nc(C)cc(C)n3)C(F)(F)F"	0	""	""	1	1	383663	""
"672083"	"672083"	"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(cc2)S(=O)(=O)Nc3ncccn3)C(F)(F)F"	0	""	""	1	1	383665	""
"672085"	"672085"	"Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate"	"CCOC(=O)C(NC(=O)c1ccccc1)(c2ccc(cc2)S(=O)(=O)Nc3onc(C)c3C)C(F)(F)F"	0	""	""	1	1	383667	""
"672086"	"672086"	"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]-2-(trifluoromethyl)propanamide"	"NS(=O)(=O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1"	0	""	""	1	1	383668	""
"672087"	"672087"	"STK367517"	"OC(=O)CSC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	383669	""
"672089"	"672089"	"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]-2-(trifluoromethyl)propanamide"	"Cc1onc(NS(=O)(=O)c2ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)c1"	0	""	""	1	1	383671	""
"672090"	"672090"	"WUWDHQPLLZPRAK-UHFFFAOYSA-N"	"CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F"	0	""	""	1	1	383672	""
"672099"	"672099"	"STL323004"	"CCOC(=O)C(NC(=O)C)(Nc1ccc(F)cc1)C(F)(F)F"	0	""	""	1	1	383681	""
"672106"	"672106"	"2-Amino-12-phosphonododecanoic acid"	"NC(CCCCCCCCCCP(=O)(O)O)C(=O)O"	0	""	""	1	1	383686	""
"672108"	"672108"	"STL527070"	"NC(C\C=C\P(=O)(O)O)C(=O)O"	0	""	""	1	1	5882143	""
"672115"	"672115"	"9-.beta.-Hydroxyparthenolide"	"C\C\1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)C3C[C@@H]1O"	0	NA	NA	1	1	NA	""
"672116"	"672116"	"9-.alpha.-Acetoxyparthenolide"	"CC(=O)O[C@@H]1CC2[C@H](OC(=O)C2=C)[C@H]3O[C@]3(C)CC\C=C\1/C"	0	NA	NA	1	1	NA	""
"672117"	"672117"	""	"C[C@@]12CCC3O[C@]3(C)[C@H](O)CC4[C@H](OC(=O)C4=C)[C@H]1O2"	0	NA	NA	1	1	NA	""
"672118"	"672118"	""	"C[C@@]12CCC3O[C@]3(C)[C@@H](O)CC4[C@H](OC(=O)C4=C)[C@H]1O2"	0	NA	NA	1	1	NA	""
"672120"	"672120"	"Oxireno[9,10]cyclodeca[1,2-b]furan-6,9(7H,10aH)-dione, 1..."	"C\C\1=C/CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1=O"	0	NA	NA	2	2	NA	""
"672121"	"672121"	"2-Hydroxyethylthio-3-methylnaphthoquinone"	"CC1=C(SCCO)C(=O)c2ccccc2C1=O"	0	""	""	1	1	2876	""
"672131"	"672131"	"(2E,4E,6Z,8E)-N-(1,3-Benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	"C\C(=C\C=C\C(=C\C(=O)Nc1ccc2OCOc2c1)\C)\C=C\C3=C(C)CCCC3(C)C"	0	""	""	1	1	24202490	""
"672134"	"672134"	""	"OC1OC2COC(=O)c3cc4Oc5c(O)c(O)c(O)cc5C(=O)OC6C(O)OC7COC(=O)c8cc(O)c(O)c(O)c8c9c(O)c(O)c(Oc%10c(O)c(O)c(O)cc%10C(=O)OC1C(OC(=O)c%11cc(O)c(O)c(O)c%11)C2OC(=O)c%12cc(O)c(O)c(O)c%12c3c(O)c4O)cc9C(=O)OC7C6OC(=O)c%13cc(O)c(O)c(O)c%13"	0	NA	NA	1	1	NA	""
"672136"	"672136"	"9-.alpha.-Hydroxyparthenolide"	"C\C\1=C/CC[C@@]2(C)O[C@@H]2[C@H]3OC(=O)C(=C)C3C[C@H]1O"	0	NA	NA	2	1	NA	""
"672140"	"672140"	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"672141"	"672141"	""	"[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O"	0	NA	NA	2	2	NA	""
"672149"	"672149"	"1-[2-[2-(Chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one"	"Oc1nn(CCc2ccccc2CCl)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	383720	""
"672150"	"672150"	"2-Nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one"	"[O-][N+](=O)c1ccc2N3CCc4ccccc4CN3C(=O)c2c1"	0	""	""	1	1	383721	""
"672157"	"672157"	"5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde"	"CCCCCCCCCc1cc(sc1c2ccc(C=O)s2)c3ccc(C=O)s3"	0	""	""	2	2	383728	""
"672159"	"672159"	""	"CSC(=S)CC(O)[C@@H]1CC2c3ccccc3C1c4ccccc24"	0	NA	NA	1	1	NA	""
"672170"	"672170"	"2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)- 2-th..."	"OCc1ccc(s1)c2oc(cc2)c3ccc(C=O)s3"	0	""	""	2	2	383733	""
"672176"	"672176"	"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-cyanoethyl)-"	"CC(=CCNc1ncnc2c1ncn2CCC#N)C"	0	""	""	1	1	383738	""
"672177"	"672177"	"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carbo-t-bu..."	"CC(=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)C"	0	""	""	1	1	383739	""
"672194"	"672194"	""	"COc1ccc(OC)c(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	NA	NA	2	2	NA	""
"672195"	"672195"	""	"COc1ccc2nc(ccc2c1)\C(=C/C#N)\N"	0	NA	NA	1	1	NA	""
"672197"	"672197"	"(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile"	"Brc1cc2OCOc2cc1C(C#N)N3CCOCC3"	0	""	""	1	1	383755	""
"672199"	"672199"	"17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone"	"CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)c4cccc(OC)c4C3=O"	0	""	""	1	1	383757	""
"672202"	"672202"	""	"CCOC(=O)C(C)(\C(=C/Cl)\Cl)C(=O)OCC"	0	NA	NA	1	1	NA	""
"672210"	"672210"	"2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium"	"[O-][n+]1onc(c2ccccc2)c1c3no[n+]([O-])c3c4c(no[n+]4[O-])c5ccccc5"	0	""	""	1	1	383766	""
"672215"	"672215"	"3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile"	"N#Cc1cccc(Nc2ccccc2SSc3ccccc3Nc4cccc(c4)C#N)c1"	0	""	""	3	1	383771	""
"672219"	"672219"	"2-Hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	"Cc1ccc(N\N=C\C2=CC(C)(C)C(C#N)(C#N)C(=C2C#N)O)cc1"	0	""	""	1	1	9571495	""
"672221"	"672221"	""	"CC(OC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)OCC=C)[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"672227"	"672227"	"STK806155"	"CN(C)c1cccc2c1C(=O)C=CC23CCc4ccc(N(C)C)c5c(ccc3c45)N(C)C"	0	""	""	1	1	383780	""
"672228"	"672228"	"6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one"	"CN(C)c1cccc2c1C(=O)C=CC23C(C(c4ccccc4)c5ccc(N(C)C)c6c(ccc3c56)N(C)C)c7ccccc7"	0	""	""	1	1	383781	""
"672229"	"672229"	""	"O[C@@]12[C@@H](CC(=O)Nc3ccccc13)[C@@H]([C@@H]4[C@@H]2C(=O)Nc5ccccc5C4=O)c6ccc(Br)cc6"	0	NA	NA	1	1	NA	""
"672232"	"672232"	"9-chloropaullone"	"Clc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	383785	""
"672234"	"672234"	"10-bromopaullone"	"Brc1ccc2c3CC(=O)Nc4ccccc4c3[nH]c2c1"	0	""	""	1	1	383787	""
"672295"	"672295"	""	"CCOC(=O)\C(=N\Nc1ccccc1)\N2C(=CC(=NN(C)C2=S)C)S"	0	NA	NA	1	1	NA	""
"672303"	"672303"	"10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione"	"CCN1c2ccccc2NC(=S)c3c1[nH]nc3c4ccccc4"	0	""	""	1	1	3005109	""
"672304"	"672304"	"1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine"	"CSC1=Nc2ccccc2N(C)c3c1c(nn3C)c4ccccc4"	0	""	""	1	1	383801	""
"672305"	"672305"	"12-Ethyl-3-methyl-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7,10,13,15-heptaene"	"CCN1c2ccccc2n3c(C)nnc3c4c(n[nH]c14)c5ccccc5"	0	""	""	1	1	383802	""
"672306"	"672306"	"10-Ethyl-12-methyl-3,8-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7(11),8,13,15-heptaene"	"CCn1nc(c2ccccc2)c3c4nnc(c5ccccc5)n4c6ccccc6N(C)c13"	0	""	""	1	1	383803	""
"672342"	"672342"	"4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine"	"C(CN1CCOCC1)OCCn2c3CCCCc3c4ccccc24"	0	""	""	1	1	383806	""
"672348"	"672348"	"5,5''-Dihydroxymethyl-2,2',5',2''-terfuran"	"OCc1oc(cc1)c2oc(cc2)c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"672424"	"672424"	"2-(5-Bromo-6-formyl-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethyl nitrate"	"CN1C(=O)N(CCO[N+](=O)[O-])C(=C(Br)C1=O)C=O"	0	""	""	1	1	383812	""
"672425"	"672425"	"1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt"	"N[C@@H](Cc1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1)C(=O)O"	0	NA	NA	1	1	NA	""
"672429"	"672429"	"Benzyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,11,14-tetraoxo-1,3,6,12-tetrazacyclotetradec-8-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate"	"CC(C)CC1NC(=O)CCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)OCc3ccccc3)C(=O)NC(Cc4ccccc4)C(=O)NC(Cc5ccccc5)NC1=O"	0	""	""	1	1	495902	""
"672434"	"672434"	"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)N4CCCC4C(=O)NCC(=O)N"	0	""	""	1	1	383818	""
"672435"	"672435"	"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-oxohexyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	""	""	1	1	383819	""
"672436"	"672436"	""	"CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	NA	NA	1	1	NA	""
"672437"	"672437"	""	"CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	NA	NA	1	1	NA	""
"672442"	"672442"	"Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid"	"CC1(C)CCC(C)(C)C1C(=O)NC(O)C(=O)O"	0	""	""	1	1	383825	""
"672446"	"672446"	"Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate"	"CC(C)OC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2)NC(=O)C3C(C)(C)CCC3(C)C"	0	""	""	2	1	383829	""
"672449"	"672449"	"3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one"	"O=C(N1C(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC1c4ccccc4)c5ccccc5"	0	""	""	1	1	383832	""
"672451"	"672451"	""	"C(Oc1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1)c5ccccc5"	0	NA	NA	2	2	NA	""
"672453"	"672453"	"2-[[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid"	"CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC3c4ccccc4c5ccccc35)C(=O)O"	0	""	""	1	1	383837	""
"672454"	"672454"	"Benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate"	"CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)NC(Cc4ccccc4)C(=O)OCc5ccccc5"	0	""	""	2	1	383838	""
"672457"	"672457"	"Benzyl 2-[[1-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]cyclopentanecarbonyl]amino]-3-phenylpropanoate"	"CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C2(CCCC2)C(=O)NC(Cc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	1	1	383841	""
"672462"	"672462"	"Benzyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-"	"CC(OCc1ccccc1)C(NC(=O)C(CSN(C)C(=O)C)NC(=O)C(NC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(Cc6ccccc6)NC(=O)OCc7ccccc7)C(C)OCc8ccccc8)C(=O)N"	0	""	""	1	1	16130239	""
"672463"	"672463"	"Benzyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-"	"CC(OCc1ccccc1)C(NC(=O)C(CSN(C)C(=O)C)NC(=O)C(NC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)C(Cc3cn(C=O)c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(Cc6ccccc6)NC(=O)OCc7ccccc7)C(C)OCc8ccccc8)C(=O)N"	0	""	""	1	1	16129803	""
"672464"	"672464"	"Benzyl N-[1-[[4-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)carbamoyl]-16-benzyl-13-[(1-formylindol-3-yl)methyl]-6,9,12,15,18-pentaoxo-10-[4-(phenylmethoxycarbonylamino)butyl]-7-(1-phenylmethoxyethyl)-1"	"CC(OCc1ccccc1)C(NC(=O)C2CSSCC(NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)C(=O)NC(Cc5ccccc5)C(=O)NC(Cc6cn(C=O)c7ccccc67)C(=O)NC(CCCCNC(=O)OCc8ccccc8)C(=O)NC(C(C)OCc9ccccc9)C(=O)N2)C(=O)N"	0	""	""	2	2	16129804	""
"672472"	"672472"	"6-(Aziridin-1-yl)-7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	"COC1=C(N2CC2)C(=O)c3nc4CCCn4c3C1=O"	0	""	""	1	1	383842	""
"672552"	"672552"	"antineoplastic-672552"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5c(N)c6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"672553"	"672553"	"antineoplastic-672553"	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4cc5cc(N)ccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"672645"	"672645"	""	"CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"672647"	"672647"	"Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-"	"Nc1cc(OCc2ccccc2)c(OCc3ccccc3)cc1C=O"	0	""	""	1	1	383866	""
"672652"	"672652"	"2-[[2-[[2-[[3-(1H-Indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]"	"CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4)C(=O)NC(Cc5ccccc5)C(=O)O"	0	""	""	1	1	383872	""
"672655"	"672655"	""	"CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4ccccc4)NC(=O)[C@H]5CCC[C@H]5NC(=O)C(Cc6ccccc6)NC1=O"	0	NA	NA	1	1	NA	""
"672661"	"672661"	""	"CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)[C@H]2CC[C@@H](C2)NC(=O)C(Cc3ccc(OC(C)(C)C)cc3)NC(=O)OC(C)(C)C)C(=O)N"	0	NA	NA	1	1	NA	""
"672663"	"672663"	"Methyl 1-[[2-[[2-[[2-[[3-(1H-indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)ox"	"COC(=O)C1(CCCC1)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)OCc6ccccc6)C(C)OC(C)(C)C"	0	""	""	1	1	461803	""
"672670"	"672670"	"Tert-butyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,12,14-tetraoxo-1,3,6,11-tetrazacyclotetradec-8-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate"	"CC(C)CC1C(=O)NCCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)NC1=O"	0	""	""	1	1	495913	""
"672671"	"672671"	""	"CC(C)CC1C(=O)NCCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)NC1=O"	0	NA	NA	1	1	NA	""
"672674"	"672674"	""	"CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"672676"	"672676"	"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-cyclohexyl-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate"	"COC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2)C3CCCCC3"	0	""	""	1	1	495917	""
"672805"	"672805"	"N'-[1-[3-(Trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide"	"CC(NNC(=O)c1ccncc1)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	383894	""
"672812"	"672812"	"Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"CC(NNC(=O)c1cc[n+]([BH2+3][C-]#N)cc1)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	6334930	""
"672864"	"672864"	""	"CCOP(=O)(OCC)\C(=C\c1cccn1N(C)C)\C#N"	0	NA	NA	1	1	NA	""
"672866"	"672866"	"(E)-2-Diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile"	"CCOP(=O)(OCC)\C(=C\c1cnc([nH]1)c2ccccc2)\C#N"	0	""	""	1	1	5468613	""
"672868"	"672868"	""	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2oc(\C=C/C#N)cc2"	0	NA	NA	1	1	NA	""
"672876"	"672876"	"7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine"	"COc1cc2CCN(C)OC(C=C)c2cc1OC"	0	""	""	1	1	383920	""
"672878"	"672878"	"J3.513.434D"	"COc1cc2CCN(C)OC(C(=C)c3ccccc3)c2cc1OC"	0	""	""	1	1	383922	""
"672883"	"672883"	"Diethyl 2-((4-((3-(ethoxycarbonyl)-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2C(=O)OCC)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	383927	""
"672904"	"672904"	"Hexadecanaminium, N-(chloromethyl)-N,N-dimethyl-, chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCl"	0	""	""	2	2	383939	""
"672907"	"672907"	"(10E)-10-(Pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione"	"O=C1OC2=C\C(=C/c3ccccn3)\C(=O)c4cccc1c24"	0	""	""	1	1	5468621	""
"672916"	"672916"	""	"N[C@@H](CCC(=O)NC(Cc1ccccc1)C(=O)NCP(=O)(O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"672918"	"672918"	""	"N[C@H](CCC(=O)NCP(=O)(O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"672974"	"672974"	""	"CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	NA	""
"672975"	"672975"	""	"CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N"	0	NA	NA	2	2	NA	""
"672990"	"672990"	""	"CS\C=C/C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)Cc3c(C)coc3[C@H](O)[C@H]2C1"	0	NA	NA	1	1	NA	""
"673095"	"673095"	""	"CC\C(=N/NC(=S)N\N=C(/CC)\C=C\c1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"673099"	"673099"	"5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol"	"Cc1nc(C)c(N2CCN(CC2)C#N)c(O)n1"	0	""	""	1	1	135422862	""
"673100"	"673100"	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid"	"Cc1nc(C)c(N2CCN(CC2)C(=O)O)c(O)n1"	0	""	""	1	1	135401754	""
"673103"	"673103"	"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	"Cc1nc(C)c(N2CCN(CC2)S(=O)(=O)N)c(O)n1"	0	""	""	1	1	135427646	""
"673104"	"673104"	"N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide"	"Cc1nc(C)c(N2CCN(CC2)S(=O)(=O)N(Cc3ccccc3)Cc4ccccc4)c(O)n1"	0	""	""	2	2	135426540	""
"673105"	"673105"	"2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol"	"Cc1nc(C)c(N2CCN(CC2)[N+](=O)[O-])c(O)n1"	0	""	""	1	1	135489784	""
"673106"	"673106"	"Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)N1CCN(CC1)c2c(C)nc(C)nc2O)C(=O)OCC"	0	""	""	1	1	135489785	""
"673107"	"673107"	"N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid"	"Cc1nc(C)c(N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O)c(O)n1"	0	""	""	1	1	135444429	""
"673117"	"673117"	"1-[3-(Dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone"	"CN(C)C1=NN=C2C(S1)N(C(=O)C)c3ccccc23"	0	""	""	1	1	384013	""
"673131"	"673131"	"4-[4-[2,3-Bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C"	0	""	""	1	1	384021	""
"673132"	"673132"	"2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate"	"CC(=O)Oc1ccc(cc1OC(=O)C)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	384022	""
"673134"	"673134"	"STK643725"	"CC(=O)Oc1ccc(cc1)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	384024	""
"673135"	"673135"	"AN-308/15495050"	"CC(=O)Oc1ccc(cc1)C2=Cc3ccc(OC(=O)C)cc3OC2=O"	0	""	""	2	2	384025	""
"673137"	"673137"	"2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate"	"CC(=O)Oc1ccc2C=C(C(=O)Oc2c1)c3ccccc3OC(=O)C"	0	""	""	1	1	384027	""
"673139"	"673139"	""	"[O-][N+](=O)C(=C(N1CCOCC1)N2CCOCC2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	NA	""
"673140"	"673140"	""	"[O-][N+](=O)C(=C(Nc1ccccc1)Nc2ccccc2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	NA	""
"673141"	"673141"	"1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-"	"Cc1ccc(NC(=C(\C=C(/Cl)\[N+](=O)[O-])[N+](=O)[O-])Nc2ccc(C)cc2C)c(C)c1"	0	""	""	2	2	5971834	""
"673144"	"673144"	"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate"	"[O-][N+](=O)\C(=C(/SC#N)\C(=C(Cl)Cl)Cl)\Cl"	0	""	""	2	2	3005114	""
"673146"	"673146"	"(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide"	"[O-][N+](=O)C(=C(NCc1ccccc1)NCc2ccccc2)C(=C(Cl)Cl)Cl"	0	""	""	1	1	384035	""
"673150"	"673150"	"STL334553"	"[O-][N+](=O)\C(=C(\Sc1ccccc1)/N2CCCCC2)\C(=C(Cl)Cl)Cl"	0	""	""	2	2	1617552	""
"673151"	"673151"	"C14H13Cl3N2O3S"	"[O-][N+](=O)\C(=C(\Sc1ccccc1)/N2CCOCC2)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	1617553	""
"673155"	"673155"	""	"[O-][N+](=O)C(=C(N1CCCCC1)N2CCCCC2)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	1	1	NA	""
"673181"	"673181"	""	"C1CN=C(N\N=C\c2cccc3cc4ccncc4nc23)N1"	0	NA	NA	1	1	NA	""
"673182"	"673182"	"N-Butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine"	"CCCCNC1CCC2(SCCS2)c3[nH]c4ccccc4c13"	0	""	""	2	2	384058	""
"673183"	"673183"	"N-Butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	"CCCCN(C1CCC(=O)c2[nH]c3ccccc3c12)C(=O)c4ccccc4"	0	""	""	1	1	384059	""
"673185"	"673185"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6occc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	384060	""
"673186"	"673186"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cocc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	384061	""
"673187"	"673187"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4occc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	384062	""
"673188"	"673188"	"2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccc(F)cc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB"	""	2	2	384063	""
"673190"	"673190"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccncc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	384065	""
"673191"	"673191"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4cccc(c4)C(F)(F)F)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	384066	""
"673192"	"673192"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(N)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	384067	""
"673193"	"673193"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03"	"CN(C)c1ccc(cc1)C(=O)N[C@H]([C@@H](O)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)C)C(=C2C)C3(C)C)OC(=O)C)c7ccccc7"	0	""	""	2	2	384068	""
"673267"	"673267"	"IL4(38-37)-PE38KDEL"	""	0	NA	NA	4	3	NA	""
"673294"	"673294"	"5-Chloro-6-[1-hydroxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one"	"CN1C(=O)Oc2cc(C(O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc12"	0	""	""	1	1	384072	""
"673295"	"673295"	""	"COc1ccc2CC3([C@@H](C4C([C@H]3c5ccccc5)c6ccc(OC)cc6C4=O)c7ccccc7)C(=O)c2c1"	0	NA	NA	1	1	NA	""
"673297"	"673297"	""	"COc1cc2CC3([C@@H](C4C([C@H]3c5ccccc5)c6cc(OC)c(OC)cc6C4=O)c7ccccc7)C(=O)c2cc1OC"	0	NA	NA	1	1	NA	""
"673298"	"673298"	""	"COc1cc(cc(OC)c1OC)[C@@H]2C3C([C@@H](c4cc(OC)c(OC)c(OC)c4)C25Cc6ccccc6C5=O)c7ccccc7C3=O"	0	NA	NA	1	1	NA	""
"673300"	"673300"	"(4-Chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol"	"CC1(C)COC(=N1)c2cccc(c2)C(O)c3ccc(Cl)cc3"	0	""	""	1	1	384078	""
"673303"	"673303"	"2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol"	"CC(C)(Cc1ccccc1)Cc2cc(O)ccc2O"	0	""	""	1	1	384081	""
"673319"	"673319"	"6-{[2-(3,5-Dichloro-4-hydroxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione"	"Oc1c(Cl)cc(CCNC2=CC(=O)c3[nH]cnc3C2=O)cc1Cl"	0	""	""	1	1	384097	""
"673320"	"673320"	"N,N-Diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione"	"Oc1ccc(CCNC2=CC(=O)c3[nH]cnc3C2=O)cc1[N+](=O)[O-]"	0	""	""	1	1	24202492	""
"673321"	"673321"	"Benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	"COC1=CC(=O)c2c(CCNC(=O)OCc3ccccc3)n[nH]c2C1=O"	0	""	""	1	1	384098	""
"673322"	"673322"	"10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide"	"COC1=CC2=NCCc3n[nH]c(C1=O)c23"	0	""	""	1	1	384099	""
"673341"	"673341"	"2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid"	"CSCCC(NCc1c(O)ccc2C=CC(=O)Oc12)C(=O)O"	0	""	""	1	1	5466063	""
"673343"	"673343"	"5,8-Bis[(cyclopropylmethyl)amino]naphthalene-1,4-dione"	"O=C1C=CC(=O)c2c(NCC3CC3)ccc(NCC4CC4)c12"	0	""	""	1	1	384114	""
"673344"	"673344"	"N-[9,10-Dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide"	"C=CC(=O)Nc1ccc(NC(=O)C=C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	384115	""
"673347"	"673347"	"Naphthalene, 1,4-bis(oxiranylmethoxy)-"	"C(Oc1ccc(OCC2CO2)c3ccccc13)C4CO4"	0	""	""	1	1	384118	""
"673348"	"673348"	"9,10-Anthracenedione, 1-[(oxiranylmethyl)amino]-"	"O=C1c2ccccc2C(=O)c3c(NCC4CO4)cccc13"	0	""	""	2	2	384119	""
"673349"	"673349"	"9,10-Anthracenedione, 1,4-bis[[2-hydroxy-3-(propylamino)..."	"CCCNCC(O)CNc1ccc(NCC(O)CNCCC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	1	1	384120	""
"673350"	"673350"	"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione"	"O=C1c2ccccc2C(=O)c3c(OCC4CO4)ccc(OCC5CO5)c13"	0	""	""	2	2	176718	""
"673414"	"673414"	"2-Phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide"	"O=C(NCCCNCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	1	384126	""
"673415"	"673415"	"N-[3-[2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenylquinoline-4-carboxamide"	"[O-][N+](=O)c1cc2C(=O)N(CCNCCCNC(=O)c3cc(nc4ccccc34)c5ccccc5)C(=O)c6cccc(c1)c26"	0	""	""	2	2	384127	""
"673418"	"673418"	"N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide"	"Oc1cccc(C(=O)NCCNCCCNC(=O)c2cc(nc3ccccc23)c4ccccc4)c1O"	0	""	""	1	1	384131	""
"673420"	"673420"	"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene"	"COc1ccc(SCc2cc(OC)ccc2OC)cc1"	0	""	""	2	2	384133	""
"673421"	"673421"	"2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol"	"Oc1ccc(SCc2cc(O)ccc2O)cc1"	0	""	""	2	2	384134	""
"673423"	"673423"	"JBTRUPZYRYLZFH-UHFFFAOYSA-N"	"COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC"	0	""	""	1	1	384136	""
"673428"	"673428"	"2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene"	"COc1ccc(OC)c(CSc2ccc(OC)c(OC)c2)c1"	0	""	""	2	1	384141	""
"673429"	"673429"	"1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene"	"COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1"	0	""	""	2	2	384142	""
"673435"	"673435"	"2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccccc4)c5ccccc5"	0	""	""	1	1	384148	""
"673437"	"673437"	"6-Methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine"	"CSC1=Nc2ccccc2c3nc(cc(c3C1)c4ccccc4)c5ccccc5"	0	""	""	1	1	384149	""
"673445"	"673445"	""	"CN1C(=O)C2C3OC(COCC#C)(C=C3)C2C1=O"	0	NA	NA	1	1	NA	""
"673448"	"673448"	"9610AA"	"[O-][N+](=O)c1cc(Cl)cc2cc(Br)cnc12"	0	""	""	2	1	384158	""
"673449"	"673449"	"6-Bromo-3-chloro-8-nitroquinoline"	"[O-][N+](=O)c1cc(Br)cc2cc(Cl)cnc12"	0	""	""	1	1	384159	""
"673450"	"673450"	"FS-3756"	"Oc1cc(F)cc2cccnc12"	0	""	""	2	2	384160	""
"673451"	"673451"	"K9AEQ8892Y"	"Oc1c(Cl)ccc2cccnc12"	0	""	""	1	1	24691	""
"673452"	"673452"	"7-Bromoquinolin-8-ol"	"Oc1c(Br)ccc2cccnc12"	0	""	""	2	2	384161	""
"673453"	"673453"	"CC-833"	"Oc1cc(Cl)cc2cccnc12"	0	""	""	2	2	384162	""
"673454"	"673454"	"6-Bromoquinolin-8-ol"	"Oc1cc(Br)cc2cccnc12"	0	""	""	2	2	384163	""
"673455"	"673455"	"ACT01953"	"Oc1cccc2c(Cl)ccnc12"	0	""	""	2	2	384164	""
"673456"	"673456"	"4-Bromoquinolin-8-ol"	"Oc1cccc2c(Br)ccnc12"	0	""	""	2	2	384165	""
"673457"	"673457"	"FCH1155889"	"Oc1cccc2cc(Cl)cnc12"	0	""	""	2	2	384166	""
"673458"	"673458"	"3-Bromoquinolin-8-ol"	"Oc1cccc2cc(Br)cnc12"	0	""	""	2	2	384167	""
"673463"	"673463"	"3,6-Dichloro-8-quinolinol"	"Oc1cc(Cl)cc2cc(Cl)cnc12"	0	""	""	1	1	384172	""
"673464"	"673464"	"3,6-Dibromoquinolin-8-ol"	"Oc1cc(Br)cc2cc(Br)cnc12"	0	""	""	1	1	384173	""
"673498"	"673498"	"3-Bromo-6-chloroquinolin-8-ol"	"Oc1cc(Cl)cc2cc(Br)cnc12"	0	""	""	2	2	384174	""
"673499"	"673499"	"7JX"	"Oc1cc(Br)cc2cc(Cl)cnc12"	0	""	""	2	2	384175	""
"673500"	"673500"	"(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene"	"CC(C)CCCC(Cl)(CBr)C(=C)Cl"	0	""	""	2	2	3847619	""
"673501"	"673501"	"(-)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	2	2	NA	""
"673502"	"673502"	"(+)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene"	"CC(C)(Cl)C(Br)CCC(Cl)(CBr)C(=C)Cl"	0	NA	NA	2	2	NA	""
"673503"	"673503"	"synthetic halomon"	"CC(C)(Cl)[C@H](Br)CC[C@@](Cl)(CBr)C(=C)Cl"	0	""	""	2	2	132430	""
"673516"	"673516"	"SGZNOQTWBIMLDO-BQYQJAHWSA-N"	"CN(C)\C=C\c1nnnn1c2ccc(I)cc2"	0	""	""	1	1	5367729	""
"673517"	"673517"	""	"N(\C=C\c1nnnn1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"673535"	"673535"	"2-[(1E,3E)-Cyclotetradeca-1,3-dien-1-yl]propan-2-ol"	"CC(C)(O)\C\1=C\C=C\CCCCCCCCCC1"	0	""	""	1	1	5468654	""
"673591"	"673591"	"9-Chloro-10,11-methylenedioxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(Cl)c6OCOc6cc5nc34)C2=O"	0	""	""	2	2	468671	""
"673592"	"673592"	"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"673593"	"673593"	"7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6c(N)c15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"673594"	"673594"	"7-Methyl-10,11-methylenedioxy-20(S)-camptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(C)c5cc6OCOc6cc5nc34)C2=O"	0	""	""	2	2	468672	""
"673595"	"673595"	"7-Ethyl-9-amino-20(S)-camptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cccc(N)c15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"673596"	"673596"	"7-Ethyl-10-hydroxycamptothecin"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	4	4	104842	"86639523"
"673597"	"673597"	"Methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate"	"COC(=O)\C=C\CCC#Cc1ccccc1C#CCC\C=C\C(=O)OC"	0	""	""	1	1	6182119	""
"673606"	"673606"	"10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one"	"COc1cc(cc(OC)c1OC)C2N3C(CCC3=O)C(O)c4cc5OCOc5cc24"	0	""	""	1	1	384201	""
"673610"	"673610"	"11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[6,5-f]indolizine-7,10-dione"	"COc1cc(cc(OC)c1OC)C2N3C(CCC3=O)C(=O)c4c(O)c5OCOc5cc24"	0	""	""	1	1	384205	""
"673622"	"673622"	"2-Pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl..."	"COC(=O)C1CCC(=O)N1C(c2ccc(OC)cc2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	384217	""
"673629"	"673629"	"UJGWKTSSCIBXIB-UHFFFAOYSA-N"	"COc1ccc(cc1)C(O)c2ccc3OCOc3c2"	0	""	""	1	1	384224	""
"673631"	"673631"	"Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'..."	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(C(N=[N+]=[N-])C1O)N2C=CC(=O)NC2=O"	0	""	""	1	1	384226	""
"673650"	"673650"	"4-Piperidinone, 1-methyl-2,6-bis[(2-nitrophenyl)methylene]-"	"CN1C\C(=C/c2ccccc2[N+](=O)[O-])\C(=O)\C(=C\c3ccccc3[N+](=O)[O-])\C1"	0	NA	NA	2	2	NA	""
"673652"	"673652"	"2-Ethylaminoestradiol"	"CCNc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	NA	NA	2	2	NA	""
"673784"	"673784"	"Naphthalen-1(4H)-one, 2-hydroxy-4-[(5-methyl-3-isoxazoly..."	"Cc1onc(c1)\N=C\2/C=C(O)C(=O)c3ccccc23"	0	""	""	2	2	384243	""
"673785"	"673785"	"4-[(4-Methyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione"	"Cc1cnoc1\N=C\2/C=C(O)C(=O)c3ccccc23"	0	""	""	1	1	384244	""
"673787"	"673787"	"C15H12N2O3"	"Cc1noc(\N=C\2/C=C(O)C(=O)c3ccccc23)c1C"	0	""	""	1	1	133732	""
"673788"	"673788"	"[(4E)-4-(3,4-Dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)OC2=C\C(=N/c3onc(C)c3C)\c4ccccc4C2=O"	0	""	""	1	1	9571500	""
"673789"	"673789"	"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine"	"CC(CN(C)C)Nc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	1	1	125178	""
"673790"	"673790"	"1-Nitro-9-(3-isopropylaminopropylamino)acridine"	"CC(C)NCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	149747	""
"673791"	"673791"	"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-"	"CCCCCCNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	149592	""
"673792"	"673792"	"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-1-nitro-"	"OCCNCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	2	384246	""
"673793"	"673793"	"9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-..."	"COc1ccc2nc3cccc(c3c(NCCN(CCO)CCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	384247	""
"673794"	"673794"	"9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"CCCCCCNCCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	3	2	384248	""
"673795"	"673795"	"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-met..."	"COc1ccc2nc3cccc(c3c(NCCNCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	384249	""
"673796"	"673796"	"9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]..."	"COc1ccc2nc3cccc(c3c(NCCNCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	2	2	384250	""
"673797"	"673797"	"9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-"	"COc1ccc2nc3cccc(c3c(NCCCO)c2c1)[N+](=O)[O-]"	0	""	""	2	1	384251	""
"673798"	"673798"	"9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine"	"COc1ccc2nc3cccc(c3c(NC(C)CN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	384252	""
"673799"	"673799"	"Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-"	"COc1ccc2nc3cccc(c3c(NCCCCCC(=O)O)c2c1)[N+](=O)[O-]"	0	""	""	2	2	384253	""
"673800"	"673800"	"1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine"	"CNCCCNc1c2cc(OC)ccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	1	1	384254	""
"673801"	"673801"	"9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	"COc1ccc2nc3cc(ccc3c(NCCCCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	384255	""
"673802"	"673802"	"2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol"	"COc1ccc2nc3cc(ccc3c(NCCO)c2c1)[N+](=O)[O-]"	0	""	""	1	1	384256	""
"673803"	"673803"	"9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]- ..."	"COc1ccc2nc3cc(ccc3c(NCCCN(CCO)CCO)c2c1)[N+](=O)[O-]"	0	""	""	2	2	384257	""
"673804"	"673804"	"9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine"	"COc1ccc2nc3cc(ccc3c(NCCCN(C)C)c2c1)[N+](=O)[O-]"	0	""	""	1	1	384258	""
"673805"	"673805"	"Propanoic acid, 3-[(1-nitro-9-acridinyl)amino]-, methyl ..."	"COC(=O)CCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	""	""	2	1	384259	""
"673807"	"673807"	"1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile"	"CC1(C#N)N(C(=O)c2ccccc2)c3ccccc3N1C(=O)c4ccccc4"	0	""	""	1	1	384261	""
"673811"	"673811"	"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	"Brc1ccc(cc1)C2CC3(ON=C(N3c4ccccc4S2)c5ccccc5)c6ccccc6"	0	""	""	1	1	384263	""
"673814"	"673814"	"5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine"	"[O-][N+](=O)c1ccc(cc1)C2CC3(ON=C(N3c4ccccc4S2)c5ccccc5)c6ccccc6"	0	""	""	1	1	384266	""
"673824"	"673824"	""	"[O-][N+](=O)c1ccc(\C=C\C23=C4C5=C6C7=C2[Cr]34567(C#O)(C#O)C#O)cc1"	0	NA	NA	1	1	NA	""
"673827"	"673827"	""	"C\C(=N/NC(=S)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	NA	NA	1	1	NA	""
"673828"	"673828"	""	"C\C(=N/NC(=O)N\N=C(/C)\c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	NA	""
"673829"	"673829"	"Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl- 2-p..."	"CCN(CC)C(=S)N\N=C(/C)\c1cccc(C)n1"	0	""	""	2	2	9554740	""
"673830"	"673830"	""	"CCNC(=S)N\N=C(/C)\c1cccc(C)n1"	0	NA	NA	1	1	NA	""
"673831"	"673831"	"1-Piperidinecarbothioic acid, 2-[1-(6-methyl- 2-pyridiny..."	"C\C(=N/NC(=S)N1CCCCC1)\c2cccc(C)n2"	0	NA	NA	2	2	NA	""
"673832"	"673832"	"1-Ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea"	"CCNC(=S)N\N=C\c1ccccn1"	0	""	""	1	1	7728685	""
"673833"	"673833"	"2-formylpyridine, diethylthiosemicarbazone"	"CCN(CC)C(=S)N\N=C\c1ccccn1"	0	""	""	2	2	9554745	""
"673834"	"673834"	"ACM189288640"	"CCNC(=S)N\N=C\c1cc(OC)ccc1O"	0	""	""	1	1	135484933	""
"673835"	"673835"	"1-Ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea"	"CCNC(=S)N\N=C\c1cc(ccc1O)[N+](=O)[O-]"	0	""	""	1	1	135484931	""
"673836"	"673836"	"1,1-Diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea"	"CCN(CC)C(=S)N\N=C\c1cc(OC)ccc1O"	0	""	""	1	1	135484935	""
"673837"	"673837"	"1,1-Diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea"	"CCN(CC)C(=S)N\N=C\c1cc(ccc1O)[N+](=O)[O-]"	0	""	""	1	1	135484937	""
"673838"	"673838"	""	"C\C(=N/NC(=S)N\N=C(/C)\C=C\c1ccccc1)\C=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"673841"	"673841"	"1H-Dipyrazolo[1,5-a:4',3'-e]pyrimidine-3,4,7-triamine, 6..."	"Nc1n[nH]c2c1c(N)nc3c(N=Nc4ccc(Br)cc4)c(N)nn23"	0	""	""	3	3	135489789	""
"673843"	"673843"	""	"CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Br)cc3)c(N)nn12"	0	NA	NA	2	1	NA	""
"673844"	"673844"	"2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile"	"CSc1c(C#N)c(N)nc2c(N=Nc3ccc(Cl)cc3)c(N)nn12"	0	""	""	2	2	384286	""
"673913"	"673913"	"Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-"	"CS(=O)(=O)NC12CCC(c3ccccc13)c4ccccc24"	0	""	""	1	1	384296	""
"673914"	"673914"	"1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene"	"COC1(OC)C2(Cl)C3COCC3C1(Cl)C(=C2Cl)Cl"	0	""	""	2	1	384297	""
"673916"	"673916"	"[7,7-Diethoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate"	"CCOC1(OCC)C2C=CC1C(COS(=O)(=O)c3ccc(C)cc3)C2COS(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	384299	""
"673921"	"673921"	"Benzenesulfonic acid, 4-methyl-, 2-[4-(1,1-dimethylethyl..."	"C[C@H]1C[C@H](CC/C/1=N/NS(=O)(=O)c2ccc(C)cc2)C(C)(C)C"	0	NA	NA	1	1	NA	""
"673993"	"673993"	"4-Chloro-N-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)Nc2nnc3c(Cl)cc(cn23)C(F)(F)F"	0	""	""	2	1	384309	""
"674007"	"674007"	"4-Chloro-N-(N-(4-chlorophenyl)carbamohydrazonoyl)-2-merc..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N\C(=N\N)\Nc2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"674009"	"674009"	"4-Chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N=C2NCCCN2"	0	""	""	1	1	384325	""
"674019"	"674019"	"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-y"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)Nc4n[nH]c(Nc5ccc6ccccc6c5)n4)C(=O)Nc7ccc(Cl)cc7)cc2Cl)S(=O)(=O)Nc8n[nH]c(Nc9ccc%10ccccc%10c9)n8)cc1"	0	""	""	2	1	16129908	""
"674049"	"674049"	"Calystegine B2"	"O[C@H]1[C@H](O)[C@@H]2CC[C@@](O)(N2)[C@@H]1O"	0	""	""	2	1	384346	""
"674050"	"674050"	"Casuarine"	"O[C@H]1CN2[C@H](O)[C@@H](O)[C@H](O)[C@H]2C1O"	0	""	""	2	1	384347	""
"674065"	"674065"	""	"COc1ccc(\C=C/2\N(CCc3cc(OC)c(OC)cc23)C(=O)c4ccccc4)cc1OC"	0	NA	NA	1	1	NA	""
"674066"	"674066"	"stereoisomer of nsc 674067-p"	"COc1ccc2[nH]cc([C@@H]3C4CCC(C4)[C@H]3NCc5cccc(CN[C@H]6C7CCC(C7)[C@@H]6c8c[nH]c9ccc(OC)cc89)c5)c2c1"	0	NA	NA	3	2	NA	""
"674067"	"674067"	"stereoisomer of nsc 674066-o"	"COc1ccc2[nH]cc([C@@H]3C4CCC(C4)[C@H]3NCc5cccc(CN[C@H]6C7CCC(C7)[C@@H]6c8c[nH]c9ccc(OC)cc89)c5)c2c1"	0	NA	NA	2	1	NA	""
"674068"	"674068"	"N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)Nc2cc(Br)c(Br)cc2S(=O)(=O)N"	0	""	""	1	1	384360	""
"674071"	"674071"	"2-[(Dimethylamino)methyl]-4-(phenylazo)phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2ccccc2"	0	""	""	1	1	384361	""
"674076"	"674076"	"2-(Dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2cccc(C)c2"	0	""	""	1	1	384366	""
"674078"	"674078"	"4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2ccc(C)c(C)c2"	0	""	""	1	1	384368	""
"674079"	"674079"	"4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol"	"CN(C)Cc1cc(ccc1O)N=Nc2c(C)cccc2C"	0	""	""	1	1	384369	""
"674085"	"674085"	"Quinoline-4-carboxamide, N,N'-[(methylimino) bis(2,1-eth..."	"CN(CCNC(=O)c1cc(nc2ccccc12)c3ccccc3)CCNC(=O)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	2	384377	""
"674091"	"674091"	"2-Phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide"	"O=C(NCCCNCCCCNCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	2	2	384384	""
"674092"	"674092"	"Quinoline-4-carboxamide, N,N'-[(1,4-piperazinediyl) bis(..."	"O=C(NCCCN1CCN(CCCNC(=O)c2cc(nc3ccccc23)c4ccccc4)CC1)c5cc(nc6ccccc56)c7ccccc7"	0	NA	NA	2	2	NA	""
"674093"	"674093"	"2-Phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide"	"O=C(NCCCCCCCCNC(=O)c1cc(nc2ccccc12)c3ccccc3)c4cc(nc5ccccc45)c6ccccc6"	0	""	""	1	1	384387	""
"674096"	"674096"	"2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone"	"CNC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	135399871	""
"674097"	"674097"	"2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarb..."	"CC(C)NC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	135440007	""
"674098"	"674098"	"2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carb..."	"CCC(C)NC(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	135440008	""
"674099"	"674099"	"2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicar..."	"C\C(=N/NC(=S)NC(C)(C)C)\c1nc2cccnc2[nH]1"	0	""	""	2	2	135440009	""
"674100"	"674100"	"2-Acetylimidazo[4,5-b]pyridin 4,4 dimethyl 3 thio-semica..."	"CN(C)C(=S)N\N=C(/C)\c1nc2cccnc2[nH]1"	0	""	""	1	1	135440010	""
"674101"	"674101"	"2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semica..."	"C\C(=N/NC(=S)NC1CCCCC1)\c2nc3cccnc3[nH]2"	0	""	""	2	2	135440011	""
"674102"	"674102"	"2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone"	"C\C(=N/NC(=S)Nc1ccccc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	135440012	""
"674103"	"674103"	"2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosem..."	"C\C(=N/NC(=S)Nc1ccc(Cl)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	135424828	""
"674105"	"674105"	"2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiose..."	"COc1ccc(NC(=S)N\N=C(/C)\c2nc3cccnc3[nH]2)cc1"	0	""	""	1	1	135440013	""
"674106"	"674106"	"2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone"	"C\C(=N/NC(=S)Nc1ccc(C)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	135440014	""
"674108"	"674108"	"2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicar..."	"C\C(=N/NC(=S)N1CCCC1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	135440015	""
"674118"	"674118"	"2,2,2-Trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide"	"CCCC1(CC(OC)OC2COC(OC12)c3ccccc3)NC(=O)C(F)(F)F"	0	""	""	1	1	384395	""
"674120"	"674120"	"JSICGBRQXBLHDU-UHFFFAOYSA-N"	"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C(=Ic1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	1	1	384396	""
"674127"	"674127"	"Pyrido[2,3-d]pyrimidin-4-one, 6-[11-(4,4-diphenyl- 1-pip..."	"CC1=Nc2nc(C)c(C(=O)CCCCCCCCCCN3CCC(CC3)(c4ccccc4)c5ccccc5)c(c6cccc(c6)[N+](=O)[O-])c2C(=O)N1CCN7CCOCC7"	0	""	""	1	1	384400	""
"674131"	"674131"	"4-(1-isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat"	"CC(C)C(=O)OC(C=C)c1ccc(OC(=O)C(C)C)cc1"	0	""	""	1	1	384403	""
"674176"	"674176"	""	"CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])OCO[C@H](CN=[N+]=[N-])[C@H]1OC(=O)C"	0	NA	NA	1	1	NA	""
"674177"	"674177"	""	"Oc1c2CO[C@H]([C@@H](OCCOCCO[C@H]([C@@H](OCc1cc(c2)[n+]3c(cc(cc3c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9)c%10ccccc%10"	0	NA	NA	2	2	NA	""
"674178"	"674178"	""	"Oc1c2CO[C@H]([C@@H](OCc3cccc(CO[C@H]([C@@H](OCc1cc(c2)[n+]4c(cc(cc4c5ccccc5)c6ccccc6)c7ccccc7)c8ccccc8)c9ccccc9)n3)c%10ccccc%10)c%11ccccc%11"	0	NA	NA	2	2	NA	""
"674182"	"674182"	""	"COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC2OC(CC2O)N3C=C(F)C(=O)NC3=O"	0	NA	NA	2	2	NA	""
"674184"	"674184"	""	"COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O"	0	NA	NA	2	2	NA	""
"674192"	"674192"	"N,N-Dimethylmethanamine;[1-[[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoylboron"	"BC(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(O)C(=O)c2sccc12"	0	""	""	2	1	6331387	""
"674196"	"674196"	"Tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	"CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)C3(C)C=CC(=O)C=C13"	0	""	""	2	2	135450441	""
"674198"	"674198"	"(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate"	"CC(=O)Oc1ccc2c(c1)c3C(=O)OC(=Nc3n2Cc4ccccc4)C"	0	""	""	2	2	384421	""
"674199"	"674199"	"2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	"CN(C)C1=Nc2c([nH]c(C)c2C(=O)O1)c3ccccc3"	0	""	""	1	1	384422	""
"674200"	"674200"	"2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one"	"CC1=Nc2c([nH]c(C)c2C(=O)O1)c3ccccc3"	0	""	""	1	1	384423	""
"674201"	"674201"	"Tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate"	"COCN1C(=C(C(=O)OC(C)(C)C)C2=CC(=O)C=CC12C)N"	0	""	""	1	1	135450442	""
"674203"	"674203"	"[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate"	"COCn1c2N=C(C)OC(=O)c2c3cc(OC(=O)C)ccc13"	0	""	""	1	1	384426	""
"674211"	"674211"	"7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one"	"COCn1c(C)c(C)c2C(=O)OC(=Nc12)C"	0	""	""	1	1	384434	""
"674212"	"674212"	""	"Clc1ccc(cc1)\C(=C/c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	NA	""
"674213"	"674213"	""	"[O-][N+](=O)c1ccc(cc1)\C(=C/c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	NA	""
"674214"	"674214"	""	"Clc1ccc(cc1)\C(=C\c2ccccc2)\Cn3ccnc3"	0	NA	NA	1	1	NA	""
"674215"	"674215"	"5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole"	"COc1cc(Br)cc2nc(oc12)c3cccs3"	0	""	""	2	1	384437	""
"674219"	"674219"	""	"CN1[C@H]2[C@@H](CCC(=C2c3ccccc13)c4ccccc4)C(=O)N5C6C[C@@H]7CC[C@@]6(CS5(=O)=O)C7(C)C"	0	NA	NA	1	1	NA	""
"674220"	"674220"	""	"CC1=C2[C@H]([C@@H](CC1)C(=O)N3C4C[C@@H]5CC[C@@]4(CS3(=O)=O)C5(C)C)N(c6ccccc26)S(=O)(=O)c7ccccc7"	0	NA	NA	1	1	NA	""
"674222"	"674222"	"10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene"	"[O-][N+](=O)c1ccc2c(c1)c3OCCCCn4nc(OCCCCn2n3)c5cc(ccc45)[N+](=O)[O-]"	0	""	""	1	1	384441	""
"674223"	"674223"	""	"CC(C)(C)[C@@H]1NC(=O)CN1C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"674224"	"674224"	""	"CC(C)(C)[C@H]1NC(=O)CN1C(=O)OCc2ccccc2"	0	NA	NA	1	1	NA	""
"674225"	"674225"	"2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine"	"COC(=O)Cc1ccc2N(C)c3cc(CC(=O)OC)ccc3Sc2c1"	0	""	""	2	1	384444	""
"674233"	"674233"	"Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1ccc([nH]1)c2cccs2"	0	""	""	2	1	384453	""
"674256"	"674256"	"STL257911"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccccc3"	0	""	""	2	2	384454	""
"674257"	"674257"	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccc(Cl)cc3"	0	""	""	1	1	384455	""
"674258"	"674258"	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)C"	0	""	""	2	2	384456	""
"674259"	"674259"	"2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone"	"CC(=O)c1nc2ccccc2n1CC(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	384457	""
"674261"	"674261"	"CBMicro_030030"	"O=C(Cn1c(nc2ccccc12)C(=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	384459	""
"674262"	"674262"	"Ethanone, 2-(2-benzoyl-1H-benzimidazol-1-yl)- 1-(4-chlor..."	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	384460	"170031784"
"674263"	"674263"	"2-Phenylpyrido[1,2-a]benzimidazol-4-ol"	"Oc1cc(cn2c3ccccc3nc12)c4ccccc4"	0	""	""	2	2	384461	""
"674264"	"674264"	"2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol"	"Cc1ccc(cc1)c2cc(O)c3nc4ccccc4n3c2"	0	""	""	1	1	384462	""
"674265"	"674265"	"2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol"	"Oc1cc(cn2c3ccccc3nc12)c4ccc(Cl)cc4"	0	""	""	1	1	384463	""
"674268"	"674268"	"1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol"	"Cc1c(cc(O)c2nc3ccccc3n12)c4ccccc4"	0	""	""	1	1	384466	""
"674270"	"674270"	"AJ-131/36477015"	"Cc1nc(cn2c3ccccc3nc12)c4ccccc4"	0	""	""	2	2	384468	""
"674271"	"674271"	"1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole"	"Cc1ccc(cc1)c2cn3c4ccccc4nc3c(C)n2"	0	""	""	2	2	384469	""
"674272"	"674272"	"Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-"	"Cc1nc(cn2c3ccccc3nc12)c4ccc(Cl)cc4"	0	""	""	2	2	384470	""
"674273"	"674273"	"3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)c2cn3c4ccccc4nc3c(C)n2"	0	""	""	2	2	384471	""
"674276"	"674276"	"Pyrazino[1,2-a]benzimidazole, 1,3-diphenyl-"	"c1ccc(cc1)c2cn3c4ccccc4nc3c(n2)c5ccccc5"	0	""	""	2	2	384474	""
"674278"	"674278"	"AJ-131/36477019"	"Clc1ccc(cc1)c2cn3c4ccccc4nc3c(n2)c5ccccc5"	0	""	""	2	1	384476	""
"674282"	"674282"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyc"	"COc1cccc(c1)C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6occc6)OC(=O)C"	0	""	""	2	2	384478	""
"674283"	"674283"	"(2S)-2-[1-[1-[(2S)-2-Hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-he"	"COc1ccc(C[C@@H]2N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)c4cccc(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)C(C)C(=O)C5CCCN5C(=O)[C@H](C)O)[C@@H](C)OC2=O)c4OC)C(C)C)cc1"	0	""	""	1	1	384479	""
"674286"	"674286"	"AP751"	"OC(=O)COc1cc(nc2cc(F)ccc12)c3ccccc3"	0	""	""	1	1	384481	""
"674288"	"674288"	"[(6-Fluoro-2-phenylquinolin-4-yl)oxy]acetic acid"	"OC(=O)COc1cc(nc2ccc(F)cc12)c3ccccc3"	0	""	""	1	1	384483	""
"674312"	"674312"	"Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)..."	"Nc1nn2c(cc(nc2c1[N+](=O)[O-])C(Br)Br)C(Br)Br"	0	""	""	2	2	384486	""
"674316"	"674316"	"3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole"	"ClCc1nn(c(CCl)c1CCl)c2ccccc2"	0	""	""	2	2	384487	""
"674329"	"674329"	"3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5-one"	"CNN1C(=NNC1=O)C"	0	""	""	1	1	384496	""
"674347"	"674347"	"4-(1,1-Dimethylethyl)-1-(1-methylethyl)-{9,10-dihydro-12..."	"COc1c2CN3C(=O)C(=C(C=C3c2nc4ccccc14)C(CC(=O)OC(C)(C)C)C(=O)OC(C)C)CO"	0	""	""	2	2	384499	""
"674350"	"674350"	"3,6-Dimethylthio-dihydrotetrazine"	"CSC1=NN=C(NN1)SC"	0	""	""	1	1	384502	""
"674351"	"674351"	"1,4-Dimethoxy-7-bromo-5H-benzocycloheptene"	"COc1ccc(OC)c2C=CC(=CCc12)Br"	0	""	""	1	1	384503	""
"674352"	"674352"	"3,6-Dimethylthio-1,2,4,5-tetrazine"	"CSc1nnc(SC)nn1"	0	""	""	1	1	384504	""
"674449"	"674449"	"Phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"O=C(Oc1ccccc1)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26"	0	""	""	1	1	5468682	""
"674454"	"674454"	"(Z)-3-iodo-1,2-diphenyl-2-propen-1-one"	"I\C=C(/C(=O)c1ccccc1)\c2ccccc2"	0	""	""	2	2	5468683	""
"674455"	"674455"	"(Z)-1-iodo-2-phenyl-1-penten-3-one"	"CCC(=O)\C(=C/I)\c1ccccc1"	0	""	""	1	1	5468684	""
"674456"	"674456"	"(Z)-4-iodo-3-phenyl-3-buten-2-one"	"CC(=O)\C(=C/I)\c1ccccc1"	0	""	""	1	1	5468685	""
"674469"	"674469"	"1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methylamino]-3-phenylselanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CN(O[Si](C)(C)C(C)(C)C)C1C(CO[Si](C)(C)C(C)(C)C)OC(C1[Se]c2ccccc2)N3C=C(C)C(=O)NC3=O"	0	""	""	1	1	384518	""
"674492"	"674492"	"1-Benzylidene-4-(1-naphthyl)semicarbazide"	"O=C(N\N=C\c1ccccc1)Nc2cccc3ccccc23"	0	""	""	1	1	5899597	""
"674493"	"674493"	"Hydrazinecarboxamide, N-(1-naphthyl)- 2-[(4-nitrophenyl)..."	"[O-][N+](=O)c1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	2	2	5899598	""
"674494"	"674494"	"1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea"	"Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	3704318	""
"674495"	"674495"	"BENZOTHIAZOLE"	"Cc1cc(ccc1N)c2nc3ccccc3s2"	0	""	""	4	4	384525	""
"674496"	"674496"	"benzothiazole, 2-(4-amino-3-iodophenyl)-"	"Nc1ccc(cc1I)c2nc3ccccc3s2"	0	""	""	3	3	384526	""
"674498"	"674498"	"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NCCO)cc2)n1"	0	""	""	1	1	384527	""
"674499"	"674499"	"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCO)cc1"	0	""	""	2	1	384528	""
"674500"	"674500"	"N-(2-Hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCO)cc1"	0	""	""	1	1	384529	""
"674502"	"674502"	"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NC(CO)(CO)CO)cc2)n1"	0	""	""	1	1	384531	""
"674503"	"674503"	"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NC(CO)(CO)CO)cc1"	0	""	""	1	1	384532	""
"674504"	"674504"	"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NC(CO)(CO)CO)cc1"	0	""	""	1	1	384533	""
"674506"	"674506"	"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NCCCN(CCO)CCO)cc2)n1"	0	""	""	1	1	384535	""
"674507"	"674507"	"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide"	"NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NCCCN(CCO)CCO)cc1"	0	""	""	1	1	384536	""
"674508"	"674508"	"N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc5c(cccc35)C(=O)NNCCO)cc2)n1"	0	""	""	1	1	384537	""
"674509"	"674509"	"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine"	"NC(=N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc4c(cccc24)C(=O)NNCCO)cc1"	0	""	""	1	1	384538	""
"674560"	"674560"	"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one"	"O=C1CSC(\C=C\c2ccccc2)N1c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	6283154	""
"674565"	"674565"	"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	384551	""
"674572"	"674572"	"2-(4-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one"	"Clc1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)c4ccc(cc4)N5C(=O)c6ccccc6N=C5c7ccccc7"	0	""	""	1	1	384558	""
"674579"	"674579"	"3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1ccc(cc1OC)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384565	""
"674581"	"674581"	"3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"Clc1cccc(c1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384567	""
"674582"	"674582"	"2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	"[O-][N+](=O)c1cccc(c1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384568	""
"674583"	"674583"	"2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one"	"[O-][N+](=O)c1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384569	""
"674585"	"674585"	"3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1ccccc1C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384571	""
"674586"	"674586"	"3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1cccc(C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6)c1OC"	0	""	""	2	1	384572	""
"674587"	"674587"	"3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"Clc1ccc(cc1)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384573	""
"674588"	"674588"	"3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone"	"COc1cc(ccc1O)C2SCC(=O)N2c3ccc(cc3)N4C(=O)c5ccccc5N=C4c6ccccc6"	0	""	""	1	1	384574	""
"674601"	"674601"	"({2-[(2-Aminoethyl)amino]-2-oxoethyl}{2-[bis(carboxymethyl)amino]cyclohexyl}amino)acetic acid"	"NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O"	0	""	""	1	1	384588	""
"674604"	"674604"	"N,N'-Bis[2-(tritylamino)cyclohexyl]oxamide"	"O=C(NC1CCCCC1NC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)NC5CCCCC5NC(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	384592	""
"674606"	"674606"	"N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine"	"C(CNC1CCCCC1NC(c2ccccc2)(c3ccccc3)c4ccccc4)NC5CCCCC5NC(c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	1	1	384594	""
"674609"	"674609"	"2-(Tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide"	"O=C(CNC(c1ccccc1)(c2ccccc2)c3ccccc3)NC4CCCCC4NC(=O)CNC(c5ccccc5)(c6ccccc6)c7ccccc7"	0	""	""	1	1	384597	""
"674611"	"674611"	"2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran"	"C1CCC(Oc2ccc(cc2)C(=Cc3ccccc3)c4ccc(OC5CCCCO5)cc4)OC1"	0	""	""	2	1	384599	""
"674615"	"674615"	"Methyl 5-(1-chlorooctan-2-yl)-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate"	"CCCCCCC(CCl)c1sc(nc1C(=O)OC)c2csc(CCNC(=O)OC(C)(C)C)n2"	0	""	""	1	1	384603	""
"674618"	"674618"	"4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine"	"COc1ccc(cc1)C2=Nc3cc(C)c(C)cc3NC(C2)c4ccccc4"	0	""	""	1	1	384606	""
"674620"	"674620"	"Concanamycin A"	"CC[C@H]1[C@@H](O)[C@H](C)C\C(=C\C=C\[C@H](OC)[C@H](OC(=O)\C(=C\C(=C\[C@@H](C)[C@H]1O)\C)\OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@H](OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)\C"	0	""	""	2	2	5468688	""
"674621"	"674621"	"Concanamycin C"	"CC[C@H]1[C@@H](O)[C@H](C)C\C(=C\C=C\[C@H](OC)[C@H](OC(=O)\C(=C\C(=C\[C@@H](C)[C@H]1O)\C)\OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@H](OC3CC(O)C(O)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)\C"	0	""	""	2	2	24202503	"81552343"
"674622"	"674622"	"O-methyl-concanamycin B"	"CO[C@H]1\C=C\C=C(/C)\C[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(/OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@]2(CC(OC3CC(O)C(OC(=O)N)C(C)O3)[C@H](C)[C@H](O2)\C=C\C)OC"	0	""	""	2	2	5468689	""
"674623"	"674623"	"[(8Ar)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate"	"C\C=C(\C)/C(=O)OC1CC(C)[C@H]2CC(=O)C(=C2CC1C(C)(C)OC(=O)C)C"	0	""	""	1	1	5468690	""
"674624"	"674624"	"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-"	"C\C(=C\CC[C@](C)(OC1OC(CO)C(O)C(O)C1O)[C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@H](O)[C@@]34C)\CO"	0	""	""	1	1	5468691	""
"674627"	"674627"	"2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]"	"C\C(=C\CC[C@]1(CO)CC[C@]2(CO)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC5OCC(O)C(O)C5OC6OC(CO)C(O)C(O)C6O)C(C)(C)[C@@H]4CC[C@@]23C)[C@H]1O)\CO"	0	""	""	1	1	5468694	""
"674674"	"674674"	"Pectenotoxin 1"	"C[C@H]1C[C@]2(C)CC[C@H](O2)[C@]34CC[C@](CO)(C[C@H](O3)[C@@H]5O[C@@](C)(CC5=O)[C@@H](O)[C@H]6CC[C@@]7(CCC[C@@H](O7)[C@H](C)C(=O)O[C@H]8C[C@@H](O[C@H]8\C=C\C(=C\1)\C)[C@]9(O)OCC[C@H](C)[C@@H]9O)O6)O4"	0	""	""	2	2	5468696	""
"674677"	"674677"	"2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol"	"COc1cccc(c1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	2	2	384634	""
"674678"	"674678"	"1,8-Naphthyridin-4(1H)-one, 2-(3-methoxyphenyl)-7-methyl-"	"COc1cccc(c1)C2=CC(=O)c3ccc(C)nc3N2"	0	""	""	2	2	5468698	""
"674679"	"674679"	"2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"COc1cccc(c1)C2=CC(=O)c3c(C)cc(C)nc3N2"	0	""	""	2	2	5468699	""
"674681"	"674681"	"2-(2-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccccc1C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	1	1	384638	""
"674685"	"674685"	"2-(4-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccc(cc1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	1	1	384642	""
"674686"	"674686"	"2-(4-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one"	"COc1ccc(cc1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	1	1	384643	""
"674699"	"674699"	"9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino- 1-..."	"CN(C)CCNCCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"674701"	"674701"	"Dinaphtho[1,2-b:2',1'-g][1,8]naphthyridine- 7a-carbonitr..."	"N#CC12CC3=C(NC1=NC4=C(CCc5ccccc45)C2)c6ccccc6CC3"	0	""	""	2	2	384656	""
"674704"	"674704"	"1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone"	"CC(=CC(Cc1ccccc1)S(=O)(=O)c2nc3ccccc3s2)C"	0	""	""	2	2	384659	""
"674706"	"674706"	"1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone"	"ClC(CS(=O)(=O)c1nc2ccccc2s1)c3ccccc3"	0	""	""	2	2	384661	""
"674707"	"674707"	""	"O=C1OC[C@@H]2[C@@H]3O[C@H]([C@H]12)C(=O)C4=C3CCC4"	0	NA	NA	1	1	NA	""
"674712"	"674712"	"6-(3,4-Dichlorobenzylidene)-5-oxo-2,4-bis(triphenylphosphonio)cyclohexa-1,3-diene-1,3-diolate"	"OC1=C(C(=O)C(=C(O)C1=Cc2ccc(Cl)c(Cl)c2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	""	""	2	1	384667	""
"674714"	"674714"	""	"COc1ccc(N\N=C\2/CCOc3ccc(C)cc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"674715"	"674715"	""	"Cc1cc2OCC\C(=N/Nc3ccc(F)cc3)\C(=O)c2cc1C"	0	NA	NA	1	1	NA	""
"674720"	"674720"	"5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)CN2C(=O)Oc3ccc(cc23)C(=O)c4ccccc4Cl"	0	""	""	1	1	384675	""
"674721"	"674721"	"5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one"	"Clc1cccc(c1)C(=O)c2ccc3OC(=O)N(CC(=O)c4ccccc4)c3c2"	0	""	""	1	1	384676	""
"674908"	"674908"	"Benzofuran-3-carboxylic acid, 2,3-dihydro- 2-(4-hydroxy-..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	2	2	NA	""
"674909"	"674909"	""	"COc1ccc(cc1OC)C2Oc3c(OC)cc(CCCO)cc3C2CO"	0	NA	NA	1	1	NA	""
"674912"	"674912"	"LS-12647"	"COC(=O)\C=C/1\OC(=CC1=O)c2ccccc2"	0	""	""	2	1	703028	""
"674913"	"674913"	"LS-12493"	"COC(=O)\C=C/1\OC(=C(C)C1=O)c2ccccc2"	0	""	""	1	1	5468708	""
"674915"	"674915"	"(2E)-4-Bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"BrC1=C(O\C(=C\C(=O)c2ccc(Br)cc2)\C1=O)c3ccccc3"	0	""	""	1	1	5468710	""
"674916"	"674916"	"(2Z)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"Clc1ccc(cc1)C(=O)\C=C\2/OC(=CC2=O)c3ccccc3"	0	""	""	1	1	1550413	""
"674917"	"674917"	"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one"	"Cc1ccc(cc1)C2=CC(=O)\C(=C/C(=O)c3ccc(Cl)cc3)\O2"	0	""	""	1	1	5468711	""
"674918"	"674918"	"Methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate"	"COC(=O)\C=C/1\OC(=CC1=O)c2ccc(C)cc2C"	0	""	""	1	1	5468712	""
"674919"	"674919"	"Furan-3(2H)-one, 2-[2-(4-bromophenyl)-2-oxoethylidene]- ..."	"Cc1ccc(C2=CC(=O)\C(=C/C(=O)c3ccc(Br)cc3)\O2)c(C)c1"	0	""	""	3	2	5468713	""
"674920"	"674920"	"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one"	"Clc1ccc(cc1)C(=O)\C=C/2\OC(=CC2=O)c3ccccc3"	0	""	""	1	1	1550412	""
"674930"	"674930"	"(2E,4E,6Z,8E)-N-(4-Methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide"	"COc1ccc(NC(=O)\C=C(/C)\C=C\C=C(\C)/C=C/C2=C(C)CCCC2(C)C)cc1"	0	""	""	1	1	6153376	""
"674934"	"674934"	"4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole"	"COc1cccc(OC)c1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	384698	""
"674935"	"674935"	"4-(1-Adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	1	1	384699	""
"674937"	"674937"	"4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6ccc(Cl)cc6"	0	""	""	1	1	384701	""
"674938"	"674938"	"4-(1-Adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole"	"COc1ccccc1C2ON=C(N2C34CC5CC(CC(C5)C3)C4)c6ccc(cc6)[N+](=O)[O-]"	0	""	""	1	1	384702	""
"674939"	"674939"	"3-[4-(1-Adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=NOC(N2C34CC5CC(CC(C5)C3)C4)c6cccc(c6)C#N"	0	""	""	1	1	384703	""
"674942"	"674942"	"2-[(E)-(3-Oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid"	"OC(=O)c1ccccc1\C=C\2/Cc3cc4CCCc4cc3C2=O"	0	""	""	1	1	5887129	""
"674944"	"674944"	"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one"	"O=C1C(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c14"	0	""	""	1	1	384708	""
"674946"	"674946"	"(2E)-2-(Indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one"	"O=C1\C(=C\c2ccc3CCCc3c2)\Cc4cc5CCCc5cc14"	0	""	""	1	1	5468714	""
"674947"	"674947"	"Ethanone, 2,2-dibromo-1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-"	"BrC(Br)C(=O)c1c2CCCCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc13"	0	""	""	2	2	384711	""
"674951"	"674951"	"Spiro[2H-benz[f]indene-2,2'(5'H)-[s]indacen]-5'-one, 1,1',3,3',5,6,6',7,7',8-decahydro-"	"O=C1CCc2cc3CC4(Cc5cc6CCCCc6cc5C4)Cc3cc12"	0	""	""	1	1	384715	""
"674955"	"674955"	"Spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione"	"O=C1c2ccccc2CC13Cc4ccc5CCCCc5c4C3=O"	0	""	""	1	1	384719	""
"674956"	"674956"	"2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one"	"O=C1C(Cc2ccc3CCCCc3c2)Cc4ccc5CCCCc5c14"	0	""	""	1	1	384720	""
"674957"	"674957"	"Methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate"	"COC(=O)c1c2CC3(Cc4cc5CCCc5c(C(=O)C)c4C3)Cc2cc6C=CCc16"	0	""	""	2	1	384721	""
"674959"	"674959"	"Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccccc2)Cc3cc4CCCc4cc3C1=O"	0	""	""	1	1	384723	""
"674964"	"674964"	"Spiro[s-indacene-2(1H),2'-[2H]indene]-8-carboxylic acid,..."	"OC(=O)c1c2CCCc2cc3CC4(Cc5ccccc5C4=O)Cc13"	0	""	""	2	2	384728	""
"674966"	"674966"	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4cc5CCCc5cc4C1=O"	0	""	""	3	1	384730	""
"674991"	"674991"	""	"[Na+].C[Si](C)(OCCS(=O)(=O)O)C1S(=O)(=O)OCCOS1(=O)=O"	0	NA	NA	1	1	NA	""
"674993"	"674993"	"1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone"	"CC(=O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	384744	""
"674994"	"674994"	"Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid"	"[Na+].OS(=O)(=O)CCCC1S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	54602175	""
"674995"	"674995"	"Methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)CCc1cc(OC)c2O[C@@H]([C@@H](C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	""	""	1	1	384747	""
"674996"	"674996"	""	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	2	2	NA	""
"674998"	"674998"	"Benzofuran-3-carboxylic acid, 2,3-dihydro- 7-methoxy-5-(..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"675000"	"675000"	""	"COC(=O)CCc1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"675002"	"675002"	"Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate"	"COC(=O)CCc1cc(OC)c2oc(c(CO)c2c1)c3ccc(OC)c(OC)c3"	0	""	""	1	1	384749	""
"675003"	"675003"	"Benzofuran-3-carboxylic acid, 2,3-dihydro-7-hydroxy- 2-(..."	"COC(=O)\C=C\c1cc(O)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	""	""	2	2	5468717	"256330140"
"675004"	"675004"	"methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)CCc1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	""	""	2	2	384751	""
"675006"	"675006"	"Methyl (2S,3S)-2-(4-hydroxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate"	"COC(=O)\C=C\c1ccc2O[C@@H]([C@@H](C(=O)OC)c2c1)c3ccc(O)cc3"	0	""	""	1	1	5468718	""
"675010"	"675010"	"Rietone 1"	"COC(=O)Cc1cc(O)c(C\C=C(/C)\CC\C=C(/C)\C(O)C(=O)C=C(C)C)cc1O"	0	""	""	1	1	5468719	""
"675012"	"675012"	"Pyrazino[2,1-b:5,4-b']diisoquinolin-14(13aH)-one, 6-cyan..."	"COc1ccc(OC)c2[C@H](C)N3[C@H](Cc12)C(C#N)N4[C@@H](C)c5c(OC)ccc(OC)c5C[C@@H]4C3=O"	0	""	""	2	2	384758	""
"675186"	"675186"	"N-(4-Chloro-3-((3-Methyl-2-Butenyl)Oxy)Phenyl)-2-Methyl-3-Furancarbothioamide"	"CC(=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl)C"	0	""	""	1	1	3000926	""
"675187"	"675187"	"UC 82"	"CC(=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl)C"	0	""	""	1	1	3000927	""
"675206"	"675206"	"STK377814"	"CCOC(=O)C(NC(=O)CC(C)C)(N1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4)C(F)(F)F"	0	""	""	1	1	384770	""
"675211"	"675211"	"AOCZIGJIXLUOCB-UHFFFAOYSA-N"	"CCOC(=O)C(NC(=O)c1ccccc1)(N2CCN(CC2)c3cc4N(CC)C=C(C(=O)O)C(=O)c4cc3F)C(F)(F)F"	0	""	""	1	1	384775	""
"675212"	"675212"	"7-[4-[3-Ethoxy-2-(ethoxycarbonylamino)-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCOC(=O)NC(N1CCN(CC1)c2cc3N(CC)C=C(C(=O)O)C(=O)c3cc2F)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	384776	""
"675213"	"675213"	"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate"	"CCOC(=O)NC(Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	384777	""
"675214"	"675214"	"KGIPRPGSWXIOOJ-UHFFFAOYSA-N"	"CCOC(=O)NC(Nc1ccc(cc1)S(=O)(=O)Nc2nc(C)cc(C)n2)(C(=O)OCC)C(F)(F)F"	0	""	""	1	1	384778	""
"675215"	"675215"	"4-Cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1C2CC2"	0	""	""	1	1	384779	""
"675220"	"675220"	""	"CC1=NNC(=O)N1\N=C/c2ccccc2"	0	NA	NA	1	1	NA	""
"675223"	"675223"	"1H-1,2,4-Triazole-5(4H)-one, 4-[[(4-nitrophenyl)methylen..."	"[O-][N+](=O)c1ccc(\C=N\N2C(=O)NN=C2c3ccccc3)cc1"	0	""	""	2	2	9571512	""
"675248"	"675248"	"2-(Diiodomethylidene)cyclohexanone"	"IC(=C1CCCCC1=O)I"	0	""	""	1	1	384792	""
"675249"	"675249"	"1-N,4-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(CC2)(CC3)C(=O)Nc4cc(CN(C)C)cc(c4)N(CC)CCCl)c1"	0	""	""	1	1	384793	""
"675250"	"675250"	"3-N,5-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2cc(C(=O)Nc3cc(CN(C)C)cc(c3)N(CC)CCCl)n(C)n2)c1"	0	""	""	1	1	384795	""
"675251"	"675251"	"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)N(CCCl)NN)c1"	0	""	""	1	1	384797	""
"675252"	"675252"	"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(CN(C)C)c3)c1"	0	""	""	1	1	384799	""
"675253"	"675253"	"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(cc2)C(=O)Nc3ccccc3)c1"	0	""	""	1	1	384801	""
"675254"	"675254"	"1-N-[3-[2-Chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride"	"CCN(CCCl)c1cccc(NC(=O)c2ccc(cc2)C(=O)Nc3cccc(CN(C)C)c3)c1"	0	""	""	1	1	384803	""
"675255"	"675255"	"1-N,3-N-Bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride"	"CCN(CCCl)c1ccc(NC(=O)c2cc(cc(c2)C(=O)Nc3ccc(cc3)N(CC)CCCl)C(=O)NCCN(C)C)cc1"	0	""	""	1	1	384805	""
"675256"	"675256"	"N-(2-Chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride"	"CN(CCCl)c1ccc(cc1)c2nc3cc(ccc3[nH]2)c4nc5cc(ccc5[nH]4)N6CCN(C)CC6"	0	""	""	1	1	384807	""
"675257"	"675257"	"N,N-Bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc5[nH]c(CCCc6ccc(cc6)N(CCCl)CCCl)nc5c4"	0	""	""	1	1	384809	""
"675263"	"675263"	""	"C1[C@H]2Cc3c(nnc(c4ccccn4)c3[C@H]2[C@@H]5[C@H]1Cc6c(nnc(c7ccccn7)c56)c8ccccn8)c9ccccn9"	0	NA	NA	1	1	NA	""
"675266"	"675266"	"Cytostatin"	"[Na+].C\C=C\C=C/C=C\C(O)C(C)C(CCC(C)C1OC(=O)C=CC1C)OP(=O)(O)O"	0	""	""	2	2	23675948	""
"675271"	"675271"	"N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide"	"CC(=O)Nc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	2	1	384819	""
"675272"	"675272"	"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate"	"CC(=O)Oc1ccc(cc1)C2SCc3nc4ccccc4n23"	0	""	""	2	1	384820	""
"675278"	"675278"	"5-Hydroxy-7-amino(1,2,3)thiadiazole[5,4-d]pyrimidine"	"Nc1nc(O)nc2snnc12"	0	""	""	2	2	135420622	""
"675353"	"675353"	"2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(O)cc12"	0	""	""	1	1	384835	""
"675362"	"675362"	"[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCCc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	384844	""
"675363"	"675363"	"N-Benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NCc3ccccc3)Oc4cc5OCOc5cc24"	0	""	""	2	2	384845	""
"675364"	"675364"	"1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine"	"COc1cc(cc(OC)c1OC)C2C(C)C(Oc3cc4OCOc4cc23)N5CCNCC5"	0	""	""	2	2	384846	""
"675365"	"675365"	"N-Cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1cc(cc(OC)c1OC)C2C(C)C(NC3CCCCC3)Oc4cc5OCOc5cc24"	0	""	""	2	2	384847	""
"675366"	"675366"	"N-(2-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine"	"COc1ccccc1NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	384848	""
"675367"	"675367"	"4-[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid"	"COc1cc(cc(OC)c1OC)C2C(C)C(Nc3ccc(cc3)C(=O)O)Oc4cc5OCOc5cc24"	0	""	""	2	2	384849	""
"675368"	"675368"	"Ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate"	"CCOC(=O)c1ccc(NC2Oc3cc4OCOc4cc3C(C2C)c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	384850	""
"675369"	"675369"	"8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(ccc1O)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	384851	""
"675370"	"675370"	"[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate"	"COc1cc(ccc1OC(=O)C)C2C3=C(COC3=O)Oc4cc5OCOc5cc24"	0	""	""	2	2	384852	""
"675371"	"675371"	"2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone"	"CC(=O)C1=CC=C/C/1=N\Nc2ccccc2"	0	""	""	1	1	9571513	""
"675462"	"675462"	"6,12-Dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12..."	"OC(=O)C1(O)N2C(=Nc3ccccc13)C(=O)c4ccccc24"	0	""	""	1	1	384866	""
"675474"	"675474"	"Di-o-methylthujaplicatin methyl ether"	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3cc(OC)c(OC)c(OC)c3)cc1OC"	0	NA	NA	2	1	NA	""
"675475"	"675475"	""	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(Br)cc3)cc1OC"	0	NA	NA	2	1	NA	""
"675476"	"675476"	""	"COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3cccc(Br)c3)cc1OC"	0	NA	NA	1	1	NA	""
"675477"	"675477"	"7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one"	"Brc1ccc2[nH]c3C4=Nc5ccccc5C(=O)N4CCc3c2c1"	0	""	""	1	1	384881	""
"675554"	"675554"	"Uvidin A"	"CC1(C)CCC[C@]2(C)[C@@H](CO)[C@@]3(C)O[C@H]3C(=O)C12"	0	""	""	1	1	384882	""
"675562"	"675562"	""	"C[C@@H]1CC(OC(=O)C)C2(COC(=O)C)C(CCC(O)C23CO3)C14CC(OC4=O)c5cocc5"	0	NA	NA	1	1	NA	""
"675564"	"675564"	""	"C[C@@H]1CC(OC(=O)C)[C@]23COC(=O)C1(C[C@H](O)c4cocc4)C2CCC(O)C35CO5"	0	NA	NA	1	1	NA	""
"675574"	"675574"	"6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	"CCN(CC)CCN1C(=O)c2ccccc2n3c1nc4N(C)C(=O)N(C)C(=O)c34"	0	""	""	1	1	384892	""
"675576"	"675576"	"6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione"	"CCN(CC)CCCN1C(=O)c2ccccc2n3c1nc4N(C)C(=O)N(C)C(=O)c34"	0	""	""	1	1	384894	""
"675587"	"675587"	"C12H8N2O2S"	"[O-][N+](=O)c1ccc2Nc3ccccc3Sc2c1"	0	""	""	1	1	3838042	""
"675588"	"675588"	"10-(4-Chlorobutyl)-3-nitrophenothiazine"	"[O-][N+](=O)c1ccc2N(CCCCCl)c3ccccc3Sc2c1"	0	""	""	1	1	384900	""
"675593"	"675593"	"Carbamodithioic acid, dipropyl-, diester with 1,4-pipera..."	"CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(CC2)c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])c1[N+](=O)[O-]"	0	""	""	2	2	384902	""
"675766"	"675766"	"LS-152539"	"O=C1N2N=C(CSC2=Nc3sc(cc13)c4ccccc4)c5ccccc5"	0	""	""	1	1	384942	""
"675769"	"675769"	"12-(4-Methoxyphenyl)-5-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one"	"COc1ccc(cc1)C2=NN3C(=Nc4sc(cc4C3=O)c5ccccc5)SC2"	0	""	""	1	1	384945	""
"675771"	"675771"	"4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid"	"OC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	384947	""
"675772"	"675772"	"Glutamic acid, N-[4-[[6-(trifluoromethyl)-2-quinoxalinyl..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(ccc3n2)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	384948	""
"675774"	"675774"	"3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline"	"COc1cc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	384950	""
"675779"	"675779"	"3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine"	"COc1cc(CNc2nc3ccccc3nc2c4cccs4)cc(OC)c1OC"	0	""	""	1	1	384955	""
"675783"	"675783"	"N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine"	"COc1ccc(CNc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	384959	""
"675799"	"675799"	"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3nc(cs3)C45CC6CC(CC(C6)C4)C5)C(=O)Oc2c1"	0	""	""	1	1	5466102	""
"675801"	"675801"	"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)Nc3nc(cs3)C45CC6CC(CC(C6)C4)C5)C(=O)Oc12"	0	""	""	1	1	384971	""
"675808"	"675808"	"Arboricin"	"CN1C(=O)C(=C(O)c2ccccc12)c3ccccc3"	0	""	""	1	1	54680431	""
"675819"	"675819"	"2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one"	"[O-][N+](=O)c1ccc2N3CCc4ccccc4C=C3C(=O)c2c1"	0	""	""	1	1	384992	""
"675820"	"675820"	"6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one"	"O=C1C2=Cc3ccccc3CCN2c4ccccc14"	0	""	""	2	1	384993	""
"675823"	"675823"	"1-[(2-Chlorophenyl)methyl]-5-nitro-2H-indazol-3-one"	"Oc1nn(Cc2ccccc2Cl)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	384996	""
"675863"	"675863"	"AE-406/40544269"	"CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O"	0	""	""	1	1	385010	""
"675864"	"675864"	"3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one"	"Oc1nnnc2c3cccnc3sc12"	0	""	""	1	1	135489792	""
"675865"	"675865"	"Isothiazolo[4,5-d]pyrimidin-7-amine,3-(.beta.-D-ribofura..."	"Nc1ncnc2c(nsc12)C3OC(CO)C(O)C3O"	0	""	""	3	2	385012	""
"675868"	"675868"	"Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=C(C)NC(=C(C1c2cccc3C(=O)c4ccccc4Oc23)C(=O)OC)CF"	0	""	""	1	1	385014	""
"675880"	"675880"	"Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate"	"CCOC(=O)\C(=C(\N)/N1CCCC1)\C(=S)Nc2ccccc2"	0	""	""	1	1	3005134	""
"675961"	"675961"	"Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester"	"CCOC(=O)CN1Sc2ncc(cc2C1=O)[N+](=O)[O-]"	0	""	""	1	1	385040	""
"675963"	"675963"	"3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxyphenyl)-2-methoxybenzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxyphenyl]-2-methoxybenzoic acid"	"COc1c(cccc1c2cccc(C(=O)NCCN(CCNC(=O)c3cccc(c3OC)c4cccc(C(=O)O)c4OC)CCNC(=O)c5cccc(c5OC)c6cccc(C(=O)O)c6OC)c2OC)C(=O)O"	0	""	""	1	1	385042	""
"675967"	"675967"	"2-Phenyl-12-amino-4H-1-oxa-7-azabenz[a]anthracen-4-one"	"Nc1c2ccccc2nc3ccc4C(=O)C=C(Oc4c13)c5ccccc5"	0	""	""	2	1	385046	""
"675984"	"675984"	"N-(2-Morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide"	"O=C(NCCN1CCOCC1)c2cn3c4C(=O)c5ccccc5Sc4ccc3n2"	0	""	""	1	1	385055	""
"675985"	"675985"	"11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine- 2-c..."	"O=C(NCCN1CCCC1)c2cn3c4C(=O)c5ccccc5Sc4ccc3n2"	0	""	""	2	2	385056	""
"675986"	"675986"	"11H-Benzothiopyrano[2',3':5,6]pyrido[1,2-a]imidazole- 2-..."	"CCN(CC)CCNC(=O)c1cn2c3C(=O)c4ccccc4Sc3ccc2n1"	0	""	""	2	2	385057	"4742692"
"675988"	"675988"	"11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine- 2-c..."	"CN(C)CCCNC(=O)c1cn2c3C(=O)c4ccccc4Sc3ccc2n1"	0	""	""	2	2	385059	""
"675989"	"675989"	"1,3-Dithiolo[3,4-d]pyrimidine-2-thione, 5,7-dichloro-"	"Clc1nc(Cl)c2SC(=S)Sc2n1"	0	""	""	2	2	385060	""
"675992"	"675992"	""	"Oc1ccc([I+]c2ccccc2)cc1O"	0	NA	NA	1	1	NA	""
"675994"	"675994"	"9-methoxypaullone"	"COc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	385068	""
"675995"	"675995"	"9-methylpaullone"	"Cc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	385069	""
"675996"	"675996"	"9-fluoropaullone"	"Fc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	385070	""
"676000"	"676000"	"2-(4-Chloroacetylaminophenyl)benzothiazole"	"ClCC(=O)Nc1ccc(cc1)c2nc3ccccc3s2"	0	""	""	4	2	385071	""
"676002"	"676002"	"Herveline O"	"COc1cc2C[C@@H]3N(C)[C@@H](Cc4c(Oc5cc6[C@@H](Cc7ccc(O)cc7)N(C)CCc6cc5OC)c(OC)c(OC)cc34)c2cc1O"	0	""	""	2	1	5459269	""
"676006"	"676006"	"N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide"	"COCCN(C1CCC(=O)c2[nH]c3ccccc3c12)C(=O)c4ccccc4"	0	""	""	2	1	385077	""
"676007"	"676007"	"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide"	"COC(CN(C1CCC2(SCCS2)c3[nH]c4ccccc4c13)C(=O)C)OC"	0	""	""	1	1	385078	""
"676008"	"676008"	"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide"	"COC(CN(C1CCC2(SCCS2)c3[nH]c4ccccc4c13)C(=O)c5ccccc5)OC"	0	""	""	1	1	385079	""
"676028"	"676028"	"Chromeno[2,3-f]quinolin-7-one"	"O=C1c2ccccc2Oc3c1ccc4ncccc34"	0	""	""	1	1	385093	""
"676029"	"676029"	"12-Methylchromeno[2,3-g]quinolin-11-one"	"Cc1c2C(=O)c3ccccc3Oc2cc4cccnc14"	0	""	""	1	1	385094	""
"676032"	"676032"	"Pyrimido[5,4-g]pteridine-2,4,6,8(1H,3H,7H,9H)-tetrone, 1,9-bis(methoxymethyl)-3,7-dimethyl-, 5-oxide"	"COCN1C(=O)N(C)C(=O)c2c1nc3N(COC)C(=O)N(C)C(=O)c3[n+]2[O-]"	0	""	""	1	1	385097	""
"676033"	"676033"	"6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one"	"ClC1=C(Br)C(=O)Nc2nccn12"	0	""	""	1	1	385098	""
"676143"	"676143"	""	"CN(\N=C/c1ccc2ccccc2c1)C3=NCCN3"	0	NA	NA	1	1	NA	""
"676145"	"676145"	""	"CN(\N=C/c1ccc2ccccc2c1)C3=NCCCCN3"	0	NA	NA	1	1	NA	""
"676146"	"676146"	""	"C1CNC(=N\N=C\c2ccc3ccccc3c2)N1"	0	NA	NA	1	1	NA	""
"676179"	"676179"	"6-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione"	"COc1cc(CCNC2=CC(=O)c3nc[nH]c3C2=O)ccc1O"	0	""	""	1	1	385175	""
"676180"	"676180"	"2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one"	"O=C1C=C(Nc2ncccc12)c3cccc4ccccc34"	0	""	""	2	2	385176	""
"676181"	"676181"	"2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3cccc4ccccc34"	0	""	""	2	2	385177	""
"676183"	"676183"	"2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccc4ccccc34"	0	""	""	2	2	5468780	""
"676184"	"676184"	"2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc4ccccc34"	0	""	""	2	2	5468781	""
"676185"	"676185"	"2-m-Tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	1	1	385181	""
"676186"	"676186"	"5-Methyl-2-(3-methylphenyl)-1,8-naphthyridin-4-ol"	"Cc1cccc(c1)C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	2	2	385182	""
"676187"	"676187"	"6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3cc(C)cnc3N2"	0	""	""	2	2	385183	""
"676188"	"676188"	"7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one"	"Cc1cccc(c1)C2=CC(=O)c3ccc(C)nc3N2"	0	""	""	2	2	5468782	""
"676189"	"676189"	"2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cccc(c1)C2=CC(=O)c3c(C)cc(C)nc3N2"	0	""	""	2	2	5468783	""
"676190"	"676190"	"2-(3-Fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3cccc(F)c3"	0	""	""	2	2	385186	""
"676192"	"676192"	"2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc(F)c3"	0	""	""	2	2	5468785	""
"676193"	"676193"	"2-(2-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol"	"COc1ccccc1C2=CC(=O)c3c(C)ccnc3N2"	0	""	""	1	1	385189	""
"676194"	"676194"	"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glyci..."	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5cc6OCOc6cc15)[C@](CC)(OC(=O)CN)C(=O)OC4"	0	NA	NA	2	2	NA	""
"676312"	"676312"	"ZWYAOVQOEZSEGI-UHFFFAOYSA-N"	"Nc1ncc(Br)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	385198	""
"676313"	"676313"	"(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol"	"Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	385199	""
"676314"	"676314"	"2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile"	"Nc1ncc(C#N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	385200	""
"676315"	"676315"	"(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate"	"CC(=O)OCC1(CNc2nc(N)ncc2C#N)CC(CCc3ccccc3)C1"	0	""	""	1	1	385201	""
"676316"	"676316"	"Cyclobutanemethanol, 1-[[(2,5-diamino-6-pyrimidinyl)amin..."	"Nc1cnc(N)nc1NCC2(CO)CC(CCc3ccccc3)C2"	0	NA	NA	2	2	NA	""
"676317"	"676317"	"2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"Nc1ncc(C=O)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	385204	""
"676318"	"676318"	"[1-[[[2-Amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol"	"Nc1ncc(\C=N\O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	1	1	9571514	""
"676323"	"676323"	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde"	"CC(C)(CO)CNc1nc(N)nc(Cl)c1C=O"	0	""	""	1	1	385210	""
"676324"	"676324"	"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime"	"CC(C)(CO)CNc1nc(N)nc(Cl)c1\C=N\O"	0	""	""	1	1	9571515	""
"676331"	"676331"	"6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine"	"Nc1nc(Cl)cc(NCC2CC(=C)C2)n1"	0	""	""	1	1	385218	""
"676334"	"676334"	"1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol"	"Nc1nc(Cl)c(Cl)c(NCC2(O)CCC2)n1"	0	""	""	1	1	385221	""
"676340"	"676340"	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(C2)OCc3ccccc3)n1"	0	""	""	1	1	385227	""
"676343"	"676343"	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol"	"CC(C)C1CC(CO)(CNc2cc(Cl)nc(N)n2)C1"	0	""	""	1	1	385230	""
"676344"	"676344"	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1"	0	""	""	2	2	385231	""
"676345"	"676345"	"Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)..."	"Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	385232	""
"676346"	"676346"	"Cyclobutanemethanol, 1-[[(2-amino-4-chloro-6-pyrimidinyl..."	"Nc1nc(Cl)cc(NCC2(CO)CC(CCCc3ccccc3)C2)n1"	0	""	""	2	2	385233	""
"676347"	"676347"	"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol"	"CC(O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc3ccccc3)C1"	0	""	""	1	1	385234	""
"676348"	"676348"	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(C2)c3ccccc3)n1"	0	""	""	1	1	385235	""
"676353"	"676353"	"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol"	"Nc1nc(Cl)cc(NCC2(CO)CCC(C2)OCc3ccccc3)n1"	0	""	""	1	1	385240	""
"676356"	"676356"	"(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol"	"Nc1nc(Cl)cc(NCCC2(CO)CCC2)n1"	0	""	""	1	1	385243	""
"676360"	"676360"	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(C2)OCc3ccccc3)n1"	0	""	""	1	1	385247	""
"676362"	"676362"	"Cyclobutanemethanol, 1-[[(2,5-diamino-6-chloro- 4-pyrimi..."	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(Cc3ccccc3)C2)n1"	0	NA	NA	2	2	NA	""
"676363"	"676363"	"Cyclobutanemethanol, 1-[[(2,5-diamino-4-chloro-6-pyrimid..."	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	2	2	NA	""
"676364"	"676364"	"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCCC2)n1"	0	""	""	1	1	385253	""
"676365"	"676365"	"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCC(C2)OCc3ccccc3)n1"	0	""	""	1	1	385254	""
"676366"	"676366"	"2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"Nc1nc(Cl)c(C=O)c(NCC2(CO)CCC2)n1"	0	""	""	1	1	385255	""
"676367"	"676367"	"2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methylamino]pyrimidine-5-carbaldehyde"	"COC1(CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1)OC"	0	""	""	1	1	385256	""
"676368"	"676368"	"5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[[1-(hy..."	"CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1"	0	""	""	2	2	385257	""
"676369"	"676369"	"5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[1-(hyd..."	"Nc1nc(Cl)c(C=O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	2	2	385258	""
"676371"	"676371"	"[2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidin-5-yl]methanol"	"Nc1nc(Cl)c(CO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	""	""	1	1	385260	""
"676372"	"676372"	""	"Nc1nc(Cl)c(\C=N/O)c(NCC2(CO)CCC2)n1"	0	NA	NA	1	1	NA	""
"676373"	"676373"	""	"Nc1nc(Cl)c(\C=N/O)c(NCC2(CO)CC(=O)C2)n1"	0	NA	NA	1	1	NA	""
"676375"	"676375"	"5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[1-(hyd..."	"CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2\C=N/O)C1"	0	NA	NA	2	2	NA	""
"676393"	"676393"	"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol"	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CC3)n1"	0	""	""	1	1	385282	""
"676395"	"676395"	"Cyclobutanemethanol, 1-[[(2-amino-4-chloro-5-[(4-chlorop..."	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	2	NA	""
"676406"	"676406"	"1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-4-diethoxyphosphorylbutan-2-ol"	"CCOP(=O)(CCC(O)CNc1nc(N)nc(Cl)c1N=Nc2ccc(Cl)cc2)OCC"	0	""	""	1	1	385294	""
"676423"	"676423"	"[6-(Aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate"	"CCCCCNC(=O)OC1CCn2c1nc3C(=O)C(=C(C)C(=O)c23)N4CC4"	0	""	""	1	1	385307	""
"676424"	"676424"	"2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6(3h,7h)-dione"	"COc1c2N=C(CCl)N(C)C(=O)c2c(OC)c3C(=O)N(C)C(=Nc13)CCl"	0	""	""	1	1	385308	""
"676425"	"676425"	"(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione"	"CC(=O)NC1=C(C)C(=O)c2c(nc3[C@@H](CCn23)OC(=O)C)C1=O"	0	""	""	2	2	385309	""
"676426"	"676426"	"Naphthalene-2-methanamine, N,N'-(1,6-hexanediyl)bis[6-me..."	"COc1ccc2cc(CNCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	2	2	385310	""
"676427"	"676427"	"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine"	"COc1ccc2cc(CNCCCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	3	2	385312	""
"676428"	"676428"	"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine"	"COc1ccc2cc(CNCCCCCCCCCCCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	2	1	385313	""
"676429"	"676429"	"N-[(6-Methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride"	"COc1ccc2cc(CNCCCN3CCN(CCCNCc4ccc5cc(OC)ccc5c4)CC3)ccc2c1"	0	""	""	2	1	385314	""
"676437"	"676437"	"2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one"	"Clc1ccccc1N2\N=C(/C=C\c3ccccc3C2=O)\c4ccccc4"	0	""	""	1	1	9571516	""
"676439"	"676439"	"Tert-butyl-[[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-(3-methyl-2-phenylsulfanylimidazol-4-yl)methoxy]-dimethylsilane"	"COCOc1c(OC)c(OC)ccc1C(O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C"	0	""	""	1	1	385322	""
"676441"	"676441"	"6,8-Bis(p-dimethylaminobenzyl)-1,4-dihydroxy-benzocycloh..."	"CN(C)c1ccc(CC2=Cc3c(O)ccc(O)c3C=C(Cc4ccc(cc4)N(C)C)C2=O)cc1"	0	""	""	2	2	5466111	"156306842"
"676443"	"676443"	"7-Anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile"	"Nc1nn2c(Nc3ccccc3)c(C#N)c(N)nc2c1N=Nc4ccccc4"	0	""	""	1	1	385326	""
"676447"	"676447"	""	"CCOC(=O)c1[nH]c2cccc3C(=O)[C@H](CCc1c23)NC(=O)C(F)(F)F"	0	NA	NA	1	1	NA	""
"676454"	"676454"	"2-Aza-DL-tyrosine"	"NC(Cc1ccc(O)cn1)C(=O)O"	0	""	""	1	1	122047	""
"676460"	"676460"	"Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate"	"FC(F)(F)C(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc3ccccc3"	0	""	""	1	1	385342	""
"676466"	"676466"	"4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline"	"COc1ccc(N\C=C\C=N\c2ccc(OC)cc2)cc1"	0	""	""	2	1	5907478	""
"676469"	"676469"	"4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline"	"Fc1ccc(N\C=C\C=N\c2ccc(F)cc2)cc1"	0	""	""	2	2	5933697	""
"676473"	"676473"	"5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine"	"Clc1ccc(N\C=C\C=N\c2ccc(Cl)cn2)nc1"	0	""	""	2	2	9556220	""
"676495"	"676495"	""	""	0	NA	NA	2	2	NA	""
"676496"	"676496"	"TP38-279"	""	0	NA	NA	2	2	NA	""
"676497"	"676497"	"TP4EK"	""	0	NA	NA	2	2	NA	""
"676498"	"676498"	"TP4EK-K6"	""	0	NA	NA	2	2	NA	""
"676515"	"676515"	"1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)..."	"CC(C)(C)OC(=O)N1CC(COS(=O)(=O)C)c2ccc(O)cc12"	0	""	""	1	1	147453	""
"676516"	"676516"	"1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indo..."	"CC(C)(C)OC(=O)N1CC(CCl)c2ccc(O)cc12"	0	""	""	1	1	385366	""
"676522"	"676522"	"10H-Phenothiazine, 1,3,4-trifluoro-2-nitro-"	"[O-][N+](=O)c1c(F)c(F)c2Sc3ccccc3Nc2c1F"	0	""	""	2	2	385372	""
"676527"	"676527"	"1',1'-Dichloro-1,2-ethano-o-carborane"	"ClC1(Cl)C[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]9%15%16[BH]26%10[BH]3%15%17[BH]%12%16%18[BH]%13%19%20[BH]7%11%14[BH]48%19[C]15%17%18%20"	0	""	""	1	1	5466115	""
"676528"	"676528"	"1,2-Dichloromethyl-o-carborane"	"ClC[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(CCl)[BH]3%14%17[BH]47%10%15"	0	""	""	1	1	5466116	""
"676529"	"676529"	"1-Bromo-2-bromomethyl-o-carborane"	"BrC[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(Br)[BH]3%14%17[BH]47%10%15"	0	""	""	2	1	5466117	""
"676531"	"676531"	"1-Methyl-2-p-carboxyphenoxymethyl-o-carborane"	"C[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]159[BH]2%14%16[BH]%11%15%17[BH]%12%18%19[BH]6%10%13[BH]37%18[C]4%16%17%19COc%20ccc(cc%20)C(=O)O"	0	""	""	1	1	5466119	""
"676532"	"676532"	"\"Ether-20\""	"OC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]8%14%15[BH]%11%16%17[BH]%12%18%19[BH]59%13[BH]16%18[C]2%16%19(COC[C]%20%21%22%23[BH]%24%25%26[BH]%27%28%29[BH]%30%31%32[BH]%27%33%34[BH]%20%24%28[BH]%21%33%35[BH]%30%34%36[BH]%31%37%38[BH]%25%29%32[BH]%22%26%37[C]%23%35%36%38C(=O)O)[BH]3%14%17[BH]47%10%15"	0	""	""	1	1	5466120	""
"676534"	"676534"	"4-Chloro-5,7-dinitro-2-(2,4,6-trinitrophenyl)quinazoline..."	"[O-][N+](=O)c1cc(c(c2nc(Cl)c3c(cc(cc3[n+]2[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	496006	""
"676536"	"676536"	"2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole"	"Nc1c(cc(c(c2nnc(s2)c3c(cc(c(N)c3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	385374	""
"676553"	"676553"	"N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide"	"CNc1ccc(cc1)S(=O)Nc2ccc(OC)cc2"	0	""	""	1	1	385379	""
"676555"	"676555"	"4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide"	"COc1ccc(NS(=O)c2ccc(OC)cc2)cc1"	0	""	""	1	1	385381	""
"676558"	"676558"	"N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide"	"COc1ccc(NS(=O)c2c(C)cc(C)cc2C)cc1"	0	""	""	1	1	385384	""
"676560"	"676560"	"N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide"	"COc1ccc(NS(=O)CCCc2ccccc2)cc1"	0	""	""	1	1	385386	""
"676563"	"676563"	"ABBYNMLDUKOKRO-UHFFFAOYSA-N"	"COc1ccc(NS(=O)c2ccc(Cl)cc2)cc1"	0	""	""	1	1	385389	""
"676564"	"676564"	"4-(Dimethylamino)-N-phenylbenzenesulfinamide"	"CN(C)c1ccc(cc1)S(=O)Nc2ccccc2"	0	""	""	1	1	385390	""
"676565"	"676565"	"2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide"	"COc1ccc(NS(=O)c2ccccc2OC)cc1"	0	""	""	1	1	385391	""
"676566"	"676566"	"N,2-Diphenylethanesulfinamide"	"O=S(CCc1ccccc1)Nc2ccccc2"	0	""	""	1	1	385392	""
"676568"	"676568"	"N-(4-Methoxyphenyl)-2-phenylethanesulfinamide"	"COc1ccc(NS(=O)CCc2ccccc2)cc1"	0	""	""	1	1	385394	""
"676569"	"676569"	"N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide"	"COc1ccc(NS(=O)c2cccc(C)c2)cc1"	0	""	""	1	1	385395	""
"676570"	"676570"	"N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide"	"COc1ccc(NS(=O)c2ccc(cc2)c3ccccc3)cc1"	0	""	""	1	1	385396	""
"676572"	"676572"	"2-Phenoxy-N-phenylbenzenesulfinamide"	"O=S(Nc1ccccc1)c2ccccc2Oc3ccccc3"	0	""	""	1	1	385398	""
"676577"	"676577"	"STL525987"	"COC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	""	""	1	1	385402	""
"676578"	"676578"	""	"COC(=O)[C@@H]1C[C@@]2(Br)[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"676579"	"676579"	""	"COC(=O)[C@@H]1C[C@@]2(CC=C)[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"676581"	"676581"	""	"COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)[C@@H](N1C(=O)OC)N(c3ccccc23)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"676591"	"676591"	"[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(C(=O)CC(C)(C)C3)C(=C(C#N)C2=S)c4ccc(Cl)cc4"	0	""	""	2	2	385412	""
"676597"	"676597"	"4-(Furan-2-yl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"OCC1OC(C(O)C(O)C1O)N2C(=C(C#N)C(C=C2c3ccccc3)c4occc4)S"	0	""	""	1	1	385417	""
"676599"	"676599"	"4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"OCC1OC(C(O)C(O)C1O)N2C(=C(C#N)C(C=C2c3ccccc3)c4ccccc4)S"	0	""	""	1	1	385419	""
"676600"	"676600"	"[3,4,5-Triacetyloxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(C=C2c3ccccc3)c4ccccc4)S"	0	""	""	2	2	385420	""
"676603"	"676603"	"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C(C(=C2S)C#N)c3ccc(Cl)cc3)C(=O)C)C"	0	""	""	1	1	385423	""
"676607"	"676607"	"5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile"	"COc1ccc(cc1)C2C(=C(S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)C)c4ccccc4)C#N"	0	""	""	1	1	385427	""
"676613"	"676613"	"[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C3=C(CCCCCC3)C=C(C#N)C2=S"	0	""	""	1	1	385433	""
"676617"	"676617"	""	"OCC1OC(C(O)C(O)C1O)N2C3=C(CCCC3)C=C(C#N)C2=S"	0	NA	NA	1	1	NA	""
"676676"	"676676"	"ARQ monoacetate"	"CC(=O)OC1=C(C(=O)C(=C(C1=O)c2cn(c3ccccc23)C(C)(C)C=C)O)c4cn(c5ccccc45)C(C)(C)C=C"	0	""	""	1	1	385441	""
"676693"	"676693"	"8H-Thieno[2,3-b]pyrrolizin-8-one, 3-(4-methoxyphenyl)- (..."	"COc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	3	2	385455	"156274190"
"676694"	"676694"	"3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine"	"C1CCN(C1)C2c3cccn3c4c(csc24)c5ccccc5"	0	""	""	1	1	385456	""
"676705"	"676705"	"(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester"	"COC(=O)[C@@H]1CN(C(=O)C)C(=O)N1"	0	""	""	1	1	385474	""
"676706"	"676706"	""	"COC(=O)[C@@H]1CN(C(=O)c2ccccc2)C(=O)N1"	0	NA	NA	1	1	NA	""
"676735"	"676735"	"Carbanide;palladium;1,10-phenanthroline"	"[CH3-][Pd+2]1([CH3-])[n+]2cccc3ccc4ccc[n+]1c4c23"	0	""	""	1	1	438840	""
"676742"	"676742"	"N-[Diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline"	"CCOP(=O)(OCC)C(Nc1cccc(c1)[N+](=O)[O-])c2ccccc2"	0	""	""	1	1	385493	""
"676748"	"676748"	"2-Diethoxyphosphoryl-N-methyl-butan-2-amine"	"CCOP(=O)(OCC)C(C)(CC)NC"	0	""	""	1	1	385499	""
"676761"	"676761"	""	"CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)\C(=N\C1=NC(N=C(O1)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)\N"	0	NA	NA	1	1	NA	""
"676767"	"676767"	"1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone"	"CCCCCC1=Cc2cc3CCCC4(C(=O)c5c(O)c6C(=O)C=C(OC)C(=O)c6c(O)c5C4=O)c3c(O)c2C(=O)N1"	0	""	""	1	1	135489796	""
"676769"	"676769"	"1',3',9-Trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone"	"CCCCCC1=Cc2cc3CCC4(C(=O)c5c(O)c6C(=O)C=C(OC)C(=O)c6c(O)c5C4=O)c3c(O)c2C(=O)N1"	0	""	""	1	1	135489797	""
"676770"	"676770"	"(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	""	""	1	1	385519	""
"676772"	"676772"	"Olean-12-en-28-oic acid, 3-.beta.-[2-O-(.beta.-D-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(O)C%10O"	0	""	""	2	2	385521	""
"676773"	"676773"	"Olean-12-en-28-oic acid, 3-.beta.-[2-O-(.beta.-D-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O"	0	NA	NA	2	2	NA	""
"676774"	"676774"	"Olean-12-en-28-oic acid, 3-.beta.-[2-O-(.beta.-D-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(O)C1OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O"	0	NA	NA	2	2	NA	""
"676775"	"676775"	"Olean-12-en-28-oic acid, 3-.beta.-[2-O-(.beta.-D-glucopy..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	""	""	2	2	385523	""
"676776"	"676776"	"Olean-12-en-28-oic acid, 3-.beta.-[3-O-(.beta.-L-arabino..."	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(OC9OCC(O)C(O)C9O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	NA	NA	2	2	NA	""
"676777"	"676777"	"Olean-12-en-28-oic acid, 3-.beta.-[3-O-(.beta.-L-arabino..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(OC%11OCC(O)C(O)C%11O)C8O)C2(C)C)C(O)C(OC%12OCC(O)C(O)C%12O)C1O"	0	NA	NA	2	2	NA	""
"676778"	"676778"	""	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(OC9OCC(O)C(O)C9O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)CC4)C(O)C(OC%10OCC(O)C(O)C%10O)C1OC%11OCC(O)C(OC%12OCC(O)C(O)C%12O)C%11O"	0	NA	NA	1	1	NA	""
"676779"	"676779"	"Olean-12-en-28-oic acid, 3-.beta.-[3-O-(.beta.-L-arabino..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(OC%11OCC(O)C(O)C%11O)C8O)C2(C)C)C(O)C(OC%12OCC(O)C(O)C%12O)C1O"	0	NA	NA	2	2	NA	""
"676783"	"676783"	""	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	1	1	NA	""
"676788"	"676788"	"Olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-D-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	2	2	NA	""
"676790"	"676790"	"Olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-D-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(OC%10OCC(O)C(O)C%10O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	""	""	2	2	385534	""
"676791"	"676791"	""	"CC1OC(OC2C(O)C(O)COC2OC(=O)[C@]34CCC(C)(C)C[C@H]3C5=CC[C@@H]6[C@@]7(C)CC[C@H](OC8OC(C(O)C(O)C8O)C(=O)O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]5(C)C[C@H]4O)C(O)C(O)C1OC9OCC(O)C(O)C9O"	0	NA	NA	1	1	NA	""
"676792"	"676792"	"Olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-D-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(O)C8O)C2(C)C)C(O)C(O)C1O"	0	NA	NA	2	2	NA	""
"676794"	"676794"	"Olean-12-en-28-oic acid, 3-.beta.-(6-methyl-.beta.-D-glu..."	"COC(=O)C1OC(O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)CC[C@@]6([C@H](O)C[C@@]45C)C(=O)OC7OCC(O)C(O)C7OC8OC(C)C(OC9OCC(O)C(O)C9O)C(OC%10OCC(O)(CO)C%10O)C8O)C2(C)C)C(O)C(O)C1O"	0	""	""	2	1	385536	""
"676807"	"676807"	"Anti-human Fas, monoclonal"	""	0	NA	NA	1	1	NA	""
"676810"	"676810"	"Spiro[18-norandrostane-17,2'(3'H)-furan]-3,7-diol, 3-O-a..."	"COC(C)(C)[C@@H](O)[C@H]1C[C@H](C)[C@@]2(CC[C@]3(C)[C@@H]2CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C)O1"	0	""	""	2	1	6712364	""
"676812"	"676812"	"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tri"	"C[C@@H](C[C@@H](O)[C@H](O)C(=C)C)C1CC[C@]2(C)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](OC(=O)C)C(C)(C)[C@@H]4C[C@@H](OC5OC(COC(=O)C)C(O)C(O)C5O)[C@@]23C"	0	""	""	2	1	385544	""
"676816"	"676816"	"(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-Hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanth"	"C[C@@H](C[C@H]1OC(C)(C)O[C@@H]1C(C)(C)O)[C@H]2CC=C3[C@@]2(C)CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5C[C@@H](O)[C@@]34C"	0	""	""	3	1	385548	""
"676817"	"676817"	"(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta"	"OCC(O)C(O)C(O)C(O)[C@@H]1C2OC(=O)c3c1c(O)c(O)c(O)c3c4c(O)c(O)c(O)c5c4C(=O)OC2C6OC(=O)c7cc(O)c(O)c(O)c7c8c(O)c(O)c(O)cc8C(=O)OCC6OC(=O)c9cc(O)c(O)c(O)c59"	0	""	""	1	1	385549	""
"676821"	"676821"	"10-[(19R)-2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptac"	"OC1COC(=O)c2cc(O)c(O)c(O)c2c3c(O)c(O)c4OC(=O)c5c(c(O)c(O)c6OC(=O)c3c4c56)c7c(O)c(O)c(O)cc7C(=O)OC1C8OC(=O)c9cc(O)c(O)c(O)c9c%10c(O)c(O)c(O)c%11[C@@H](O)C8OC(=O)c%10%11"	0	""	""	1	1	16133881	""
"676825"	"676825"	"HSDB 8106"	"OC1COC(=O)c2cc(O)c(O)c(O)c2c3c(O)c(O)c4OC(=O)c5c(c(O)c(O)c6OC(=O)c3c4c56)c7c(O)c(O)c(O)cc7C(=O)OC1C8OC(=O)c9cc(O)c(O)c(O)c9c%10c(O)c(O)c(O)cc%10C(=O)OC8C=O"	0	""	""	1	1	16129719	""
"676827"	"676827"	"[(1'R,3S,3As,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.13"	"O[C@H]1CO[C@@]2(O)[C@H]1OC(=O)C23O[C@]4(O)C(=O)C[C@@]35C6c7c(OC46O)c(O)c(O)cc7C(=O)OC8C(OC(=O)c9cc(O)c(O)c(O)c9)OC%10COC(=O)c%11cc(O)c(O)c(O)c%11c%12c(O)c(O)c(O)cc%12C(=O)OC8C%10OC5=O"	0	""	""	1	1	385555	""
"676830"	"676830"	"[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7c8c(O)c(O)c(O)cc8C(=O)OC[C@]6(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OC9OC(CO)C(O)C(O)C9O"	0	""	""	2	1	5468818	""
"676857"	"676857"	"1H-[1,2,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"COC(=O)[C@@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)N(C3=O)c4ccccc4"	0	NA	NA	2	2	NA	""
"676858"	"676858"	""	"COC(=O)[C@@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)c4ccccc4C3=O"	0	NA	NA	1	1	NA	""
"676859"	"676859"	"(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate"	"CC(Br)C(=O)N=N1=C2C(=Nc3ccccc13)c4cccc5cccc2c45"	0	""	""	1	1	9571521	""
"676863"	"676863"	"Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium"	"c1ccc(cc1)C2C(P=PC2=P(c3ccccc3)(c4ccccc4)c5ccccc5)[P+](c6ccccc6)(c7ccccc7)c8ccccc8.c9cc[c-](cc9)[B+3]([c-]%10ccccc%10)([c-]%11ccccc%11)[c-]%12ccccc%12"	0	""	""	3	2	11979921	""
"676864"	"676864"	"Neuro_000413"	"[Se]=P(c1ccccc1)(c2ccccc2)c3ccc(cc3)C(=P(c4ccccc4)(c5ccccc5)c6ccccc6)c7ccccc7"	0	""	""	4	2	385573	""
"676866"	"676866"	""	"CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OC\C=C\c6ccccc6)c5OC\C=C\c7ccccc7)C(OC\C=C\c8ccccc8)(OC\C=C\c9ccccc9)C#N)c4OC\C=C\c%10ccccc%10)C(C)(C)C)c3OC\C=C/c%11ccccc%11)C(OC\C=C\c%12ccccc%12)(OC\C=C\c%13ccccc%13)C#N"	0	NA	NA	1	1	NA	""
"676870"	"676870"	"(2E)-1-(Benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one"	"[O-][N+](=O)c1ccc(\C=C/2\N(c3ncccc3C2=O)S(=O)(=O)c4ccccc4)cc1"	0	""	""	1	1	5468824	""
"676871"	"676871"	"LS-100064"	"NC1=NCC(CN2CCCCC2)O1"	0	""	""	1	1	385578	""
"676882"	"676882"	"4-Tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol"	"CC(C)(C)c1ccc(O)c(c1)C(O)c2ccccn2"	0	""	""	1	1	385585	""
"676883"	"676883"	"4-Tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol"	"CC(C)(C)c1ccc(O)c(c1)C(O)c2cccnc2"	0	""	""	1	1	385586	""
"676889"	"676889"	"2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol"	"Cc1cc(O)c(cc1O)C(O)c2ccccn2"	0	""	""	1	1	385592	""
"676897"	"676897"	"2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one"	"CC(C)(C)c1ccc(cc1)C2=Nc3ccc(Cl)cc3C(=O)O2"	0	""	""	1	1	385600	""
"676899"	"676899"	"2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one"	"COc1cccc2C(=O)OC(=Nc12)c3ccc(cc3)C(C)(C)C"	0	""	""	1	1	385602	""
"676914"	"676914"	"2-(4-((4-amino-2-methylphenyl)diazenyl)phenylsulfonyl)et..."	"Cc1cc(N)ccc1N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O"	0	NA	NA	2	2	NA	""
"676916"	"676916"	"1-[m-methyl anilino malonyl]-3-methyl-4-[4'-.beta.-sulph..."	"CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O"	0	""	""	2	2	385611	""
"676917"	"676917"	"1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-.beta.-sul..."	"COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)O)C2=O)c1"	0	""	""	1	1	385612	""
"676944"	"676944"	"J-400634"	"CSc1cc(nc(c1)c2ccccn2)c3ccccn3"	0	""	""	2	2	385621	""
"676961"	"676961"	""	"CN1CCN(CCCCN2c3ccccc3Sc4cc(ccc24)N=[N+]=[N-])CC1"	0	NA	NA	2	1	NA	""
"676963"	"676963"	"3-Azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)..."	"[N-]=[N+]=Nc1ccc2N(CCCCN3CCN(Cc4ccc(cc4)C(=O)c5ccccc5)CC3)c6ccccc6Sc2c1"	0	""	""	2	2	5351430	""
"676966"	"676966"	"5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)c2cccs2"	0	""	""	1	1	385626	""
"676967"	"676967"	"Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate"	"COC(=O)c1cccc(OC)c1C#Cc2c(OC)cccc2OC"	0	""	""	1	1	385627	""
"676974"	"676974"	"6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine"	"Nc1nc(N)c2cc(cnc2n1)c3ccccc3"	0	""	""	1	1	385628	""
"676982"	"676982"	"5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid"	"OC(=O)C(Cc1ccccc1)Cc2ccc3CCCc3c2C(=O)O"	0	""	""	1	1	385635	""
"676986"	"676986"	"2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid"	"Cc1cccc(CC(Cc2c(C)cccc2C(=O)O)C(=O)O)c1"	0	""	""	1	1	385639	""
"676987"	"676987"	"Methyl 2-[3-methoxy-2-(4-methylbenzyl)-3-oxopropyl]-5-methylbenzoate"	"COC(=O)C(Cc1ccc(C)cc1)Cc2ccc(C)cc2C(=O)OC"	0	""	""	2	2	385640	""
"676988"	"676988"	"Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate"	"COC(=O)C(Cc1ccccc1C)Cc2ccc(C)cc2C(=O)OC"	0	""	""	1	1	385641	""
"676989"	"676989"	"Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate"	"COC(=O)C(Cc1cccc(C)c1)Cc2ccc(C)cc2C(=O)OC"	0	""	""	1	1	385642	""
"676996"	"676996"	"7-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid"	"OC(=O)C(Cc1ccc2CCCCc2c1)Cc3cc4CCCCc4cc3C(=O)O"	0	""	""	1	1	385650	""
"676998"	"676998"	"6-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylic acid"	"OC(=O)C(Cc1ccc2CCCCc2c1)Cc3ccc4CCCCc4c3C(=O)O"	0	""	""	1	1	385652	""
"676999"	"676999"	"Methyl 6-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylate"	"COC(=O)C(Cc1ccc2CCCCc2c1)Cc3ccc4CCCCc4c3C(=O)OC"	0	""	""	1	1	385653	""
"677002"	"677002"	"Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate"	"COC(=O)c1ccccc1CC2Cc3ccc4CCCc4c3C2"	0	""	""	1	1	385656	""
"677003"	"677003"	"4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one"	"CC(=O)c1cccc2CC3(Cc4ccc5CCCc5c4C3=O)Cc12"	0	""	""	1	1	385657	""
"677004"	"677004"	"Spiro[as-indacene-2(1H),2'(1'H)-[s]indacen]-1-one, 4'-acetyl-3,3',5',6,6',7,7',8-octahydro-"	"CC(=O)c1c2CCCc2cc3CC4(Cc5ccc6CCCc6c5C4=O)Cc13"	0	""	""	1	1	385658	""
"677005"	"677005"	"2,2'-Spirobiindanon"	"O=C1c2ccccc2CC13Cc4ccccc4C3"	0	""	""	1	1	385659	""
"677006"	"677006"	"Spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one"	"O=C1c2ccccc2CC13Cc4ccc5CCCc5c4C3"	0	""	""	1	1	385660	""
"677010"	"677010"	"Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate"	"COC(=O)C1Cc2cc3CCCc3cc2C1"	0	""	""	1	1	385664	""
"677011"	"677011"	""	"O\N=C\1/CCc2cc3CCCc3cc12"	0	NA	NA	1	1	NA	""
"677016"	"677016"	"as-Indacene-2-carboxylic acid, 1,2,3,6,7,8-hexahydro- 2-..."	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1=O"	0	""	""	2	2	385670	""
"677017"	"677017"	"Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate"	"COC(=O)C1(Cc2ccc(C)cc2)Cc3c(C)cccc3C1=O"	0	""	""	1	1	385671	""
"677020"	"677020"	"Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inde..."	"COC(=O)c1ccc(C)cc1C2CN=NC23Cc4cc(C)ccc4C3=O"	0	""	""	2	2	385674	""
"677026"	"677026"	"Methyl 2-(6-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4cc(C)ccc4C3=O"	0	""	""	1	1	385680	""
"677028"	"677028"	"Methyl 4-methyl-2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccc(C)cc1C2CN=NC23Cc4c(C)cccc4C3=O"	0	""	""	2	1	385682	""
"677033"	"677033"	"methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4c5CCCc5ccc4C3=O"	0	""	""	1	1	385687	""
"677041"	"677041"	"Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate"	"COC(=O)c1ccc(C)cc1CC2Cc3ccc(C)cc3C2=O"	0	""	""	1	1	385695	""
"677043"	"677043"	"Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate"	"COC(=O)c1ccc(C)cc1CC2Cc3cccc(C)c3C2=O"	0	""	""	1	1	385697	""
"677050"	"677050"	"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1O"	0	""	""	1	1	385704	""
"677051"	"677051"	"Methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate"	"COC(=O)C1(Cc2ccc3CCCc3c2)Cc4ccc5CCCc5c4C1"	0	""	""	1	1	385705	""
"677053"	"677053"	"Spiro[s-indacene-2(1H),2'-[2H]indene]-1-ol, 3,5,6,7,1',3..."	"OCc1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3O"	0	""	""	2	2	385707	""
"677055"	"677055"	"Methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1c(C)cccc1\C=C/2\Cc3c(C)cccc3C2=O"	0	""	""	1	1	6477493	""
"677058"	"677058"	"Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-ylmethanol"	"OCc1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3"	0	""	""	2	2	385712	""
"677065"	"677065"	"Spiro[as-indacene-2(1H),2'(1'H)-s-indacene]- 4'-carboxyl..."	"COC(=O)c1c2CCCc2cc3CC4(Cc5ccc6CCCc6c5C4=O)Cc13"	0	""	""	2	1	385719	""
"677066"	"677066"	"Spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde"	"O=Cc1ccc2CC3(Cc4ccc5CCCc5c4C3)Cc2c1"	0	""	""	2	2	385720	""
"677072"	"677072"	"Methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate"	"COC(=O)c1ccc2CC3(Cc4ccc5CCCc5c4C3)Cc2c1"	0	""	""	1	1	385725	""
"677074"	"677074"	"6,7'-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4cccc(C)c4C3=O)C(=O)c2c1"	0	""	""	1	1	385727	""
"677076"	"677076"	"6-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4ccccc4C3=O)C(=O)c2c1"	0	""	""	1	1	385729	""
"677083"	"677083"	"Okadaic acid"	"C[C@@H](CC(O)C1O[C@@H]2CCC3(CCC(O3)\C=C\[C@@H](C)C4CC(=CC5(O[C@H](C[C@](C)(O)C(=O)O)CCC5O)O4)C)OC2[C@H](O)C1=C)C6O[C@@]7(CCCCO7)CCC6C"	0	"Pase"	"Clinical trial"	3	3	5468826	"78111178"
"677088"	"677088"	"IL4(38-37)-PE38 toxin"	""	0	NA	NA	2	2	NA	""
"677089"	"677089"	"N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	"COc1cc(CNc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	385738	""
"677091"	"677091"	"N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine"	"Cc1nc2ccc(cc2nc1NCc3ccc(Cl)c(Cl)c3)C(F)(F)F"	0	""	""	1	1	385740	""
"677095"	"677095"	"Ethyl 4-{[3-(thiophen-2-yl)quinoxalin-2-yl]amino}benzoate"	"CCOC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	385744	""
"677167"	"677167"	"9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine"	"CN1c2ccccc2C(=NNc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccccc14"	0	""	""	1	1	385773	""
"677169"	"677169"	"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine"	"NC(=N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	385775	""
"677171"	"677171"	"N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4C(=O)c5ccccc5Nc34)cc2)n1"	0	""	""	1	1	385777	""
"677174"	"677174"	"N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide"	"NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4c(cccc24)C(=O)Nc5ccc(cc5)S(=O)(=O)N)cc1"	0	""	""	1	1	385780	""
"677175"	"677175"	"9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc5c(cccc35)C(=O)Nc6ccc(cc6)S(=O)(=O)N)cc2)n1"	0	""	""	1	1	385781	""
"677181"	"677181"	"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]acridine-4-carboxamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc5c(cccc35)C(=O)Nc6ccc(cc6)S(=O)(=O)NC(=N)N)cc2)n1"	0	""	""	1	1	385787	""
"677184"	"677184"	"9-[2-[4-(Carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide"	"NC(=N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc4c(cccc24)C(=O)Nc5ccc(cc5)S(=O)(=O)N)cc1"	0	""	""	1	1	385790	""
"677206"	"677206"	""	"CC1=NN2C(=NC(=O)\C(=C/c3ccccc3)\C2=N)S1"	0	NA	NA	2	2	NA	""
"677208"	"677208"	"STK018642"	"CC1=NN2C(=NC(=O)\C(=C/c3occc3)\C2=N)S1"	0	""	""	1	1	5468829	""
"677235"	"677235"	""	"O[C@]12O[C@@]3(C[N+](=O)[O-])C4C5CC(C6C5C3C16)C24"	0	NA	NA	1	1	NA	""
"677236"	"677236"	"2,6,3,5-Ethanediylidenepentaleno[1,6-bc]pyrrole- 2,6a(1H..."	"C(N[C@]12C3C4CC5C6C4C1C6[C@@](NCc7ccccc7)(C35)N2Cc8ccccc8)c9ccccc9"	0	""	""	1	1	385839	"174078127"
"677239"	"677239"	"Dianisylideneacetone"	"COc1ccc(\C=C\C(=O)\C=C\c2ccc(OC)cc2)cc1"	0	""	""	1	1	715840	""
"677240"	"677240"	"Go-Y103"	"COc1ccc(\C=C\C(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	1352182	""
"677244"	"677244"	""	"Cc1ccc(cc1)[C@H]2CC(=O)C[C@H](c3ccc(C)cc3)C24C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	NA	""
"677245"	"677245"	""	"COc1ccc(cc1)[C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C24C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	NA	""
"677249"	"677249"	""	"OC1[C@H]2[C@H]([C@H](c3ccccc3)C4(Cc5ccccc5C4O)[C@@H]2c6ccccc6)c7ccccc17"	0	NA	NA	2	1	NA	""
"677252"	"677252"	"2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-"	"Cc1cc(C)cc(NC2=CC(=O)NC(=O)N2)c1"	0	""	""	1	1	385853	""
"677256"	"677256"	"6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol"	"Cc1ccc(cc1C)N=NC2=CC(=O)NC(=O)N2"	0	""	""	1	1	385857	""
"677257"	"677257"	"6-[2-(2-naphthyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol"	"O=C1NC(=S)NC(=C1)NNc2ccc3ccccc3c2"	0	""	""	1	1	3005144	""
"677258"	"677258"	"6-[2-(3-fluorophenyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol"	"Fc1cccc(NNC2=CC(=O)NC(=S)N2)c1"	0	""	""	1	1	3005145	""
"677260"	"677260"	"2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol"	"O=C1NC(=S)NC(=C1)NNc2ccccc2"	0	""	""	1	1	3005146	""
"677261"	"677261"	"6-[(E)-(4-bromophenyl)azo]-2-sulfanyl-pyrimidin-4-ol"	"Brc1ccc(cc1)N=NC2=CC(=O)NC(=S)N2"	0	""	""	1	1	3005147	""
"677266"	"677266"	"N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide"	"CN1C(=O)NC(=CC1=O)NNc2ccc(NC(=O)C)cc2"	0	""	""	1	1	385867	""
"677268"	"677268"	"6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=CC1=O)NNc2ccc(Br)cc2"	0	""	""	1	1	385869	""
"677269"	"677269"	"6-(2-Benzylhydrazino)-2,4-pyrimidinediol"	"O=C1NC(=O)C=C(NNCc2ccccc2)N1"	0	""	""	1	1	385870	""
"677271"	"677271"	"6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=CC1=O)NNc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	385871	""
"677272"	"677272"	"CBMicro_012158"	"CN1C(=O)NC(=CC1=O)NCCc2ccccc2"	0	""	""	1	1	385872	""
"677274"	"677274"	"Uracil, 3-methyl-6-(phenylhydrazino)-"	"CN1C(=O)NC(=CC1=O)NNc2ccccc2"	0	""	""	1	1	385874	""
"677275"	"677275"	"1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione"	"CN1C(=O)NC(=O)C=C1NNc2ccccc2"	0	""	""	1	1	385875	""
"677276"	"677276"	"6-(1-Methylhydrazino)uracil"	"CN(N)C1=CC(=O)NC(=O)N1"	0	""	""	1	1	385876	""
"677277"	"677277"	"6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol"	"O=C1NC(=CC(=O)N1)NNc2cccc3ccccc23"	0	""	""	1	1	385877	""
"677278"	"677278"	"6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol"	"Fc1ccccc1NNC2=CC(=O)NC(=O)N2"	0	""	""	1	1	385878	""
"677279"	"677279"	"6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol"	"Clc1cccc(NNC2=CC(=O)NC(=O)N2)c1"	0	""	""	1	1	385879	""
"677281"	"677281"	"2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-"	"Cc1ccc(NNC2=CC(=O)NC(=O)N2)cc1Cl"	0	""	""	1	1	385881	""
"677282"	"677282"	"6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol"	"CS(=O)(=O)c1ccc(NNC2=CC(=O)NC(=O)N2)cc1"	0	""	""	1	1	385882	""
"677296"	"677296"	"4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one"	"CC1(C)CCCC2CC2CCC(C)(C)C1=O"	0	""	""	1	1	385895	""
"677299"	"677299"	"7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one"	"CC1(C)CCCCCCC2CC2CCCCCC(C)(C)C1=O"	0	""	""	1	1	385898	""
"677303"	"677303"	"2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone"	"CC1(C)CCCCCCCCCC(C)(CCCCCCCCCCCCO)C1=O"	0	""	""	1	1	385902	""
"677305"	"677305"	"2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone"	"CC1(C)CCCCCC(C)(CCCCCCCCCCCO)C1=O"	0	""	""	1	1	385904	""
"677369"	"677369"	"7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one"	"Fc1ccc2C(=O)C(=COc2c1)SSC3=COc4cc(F)ccc4C3=O"	0	""	""	1	1	385907	""
"677371"	"677371"	"(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	"OC(=O)Cc1cccc2C(=O)C(Cl)(C(Oc12)c3ccccc3)C(=O)c4ccccc4"	0	""	""	1	1	385909	""
"677372"	"677372"	"(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid"	"OC(=O)Cc1cccc2C(=O)C(C(Oc12)c3ccccc3)C(=O)c4ccccc4"	0	""	""	1	1	385910	""
"677374"	"677374"	"N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide"	"NNC(=O)CC(=O)Nc1cccc(Cl)c1"	0	""	""	1	1	385912	""
"677384"	"677384"	"N,N'-Bis(4-acetamidophenyl)propanediamide"	"CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(NC(=O)C)cc2)cc1"	0	""	""	1	1	385921	""
"677390"	"677390"	"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide"	"CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N=NC5C(=NN(C(=O)CC(=O)Nc6ccc(C)cc6)C5=O)C"	0	""	""	1	1	385927	""
"677395"	"677395"	"2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalat..."	"CN(C)CCCCN1c2ccccc2Sc3ccc(cc13)N=[N+]=[N-]"	0	NA	NA	2	1	NA	""
"677398"	"677398"	"10H-Phenothiazine, 10-(4-chlorobutyl)-1,3,4-trifluoro- 2..."	"[O-][N+](=O)c1c(F)c(F)c2Sc3ccccc3N(CCCCCl)c2c1F"	0	""	""	2	1	385935	""
"677411"	"677411"	"leflunomide"	"Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F"	0	"PK:JAK1,JAK2"	"FDA approved"	1	1	NA	"75706126"
"677413"	"677413"	"N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea"	"[O-][N+](=O)C(F)(CNC(=O)N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	385941	""
"677423"	"677423"	"Amythiamicin A"	"CNC(=O)CC1NC(=O)c2csc(n2)c3ccc(nc3c4csc(n4)c5csc(n5)C(NC(=O)CNC(=O)c6csc(n6)C(NC(=O)c7nc1sc7C)C(C)C)C(C)C)c8nc(cs8)C9=NC(CO9)C(=O)N%10CCCC%10C(=O)N"	0	""	""	3	2	198789	""
"677576"	"677576"	"Saponaceolide B"	"CC1(C)O[C@]2(C)CC[C@@]1(O)OC23CCC(CC[C@@H]4CCC(=C)[C@H](C\C=C\5/CCOC5=O)C4(C)C)CO3"	0	""	""	2	2	5468843	""
"677586"	"677586"	"2-[[(1S,5S,8Z,12S,20S)-13-Phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid"	"OC(=O)CO[C@]12CCC[C@@]34O[C@@]13c5ccccc5N([C@H]4C#C\C=C/C#C2)C(=O)Oc6ccccc6"	0	""	""	1	1	54604782	""
"677589"	"677589"	"[6-(Phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4ccc(NC(=O)OCc5ccccc5)cc34"	0	""	""	1	1	386020	""
"677592"	"677592"	"8-Me-XAA"	"Cc1cccc2Oc3c(CC(=O)O)cccc3C(=O)c12"	0	NA	NA	1	1	NA	""
"677597"	"677597"	"2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide"	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	386034	""
"677598"	"677598"	"Glutamamide, N-acetyl-1-O-(phenylmethyl)-.alpha.-normura..."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	386035	""
"677599"	"677599"	"Glutamamide, N-acetyl-1-O-(phenylmethyl)-.alpha.-normura..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	1	386036	""
"677603"	"677603"	"2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one"	"O=C1C=C(Oc2ccc(Oc3nnnn3c4ccccc4)cc12)c5ccccc5"	0	""	""	3	2	386037	""
"677604"	"677604"	"2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one"	"O=C1C=C(Oc2cc(Oc3nnnn3c4ccccc4)ccc12)c5ccccc5"	0	""	""	1	1	386038	""
"677608"	"677608"	"7-[2-[[2-Hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione"	"CN1C(=O)N(C)c2ncn(CCNC(CO)C(O)c3ccc(cc3)[N+](=O)[O-])c2C1=O"	0	""	""	1	1	386042	""
"677610"	"677610"	"C13H17BrN4O3"	"CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1nc(Br)n2C"	0	""	""	1	1	386044	""
"677612"	"677612"	"[4-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate"	"CC(=O)OC1=C(OCC=C)C(=O)OC1C2COC(C)(C)O2"	0	""	""	1	1	386045	""
"677617"	"677617"	"Furan-2,3-dione, tetrahydro-4-acetoxy- 4-(1-phenyl-2-pro..."	"CC(=O)O[C@@]1(C(C=C)c2ccccc2)C(OC(=O)C1=O)C3COC(C)(C)O3"	0	NA	NA	3	1	NA	""
"677618"	"677618"	""	"CC(=O)O[C@@]1(CC=C)C(OC(=O)C1=O)C2COC(C)(C)O2"	0	NA	NA	1	1	NA	""
"677621"	"677621"	"3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one"	"COc1ncc(\C=C\2/OC(=O)c3ccccc23)c(OC)n1"	0	""	""	1	1	5468846	""
"677624"	"677624"	""	"Cc1ccc(cc1)S(=O)(=O)N\N=C\C(=C\c2ccc(Cl)cc2)\C\C(=C/c3ccc(Cl)cc3)\C=N\NS(=O)(=O)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"677629"	"677629"	"Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl- 5-..."	"COc1oc(C(=O)NC2CCCCC2)c(c3ccc(Cl)cc3)c1S(=O)(=O)c4ccccc4"	0	""	""	2	2	386060	""
"677630"	"677630"	"1-(3,4,5-Trimethoxybenzyl)isothiosemicarbazide"	"COc1cc(CNNC(=N)S)cc(OC)c1OC"	0	""	""	1	1	3005151	""
"677631"	"677631"	"2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole"	"CCOc1c(OC)cc(CNNc2nccs2)cc1OC"	0	""	""	1	1	386062	""
"677634"	"677634"	"2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole"	"COc1ccc(OC)c(c1)c2cn3c4ccccc4sc3n2"	0	""	""	1	1	386067	""
"677640"	"677640"	"2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione"	"COc1cc(cc(OC)c1OC)C2=CC(=O)c3cc4C(=O)C=C(Oc4cc3O2)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	386069	""
"677646"	"677646"	"4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-"	"CC(C)C1N(CCS(=O)c2ccccc2)C(=S)N(C1=O)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	2	1	386073	""
"677666"	"677666"	""	"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5"	0	NA	NA	1	1	NA	""
"677670"	"677670"	""	"O=C1CC(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)N1"	0	NA	NA	1	1	NA	""
"677671"	"677671"	""	"CC(C)(C)OC(=O)C1C(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)NC1=O"	0	NA	NA	1	1	NA	""
"677672"	"677672"	""	"O=C1CC(CC(OCc2ccccc2)C(OCc3ccccc3)C(COCc4ccccc4)OCc5ccccc5)CC(=O)N1"	0	NA	NA	1	1	NA	""
"677674"	"677674"	"Tert-butyl 2,6-dioxo-4-[2,3,4-tris(benzyloxy)butyl]piperidine-3-carboxylate"	"CC(C)(C)OC(=O)C1C(CC(OCc2ccccc2)C(COCc3ccccc3)OCc4ccccc4)CC(=O)NC1=O"	0	""	""	1	1	386084	""
"677695"	"677695"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, i..."	"CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	2	2	386093	""
"677696"	"677696"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]- te..."	"CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	3	3	386094	""
"677697"	"677697"	"7H-Pyrrolo[2,3-d]pyrimidine, 5,6-dimethyl- 2,4-bis(methy..."	"Cc1c(C)n(c2ccccc2)c3nc(nc(c13)S(=O)C)S(=O)C"	0	""	""	2	2	386095	""
"677733"	"677733"	"7,8-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1cc2C(=O)c3cccnc3C(=O)c2cc1C"	0	""	""	1	1	386101	""
"677735"	"677735"	"2-Methylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3ccccc3C(=O)c2n1"	0	""	""	2	2	386103	""
"677768"	"677768"	""	"CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CO)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@H]5C[C@]145"	0	NA	NA	1	1	NA	""
"677771"	"677771"	"[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-Methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate"	"CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)COC(=O)C)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@H]5C[C@]145"	0	""	""	1	1	386139	""
"677776"	"677776"	""	"Cc1ccc(cc1)C2=NNC(=O)N2\N=C/c3ccccc3"	0	NA	NA	3	1	NA	""
"677784"	"677784"	""	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccccc2"	0	NA	NA	1	1	NA	""
"677788"	"677788"	""	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccc(C)cc2"	0	NA	NA	1	1	NA	""
"677793"	"677793"	"(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride"	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccc(F)cc2"	0	""	""	1	1	6519110	""
"677797"	"677797"	"Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate"	"COC(=O)c1cccc(C)c1C2CN=NC23Cc4c(C)c(C)ccc4C3=O"	0	""	""	1	1	386175	""
"677799"	"677799"	"Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate"	"COC(=O)c1c(C)cccc1C2CN=NC23Cc4ccc(C)c(C)c4C3=O"	0	""	""	1	1	386177	""
"677803"	"677803"	"Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4cc(C)cc(C)c4C3=O"	0	""	""	1	1	386181	""
"677811"	"677811"	"Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4c(C)c5CCCc5c(C)c4C3=O"	0	""	""	1	1	386189	""
"677813"	"677813"	"Methyl 2-methyl-6-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate"	"COC(=O)c1c(C)cccc1C2CN=NC23Cc4ccccc4C3=O"	0	""	""	2	1	386191	""
"677815"	"677815"	"Benzoic acid, 2-[(2,3-dihydro-4-methyl-1-oxo- 1H-inden-2..."	"COC(=O)c1ccc(C)cc1CC2Cc3c(C)cccc3C2=O"	0	""	""	2	2	386193	""
"677907"	"677907"	"Ethanethioic acid, 2,2'-(1,2,4-trithiolan- 3,5-diylidene..."	"CSC(=O)\C=C\1/SS\C(=C/C(=O)SC)\S1"	0	""	""	2	1	5468853	""
"677921"	"677921"	"1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine"	"CCN1C(=CC(C=C1c2ccccc2)(c3ccccc3)C(Cl)(Cl)Cl)c4ccccc4"	0	""	""	1	1	386205	""
"677923"	"677923"	"2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine"	"BrCC(Br)(c1ccccc1)c2ccccc2c3cc(cc(n3)c4ccccc4)c5ccccc5"	0	""	""	2	2	386207	""
"677924"	"677924"	"Benzo[a]quinolizinium, 7-bromo-6,7-dihydro- 2,4,7-triphe..."	"BrC1(C[n+]2c(cc(cc2c3ccccc13)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	2	2	386208	""
"677925"	"677925"	"2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine"	"CCOC1=C(N2CCCCC2O1)c3ccccc3"	0	""	""	2	2	386210	""
"677935"	"677935"	"LS-11322"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccc(C)cc2"	0	""	""	2	1	5468858	""
"677936"	"677936"	"Acetic acid, 2-[4-bromo-5-(4-bromophenyl)-3-oxo- 2-furan..."	"COC(=O)\C=C/1\OC(=C(Br)C1=O)c2ccc(Br)cc2"	0	""	""	2	1	5468859	""
"677937"	"677937"	"LS-11306"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccc(OC)cc2"	0	""	""	2	1	5468860	""
"677938"	"677938"	"Methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate"	"COC(=O)\C=C/1\OC(=C(Cl)C1=O)c2ccccc2"	0	""	""	2	1	5468861	""
"677939"	"677939"	"Diindolo[2,3-a:3,2-h]quinolizine"	"c1ccc2c(c1)nc3c2ccn4ccc5c6ccccc6[nH]c5c34"	0	""	""	2	2	386223	""
"677941"	"677941"	"3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene"	"c1ccc2c(c1)ccn3ccc4c5ccccc5nc4c23"	0	""	""	1	1	386225	""
"677942"	"677942"	"L-Glutamamide, N(2)-[4-[[(2,4-diamino-6-pteridinyl)methy..."	"CCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCC"	0	""	""	2	2	386226	""
"677944"	"677944"	"5,8-Quinolinedione, 6-[[2-(4-hydroxy-3-methoxyphenyl) et..."	"COc1cc(CCNC2=CC(=O)c3ncccc3C2=O)ccc1O"	0	""	""	2	2	386227	""
"677945"	"677945"	"Quinoline-5,8-dione, 6-[(3-hydroxy-3-phenyl-2-propyl)ami..."	"CC(NC1=CC(=O)c2ncccc2C1=O)C(O)c3ccccc3"	0	""	""	2	2	386228	""
"677947"	"677947"	"5,8-Quinolinedione, 6-[[2-(3,4-dihydroxyphenyl)ethyl] am..."	"Oc1ccc(CCNC2=CC(=O)c3ncccc3C2=O)cc1O"	0	""	""	2	2	386229	""
"677948"	"677948"	"5,8-Quinolinedione, 7-[[2-(4-hydroxy-3-methoxyphenyl) et..."	"COc1cc(CCNC2=CC(=O)c3cccnc3C2=O)ccc1O"	0	""	""	2	2	386230	""
"677949"	"677949"	"Quinoline-5,8-dione, 7-[(3-hydroxy-3-phenyl-2-propyl)ami..."	"CC(NC1=CC(=O)c2cccnc2C1=O)C(O)c3ccccc3"	0	""	""	3	2	386231	""
"677950"	"677950"	"5,8-Quinolinedione, 6-[[2-(3,4-dimethoxyphenyl)ethyl] am..."	"COc1ccc(CCNC2=CC(=O)c3ncccc3C2=O)cc1OC"	0	""	""	2	2	386232	""
"677951"	"677951"	"3.beta.-Hydroxy-16.beta.-morpholino-5-androsten-17-one"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C[C@H](N5CCOCC5)C4=O"	0	""	""	1	1	386233	""
"677955"	"677955"	"16.beta.-Morpholino-3.beta.-pyrrolidino-5-androsten-17.b..."	"CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)N6CCOCC6"	0	""	""	1	1	386237	""
"677957"	"677957"	"16.beta.-piperidino-3.beta.-pyrrolidino-5-androsten-17.b..."	"CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)N6CCCCC6"	0	""	""	1	1	386239	""
"677959"	"677959"	"16.beta.-N-methylpiperazino-5-androstene-3.beta.,17.beta..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O"	0	""	""	2	1	386241	""
"677960"	"677960"	"16.beta.-N-methylpiperazino-5-androstene-3.beta.,17.beta..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C"	0	""	""	2	2	386242	""
"677961"	"677961"	"16.beta.-N-methylpiperazino-3.beta.-pyrrolidino-5-andros..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)N6CCCC6"	0	""	""	1	1	386243	""
"677962"	"677962"	"16.beta.-N-methylpiperazino-3.beta.-pyrrolidino-5-andros..."	"CN1CCN(CC1)[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6"	0	""	""	1	1	386244	""
"677999"	"677999"	"STL327174"	"FC1=CN(Cc2c(Cl)cccc2Cl)C(=O)N(Cc3c(Cl)cccc3Cl)C1=O"	0	""	""	2	1	386256	""
"678000"	"678000"	"Inolene"	"C[C@@H]1CC\C=C(/C)\[C@@H]2CC[C@@](C)(O2)[C@@H]3C[C@@H]4[C@@H](OC(=O)C4=C)[C@H]1O3"	0	""	""	1	1	5468862	""
"678001"	"678001"	""	"C[C@@H]1CCC[C@@H](C)[C@@H]2O[C@@H](C[C@@H]3[C@H]2OC(=O)C3=C)[C@@]4(C)CC[C@@H]1O4"	0	NA	NA	1	1	NA	""
"678006"	"678006"	"2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine"	"Cc1ccc(cc1)S(=O)(=O)N2CCN(Cc3ccccc3C2)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	386263	""
"678007"	"678007"	"2-Ethoxy-6-[[2-[[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol"	"CCOc1cccc(\C=N/c2ccccc2SSc3ccccc3\N=C/c4cccc(OCC)c4O)c1O"	0	""	""	1	1	386264	""
"678027"	"678027"	"lavendustin a"	"OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O"	0	""	""	1	1	3894	"125697929"
"678028"	"678028"	"1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone"	"O=C1c2ccccc2C(=O)c3c(NCCCN4CCOCC4)ccc(NCCCN5CCOCC5)c13"	0	""	""	1	1	386271	""
"678029"	"678029"	"4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one"	"O=C(COC1=CC(=O)Oc2ccccc12)c3ccccc3"	0	""	""	1	1	386272	""
"678030"	"678030"	"(1Z)-3,4,4-Trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine"	"CCN(CC)\C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])\Sc1ccccc1"	0	""	""	1	1	1550445	""
"678031"	"678031"	""	"[O-][N+](=O)\C(=C/C(=C(\Cl)/SCc1ccccc1)/[N+](=O)[O-])\Cl"	0	NA	NA	1	1	NA	""
"678032"	"678032"	"1,3-Butadiene, 1-bromo-1,2,4-trichloro-3-nitro- 4-[(phen..."	"[O-][N+](=O)\C(=C(\Cl)/SCc1ccccc1)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	2	2	NA	""
"678033"	"678033"	""	"[O-][N+](=O)C(=C1NCCN1)\C(=C(/Cl)\Br)\Cl"	0	NA	NA	2	2	NA	""
"678034"	"678034"	"Ethanol, 2-[(4-bromo-1,3,4-trichloro-2-nitro- 1,3-butadi..."	"OCCN\C(=C(/C(=C(/Cl)\Br)/Cl)\[N+](=O)[O-])\Cl"	0	NA	NA	2	2	NA	""
"678035"	"678035"	"1,3-Butadiene, 4-bromo-1,1,2-trichloro-3-nitro- 4-[(phen..."	"[O-][N+](=O)\C(=C(\Br)/SCc1ccccc1)\C(=C(Cl)Cl)Cl"	0	NA	NA	2	2	NA	""
"678040"	"678040"	"Methanone, (tricyclo[3.3.1.1(3,7)]decan-1-yl) [3-(3-nitr..."	"[O-][N+](=O)c1cccc(c1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	3	1	386283	""
"678041"	"678041"	"1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone"	"[O-][N+](=O)c1ccc(cc1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	386284	""
"678044"	"678044"	"1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone"	"Oc1ccc(cc1)C2OC2C(=O)C34CC5CC(CC(C5)C3)C4"	0	""	""	3	1	386287	""
"678047"	"678047"	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	NA	NA	2	2	NA	""
"678048"	"678048"	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	NA	NA	2	2	NA	""
"678049"	"678049"	"[3,4,5-Triacetyloxy-6-(1-cyano-2-sulfanylidene-4-thiophen-2-yl-5,6-dihydrobenzo[f]isoquinolin-3-yl)oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=C3C(=C2c4cccs4)CCc5ccccc35)C#N"	0	""	""	2	2	386291	""
"678054"	"678054"	""	"OCC1OC(C(O)C(O)C1O)N2C(=S)C(=CC=C2c3ccc(Cl)cc3)C#N"	0	NA	NA	1	1	NA	""
"678056"	"678056"	""	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C)C=C(C#N)C2=S)C"	0	NA	NA	1	1	NA	""
"678057"	"678057"	"Pyridine-3-carbonitrile, 6-(4-chlorophenyl)- 1-(.beta.-D..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=S)C(=CC=C2c3ccc(Cl)cc3)C#N"	0	NA	NA	2	2	NA	""
"678063"	"678063"	"Pyridine-3,5-dicarbonitrile, 6-amino- 1-(.beta.-D-glucop..."	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(=C(C#N)C2=S)c3ccccc3)N"	0	""	""	2	1	3005161	""
"678084"	"678084"	""	"CC(=O)OCC1OC(SC2=NC(=O)\C(=C\c3ccccc3)\S2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"678088"	"678088"	""	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C#N)O"	0	NA	NA	1	1	NA	""
"678095"	"678095"	"Meliternix"	"COC1=C(Oc2c(OC)c(OC)cc(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	386319	""
"678096"	"678096"	"Meliternatin"	"COC1=C(Oc2cc3OCOc3c(OC)c2C1=O)c4ccc5OCOc5c4"	0	""	""	1	1	386320	""
"678098"	"678098"	"Melisimplexin"	"COC1=C(Oc2cc(OC)c(OC)c(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	386322	""
"678099"	"678099"	"Melibentin"	"COC1=C(Oc2c(OC)c(OC)c(OC)c(OC)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	386323	""
"678101"	"678101"	"5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone"	"COC1=C(Oc2c(O)c(OC)c(OC)c(O)c2C1=O)c3ccc4OCOc4c3"	0	""	""	1	1	386325	""
"678102"	"678102"	"5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc4OCOc4c3"	0	""	""	2	2	5466137	"93655959"
"678106"	"678106"	"Rhamnazin"	"COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(OC)c3)O"	0	""	""	2	2	5320945	""
"678107"	"678107"	"Ternatin"	"COC1=C(Oc2c(OC)c(OC)cc(O)c2C1=O)c3ccc(O)c(OC)c3"	0	NA	NA	1	1	NA	""
"678124"	"678124"	"1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole"	"COc1nn(Cc2ccccc2F)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	2	2	386341	""
"678125"	"678125"	"1H-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]- 5-ni..."	"COc1ccccc1Cn2nc(OC)c3cc(ccc23)[N+](=O)[O-]"	0	""	""	2	2	386342	""
"678128"	"678128"	"1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one"	"[O-][N+](=O)c1ccc2N(Cc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	2	1	386345	""
"678131"	"678131"	"5H-Naphtho[2,3-c][1]benzazepine-6,13-dione"	"O=C1Nc2ccccc2C(=O)c3cc4ccccc4cc13"	0	""	""	1	1	386348	""
"678143"	"678143"	"3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one"	"COc1cccc(OC)c1\C=C\2/OC(=O)c3cccc(OC)c23"	0	""	""	2	2	5468869	""
"678144"	"678144"	"4H-1,3,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro- ..."	"CCCCCCCCCCCCCCCC[C@H]1C[N+](C)(C)CCO[P@@](=O)(C)O1"	0	NA	NA	2	1	NA	""
"678146"	"678146"	"Hexadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)- N-m..."	"CCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO"	0	NA	NA	2	2	NA	""
"678156"	"678156"	"N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide"	"[N-]=[N+]=Nc1ccc2N(CCCCN3CCN(CC3)C(=O)CCNC(=O)Cc4ccc(cc4)C(=O)c5ccccc5)c6ccccc6Sc2c1"	0	""	""	2	1	386360	""
"678251"	"678251"	"3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin"	"CC(=O)Oc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccccc4"	0	""	""	1	1	386367	""
"678256"	"678256"	"1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine"	"Clc1ccc(Cl)c(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(Cl)ccc3Cl"	0	""	""	1	1	386372	""
"678257"	"678257"	"STK094679"	"Clc1cccc(c1)N2CCN(CC2)C(=O)c3cc(Cl)ccc3Cl"	0	""	""	1	1	386373	""
"678258"	"678258"	"1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine"	"Clc1ccc(Cl)c(c1)C(=O)N2CCN(CC2)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	386374	""
"678343"	"678343"	"(E)-5-(Diethylamino)-1-phenylpent-1-en-3-one;hydrochloride"	"CCN(CC)CCC(=O)\C=C\c1ccccc1"	0	""	""	2	1	6519127	""
"678345"	"678345"	"1S,5S-8-(E)-Benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a..."	"CN1CC[C@@]2(C[C@@H]1\C(=C/c3ccccc3)\C(=O)C2)c4cccc(O)c4"	0	""	""	2	1	45489959	""
"678346"	"678346"	"1R,5R-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl..."	"CN1CC[C@]2(C[C@H]1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4cccc(O)c4"	0	""	""	1	1	45489960	""
"678347"	"678347"	"1S,5S-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl..."	"CN1CC[C@@]2(C[C@@H]1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4cccc(O)c4"	0	""	""	1	1	45489961	""
"678353"	"678353"	"Methyl 5-acetamido-4,7,8,9-O-acetyl-3,5-dideoxy-2-S-(2'-..."	"CCCCCC(C)SC1(CC(OC(=O)C)C(NC(=O)C)C(O1)[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)C(=O)OC"	0	NA	NA	1	1	NA	""
"678355"	"678355"	"L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2"	"CC(NC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])NC(=O)C(N)CCCCN)C(=O)NC(Cc2ccc(cc2)[N+](=O)[O-])C(=O)N"	0	""	""	4	2	386384	""
"678356"	"678356"	"2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	"Cc1nc(O)nc2nc3cc(Cl)cc(Cl)c3c(NC(C)(CO)CO)c12"	0	""	""	1	1	386385	""
"678357"	"678357"	"2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol"	"CCOc1ccc2nc3nc(O)nc(C)c3c(NC(C)(CO)CO)c2c1"	0	""	""	1	1	386386	""
"678359"	"678359"	"N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide"	"CC1=NC(=O)NC(=C1C(=O)Nc2cccc3cc4ccccc4cc23)NCCNCCO"	0	""	""	2	1	386388	""
"678360"	"678360"	""	"CCn1c2ccccc2c3cc(NC(=O)c4c(C)nc(O)nc4NCCNCCO)ccc13"	0	NA	NA	1	1	NA	""
"678362"	"678362"	"Methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3cccc(C)c3C2=O"	0	""	""	1	1	6284987	""
"678364"	"678364"	"Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate"	"COC(=O)c1ccccc1\C=C\2/Cc3cc(C)cc(C)c3C2=O"	0	""	""	1	1	6477500	""
"678369"	"678369"	"Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate"	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3cc(C)c(C)cc3C2=O"	0	""	""	1	1	5924840	""
"678372"	"678372"	"2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid"	"Cc1ccc2C\C(=C/c3cccc(C)c3C(=O)O)\C(=O)c2c1C"	0	""	""	2	1	5888698	""
"678383"	"678383"	"Benzoic acid, 2-[(4,6-dimethyl-1-oxo-2-indanylidene) met..."	"COC(=O)c1cc(C)ccc1\C=C\2/Cc3c(C)cc(C)cc3C2=O"	0	""	""	3	2	6477508	""
"678387"	"678387"	"Methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate"	"COC(=O)c1ccccc1\C=C\2/Cc3c(C)c4CCCc4c(C)c3C2=O"	0	""	""	1	1	6477511	""
"678393"	"678393"	"TimTec1_000115"	"Brc1cccc(c1)C2=NNC(=O)N2"	0	""	""	1	1	135485485	""
"678396"	"678396"	"5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one"	"O=C1NN=C(N1)c2ccc3ccccc3c2"	0	""	""	1	1	135489805	""
"678397"	"678397"	"3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one"	"Cc1ccc(cc1[N+](=O)[O-])C2=NNC(=O)N2"	0	""	""	1	1	135489806	""
"678401"	"678401"	"Glycine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]-L-leucyl]..."	"COc1ccc(cc1)\N=N\C(=O)NC(CC(C)C)C(=O)NCC(=O)O"	0	""	""	4	2	386431	""
"678402"	"678402"	"L-Alanine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]- L-leuc..."	"COc1ccc(cc1)\N=N\C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O"	0	""	""	3	2	386433	""
"678403"	"678403"	"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O"	0	""	""	1	1	386435	""
"678404"	"678404"	"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O"	0	""	""	1	1	386436	""
"678410"	"678410"	"DA-37066"	"Nc1nccc2c(cccc12)[N+](=O)[O-]"	0	""	""	1	1	386442	""
"678412"	"678412"	"Pyrido[3,4-g]isoquinoline, 1,2,3,4,6,7,8,9-octahydro- 4,..."	"Cc1cc(C)c(C2CNCc3cc4C(CNCc4cc23)c5c(C)cc(C)cc5C)c(C)c1"	0	""	""	2	2	499458	""
"678473"	"678473"	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	2	2	NA	""
"678475"	"678475"	"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-"	"Cc1ccc(CC2=NNC(=O)N2c3ccccc3)cc1"	0	""	""	1	1	386446	""
"678489"	"678489"	"2-Methyl-8-(1-naphthyl)quinoline"	"Cc1ccc2cccc(c3cccc4ccccc34)c2n1"	0	""	""	1	1	386460	""
"678490"	"678490"	"1,2,5-Triphenyl-1H-phosphole 1-oxide"	"O=P1(C(=CC=C1c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	386461	""
"678491"	"678491"	"9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene"	"C1=CC2C=CC(C=C1)P2c3ccccc3"	0	""	""	1	1	386462	""
"678492"	"678492"	"Phosphonium, ethyldiphenyl(phenylethynyl)-, iodide"	"CC[P+](C#Cc1ccccc1)(c2ccccc2)c3ccccc3"	0	NA	NA	2	2	NA	""
"678501"	"678501"	"4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one"	"C[Si](C)(C)C1=C(C(Cl)(Cl)C1=O)[Si](C)(C)C"	0	""	""	2	2	386475	""
"678502"	"678502"	"2-Cyclobuten-1-one, 4,4-dichloro-2,3-diphenyl-"	"ClC1(Cl)C(=O)C(=C1c2ccccc2)c3ccccc3"	0	""	""	2	1	386476	""
"678503"	"678503"	"1-Cyclobuten-3-one, 4,4-dichloro-1-pentyl-"	"CCCCCC1=CC(=O)C1(Cl)Cl"	0	""	""	2	1	386477	""
"678514"	"678514"	"fiau"	"OCC1OC(C(F)C1O)N2C=C(I)C(=O)NC2=O"	0	""	""	1	1	386483	"69123984"
"678518"	"678518"	"Protein: LF"	""	0	NA	NA	1	1	NA	""
"678519"	"678519"	"Protein: EF"	""	0	NA	NA	1	1	NA	""
"678521"	"678521"	"Protein: LF-TTLC"	""	0	NA	NA	1	1	NA	""
"678522"	"678522"	"Protein: 33"	""	0	NA	NA	1	1	NA	""
"678523"	"678523"	"Protein: PA30-14"	""	0	NA	NA	1	1	NA	""
"678524"	"678524"	"Protein: PAHIV1"	""	0	NA	NA	1	1	NA	""
"678525"	"678525"	"Protein: PAHIV4"	""	0	NA	NA	1	1	NA	""
"678531"	"678531"	"5-Bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide"	"Brc1ccc2[nH]cc([C@H]3CN[C@H](CN3)c4c[nH]c5ccc(Br)cc45)c2c1"	0	""	""	2	1	54608160	""
"678532"	"678532"	"2'-Azido-2'-deoxycytidine"	"NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2N=[N+]=[N-]"	0	""	""	2	2	386488	"51034685"
"678533"	"678533"	"2'-Azido-2'-deoxyuridine"	"OCC1OC(C(N=[N+]=[N-])C1O)N2C=CC(=O)NC2=O"	0	""	""	1	1	386489	"26929657"
"678634"	"678634"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, b..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCc3ccccc3)c1"	0	""	""	2	2	386490	""
"678635"	"678635"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	386491	""
"678636"	"678636"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"O=C(OCc1ccccc1)c2ccc(NCC3=CC(=O)C=CC3=O)cc2"	0	""	""	2	2	386492	""
"678637"	"678637"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	386493	""
"678863"	"678863"	""	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)c5)n(C)c4)cn2C)cn1C"	0	NA	NA	1	1	NA	""
"678865"	"678865"	"1,5,3,2,4-Dioxathiadiphosphepane, 2,4-bis(4-methoxypheny..."	"COc1ccc(cc1)P2(=S)OCCOP(=S)(S2)c3ccc(OC)cc3"	0	""	""	2	2	386495	"147819281"
"678866"	"678866"	"Dibenzo[d,f][1,3,2]dioxaphosphepin, 6-(4-methoxyphenyl)-..."	"COc1ccc(cc1)P2(=S)Oc3ccccc3c4ccccc4O2"	0	""	""	2	2	386496	""
"678868"	"678868"	"Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate"	"COC(=O)C1(Cc2ccc(C)cc2C3=C1C(=O)c4ccccc4C3=O)C(=O)OC"	0	""	""	1	1	386498	""
"678869"	"678869"	"Benz[a]anthracene-6,6-dicarboxylic acid, 5,6,7,12- tetra..."	"COC(=O)C1(Cc2ccc(OC)cc2C3=C1C(=O)c4ccccc4C3=O)C(=O)OC"	0	""	""	2	2	386499	""
"678871"	"678871"	"3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	"CC(=O)Oc1ccn2nc(C)c(Br)c2c1"	0	""	""	2	1	386501	""
"678873"	"678873"	"3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate"	"CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br"	0	""	""	2	1	386503	""
"678879"	"678879"	"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol"	"Cc1ccc(O)c(c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	386504	""
"678880"	"678880"	"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-"	"COc1ccc(c(O)c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	386505	""
"678881"	"678881"	"2-[2-[(Z)-Benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)c2cc(nc(\N=C/c3ccccc3)n2)c4ccccc4"	0	""	""	1	1	135509205	""
"678882"	"678882"	"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-pheny..."	"COc1ccc(c(O)c1)c2cc(nc(\N=C/c3ccccc3)n2)c4ccccc4"	0	""	""	2	2	135509206	""
"678883"	"678883"	"Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl..."	"Oc1ccc(Cl)cc1c2cc(nc(\N=C\c3ccccc3)n2)c4ccccc4"	0	""	""	2	2	135509207	""
"678905"	"678905"	"Phenanthridine-4-carboxamide, 6-(4-methoxyphenyl)- N-[2-..."	"COc1ccc(cc1)c2nc3c(cccc3c4ccccc24)C(=O)NCCN(C)C"	0	""	""	2	1	386509	""
"678912"	"678912"	"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 8-met..."	"COc1cccc2nc3c(cccc3cc12)C(=O)NCCN(C)C"	0	""	""	2	2	386511	""
"678913"	"678913"	"4-Acridinecarboxamide, 1-chloro-N-[2-(dimethylamino) eth..."	"CN(C)CCNC(=O)c1ccc(Cl)c2cc3ccccc3nc12"	0	""	""	2	2	386513	""
"678914"	"678914"	"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 1-met..."	"COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12"	0	""	""	2	2	386514	""
"678915"	"678915"	"N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide t..."	"NCCNCCCCCCNC(=O)c1cccc2cc3ccccc3nc12"	0	""	""	2	2	386515	"142038902"
"678917"	"678917"	"1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 6,9-..."	"COc1ccc(OC)c2nc3c(cccc3nc12)C(=O)NCCN(C)C"	0	""	""	2	1	386517	""
"678918"	"678918"	"1,6-Phenazinedicarboxamide, N,N'-bis[2-(dimethylamino) e..."	"CN(C)CCNC(=O)c1cccc2nc3c(cccc3nc12)C(=O)NCCN(C)C"	0	""	""	2	2	386519	"103942592"
"678925"	"678925"	"1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 9-fl..."	"CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12"	0	""	""	2	1	386521	""
"678932"	"678932"	"1H-Benzimidazole-4-carboxamide, N-[2-(dimethylamino)ethy..."	"CN(C)CCNC(=O)c1cccc2[nH]c(nc12)c3ccncc3"	0	""	""	2	2	386523	"124341237"
"678957"	"678957"	"Methyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4-carboxylate"	"COC(=O)c1cn(CCCCO)nn1"	0	""	""	1	1	386525	""
"678964"	"678964"	"Methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate"	"COC(=O)\C=C\N1N=CC(=O)NC1=O"	0	""	""	1	1	54608859	""
"678966"	"678966"	"Methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate"	"COC(=O)\C=C\SC1=NC(=S)N(\C=C\C(=O)OC)C=C1"	0	""	""	1	1	54602168	""
"678967"	"678967"	"Methyl 1-(3-chloro-2-hydroxypropyl)-1h-1,2,3-triazole-4-carboxylate"	"COC(=O)c1cn(CC(O)CCl)nn1"	0	""	""	1	1	386535	""
"678970"	"678970"	"Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate"	"CCOC(=O)CN1C(=O)N(COCCO)C=C(C)C1=O"	0	""	""	1	1	386538	""
"678979"	"678979"	"2-[(E)-4-Bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	"BrC\C=C\CN1N=CC(=O)NC1=O"	0	""	""	1	1	5468889	""
"678986"	"678986"	"6-Bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione"	"BrC\C=C\CN1N=C(Br)C(=O)NC1=O"	0	""	""	1	1	5468896	""
"678989"	"678989"	"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-, cis-"	"CCOC(=O)\C=C(/N1C=CC(=O)NC1=O)\C(=O)OCC"	0	""	""	2	1	5468899	""
"678990"	"678990"	"Diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)NC1=O)/C(=O)OCC"	0	""	""	2	2	5468900	""
"678991"	"678991"	"Thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)NC1=O)\C(=O)OCC"	0	""	""	2	1	6374527	""
"678993"	"678993"	"Diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=NC1=O)N)/C(=O)OCC"	0	""	""	1	1	5468902	""
"678994"	"678994"	"Adenine, 9-[1,2-bis(ethoxycarbonyl)ethenyl]-, trans-"	"CCOC(=O)\C=C(/C(=O)OCC)\n1cnc2c(N)ncnc12"	0	""	""	2	1	5468903	""
"678996"	"678996"	"Diethyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate"	"CCOC(=O)C(SCCO)C(N1C=CC(=O)NC1=O)C(=O)OCC"	0	""	""	2	2	386559	""
"678997"	"678997"	"Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate"	"CCOC(=O)C(SCCO)C(N1C=C(C)C(=O)NC1=O)C(=O)OCC"	0	""	""	2	2	386560	""
"678998"	"678998"	"Diethyl 2-(6-amino-9h-purin-9-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate"	"CCOC(=O)C(SCCO)C(C(=O)OCC)n1cnc2c(N)ncnc12"	0	""	""	2	2	386561	""
"679001"	"679001"	"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-ca..."	"CCOC(=O)CN1C(=O)C=CN(\C(=C\C(=O)OCC)\C(=O)OCC)C1=O"	0	""	""	2	2	5468904	""
"679002"	"679002"	"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-[(ethoxy-ca..."	"CCOC(=O)CN1C(=O)C=CN(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O"	0	""	""	2	2	5468905	""
"679003"	"679003"	"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl..."	"CCOC(=O)\C=C(\N1C=CC(=O)N(CC=C)C1=O)/C(=O)OCC"	0	""	""	2	2	5468906	""
"679004"	"679004"	"Diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate"	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(CC=C)C1=O)/C(=O)OCC"	0	""	""	2	2	5468907	""
"679005"	"679005"	"Uracil, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=CC(=O)N(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O)\C(=O)OCC"	0	""	""	2	2	6381423	""
"679006"	"679006"	"Thymine, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(\C(=C/C(=O)OCC)\C(=O)OCC)C1=O)\C(=O)OCC"	0	""	""	2	2	6382533	""
"679017"	"679017"	"2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one"	"O=C1C=C(Nc2ncccc12)c3ccc4ccccc4c3"	0	""	""	1	1	386569	""
"679018"	"679018"	"2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc4ccccc4c3"	0	""	""	1	1	386570	""
"679019"	"679019"	"2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccc4ccccc4c3"	0	""	""	1	1	386571	""
"679020"	"679020"	"2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc4ccccc4c3"	0	""	""	1	1	5468908	""
"679021"	"679021"	"2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3ccc4ccccc4c3"	0	""	""	2	2	5468909	""
"679022"	"679022"	"2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one"	"Clc1cnc2NC(=CC(=O)c2c1)c3ccc4ccccc4c3"	0	""	""	1	1	386574	""
"679024"	"679024"	"1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-5-methyl-"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc(F)cc3"	0	""	""	3	3	386576	""
"679025"	"679025"	"1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-6-methyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3ccc(F)cc3"	0	""	""	2	2	386577	""
"679028"	"679028"	"6-Chloro-2-(4-fluorophenyl)-1,8-naphthyridin-4(1h)-one"	"Fc1ccc(cc1)C2=CC(=O)c3cc(Cl)cnc3N2"	0	""	""	2	2	386580	""
"679029"	"679029"	"2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one"	"Clc1ccc(cc1)C2=CC(=O)c3cccnc3N2"	0	""	""	1	1	386581	""
"679030"	"679030"	"2-(4-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1h)-one"	"Cc1ccnc2NC(=CC(=O)c12)c3ccc(Cl)cc3"	0	""	""	2	2	386582	""
"679033"	"679033"	"2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one"	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3ccc(Cl)cc3"	0	""	""	2	1	5468913	""
"679034"	"679034"	"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-"	"Clc1cccc(c1)C2=CC(=O)c3cccnc3N2"	0	""	""	2	2	386586	""
"679035"	"679035"	"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-5-methyl-"	"Cc1ccnc2NC(=CC(=O)c12)c3cccc(Cl)c3"	0	""	""	2	2	386587	""
"679036"	"679036"	"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-6-methyl-"	"Cc1cnc2NC(=CC(=O)c2c1)c3cccc(Cl)c3"	0	""	""	2	2	386588	""
"679037"	"679037"	"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-7-methyl-"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccc(Cl)c3"	0	""	""	2	2	5468914	""
"679038"	"679038"	"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)- 5,7-dime..."	"Cc1cc(C)c2C(=O)C=C(Nc2n1)c3cccc(Cl)c3"	0	""	""	2	2	5468915	""
"679042"	"679042"	"3-(1H-Benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1Cc2nc3ccccc3[nH]2"	0	""	""	1	1	386591	""
"679046"	"679046"	"(3-Iodo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-2-yl)methanone"	"IC1(C(=O)c2ccc3ccccc3c2)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	386596	""
"679047"	"679047"	"Naphthalen-1-yl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone"	"O=C(C1S(=O)(=O)OCCOS1(=O)=O)c2cccc3ccccc23"	0	""	""	1	1	386597	""
"679048"	"679048"	"(3-Bromo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-1-yl)methanone"	"BrC1(C(=O)c2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O"	0	""	""	1	1	386598	""
"679069"	"679069"	"1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	"CN1CCN(CC1)C2=NNC(=O)c3c2nnn3Cc4ccccc4"	0	""	""	1	1	386615	""
"679075"	"679075"	"7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol"	"[O-][N+](=O)c1ccc(cc1)n2nnc3C(=NNC(=O)c23)Nc4ccc(Cl)cc4"	0	""	""	1	1	3784604	""
"679088"	"679088"	"1-Phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate"	"CC(OC(=O)NCn1cc(nn1)c2ccccc2)c3ccccc3"	0	""	""	1	1	386634	""
"679092"	"679092"	"5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione"	"S=C1Cc2cc3ccccc3nc2c4ccccc4N1"	0	""	""	3	2	3005168	""
"679095"	"679095"	""	"O=C(N\C(=C\C#N)\N1CCCC1)Nc2ccccc2"	0	NA	NA	3	1	NA	""
"679103"	"679103"	"1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene"	"Cc1c(CN=[N+]=[N-])c(C)c(CN=[N+]=[N-])c(C)c1CN=[N+]=[N-]"	0	""	""	1	1	386646	""
"679107"	"679107"	"Cyano-[4-[[(2,2,2-trifluoro-1-phenylethyl)amino]carbamoyl]pyridin-1-ium-1-yl]boron"	"FC(F)(F)C(NNC(=O)c1cc[n+]([BH2+3][C-]#N)cc1)c2ccccc2"	0	""	""	1	1	6335058	""
"679108"	"679108"	"Phenol, 4,4'-(5,5'-biisoxazole-3,3'-diyl)bis-"	"Oc1ccc(cc1)c2cc(on2)c3onc(c3)c4ccc(O)cc4"	0	""	""	2	2	386651	""
"679194"	"679194"	"5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(3"	"COc1c2Cc3cccc(Cc4cc(cc(Cc5cccc(Cc6cc(cc(Cc7cccc(Cc1cc(c2)C(C)(C)C)c7OCc8cccc(c8)[N+](=O)[O-])c6OC)C(C)(C)C)c5OCc9cccc(c9)[N+](=O)[O-])c4OC)C(C)(C)C)c3OCc%10cccc(c%10)[N+](=O)[O-]"	0	""	""	1	1	16129915	""
"679198"	"679198"	"((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid"	"COc1ccc(cc1)\C(=N\N=C\2/Nc3ccccc3N2Cc4ccccc4)\C(=O)O"	0	""	""	1	1	6297144	""
"679202"	"679202"	"10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	"COc1ccc(cc1)C2=NN=C3N(Cc4ccccc4)c5ccccc5N3C2=O"	0	""	""	1	1	386675	""
"679203"	"679203"	"10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one"	"Clc1ccc(cc1)C2=NN=C3N(Cc4ccccc4)c5ccccc5N3C2=O"	0	""	""	1	1	386676	""
"679223"	"679223"	"4-Imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one"	"CN1C(=O)Nc2sc3CCCCc3c2C1=N"	0	""	""	1	1	386693	""
"679225"	"679225"	"10-Thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene"	"C1CCc2c(C1)sc3N=CN4CCN=C4c23"	0	""	""	1	1	386695	""
"679229"	"679229"	"1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea"	"Clc1ccc(NC(=S)Nc2sc3CCCCc3c2C#N)cc1"	0	""	""	1	1	3005174	""
"679231"	"679231"	"4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol"	"S=C1Nc2sc3CCCCc3c2C(=N1)Nc4ccccc4"	0	""	""	1	1	2816491	""
"679236"	"679236"	"STL170800"	"Brc1ccc(\C=C\2/NC(=S)NC2=O)s1"	0	""	""	1	1	5468923	""
"679240"	"679240"	""	"O=C1NC(=S)N/C/1=C\c2cc3C(=O)c4ccccc4Sc3s2"	0	NA	NA	1	1	NA	""
"679241"	"679241"	""	"O=C1N(C(=S)N/C/1=C\c2cc3C(=O)c4ccccc4Sc3s2)c5ccccc5"	0	NA	NA	1	1	NA	""
"679243"	"679243"	""	"Brc1ccc(\C=C\2/NC(=S)N(CN3CCCCC3)C2=O)s1"	0	NA	NA	1	1	NA	""
"679245"	"679245"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Br)s3)\C(=O)N2c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"679246"	"679246"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Br)s3)\C(=O)N2CN4CCOCC4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"679261"	"679261"	"Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate"	"CCOC(=O)CCc1c(C)nc2c(C)c3c4cc(Cl)ccc4[nH]c3c(C)c2c1O"	0	""	""	1	1	386719	""
"679262"	"679262"	"1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone"	"CCC(=O)c1ccc2[nH]c3c(C)c4c(O)cc(C)nc4c(C)c3c2c1"	0	""	""	1	1	496094	""
"679263"	"679263"	"N-[4-(2-N,N-Diethylaminoethoxy)phenyl]-3-nitro-1,8-napht..."	"CCN(CC)CCOc1ccc(cc1)N2C(=O)c3cccc4cc(cc(C2=O)c34)[N+](=O)[O-]"	0	""	""	1	1	386720	""
"679264"	"679264"	"N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-nitro-1,8-naphthalimide"	"[O-][N+](=O)c1cc2C(=O)N(C(=O)c3cccc(c1)c23)c4ccc(OCCN5CCCC5)cc4"	0	""	""	1	1	386721	""
"679265"	"679265"	"N-[2,4-Dinitro-1-anilino]-3-nitro-1,8-naphthalimide"	"[O-][N+](=O)c1ccc(NN2C(=O)c3cccc4cc(cc(C2=O)c34)[N+](=O)[O-])c(c1)[N+](=O)[O-]"	0	""	""	3	2	386722	""
"679266"	"679266"	"N-[4-Ethyl-2,6-piperidinedione)phenyl]-3-nitro-1,8-napht..."	"CCC1(CCC(=O)NC1=O)c2ccc(cc2)N3C(=O)c4cccc5cc(cc(C3=O)c45)[N+](=O)[O-]"	0	""	""	2	1	386723	""
"679271"	"679271"	""	"N[C@H]1[C@H](Br)C(=O)c2c(Br)sc(Br)c12"	0	NA	NA	3	2	NA	""
"679281"	"679281"	"1-(3-Chloropropoxy)-2-diazonioethenolate"	"ClCCCOC(=O)C=[N+]=[N-]"	0	""	""	1	1	386738	""
"679285"	"679285"	"indan-2-yl 2-diazoacetate"	"[N-]=[N+]=CC(=O)OC1Cc2ccccc2C1"	0	""	""	2	1	386746	""
"679287"	"679287"	""	"CC(=CCCC1(C)C2COC(=O)C12)C"	0	NA	NA	1	1	NA	""
"679431"	"679431"	"2-Ethoxy-6-keto-estradiol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(=O)c2cc1O"	0	NA	NA	3	3	NA	""
"679434"	"679434"	"[1-(benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate"	"CC(=O)OC1CCC2C3CCc4c(C)ccc(OS(=O)(=O)c5ccccc5)c4C3CCC12C"	0	""	""	1	1	386755	""
"679439"	"679439"	"2-amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid"	"NC(CSCc1ccc(cc1)C(=O)c2ccc(CN3CCN(CCCCN4c5ccccc5Sc6cc(ccc46)N=[N+]=[N-])CC3)cc2)C(=O)O"	0	""	""	1	1	386760	""
"679440"	"679440"	"STK386789"	"CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c2ccc(OC)cc2"	0	""	""	1	1	386761	""
"679443"	"679443"	"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	"CCOC(=O)C1C(C(C(=O)OCC)C(O)(CC1=O)c2ccccc2)c3ccc(OC)cc3"	0	""	""	2	2	386764	""
"679446"	"679446"	"Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate"	"CCOC(=O)C1C(C(C(=O)OCC)C(O)(CC1=O)c2ccccc2)c3ccc(cc3)N(C)C"	0	""	""	2	2	386767	""
"679450"	"679450"	"1-Cyano-7-allyl-2,3,7-triazabicyclo[3.3.0]oct-2-ene hydr..."	"C=CCN1CC2CN=NC2(C1)C#N"	0	NA	NA	1	1	NA	""
"679451"	"679451"	"1-Cyano-7-[3-oxo-butyl]-2,3,7-triazabicyclo[3.3.0]oct-2-ene"	"CC(=O)CCN1CC2CN=NC2(C1)C#N"	0	""	""	2	1	386773	""
"679485"	"679485"	"2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetonitrile"	"Cc1ccc(cc1)c2n[nH]c(CC#N)n2"	0	""	""	1	1	386777	""
"679500"	"679500"	"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide"	"CCOc1ccc(cc1)N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3)C2=O)C"	0	""	""	1	1	386792	""
"679501"	"679501"	"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide"	"CCOc1ccc(cc1)N=NC2C(=NN(C(=O)CC(=O)Nc3ccc(C)cc3)C2=O)C"	0	""	""	1	1	386793	""
"679504"	"679504"	"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3C)C2=O)C"	0	""	""	1	1	386796	""
"679505"	"679505"	"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3OC)C2=O)C"	0	""	""	1	1	386797	""
"679506"	"679506"	"N-(2-Chlorophenyl)-3-[4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide"	"CCOc1ccccc1N=NC2C(=NN(C(=O)CC(=O)Nc3ccccc3Cl)C2=O)C"	0	""	""	1	1	386798	""
"679509"	"679509"	"N-(4-Chlorophenyl)-3-[4-[(3,4-dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide"	"Cc1ccc(cc1C)N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C"	0	""	""	1	1	386801	""
"679516"	"679516"	""	"CC[C@@]1(C[C@H]2C[C@@]3(N(CCc4c3[nH]c5ccccc45)C2=S)C(=O)OC)COC6(CCCCC6)O1"	0	NA	NA	1	1	NA	""
"679518"	"679518"	"1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(4-methylphenyl)sulfinylethanone"	"COc1ccc(cc1)S(=O)(=O)n2c3C[C@@H](Cl)[C@@H]4CCCN([C@@H]4c3c5ccccc25)C(=O)CS(=O)c6ccc(C)cc6"	0	""	""	1	1	386810	""
"679524"	"679524"	"Benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-..."	"COC(=O)c1c[nH]c2C(=O)C(=O)c3c(cc(C(=O)OCc4ccccc4)n3S(=O)(=O)c5ccc(C)cc5)c12"	0	""	""	2	2	386816	""
"679525"	"679525"	"Benzyl 7-(Methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-..."	"COC(=O)c1cc2c3c(c[nH]c3C(=O)C(=O)c2n1S(=O)(=O)c4ccc(C)cc4)C(=O)OCc5ccccc5"	0	""	""	2	2	386817	"106674037"
"679527"	"679527"	"WDO527BMU2"	"COC(=O)c1cc(cn1S(=O)(=O)c2ccc(C)cc2)c3c[nH]cc3C(=O)OCc4ccccc4"	0	""	""	1	1	386819	"106674015"
"679528"	"679528"	"8-O-Benzyl 2-O-methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2,8-dicarboxylate"	"CCOP(=O)(OCC)OC1C(OC)c2[nH]c(cc2c3c(c[nH]c13)C(=O)OCc4ccccc4)C(=O)OC"	0	""	""	2	2	386820	""
"679532"	"679532"	"Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate"	"O=Cc1cc(C(=O)OCc2ccccc2)n(c1)S(=O)(=O)c3ccccc3"	0	""	""	1	1	386824	""
"679533"	"679533"	"Benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate"	"COP(=O)(OC)\C=C\c1cc(C(=O)OCc2ccccc2)n(c1)S(=O)(=O)c3ccccc3"	0	""	""	1	1	5468940	""
"679561"	"679561"	"2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one"	"ClC1=CC2(CCNC3=C2C(=O)c4nc[nH]c4C3=O)C=C(Cl)C1=O"	0	""	""	1	1	386838	""
"679572"	"679572"	""	"N.NC1=Nc2c(ncn2C3CC(OP(=O)(O)OCC4OC(CC4O)n5c[n+]([BH2+3][C-]#N)c6C(=O)NC(=Nc56)N)C(CO)O3)C(=O)N1"	0	NA	NA	1	1	NA	""
"679577"	"679577"	""	"CC1(C)O[C@@H]2COC(=O)[C@@H]2O1"	0	NA	NA	1	1	NA	""
"679584"	"679584"	"2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine"	"C(Oc1ncccc1C2SCCCS2)c3ccccc3"	0	""	""	1	1	386850	""
"679586"	"679586"	"Peridinin"	"CC(=O)O[C@H]1CC(C)(C)C(=C=C\C(=C\C=C\C=C\C=C(/C)\C=C\2/OC(=O)C(=C2)\C=C\[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)\C)[C@](C)(O)C1"	0	""	""	1	1	5289155	""
"679588"	"679588"	""	"CCCC(=O)O[C@@H]1C[C@H](OC(=O)C)[C@]2(C)[C@H](OC(=O)C)[C@@H]3O[C@@H]3C(=C)[C@H](Cl)[C@@H]4OC(=O)[C@H](C)[C@@]4(O)[C@H](OC(=O)C)[C@H]2[C@]1(C)O"	0	NA	NA	1	1	NA	""
"679600"	"679600"	"2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol"	"Brc1ccc(cc1)c2cc3c(NC(=O)c4ccccc34)[nH]2"	0	""	""	1	1	386858	""
"679673"	"679673"	"Boc-Leu-Ser(OEt)-NH2"	"CCOCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)N"	0	""	""	1	1	386859	""
"679679"	"679679"	"Boc-Phe-Phe-Ala-OBzl"	"CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3"	0	""	""	1	1	386865	""
"679681"	"679681"	"Boc-Gly-Leu-Met-NMe2"	"CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C"	0	""	""	1	1	386867	""
"679683"	"679683"	"Boc-Gly-Phe-Leu-OEt"	"CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	386869	""
"679684"	"679684"	"Z(OMe)-Gly-D-Ala-Phe-OBzl"	"COc1ccc(COC(=O)NCC(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)OCc3ccccc3)cc1"	0	NA	NA	1	1	NA	""
"679716"	"679716"	"1H-Pyrazole-3-carboxylic acid, 5-benzoyl-4,5-dihydro- 4-..."	"CCOC(=O)C1=NNC(C1c2ccccc2)C(=O)c3ccccc3"	0	""	""	2	2	386876	""
"679735"	"679735"	"J3.542.985I"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2ccc(cc2)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	386877	""
"679738"	"679738"	"2,6-ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one"	"CC(C)(C)C1=CC(O)(C=C(C1=O)C(C)(C)C)c2c3ccccc3c(c4ccccc24)C5(O)C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	386880	""
"679739"	"679739"	"Methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]acetate"	"COC(=O)C(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	386881	""
"679743"	"679743"	"1,4,7,10,13,16-Hexaoxacyclooctadecane-2,9-dione, 12-[4-h..."	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2"	0	""	""	2	1	386885	""
"679748"	"679748"	"[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetram..."	"CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc23)c4ccc(C)cc4C(=O)C1=O"	0	""	""	2	2	386890	""
"679749"	"679749"	"296CFO5QF6"	"O=C1C=C(C2=CC(=O)C(=O)c3ccccc23)c4ccccc4C1=O"	0	""	""	1	1	386891	""
"679795"	"679795"	""	"Nc1cc2cccc[n+]2c3cccc(Cl)c13"	0	NA	NA	1	1	NA	""
"679796"	"679796"	""	"Nc1cc2cccc[n+]2c3cc(Cl)ccc13"	0	NA	NA	1	1	NA	""
"679798"	"679798"	""	"Oc1cc2cccc[n+]2c3cc(Cl)ccc13"	0	NA	NA	1	1	NA	""
"679800"	"679800"	"2,6-Bis((2-aminophenyl)thio)benzonitrile"	"Nc1ccccc1Sc2cccc(Sc3ccccc3N)c2C#N"	0	""	""	1	1	386900	""
"679802"	"679802"	"3-((9H-Purin-6-ylthio)methyl)benzonitrile"	"N#Cc1cccc(CSc2ncnc3[nH]cnc23)c1"	0	""	""	1	1	386902	""
"679804"	"679804"	"3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro- 6-(2-fur..."	"CCOC(=O)C1=C(C)NC(=C(C#N)C1c2cccc(c2)[N+](=O)[O-])c3occc3"	0	""	""	2	2	386904	""
"679813"	"679813"	"Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate"	"CC(C)N(C(C)C)C(=O)C12C3(C4C5(C#N)C(C1(C35)C(=O)OC(C)(C)C)C24C(=O)OC(C)(C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	386912	""
"679815"	"679815"	"2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid"	"CN(C(=O)C12C3(C4C5(C(C1(C35)C(=O)O)C24C(=O)O)C(=O)O)C(=O)O)C(C)(C)C"	0	""	""	1	1	386914	""
"679822"	"679822"	"Naphth[2,3-d]oxazol-9(4H)-one, 2-methyl- 4-[4-(4-morphol..."	"Cc1oc2C(=O)c3ccccc3\C(=N\c4ccc(cc4)N5CCOCC5)\c2n1"	0	""	""	2	2	386916	""
"679824"	"679824"	"5,8-Quinolinedione, 7-[(2,2-diphenylethyl)amino]-"	"O=C1C=C(NCC(c2ccccc2)c3ccccc3)C(=O)c4ncccc14"	0	""	""	2	2	386917	""
"679828"	"679828"	"PD-98059"	"COc1cccc(C2=CC(=O)c3ccccc3O2)c1N"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"167869218"
"679833"	"679833"	"(3S,6S)-3,6-Bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione"	"Brc1ccc2[nH]cc([C@@H]3NC(=O)[C@@H](NC3=O)c4c[nH]c5ccc(Br)cc45)c2c1"	0	""	""	1	1	6712394	""
"679835"	"679835"	"5-Bromo-3-[(5-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole"	"COc1ccc(cc1)C(c2c[nH]c3ccc(Br)cc23)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	1	3745174	""
"680072"	"680072"	"Ochraceolide A"	"C[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]1[C@H]6[C@@H](C2)OC(=O)C6=C"	0	""	""	2	2	386922	""
"680073"	"680073"	"C31H44O5"	"COC(=O)CC[C@]12C[C@]13CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3C[C@H]5OC(=O)C(=C)[C@@H]25)[C@H](C)CC\C=C(/C)\C=O"	0	""	""	2	2	5468948	""
"680074"	"680074"	"superstolide a"	"CO[C@@H]1C[C@H](OC(=O)N)[C@@H]2C=C[C@@H]3\C=C(/C)\C=C\[C@@H](C)[C@@H](OC(=O)\C=C\C=C(\C)/C=C/[C@]3(C)[C@@H]2C1)[C@H](C)[C@H](O)[C@@H](C)NC(=O)C"	0	""	""	2	2	10258400	"156368648"
"680075"	"680075"	"superstolide b"	"CO[C@@H]1C[C@H](OC(=O)N)[C@@H]2C=C[C@@H]3\C=C(/C)\C=C\[C@@H](C)[C@@H](OC(=O)\C=C\C=C(\C)/C=C/[C@]3(C)[C@@H]2C1)\C(=C\[C@@H](C)NC(=O)C)\C"	0	""	""	2	2	54603534	"161300749"
"680093"	"680093"	"17-(O-(2-Pyrrolidinoethyl)]oximino-5-androsten-3.beta.-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@H]3[C@@H]4CC\C(=N/OCCN5CCCC5)\[C@@]4(C)CC[C@H]23"	0	NA	NA	1	1	NA	""
"680094"	"680094"	"17-(O-Diethylaminoethyl)oximino-3-methoxy-1,3,5(10)- est..."	"CCN(CC)CCO\N=C\1/CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C"	0	NA	NA	2	2	NA	""
"680095"	"680095"	"17-[O-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,3,5(10)- ..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=N\OCCN5CCCC5)[C@@H]3CCc2c1"	0	NA	NA	2	1	NA	""
"680102"	"680102"	""	"N=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1C(=O)OCc4ccccc4"	0	NA	NA	1	1	NA	""
"680185"	"680185"	"Estra-1,3,5(10)-trien-3,17-diol,2-ethoxy-6-(hydroxyimino..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\O)\c2cc1O"	0	NA	NA	4	2	NA	""
"680193"	"680193"	"2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline"	"COc1ccc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	1	1	386966	""
"680213"	"680213"	"[N,N,N',N'-Tetramethylethylenediamine carboxyboronium] b..."	"[Br-].C[N+]1(C)CC[N+](C)(C)[BH+3]1C(O)[O-]"	0	""	""	1	1	499480	""
"680217"	"680217"	"5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole"	"Nc1oc(nc1C#N)c2cccnc2"	0	""	""	1	1	386975	""
"680219"	"680219"	""	"c1ccc(cc1)N2N=C2c3ccccc3"	0	NA	NA	1	1	NA	""
"680223"	"680223"	"Bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate"	"CC1(C)C2CCC1(C)C(C2)OC(=O)\C=C\C(=O)OC3CC4CCC3(C)C4(C)C"	0	""	""	1	1	5468961	""
"680292"	"680292"	"6,7-Dimethoxy-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,8(16),11(15)-tetraene-9,10-dione"	"COc1cc2CCN3CCCC4=C3c2c(C(=O)C4=O)c1OC"	0	""	""	1	1	386981	""
"680295"	"680295"	""	"Nc1c(Cl)ncnc1N[C@@H]2C[C@H]2CO"	0	NA	NA	1	1	NA	""
"680297"	"680297"	"(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone"	"CC1CCN(CC1)c2nnc(Cl)cc2C(=O)c3ccccc3"	0	""	""	1	1	386986	""
"680300"	"680300"	""	"Cc1cc(CN(Cc2ccccc2)Cc3nc4ccccc4[nH]3)c(O)c(CN(Cc5nc6ccccc6[nH]5)Cc7nc8ccccc8[nH]7)c1"	0	NA	NA	2	2	NA	""
"680303"	"680303"	"Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid"	"CC1=CC(=O)Nc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12"	0	""	""	1	1	386992	""
"680304"	"680304"	"4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol"	"O=C1NN=C(Nc2ccccc2)c3nnn(Cc4ccccc4)c13"	0	""	""	1	1	386994	""
"680308"	"680308"	"2-(5-Acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile"	"CC(=O)C1=C(C)NC(=C(C#N)C#N)C(=C1)C#N"	0	""	""	1	1	135467695	""
"680311"	"680311"	""	"[Z]c1c([Z])c2cc(ccc2c(OC)c1OC)C(=O)NCCCNC(=O)c3ccc4c(OC)c(OC)c([Z])c([Z])c4c3.[R]Cl.[R]Cl"	0	NA	NA	1	1	NA	""
"680313"	"680313"	"1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane"	"COc1ccc2cc(ccc2c1)C(=O)NCCCNC(=O)c3ccc4cc(OC)ccc4c3"	0	""	""	2	1	387000	""
"680316"	"680316"	"Phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate"	"Fc1ccc(F)c(\C=C\C(=O)OCCc2ccccc2)c1"	0	""	""	1	1	5468962	""
"680317"	"680317"	"Benzenepropanoic acid, 2,5-dihydroxy-, 2-phenylethylester"	"Oc1ccc(O)c(CCC(=O)OCCc2ccccc2)c1"	0	""	""	2	2	387004	""
"680320"	"680320"	"3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline"	"COc1ccc2nc3C(=CC(C)(C)c3nc2c1)c4ccc(Br)cc4"	0	""	""	1	1	387007	""
"680328"	"680328"	""	"OC[C@H]1C[C@H]1n2cnc3C(=O)NC=Nc23"	0	NA	NA	1	1	NA	""
"680340"	"680340"	"4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one"	"O=C1Cc2cn[nH]c2c3ccccc3N1"	0	""	""	2	1	387019	""
"680350"	"680350"	"Aza-heterocyclic Derivative, 4c"	"[O-][N+](=O)c1cccc(c1)c2nnc3C(=O)c4ccccc4c3n2"	0	""	""	1	1	387030	""
"680356"	"680356"	"2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine"	"CN1CCN(CC1)c2nc(C)nc3c2Cc4ccccc34"	0	""	""	1	1	387036	""
"680399"	"680399"	"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide"	"CCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCCCC"	0	""	""	1	1	387041	""
"680410"	"680410"	"Adaphostin"	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	4	4	387042	"241127582"
"680417"	"680417"	"[3,4-Dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCC\C=C/CCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	5468967	""
"680418"	"680418"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O"	0	""	""	2	2	387050	""
"680420"	"680420"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	387052	""
"680421"	"680421"	"5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(CO)O2"	0	""	""	1	1	387053	""
"680434"	"680434"	"3-amino-9(10h)-thioacridone"	"Nc1ccc2C(=S)c3ccccc3Nc2c1"	0	""	""	2	1	3620127	"129821085"
"680465"	"680465"	"6-Nitro-4-[2-(propan-2-ylidene)hydrazinyl]cinnoline"	"CC(=NNc1cnnc2ccc(cc12)[N+](=O)[O-])C"	0	""	""	1	1	387075	""
"680467"	"680467"	"5-[[(4-dimethylamino)phenyl]azo]quinoline"	"CN(C)c1ccc(cc1)N=Nc2cccc3ncccc23"	0	""	""	2	2	87103	""
"680468"	"680468"	"DA-35827"	"Cc1cc2ccc(N)nc2nc1O"	0	""	""	1	1	5466188	""
"680469"	"680469"	"4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile"	"ONC(CCC#N)(CCC#N)CCC#N"	0	""	""	1	1	387078	""
"680472"	"680472"	"AC-13310"	"NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O"	0	""	""	1	1	387081	""
"680479"	"680479"	"N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide"	"[O-][N+](=O)C1(CCNC(=O)c2ccccc2)CCN(CC1)C(=O)c3ccccc3"	0	""	""	1	1	387088	""
"680482"	"680482"	""	"NCCC1(N)CCNCC1"	0	NA	NA	1	1	NA	""
"680483"	"680483"	""	"NCCC1(CC=NC=C1)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"680491"	"680491"	"1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione"	"CN1B(N(C)C(=O)N(C)C1=O)c2ccccc2"	0	""	""	1	1	387100	""
"680493"	"680493"	"5-Nitrocinnoline"	"[O-][N+](=O)c1cccc2nnccc12"	0	""	""	1	1	387102	""
"680495"	"680495"	"(4-bromophenyl)-(2-quinolyl)diazene"	"Brc1ccc(cc1)N=Nc2ccc3ccccc3n2"	0	""	""	1	1	387104	""
"680507"	"680507"	""	"CCC(CCN)(CCN)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"680508"	"680508"	"7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid"	"CC(=O)Nc1ccc2c(C(=O)O)c(C)c(O)nc2n1"	0	""	""	1	1	5466192	""
"680509"	"680509"	"N-[2-(4-Amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride"	"NC1(CCNC(=O)c2ccccc2)CCN(CC1)C(=O)c3ccccc3"	0	""	""	1	1	387114	""
"680510"	"680510"	"1,8-Naphthyridin-3-amine, 2,7-dichloro-5-methyl-"	"Cc1cc(Cl)nc2nc(Cl)c(N)cc12"	0	""	""	2	2	387116	""
"680515"	"680515"	"7-(p-N,N-Dimethylaminophenylazo)benzofuran"	"CN(C)c1ccc(cc1)N=Nc2cccc3ccoc23"	0	""	""	2	1	39164	"42242580"
"680537"	"680537"	"O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate"	"CCOC(=S)SC\C(=N/OC(C)(C)OC)\c1ccccc1"	0	""	""	1	1	5907878	""
"680540"	"680540"	"[3-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate"	"CC(=O)OC1=C(OCC=C)C(OC1=O)C2COC(C)(C)O2"	0	""	""	2	1	387132	""
"680553"	"680553"	"2-Quinoxalinecarboxylic acid, 3-[(4-fluorophenyl)amino]-..."	"CCOC(=O)c1nc2ccccc2nc1Nc3ccc(F)cc3"	0	""	""	2	2	387137	""
"680561"	"680561"	"Benzoic acid, 4-[2-[2,5-dihydroxyphenyl]ethenyl]-, methy..."	"COC(=O)c1ccc(\C=C\c2cc(O)ccc2O)cc1"	0	""	""	2	2	5468975	""
"680649"	"680649"	"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)-ethyl..."	"COC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	387145	""
"680664"	"680664"	"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-"	"Cc1c(Cl)nc(Nc2nc3ccccc3[nH]2)nc1Cl"	0	""	""	1	1	387150	""
"680666"	"680666"	"1H-Benzimidazol-2-amine, N-[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]-"	"Cc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1CCCl"	0	""	""	1	1	387152	""
"680667"	"680667"	"2-(1H-Benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one"	"OC1=C(Cc2ccccc2)C(=O)NC(=N1)Nc3nc4ccccc4[nH]3"	0	""	""	1	1	387153	""
"680669"	"680669"	"N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine"	"Clc1cc(nc(Nc2nc3ccccc3[nH]2)n1)c4ccccc4"	0	""	""	1	1	387155	""
"680672"	"680672"	"8W-0230"	"CCOC(=O)C1=CN=C(NC1=O)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	387158	""
"680674"	"680674"	"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile"	"O=C1NC(=NC=C1C#N)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	387160	""
"680675"	"680675"	"8W-0228"	"CC1=CC(=O)NC(=N1)N2NC3=C(CCCC3)C2=O"	0	""	""	1	1	135408826	""
"680676"	"680676"	"8W-0235"	"O=C1NC(=NC(=C1)c2ccccc2)N3NC4=C(CCCC4)C3=O"	0	""	""	1	1	135439521	""
"680679"	"680679"	"C9H7N5"	"Nc1ncn2c3ccccc3nc2n1"	0	""	""	1	1	387165	""
"680710"	"680710"	"3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one"	"CC1=C(Cl)C(=O)Oc2cc(OCC(=O)c3ccccc3)ccc12"	0	""	""	1	1	387174	""
"680711"	"680711"	"RM8UZT5WRZ"	"CC(=O)Oc1cccc2CCCCC(=O)c12"	0	""	""	1	1	387175	"123958372"
"680712"	"680712"	"[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid"	"OC(=O)COc1cccc2C=CC=CC(=O)c12"	0	""	""	1	1	387176	"123958407"
"680715"	"680715"	"salicylaldehyde, 5-bromo- (8ci)"	"Oc1ccc(Br)c(C=O)c1"	0	""	""	3	3	387179	"1761611"
"680717"	"680717"	"2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine"	"COc1ccc(Br)c(\C=N/c2cccc3cc(OC)c(OC)cc23)c1"	0	""	""	3	3	387181	"56517012"
"680718"	"680718"	"N-Methyl-2,3,8-trimethoxybenzo[c]phenanthridinium iodide"	"COc1ccc2c(c1)c[n+](C)c3c2ccc4cc(OC)c(OC)cc34"	0	""	""	1	1	387182	""
"680720"	"680720"	"Picramnioside C"	"CC(=O)OC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24"	0	NA	NA	1	1	NA	""
"680721"	"680721"	"5H-1,4,8,11-Benzotetrathiacyclotridecin- 13,14-dicarboni..."	"N#Cc1cc2SCCSCCCSCCSc2cc1C#N"	0	""	""	2	2	387185	""
"680722"	"680722"	"[?]diimine"	"N=C1NC(=N)c2cc3SCCSCCCSCCSc3cc12"	0	""	""	2	2	387186	""
"680728"	"680728"	"1-Penten-4-yn-3-one, 5-(2,4-dimethoxypyrimidin-5-yl)-"	"COc1ncc(C#CC(=O)C=C)c(OC)n1"	0	""	""	2	2	387188	""
"680732"	"680732"	"12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione"	"CN(C)\C=C\c1c2C(=O)c3ccccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	5468976	""
"680733"	"680733"	"Quino[6,7-b]quinolin-5,12-dione, 11-[2-(dimethylamino) e..."	"CN(C)\C=C\c1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	5468977	""
"680734"	"680734"	"Pyrido[2,3-b]acridine-5,12-dione, 11-[2-(dimethylamino)e..."	"CN(C)CCc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	3	3	387193	""
"680735"	"680735"	"6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one"	"Brc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35"	0	""	""	2	2	387194	""
"680738"	"680738"	"2-Phenyl-1-benzothiophen-3-ol"	"Oc1c(sc2ccccc12)c3ccccc3"	0	""	""	1	1	387196	""
"680739"	"680739"	"Maybridge3_002848"	"CC(=O)Oc1c(sc2ccccc12)c3ccccc3"	0	""	""	1	1	387197	""
"680763"	"680763"	""	"CCOC(=O)\C=C\[C@H](O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)C(C)(C)C"	0	NA	NA	2	1	NA	""
"680771"	"680771"	"(4S,5S)-4(tert-butyldimethylsilyoxy)-5-hydroxy-1,8-diace..."	"CC(=O)OC\C=C\[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)\C=C\COC(=O)C"	0	NA	NA	1	1	NA	""
"680773"	"680773"	"Ethyl-(4S,5S)-4-hydroxy-5-tert-butyldimethylsilyoxy-2,6-..."	"CCOC(=O)\C=C\[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)\C=C\C"	0	NA	NA	1	1	NA	""
"680776"	"680776"	""	"CC(C)(C)[Si](C)(C)O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(=O)OC3CCCC=C3"	0	NA	NA	1	1	NA	""
"680777"	"680777"	""	"COc1ccc(cc1)C(OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccccc2)c3ccccc3)c4ccc(OC)cc4"	0	NA	NA	1	1	NA	""
"680779"	"680779"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 2..."	"CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C"	0	""	""	2	2	387217	""
"680780"	"680780"	"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)etheny..."	"COC(=O)c1ccc(\C=C\C2=CC(=O)C=CC2=O)cc1"	0	""	""	2	2	5468990	""
"680781"	"680781"	"2(3H)-Furanone, dihydro-3-[1-[(4-chlorophenyl)amino] eth..."	"C\C(=C/1\CCOC1=O)\Nc2ccc(Cl)cc2"	0	""	""	2	2	820318	""
"680782"	"680782"	"IDI1_014313"	"C\C(=C/1\CCOC1=O)\Nc2ccc(F)cc2"	0	""	""	1	1	2815996	""
"680788"	"680788"	"1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline"	"Cc1nc2ccc(Cl)cc2c3N(CCc13)c4ccccc4"	0	""	""	1	1	387226	""
"680809"	"680809"	"1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione"	"CN1C(=O)N(C)c2c(C1=O)c3ccccc3n2C"	0	""	""	1	1	387234	""
"680817"	"680817"	"6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol"	"Cc1ccc2[nH]c3NC(=O)NC(=O)c3c2c1"	0	""	""	1	1	387242	""
"680820"	"680820"	"2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol"	"CCc1ccc(NC2=CC(=O)NC(=N2)SCc3ccccc3)cc1"	0	""	""	1	1	135489816	""
"680827"	"680827"	"5-Bromo-3H-triazolo[4,5-d]pyrimidin-7-ol"	"BrC1=Nc2[nH]nnc2C(=O)N1"	0	""	""	1	1	135440019	""
"680836"	"680836"	"2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol"	"NC1=NC2(COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(COC(c6ccccc6)(c7ccccc7)c8ccccc8)C(O)C2O1"	0	""	""	1	1	387255	""
"680837"	"680837"	"6H,11H-1,3,5,2,4-Trioxadisilocino[6'',7'':4',5']furo [2'..."	"COC(O)C12OC3CO[Si](O[Si](OC3C1OC4=NC(=O)C=CN24)(C(C)C)C(C)C)(C(C)C)C(C)C"	0	""	""	2	2	387256	""
"680838"	"680838"	"Methyl 15-oxo-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-diene-11-carboxylate"	"COC(=O)C12OC3CO[Si](O[Si](OC3C1OC4=NC(=O)C=CN24)(C(C)C)C(C)C)(C(C)C)C(C)C"	0	""	""	1	1	387257	""
"680841"	"680841"	"1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C([Se]c2ccccc2)C1O)N3C=CC(=O)NC3=O"	0	""	""	1	1	387260	""
"680857"	"680857"	"3-Ethyl-4-hydroxy-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1O"	0	""	""	1	1	387261	""
"680862"	"680862"	"4-[(E)-(2-Chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2ccccc2Cl"	0	""	""	1	1	9574950	""
"680863"	"680863"	"3-Ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2ccc(C)cc2"	0	""	""	1	1	9556228	""
"680928"	"680928"	"2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid"	"NC(CSSCC(N)C(=O)OCC#C)C(=O)O"	0	""	""	1	1	387277	""
"680930"	"680930"	"1-[(Z)-[4-(Dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea"	"CN(C)c1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	1	1	5911253	""
"680931"	"680931"	"1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide"	"O=C(N\N=C\c1cccc2ccccc12)Nc3cccc4ccccc34"	0	""	""	1	1	5859414	""
"680933"	"680933"	"benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone"	"Clc1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	2	1	5923589	""
"680934"	"680934"	"1-[(Z)-(4-Methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea"	"COc1ccc(\C=N\NC(=O)Nc2cccc3ccccc23)cc1"	0	""	""	1	1	5914027	""
"680935"	"680935"	"2H-Furo[3',2':3,4]benzopyrano[6,7-b]pyridine- 2,6,11-tri..."	"Cc1cnc2C(=O)C3=C(C(=O)c2c1)C(C)(C)OC4CC(=O)OC34"	0	""	""	2	2	387284	""
"680936"	"680936"	"6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione"	"Cc1nc2C(=O)C3=C(C(=O)c2cc1OCc4ccccc4)C(C)(C)OC5CC(=O)OC35"	0	""	""	1	1	387285	""
"680981"	"680981"	"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one"	"NC1=NC(=O)N(C2OC(CO)C(O)C2O)c3ncc(nc13)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	387287	""
"680998"	"680998"	"N-[1-(Dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide"	"CC(CN(C)C)NC(=O)c1cc(nc2ccc(C)cc12)c3nccn3C"	0	""	""	1	1	387305	""
"680999"	"680999"	"N-[5-(Diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide"	"CCN(CC)CCCC(C)NC(=O)c1cc(nc2ccc(C)cc12)c3nccn3C"	0	""	""	1	1	387306	""
"681019"	"681019"	"RD7-5040"	"COc1cc(O)c2C(=O)c3ccccc3N(C)c2c1"	0	""	""	1	1	5377412	""
"681026"	"681026"	"2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one"	"O=C1C=C(N=C2C=CC=CN12)N3CCN(CC3)C4=CC(=O)c5ccccc5O4"	0	""	""	2	1	387313	""
"681027"	"681027"	"7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione"	"CCS(=O)(=O)CCn1cnc2N(C)C(=O)N(C)C(=O)c12"	0	""	""	1	1	387314	""
"681056"	"681056"	"glycochenodeoxycholic acid, sodium salt (7ci)"	"C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	NA	"16564435"
"681069"	"681069"	"2-Ethoxy-6.alpha.,.beta.-amino-estra-1,3,5(10)-trien-3,1..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(N)c2cc1O"	0	""	""	1	1	387324	""
"681073"	"681073"	""	"COC(=O)[C@@H]1COC(N1C(=O)C(c2ccccc2)c3ccccc3)C(C)(C)C"	0	NA	NA	1	1	NA	""
"681079"	"681079"	""	"COC(=O)[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1)C2(C)C)C(C)(C)C"	0	NA	NA	1	1	NA	""
"681081"	"681081"	"AK155881"	"Brc1c2N=S=Nc2c(Br)c3nsnc13"	0	""	""	2	2	387337	""
"681082"	"681082"	"2-Furanacetic acid, .alpha.-(4,5-diphenyl-2-oxo- 3-oxazo..."	"CC(N1C(C(OC1=O)c2ccccc2)c3ccccc3)(C(=O)OCc4ccccc4)c5occc5"	0	""	""	2	2	387338	""
"681083"	"681083"	"1,7-Ditosyl-1,4,7,10-tetraazacyclododecane"	"Cc1ccc(cc1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	387339	""
"681086"	"681086"	""	"C\C(=N/N=C(/N)\SB(F)F)\c1ccc2ccccc2c1"	0	NA	NA	1	1	NA	""
"681087"	"681087"	"10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione"	"CC(C)(C)c1ccc(cc1)N2C3=NC(=O)N(C(=O)C3=Cc4ccccc24)c5ccccc5CO"	0	""	""	1	1	387343	""
"681104"	"681104"	"Phosphonic acid, [1,4,7,10-tetraazacyclododecane-1,7-diy..."	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CCNCC1"	0	NA	NA	2	2	NA	""
"681105"	"681105"	"Acetic acid, [1,4,7,10-tetraazacyclododecane-1,7-diyl]bis"	"OC(=O)CN1CCNCCN(CC(=O)O)CCNCC1"	0	NA	NA	2	2	NA	""
"681112"	"681112"	""	"Oc1ccccc1CNCc2nc3ccccc3[nH]2"	0	NA	NA	1	1	NA	""
"681113"	"681113"	"N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine"	"C(Cc1ccccc1)N(Cc2nc3ccccc3[nH]2)Cc4nc5ccccc5[nH]4"	0	""	""	2	2	387361	""
"681114"	"681114"	"5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine"	"Cc1cc2nc3ccccc3n2c4nc(N)ccc14"	0	""	""	1	1	387362	""
"681115"	"681115"	"4-Methylbenzimidazo[1,2-a][1,8]naphthyridine"	"Cc1ccnc2c1ccc3nc4ccccc4n23"	0	""	""	1	1	387363	""
"681122"	"681122"	"4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid"	"OC(=O)c1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	1	1	387370	""
"681129"	"681129"	""	"CN(C)Cc1cc(cc(CN(C)C)c1O)C(=O)\C=C\c2ccc(cc2)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"681132"	"681132"	""	"Oc1c(CN2CCOCC2)cc(cc1CN3CCOCC3)C(=O)\C=C\c4ccccc4"	0	NA	NA	1	1	NA	""
"681135"	"681135"	"1,3-Bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride"	"CC(C)(CN1CCCCC1)\C(=N/NC(=O)N\N=C(\C=C\c2ccc(Cl)cc2)/C(C)(C)CN3CCCCC3)\C=C\c4ccc(Cl)cc4"	0	""	""	2	1	6519178	""
"681143"	"681143"	"4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile"	"Nc1nc(nc2oc(nc12)c3ccc(cc3)C#N)c4ccccc4"	0	""	""	1	1	387395	""
"681145"	"681145"	"Antcin B"	"CC(CCC(=C)C(C)C(=O)O)C1CCC2C3=C(C(=O)CC12C)C4(C)CCC(=O)[C@@H](C)C4CC3=O"	0	NA	NA	1	1	NA	""
"681146"	"681146"	"(3R)-Astragaluquinone"	"COc1ccc2C[C@@H](COc2c1OC)C3=CC(=O)C=C(O)C3=O"	0	""	""	2	2	73200	""
"681151"	"681151"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"O=C(OC12CC3CC(CC(C3)C1)C2)c4ccc(NCC5=CC(=O)C=CC5=O)cc4"	0	""	""	2	2	387401	""
"681152"	"681152"	"Benzoic acid, 4-[2-(2,5-dihydroxyphenyl)ethyl]-, methyl ..."	"COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1"	0	""	""	3	3	387402	""
"681163"	"681163"	"8-Chloroimidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile 5,5-dioxide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C#N"	0	""	""	2	2	387415	""
"681164"	"681164"	"N-Butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"CCCCNC(=O)c1cc2c(Sc3nccn3S2(=O)=O)cc1Cl"	0	""	""	1	1	387416	""
"681165"	"681165"	"8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4ccccc4"	0	""	""	2	1	387417	""
"681167"	"681167"	"8-Chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1ccc(NC(=O)c2cc3c(Sc4nccn4S3(=O)=O)cc2Cl)cc1"	0	""	""	1	1	387419	""
"681173"	"681173"	"2-Chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamid"	"Cc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)NC4=NNC(=O)N4)C(=O)Nc5ccc(C)cc5)cc2Cl)S(=O)(=O)NC6=NNC(=O)N6)cc1"	0	""	""	1	1	135489820	""
"681177"	"681177"	"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea"	"CSc1cc(Cl)c(C)cc1S(=O)(=O)NC(=O)NNc2ccccn2"	0	""	""	1	1	387428	""
"681185"	"681185"	"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea"	"CSc1cc(Cl)c(C)cc1S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2"	0	""	""	1	1	387436	""
"681226"	"681226"	"Boronic acid, [1-[2-[(4-morpholinylcarbonyl]amino]- 3-(1..."	"CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O"	0	""	""	3	2	387437	""
"681228"	"681228"	"Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxo- 2-[(8-quino..."	"CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NS(=O)(=O)c3cccc4cccnc34)B(O)O"	0	""	""	3	3	387439	""
"681229"	"681229"	"Boronic acid, [1-[[2-amino-3-(1-naphthalenyl)- 1-oxoprop..."	"CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cccc2ccccc12)B(O)O"	0	""	""	3	2	387440	""
"681231"	"681231"	"Boronic acid, [1-[[3-(1-naphthalenyl)-2-[(4-morpholinyl ..."	"CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O"	0	""	""	3	3	387442	""
"681234"	"681234"	"Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxopropyl]amino]..."	"CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)B(O)O"	0	""	""	3	2	387443	""
"681236"	"681236"	"Boronic acid, [1-[[3-(1-naphthalenyl)-2-[(4-morpholinyl ..."	"OB(O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)N4CCOCC4"	0	""	""	2	2	387444	""
"681237"	"681237"	"Boronic acid, [1-[[3-(1-naphthalenyl)-2-(methylamino)- 1..."	"CN[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)B(O)O"	0	""	""	3	1	387445	""
"681239"	"681239"	"Bortezomib"	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O"	0	"PSM"	"FDA approved"	6	2	NA	"179324697"
"681242"	"681242"	"{(1r)-3-Methyl-1-[(3-phenylpropanoyl)amino]butyl}boronic acid"	"CC(C)C[C@H](NC(=O)CCc1ccccc1)B(O)O"	0	""	""	1	1	387448	""
"681261"	"681261"	"4-Azido-2-quinolone"	"[N-]=[N+]=NC1=CC(=O)Nc2ccccc12"	0	""	""	1	1	2785819	""
"681266"	"681266"	"1,3-Diphenyl-4-phosphoranylideneamino-uracil"	"O=C1C=C(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)N(C(=O)N1c5ccccc5)c6ccccc6"	0	""	""	1	1	387460	""
"681271"	"681271"	"1,3,6-Triphenyl-oxazolo(5,4-d)pyrimidin-2',4(1H,3H)-dion"	"O=C1N(C(=O)c2nc(oc2N1c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	3	1	387467	""
"681277"	"681277"	"4'-Azido-3-nitro-1-methyl-2-quinolone"	"CN1C(=O)C(=C(N=[N+]=[N-])c2ccccc12)[N+](=O)[O-]"	0	""	""	2	2	387473	""
"681279"	"681279"	"5-Phenyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furo..."	"[O-][n+]1onc2c3ccccc3N(C(=O)c12)c4ccccc4"	0	""	""	3	2	387476	""
"681281"	"681281"	"2,3-Diazido-phenalen-1-on"	"[N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(C1=O)c23"	0	""	""	1	1	387478	""
"681282"	"681282"	"1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil"	"CN1C(=O)N(C)C(=C(C1=O)[N+](=O)[O-])N=P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	387480	""
"681285"	"681285"	"1-Azido-2-acetyl-benzo(ii)quinolizin-3-one"	"CC(=O)C1=C(N=[N+]=[N-])c2cccc3CCCN(C1=O)c23"	0	""	""	1	1	387483	""
"681287"	"681287"	"9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one"	"Clc1ccc2NC(=O)c3nc(oc3c2c1)c4ccccc4"	0	""	""	1	1	387486	""
"681288"	"681288"	"Benzoic acid, 4-[[2-(1,4-dioxonaphthalenyl)methyl]amino]..."	"COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1"	0	""	""	2	1	387487	""
"681312"	"681312"	""	"Cl[C@@]12[C@@H]([C@H]1c3ccccc3)C(=O)[C@@]4(Cl)[C@H]([C@@H]4c5ccccc5)C2=O"	0	NA	NA	1	1	NA	""
"681316"	"681316"	"1-(5-Bromo-2-thienyl)-1-propanone oxime"	"CC\C(=N\O)\c1ccc(Br)s1"	0	""	""	1	1	6375867	""
"681320"	"681320"	""	"CSC1=C(C)S\C(=C/c2ccc(\C=C\3/SC(=C(SC)S3)C)cc2)\S1"	0	NA	NA	1	1	NA	""
"681322"	"681322"	""	"N=C1N([C@@H](Cc2ccccc2)[C@H](c3ccccc3)C1(c4ccccc4)c5ccccc5)S(=O)(=O)c6ccccc6"	0	NA	NA	1	1	NA	""
"681323"	"681323"	""	"O=S(=O)(N[C@@H](Cc1ccccc1)[C@H](c2ccccc2)C(C#N)(c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"681324"	"681324"	"1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone"	"Brc1nn(CC(=O)c2ccccc2)c(Br)c1Br"	0	""	""	1	1	387513	""
"681326"	"681326"	"17-Thia-2,4,5,7,8-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,11(16)-tetraen-9-one"	"O=C1N2NC=NNC2=Nc3sc4CCCCc4c13"	0	""	""	2	2	387515	""
"681451"	"681451"	"uracil, 1-(1-adamantylcarboxamido)-5-fluoro-"	"FC1=CN(NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)NC1=O"	0	""	""	2	2	387541	""
"681452"	"681452"	"1-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	"Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1"	0	""	""	1	1	387542	""
"681453"	"681453"	"2-Adamantyl 2,6-dichloro-4-pyrimidinyl ether"	"Clc1cc(OC2C3CC4CC(CC2C4)C3)nc(Cl)n1"	0	""	""	1	1	387543	""
"681455"	"681455"	"Benzo[b][1,8]naphthyridin-5-imine, 10,10'-octamethylene-..."	"Cc1cc(C)c2C(=N)c3ccccc3N(CCCCCCCCN4c5ccccc5C(=N)c6c(C)cc(C)nc46)c2n1"	0	NA	NA	2	1	NA	""
"681456"	"681456"	"N-Phenyl-4-[10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide"	"O=S(=O)(Nc1ccccc1)c2ccc(cc2)c3c4C=Cc([nH]4)c(c5ccc(cc5)S(=O)(=O)Nc6ccccc6)c7ccc(n7)c(c8ccc(cc8)S(=O)(=O)Nc9ccccc9)c%10ccc([nH]%10)c(c%11ccc(cc%11)S(=O)(=O)Nc%12ccccc%12)c%13ccc3n%13"	0	""	""	2	1	16129816	""
"681461"	"681461"	""	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4ccc(CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)cc4)c9ccccn9"	0	NA	NA	1	1	NA	""
"681462"	"681462"	"6,8-Methanoisoquinoline, 5,5'-(1,3-phenylenedimethyene) ..."	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4cccc(CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c4)c9ccccn9"	0	NA	NA	2	2	NA	""
"681463"	"681463"	"6,8-Methanoisoquinoline, 5,5'-(1,2-phenylenebismethyl)bi..."	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4ccccc4CC5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c9ccccn9"	0	NA	NA	2	2	NA	""
"681466"	"681466"	"(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrys"	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](C(=O)\C=C\c6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	""	""	1	1	5459276	""
"681480"	"681480"	"N-[17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide"	"CC(=O)Nc1ccc2cc3c(nc2n1)c4cccnc4n3S(=O)(=O)c5ccccc5"	0	""	""	1	1	387557	""
"681481"	"681481"	"Geodiamolide B"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(O)c(Br)c2)C(=O)N[C@@H](C)C(=O)O1"	0	""	""	3	3	5469013	""
"681482"	"681482"	"Benzo[g]quinoxalin-2(1h)-one"	"O=C1Nc2cc3ccccc3cc2N=C1"	0	""	""	1	1	387559	""
"681483"	"681483"	"3-Methylbenzo[g]quinoxalin-2(1h)-one"	"CC1=Nc2cc3ccccc3cc2NC1=O"	0	""	""	1	1	387560	""
"681538"	"681538"	"3-Benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccccc1\C=N\N2C(=O)NN=C2Cc3ccccc3"	0	""	""	1	1	9574951	""
"681541"	"681541"	"Benzoic acid, 4-[[2-(1,4-dihydroxynaphthalenyl)methyl]am..."	"COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1"	0	""	""	2	2	387584	""
"681598"	"681598"	"11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene"	"COc1cccc2CC3COc4ccccc4C3Oc12"	0	""	""	1	1	387589	""
"681606"	"681606"	"17-Methoxy-6,8,12,20-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14(19),15,17-hexaene"	"COc1ccc2C3Oc4cc5OCOc5cc4CC3COc2c1"	0	""	""	1	1	387597	""
"681613"	"681613"	"3-Methoxy-6H,7H-chromeno[4,3-b]chromene"	"COc1ccc2C3=C(COc2c1)Cc4ccccc4O3"	0	""	""	1	1	387604	""
"681619"	"681619"	"3-Methoxy-6H-chromeno[4,3-b]chromen-7-one"	"COc1ccc2C3=C(COc2c1)C(=O)c4ccccc4O3"	0	""	""	1	1	387610	""
"681621"	"681621"	"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea"	"CCCCNC(=S)Nc1nc(cs1)C(=O)NNC(=O)c2ccccc2"	0	""	""	1	1	3005191	""
"681622"	"681622"	"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea"	"O=C(NNS(=O)(=O)c1ccccc1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	3005192	""
"681623"	"681623"	"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea"	"O=C(NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1)c3ccccc3"	0	""	""	1	1	3005193	""
"681628"	"681628"	"1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea"	"CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1"	0	""	""	1	1	3005198	""
"681629"	"681629"	"1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea"	"O=C(NNC(=S)NC1CCCCC1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	3005199	""
"681630"	"681630"	"1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea"	"O=C(NNC(=S)NCc1ccccc1)c2csc(NC(=S)NC3CCCCC3)n2"	0	""	""	1	1	3005200	""
"681632"	"681632"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5ccc(O)cc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	54608935	""
"681633"	"681633"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CO)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608425	""
"681634"	"681634"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CC(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608402	""
"681635"	"681635"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CCSC)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608835	""
"681636"	"681636"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(C)N)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608427	""
"681637"	"681637"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)CN)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608404	""
"681638"	"681638"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C5CCCN5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	54608406	""
"681639"	"681639"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5c[nH]cn5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	54608937	""
"681640"	"681640"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)Cc5c[nH]c6ccccc56)c7ccccc7nc34)C2=O"	0	"TOP1"	""	2	2	54608408	""
"681641"	"681641"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)c5ccc(N)cc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	54601571	""
"681642"	"681642"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(N)CS)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608410	""
"681643"	"681643"	"Camptothecin Derivative"	"CCC(C)C(N)C(=O)N\N=C\c1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	""	2	2	54608412	""
"681644"	"681644"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C[N+](C)(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608939	""
"681645"	"681645"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C(=O)N)c5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	54608414	""
"681646"	"681646"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\NC(=O)C[n+]5ccccc5)c6ccccc6nc34)C2=O"	0	"TOP1"	""	2	2	54608429	""
"681682"	"681682"	"2,3,17.beta.-Triacetyloxyestra-1,3,5(10)-triene"	"CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)c(OC(=O)C)cc4[C@H]3CC[C@]12C"	0	NA	NA	1	1	NA	""
"681683"	"681683"	"2-Trifluoroethoxy-6-hydroxyiminoestra-1,3,5(10)-trien-3,..."	"C[C@]12CC[C@H]3[C@@H](C\C(=N/O)\c4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	4	2	NA	""
"681684"	"681684"	"2-Trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-..."	"C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)c(OCC(F)(F)F)cc34)[C@@H]1CC[C@@H]2O"	0	NA	NA	2	2	NA	""
"681690"	"681690"	"6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine"	"Clc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl"	0	""	""	1	1	5466206	""
"681692"	"681692"	"WDWFTRKUESNIEQ-UHFFFAOYSA-N"	"CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc12"	0	""	""	1	1	387666	""
"681693"	"681693"	"2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol"	"Cc1ccc(NC2=Nc3[nH]ccc3C(=O)N2)cc1"	0	""	""	1	1	135489824	""
"681699"	"681699"	"2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate"	"CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(=O)C)c3n2)cc1"	0	""	""	1	1	387674	""
"681703"	"681703"	"LS-126486"	"CCCCc1ccc(Nc2ncc3nc[nH]c3n2)cc1"	0	""	""	1	1	496196	""
"681709"	"681709"	"4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine"	"Nc1nc(Cl)cc(N=Nc2ccccc2)n1"	0	""	""	1	1	387683	""
"681710"	"681710"	"(5S,5As,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccccc4C(=O)c5ccccc5)c6cc7OCOc7cc26"	0	""	""	2	2	387684	""
"681711"	"681711"	"(5S,5As,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(Cl)cc4C(=O)c5ccccc5)c6cc7OCOc7cc26"	0	""	""	2	2	387685	""
"681712"	"681712"	"(5S,5As,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)c6cc7OCOc7cc26"	0	""	""	2	2	387686	""
"681713"	"681713"	"(5S,5As,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4C(=O)c5ccccc5)[N+](=O)[O-])c6cc7OCOc7cc26"	0	""	""	2	2	387687	""
"681719"	"681719"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)methyl]..."	"CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C"	0	""	""	2	2	387690	""
"681725"	"681725"	"2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile"	"N#CC(Nc1ccccc1)c2ccc(cc2)C(Nc3ccccc3)C#N"	0	""	""	1	1	387696	""
"681727"	"681727"	"2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile"	"CC(Nc1ccc(Oc2ccc(cc2)C(C)(C)c3ccc(Oc4ccc(NC(C)C#N)cc4)cc3)cc1)C#N"	0	""	""	1	1	387698	""
"681730"	"681730"	"2,2'-(1,3-phenylenebis(methylene))bis(azanediyl)bis(2-ph..."	"N#CC(NCc1cccc(CNC(C#N)c2ccccc2)c1)c3ccccc3"	0	""	""	1	1	387701	""
"681746"	"681746"	"N-[Cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide"	"O=C(N(CCOCCOCCN(C(C#N)c1ccccc1)C(=O)c2cccc3ccccc23)C(C#N)c4ccccc4)c5cccc6ccccc56"	0	""	""	1	1	387717	""
"681748"	"681748"	"N-[[3-[[Acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide"	"CCC(C#N)N(Cc1cccc(CN(C(CC)C#N)C(=O)C)c1)C(=O)C"	0	""	""	1	1	387719	""
"681750"	"681750"	"N-[[4-[10-[4-[[Acetyl(2-phenylethyl)amino]-cyanomethyl]phenoxy]decoxy]phenyl]-cyanomethyl]-N-(2-phenylethyl)acetamide"	"CC(=O)N(CCc1ccccc1)C(C#N)c2ccc(OCCCCCCCCCCOc3ccc(cc3)C(C#N)N(CCc4ccccc4)C(=O)C)cc2"	0	""	""	1	1	387721	""
"681758"	"681758"	"1H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1..."	"COc1ccc(cc1)N2C(c3cccc(c3)[N+](=O)[O-])C(C#N)(C#N)C(=C2N)C#N"	0	""	""	2	1	387729	""
"681761"	"681761"	"STL325708"	"NC1=C(C#N)C(C#N)(C#N)C(N1\N=C\c2ccccc2)c3ccccc3"	0	""	""	2	1	9556239	""
"681767"	"681767"	"STK760172"	"Nc1c(C#N)c(C#N)c(c2ccccc2)n1c3ccccc3"	0	""	""	1	1	387738	""
"681768"	"681768"	"XTEFRGALZMWBFT-UHFFFAOYSA-N"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3ccccc3"	0	""	""	1	1	387739	""
"681769"	"681769"	"STK763956"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	387740	""
"681770"	"681770"	"Cambridge id 5865107"	"Nc1c(C#N)c(C#N)c(c2cccc(c2)[N+](=O)[O-])n1c3ccccc3"	0	""	""	1	1	387741	""
"681771"	"681771"	"STK529683"	"Nc1c(C#N)c(C#N)c(c2occc2)n1c3ccccc3"	0	""	""	1	1	387742	""
"681772"	"681772"	"2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile"	"COc1ccc(cc1)n2c(N)c(C#N)c(C#N)c2c3occc3"	0	""	""	1	1	387743	""
"681774"	"681774"	""	"CC(C)\C=N\n1c(N)c(C#N)c(C#N)c1C(C)C"	0	NA	NA	1	1	NA	""
"681775"	"681775"	""	"Nc1c(C#N)c(C#N)c(c2ccccc2)n1\N=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"681776"	"681776"	"XNIVBTJMWLISEX-DJKKODMXSA-N"	"Nc1c(C#N)c(C#N)c(c2occc2)n1\N=C\c3occc3"	0	""	""	1	1	9571538	""
"681777"	"681777"	"STK676952"	"CC1C(C)(C(=C(C#N)C1(C#N)C#N)N)[N+](=O)[O-]"	0	""	""	1	1	387748	""
"681780"	"681780"	"4-Acetyl-3-amino-4-methyl-5-propylcyclopent-2-ene-1,1,2-tricarbonitrile"	"CCCC1C(C)(C(=O)C)C(=C(C#N)C1(C#N)C#N)N"	0	""	""	1	1	387751	""
"681782"	"681782"	"STL298328"	"CC1(C)CC2(C)OC(=N)C1(C#N)C2(C#N)C#N"	0	""	""	1	1	387753	""
"681784"	"681784"	"Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate"	"CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N"	0	""	""	1	1	387755	""
"681786"	"681786"	"KLXOIVABBVGCQQ-UHFFFAOYSA-N"	"CCOC(=O)C1C(c2ccccc2)C3(C#N)C(=N)OC1(C)C3(C#N)C#N"	0	""	""	1	1	387757	""
"681814"	"681814"	"4-[(E)-[1-[3-(2-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	"CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc3ccc(cc3)C(=O)O"	0	""	""	1	1	387760	""
"681820"	"681820"	"4-[(E)-[1-[3-(2-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid"	"COc1ccccc1NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(cc3)C(=O)O)C2=O"	0	""	""	1	1	387766	""
"681823"	"681823"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-dinitro-"	"[O-][N+](=O)c1cc2C(=O)c3scc(c3C(=O)c2s1)[N+](=O)[O-]"	0	""	""	2	2	387769	""
"681824"	"681824"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-nitro-"	"[O-][N+](=O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	387770	""
"681825"	"681825"	"Benzo[1,2-b:4,5-b']dithiophene, 4,8-diethoxy-"	"CCOc1c2ccsc2c(OCC)c3ccsc13"	0	""	""	2	2	387771	""
"681827"	"681827"	"DJAREVVDYFIGBP-UHFFFAOYSA-N"	"COc1c2ccsc2c(OC)c3ccsc13"	0	""	""	1	1	387773	""
"681850"	"681850"	"Piperidine-2,2,3,3-tetracarbonitrile, 1-(dimethylamino)-..."	"CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	2	2	387777	""
"681852"	"681852"	"2H-Cyclopenta[e]-1,2,4-triazine-6,6,7,7-tetracarbonitril..."	"CN1CNC2=C(C)C(C#N)(C#N)C(C#N)(C#N)C2=N1"	0	""	""	2	2	387779	""
"681856"	"681856"	""	"CN(C)NC1CC(=C(C#N)C1(C#N)C#N)C"	0	NA	NA	1	1	NA	""
"681858"	"681858"	"STL325606"	"CN(C)\N=C\1/CC(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	1	1	9571539	""
"681859"	"681859"	"4-Ethyl-3-(methylamino)-5-propylcyclopentane-1,1,2,2-tetracarbonitrile"	"CCCC1C(CC)C(NC)C(C#N)(C#N)C1(C#N)C#N"	0	""	""	1	1	387787	""
"681861"	"681861"	"Cyclopentane-1,1-2,2-tetracarbonitrile, 3-methyl- 5-(dim..."	"CC1C\C(=N/N(C)C)\C(C#N)(C#N)C1(C#N)C#N"	0	""	""	2	2	9556242	""
"681863"	"681863"	"STL321802"	"CC1CC2OC(=N)C1(C#N)C2(C#N)C#N"	0	""	""	1	1	387791	""
"681864"	"681864"	"NWSIKXMQUQTYMS-UHFFFAOYSA-N"	"CC(C)C1OC(=C(C#N)C1(C#N)C#N)N"	0	""	""	1	1	387792	""
"681865"	"681865"	"DWWNSYZALARLDF-UHFFFAOYSA-N"	"NC1=C(C#N)C(C#N)(C#N)C(O1)c2cccc(c2)[N+](=O)[O-]"	0	""	""	1	1	387793	""
"681866"	"681866"	"Furan-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-n..."	"NC1=C(C#N)C(C#N)(C#N)C(O1)c2ccc(cc2)[N+](=O)[O-]"	0	""	""	2	2	387794	""
"681879"	"681879"	"STK761190"	"CC1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3"	0	""	""	1	1	387807	""
"681880"	"681880"	"SAXXWQJHVLCOKN-UHFFFAOYSA-N"	"CC(C)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3"	0	""	""	1	1	387808	""
"681882"	"681882"	"STK529743"	"N=C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(O3)c4ccccc4"	0	""	""	1	1	387810	""
"681947"	"681947"	"Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate"	"CC(C)(C)OC(=O)NCC(=O)NC1[C@H](O)\C(=N/O)\c2sccc12"	0	""	""	1	1	9571977	""
"681952"	"681952"	""	"CC(C)(C)OC(=O)NCC(=O)NC1C\C(=N/O)\c2sccc12"	0	NA	NA	1	1	NA	""
"681953"	"681953"	""	"CO\N=C\1/CC(NC(=O)CNC(=O)OC(C)(C)C)c2ccsc12"	0	NA	NA	1	1	NA	""
"681962"	"681962"	""	"COc1cccc(c1)N=N\C(=N\NC(=O)c2cc(Cl)ccc2O)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681966"	"681966"	""	"Cc1ccc(cc1)N=N\C(=N\NC(=O)c2cc(Cl)ccc2C(=O)c3ccccc3)\c4ccc(cc4C)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681967"	"681967"	""	"Cc1cc(ccc1\C(=N/NC(=O)c2cc(Cl)ccc2C(=O)c3ccccc3)\N=Nc4ccc(cc4)[N+](=O)[O-])N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681968"	"681968"	"Benzoic acid, [[2-methyl-4-[bis(2-cyanoethyl)amino]pheny..."	"Cc1cc(ccc1\C=N\NC(=O)c2ccccc2)N(CCC#N)CCC#N"	0	""	""	2	2	9571551	""
"681969"	"681969"	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccccc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681970"	"681970"	""	"Cc1ccc(cc1)N=N\C(=N\NC(=O)c2ccccc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681971"	"681971"	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(Cl)cc3)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681972"	"681972"	""	"COc1ccc(cc1)N=N\C(=N\NC(=O)c2ccccc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681973"	"681973"	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(cc3)[N+](=O)[O-])N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"681974"	"681974"	""	"Cc1cc(ccc1\C(=N/NC(=O)c2ccccc2)\N=Nc3ccc(cc3)C(=O)O)N(CCC#N)CCC#N"	0	NA	NA	1	1	NA	""
"682002"	"682002"	"(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate"	"CC(=O)OCC1=CC(=O)N2C(=C1C#N)Nc3ccccc23"	0	""	""	1	1	387842	""
"682008"	"682008"	"STK110077"	"N#Cc1c2CCCCc2c(N3CCOCC3)n4c5ccccc5nc14"	0	""	""	1	1	387848	""
"682009"	"682009"	"STK108011"	"Cc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	1	1	387849	""
"682010"	"682010"	"STK108506"	"Clc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	387850	""
"682011"	"682011"	"Benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 7,8,9,10-..."	"Fc1ccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	387851	""
"682066"	"682066"	"Phosphorus(1+), bis(1,2-ethanediolato-O[5,10,15,20- tetr..."	"OCCO[P+]1(OCCO)N2\C\3=C(/C4=N\C(=C(\c5ccccc5)/c6ccc(\C(=C/7\C=CC(=N7)\C(=C/2\C=C3)\c8ccccc8)\c9ccccc9)n16)\C=C4)\c%10ccccc%10"	0	NA	NA	3	3	NA	"141998109"
"682067"	"682067"	"Phosphorus(1+) bis[[2,2'-oxybis(ethanolato)](1-)-O'] [5,..."	"OCCOCCO[P+]1(OCCOCCO)N2\C\3=C(/C4=N\C(=C(\c5ccccc5)/c6ccc(\C(=C/7\C=CC(=N7)\C(=C/2\C=C3)\c8ccccc8)\c9ccccc9)n16)\C=C4)\c%10ccccc%10"	0	NA	NA	2	2	NA	"159334675"
"682069"	"682069"	"6-Bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one"	"Clc1ccc(CN2CCc3c([nH]c4ccc(Br)cc34)C2=O)cc1"	0	""	""	1	1	387858	""
"682070"	"682070"	"S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate"	"NC(=O)SCC(=O)Nc1ccc2cccc3CCc1c23"	0	""	""	1	1	387859	""
"682072"	"682072"	"2-[(2,4-Dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole"	"Clc1ccc(C(OCn2ccnc2)c3nc4ccccc4[nH]3)c(Cl)c1"	0	""	""	1	1	387861	""
"682074"	"682074"	"13-Thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene"	"C1SCc2ccc3ccccc3c2c4c1ccc5ccccc45"	0	""	""	1	1	387863	""
"682077"	"682077"	"1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one hydrochloride"	"CCN(CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1"	0	""	""	1	1	387868	""
"682086"	"682086"	"2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione"	"COc1ccc(cc1)C2N3N(C(N(C3=O)c4ccc(F)cc4)c5ccc(OC)cc5)C(=O)N2c6ccc(F)cc6"	0	""	""	1	1	387871	""
"682094"	"682094"	"Quinolinium, 1,1'-(1,10-decanediyl)bis[(2-methyl- 4-(phe..."	"Cc1cc(NCc2ccccc2)c3ccccc3[n+]1CCCCCCCCCC[n+]4c(C)cc(NCc5ccccc5)c6ccccc46"	0	""	""	2	2	387881	""
"682095"	"682095"	"Quinolinium, 1,1'-(1,10-decanediyl)bis[4-(dimethylamino)..."	"CN(C)c1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(N(C)C)c3ccccc23)c4ccccc14"	0	""	""	2	2	387883	""
"682096"	"682096"	"Quinolinium, 4-amino-2-methyl-1-[10-[(2-methyl- 4-quinol..."	"[Cl-].[Cl-].Cc1cc(NCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc23)c4ccccc4n1"	0	""	""	2	2	387885	""
"682097"	"682097"	"1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]4c(C)cc(N)c5ccccc45)c6ccccc36"	0	""	""	1	1	387887	""
"682098"	"682098"	"2-Methyl-1-[10-(2-methyl-4-oxo-1-quinolyl)decyl]quinolin-4-one"	"CC1=CC(=O)c2ccccc2N1CCCCCCCCCCN3C(=CC(=O)c4ccccc34)C"	0	""	""	1	1	387889	""
"682127"	"682127"	"Benzene-1,3-bis(ethanedithioic acid), .alpha.,.alpha.'- ..."	"CCC(=O)c1cc(cc(c1)C(=O)C(=S)SC)C(=O)C(=S)SC"	0	""	""	2	2	387896	""
"682128"	"682128"	"4-[(2E)-2-Benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one"	"O=C1N\C(=N/N=C/c2ccccc2)\C(O1)c3ccccc3"	0	""	""	1	1	135493924	""
"682135"	"682135"	""	"O=C1[C@@H](OCc2ccccc2)[C@H](OCc3ccccc3)C(=C1S(=O)(=O)c4ccccc4)CS(=O)(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"682138"	"682138"	"1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione"	"Cc1c2C(=O)N(CCCCN3CCN(CC3)c4ccccc4)C(=O)c2c(C)n1c5ccccc5"	0	""	""	1	1	387906	""
"682139"	"682139"	""	"CCOC(=O)\C=C/[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]2COC(C)(C)O2"	0	NA	NA	1	1	NA	""
"682142"	"682142"	"3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(cc12)[N+](=O)[O-]"	0	""	""	1	1	387910	""
"682144"	"682144"	"[3-(Chloromethyl)-6-nitro-2,3-dihydro-1h-indol-1-yl](5,6,7-trimethoxy-1h-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	387911	""
"682148"	"682148"	"Methyl isonuapauanoate"	"COC(=O)C(C)C1CCC(C)(CCC2C(=C)CCCC2(C)C)OO1"	0	""	""	2	2	387914	""
"682220"	"682220"	""	"CC(C)CCC1(O)O[C@H]2C[C@H]3[C@@H]4CCC5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C"	0	NA	NA	1	1	NA	""
"682222"	"682222"	"4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione"	"CC1(C)CC(O)C2=C(O1)C(=O)c3ncccc3C2=O"	0	""	""	2	1	387917	""
"682223"	"682223"	"2H-Pyrano[3,2-g}quinoline-5,10-dione, 4-hydroxy- 2,2,6-t..."	"Cc1ccnc2C(=O)C3=C(C(O)CC(C)(C)O3)C(=O)c12"	0	""	""	2	1	387918	""
"682225"	"682225"	"ZB1337"	"CCOC(=O)C1=Nc2cc(Cl)ccc2NC1=O"	0	""	""	1	1	387920	""
"682234"	"682234"	"1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine"	"O=C(NCCCN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1)Nc4cccc5ccccc45"	0	""	""	1	1	387929	""
"682237"	"682237"	"3-(1-Naphthyl)-1-[8-(1-naphthylcarbamoylamino)octyl]urea"	"O=C(NCCCCCCCCNC(=O)Nc1cccc2ccccc12)Nc3cccc4ccccc34"	0	""	""	1	1	387932	""
"682241"	"682241"	"9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one"	"ClCCOCn1cnc2C(=O)N(C(=S)N(c3ccccc3)c12)c4ccccc4"	0	""	""	1	1	387936	""
"682242"	"682242"	"6H-Purin-6-one, 1,2,3,9-tetrahydro- 9-(tetrahydro-2-pyra..."	"O=C1N(C(=S)N(c2ccccc2)c3c1ncn3C4CCCCO4)c5ccccc5"	0	""	""	4	2	387937	""
"682293"	"682293"	"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)NCCc2cccc(OCc3ccccc3)c2)cc1"	0	""	""	1	1	387942	""
"682294"	"682294"	"3-(4-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide"	"Oc1ccc(CCC(=O)NCCc2cccc(O)c2)cc1"	0	""	""	1	1	387943	""
"682295"	"682295"	"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide"	"Oc1cccc(CCC(=O)NCCc2cccc(OCc3ccccc3)c2)c1"	0	""	""	3	2	387944	""
"682297"	"682297"	"Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine- 3,14-d..."	"CC[C@@]1(O)C(=O)N(CCN(C)C)CC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"682298"	"682298"	"Camptothecin Derivative"	"CCC1(N)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O"	0	"TOP1"	""	2	2	496212	""
"682301"	"682301"	"aniline, 2-bromo-4-(2-benzothiazolyl)-"	"Nc1ccc(cc1Br)c2nc3ccccc3s2"	0	""	""	3	3	387948	""
"682302"	"682302"	"WCISMKQERHOLSW-UHFFFAOYSA-N"	"Cc1ccc2nc(sc2c1)c3ccc(N)c(Br)c3"	0	""	""	1	1	387949	""
"682303"	"682303"	"2-(4-amino-3-chlorophenyl)benzothiazole"	"Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	3	3	387950	""
"682306"	"682306"	"N-[p-[N-(2,4,7-triamino-6-pteriddinylmethyl)-N-methylami..."	"CN(Cc1nc2c(N)nc(N)nc2nc1N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	387951	""
"682307"	"682307"	"Geodiamolide E"	"C[C@@H]1C[C@H](C)\C=C(/C)\CC(C)C(=O)NCC(=O)N(C)C(Cc2ccc(O)c(Br)c2)C(=O)N[C@H](C)C(=O)O1"	0	""	""	2	2	5469059	""
"682308"	"682308"	"Geodiamolide A"	"CC1CC(C)\C=C(\C)/CC(C)C(=O)NC(C)C(=O)N(C)C(Cc2ccc(O)c(I)c2)C(=O)NC(C)C(=O)O1"	0	""	""	2	2	5469060	""
"682309"	"682309"	"Geodiamolide D"	"CC1CC(C)\C=C(\C)/CC(C)C(=O)NCC(=O)N(C)C(Cc2ccc(O)c(I)c2)C(=O)NC(C)C(=O)O1"	0	""	""	2	2	5469061	""
"682335"	"682335"	"3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide"	"Cc1cc(O)ccc1C2(OC(=O)c3ccccc23)c4ccc(F)cc4"	0	""	""	2	2	387973	"148238453"
"682342"	"682342"	"Esulatin A"	"CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)[C@@H]2O[C@H]2[C@@H](C)C(=O)[C@]3(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)C1=C)OC(=O)C"	0	""	""	1	1	496216	"188640746"
"682345"	"682345"	"Aurantimycin B"	"COC[C@@H]1N(O)C(=O)[C@H]2CCCNN2C(=O)[C@@H](NC(=O)[C@@](C)(O)[C@]3(O)CC[C@@H](CC(C)C)[C@H](C)O3)[C@@H](OC(=O)[C@@H](C)N(O)C(=O)[C@@H]4CCC=NN4C(=O)CNC1=O)C(C)C"	0	""	""	2	2	387979	""
"682347"	"682347"	"Kumusine"	"CC1OC(n2cnc3c(N)nc(Cl)nc23)C(C)(O)C1O"	0	""	""	1	1	387981	"164672564"
"682352"	"682352"	"3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one"	"CN1C(=O)c2ccccc2C(O)(c3ccc(C)cc3)C1(O)c4ccc(C)cc4"	0	""	""	1	1	387986	""
"682353"	"682353"	"3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one"	"COc1ccc(cc1)C2(O)N(C)C(=O)c3ccccc3C2(O)c4ccc(OC)cc4"	0	""	""	1	1	387987	""
"682358"	"682358"	"N-[4-(Diethylaminomethyl)phenyl]acridin-9-amine"	"CCN(CC)Cc1ccc(Nc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	387995	""
"682359"	"682359"	"1-pentanol, 5-(9-acridinylamino)-"	"OCCCCCNc1c2ccccc2nc3ccccc13"	0	""	""	2	1	387996	""
"682361"	"682361"	"N'-Acridin-9-yl-N-ethylethane-1,2-diamine"	"CCNCCNc1c2ccccc2nc3ccccc13"	0	""	""	1	1	387998	""
"682363"	"682363"	"N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine"	"COc1ccc(CNc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1OC"	0	""	""	1	1	388000	""
"682365"	"682365"	"Methyl 4-[3-(2-thienyl)quinoxalin-2-yl]oxybenzoate"	"COC(=O)c1ccc(Oc2nc3ccccc3nc2c4cccs4)cc1"	0	""	""	1	1	388002	""
"682366"	"682366"	"Ethyl 3-[(4-fluorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccc(cc2nc1Nc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	388003	""
"682368"	"682368"	"3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid"	"COc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1"	0	""	""	1	1	388005	""
"682400"	"682400"	"(-)7,8-Dihydrocalanolide A"	"CCCC1=CC(=O)Oc2c3[C@H](O)[C@@H](C)[C@H](C)Oc3c4CCC(C)(C)Oc4c12"	0	NA	NA	1	1	NA	""
"682429"	"682429"	"2-(1-Propynyl)-3,17.beta.-estradiol"	"CC#Cc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O"	0	""	""	2	2	388008	""
"682432"	"682432"	"Methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate"	"COC(=O)NCCc1n[nH]c2C(=O)C(=CC(=O)c12)Nc3ccccc3"	0	""	""	1	1	388011	""
"682435"	"682435"	"(4Z)-2-Methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one"	"Cc1oc2C(=O)c3ccccc3\C(=N\c4ccccn4)\c2n1"	0	""	""	1	1	9571984	""
"682436"	"682436"	"Naphth[2,3-d]oxazol-9(4H)-one, 4-[(2-aminocyclohexyl) im..."	"Cc1oc2C(=O)c3ccccc3\C(=N\C4CCCCC4N)\c2n1"	0	""	""	2	2	388014	""
"682438"	"682438"	"TimTec1_007437"	"COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2"	0	""	""	1	1	135430309	""
"682439"	"682439"	""	"[N-]1C=Nc2[nH]c[n+]3[Au+](S=C1c23)P(c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"682440"	"682440"	""	"C1CCC(CC1)P([Au+]2S=C3[N-]C=Nc4[nH]c[n+]2c34)(C5CCCCC5)C6CCCCC6"	0	NA	NA	1	1	NA	""
"682441"	"682441"	"6h-purine-6-thione, 1,9-dihydro-, gold complex"	"CCP(CC)(CC)[Au+]1S=C2[N-]C=Nc3[nH]c[n+]1c23"	0	NA	NA	2	2	NA	""
"682442"	"682442"	"6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex"	"CCP(CC)(CC)[Au+]1S=C2[N-]C(=Nc3[nH]c[n+]1c23)N"	0	NA	NA	2	2	NA	""
"682443"	"682443"	"(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-Hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=N\O)\C\4=N/N"	0	""	""	1	1	135509229	""
"682444"	"682444"	"3.beta.-Acetoxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@](C)([C@@H](CC#N)[C@@H]3CC=C2C1)c4oc(C)nn4"	0	""	""	1	1	388019	""
"682447"	"682447"	"3.beta.-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17.alph..."	"CC(=O)N\N=C\1/NC(=O)C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C"	0	""	""	1	1	135509230	""
"682448"	"682448"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	388023	""
"682449"	"682449"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyet..."	"CC(O)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	388024	""
"682450"	"682450"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-[1-(acetylox..."	"CC(OC(=O)C)c1cc2C(=O)c3sccc3C(=O)c2s1"	0	""	""	2	2	388025	""
"682451"	"682451"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydr..."	"CC(O)c1cc2C(=O)c3scc(C(C)O)c3C(=O)c2s1"	0	""	""	2	2	388026	""
"682452"	"682452"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-diacetyl-"	"CC(=O)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(=O)C"	0	""	""	2	2	388027	""
"682453"	"682453"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	388028	""
"682455"	"682455"	"Tetra-p-anisidyl-oxalamidine"	"COc1ccc(N\C(=N/c2ccc(OC)cc2)\C(=N\c3ccc(OC)cc3)\Nc4ccc(OC)cc4)cc1"	0	""	""	1	1	388030	""
"682463"	"682463"	"Thiazolo[4,5-d]pyridazine, 4-chloro-2-phenyl-"	"Clc1nncc2sc(nc12)c3ccccc3"	0	""	""	3	2	388033	"164023512"
"682505"	"682505"	"2,4-Diethoxyestra-1,3,5(10)trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c(OCC)c1O"	0	NA	NA	1	1	NA	""
"682506"	"682506"	"Methanone, 3-(chloromethyl)-2,3-dihydro-6-(dimethylamino..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)N(C)C"	0	""	""	2	2	388045	""
"682518"	"682518"	""	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5nc(Nc6ccc(Cl)c(Cl)c6)nc(Cl)c45)cc1"	0	NA	NA	1	1	NA	""
"682519"	"682519"	""	"CCCCc1ccc(Nc2nc(OC)c3ncn(C4CC(O)C(CO)O4)c3n2)cc1"	0	NA	NA	1	1	NA	""
"682520"	"682520"	"9H-Purine, 2,6-dibromo-9-[2-deoxy- 3,5-O-bis(4-methylphe..."	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Br)nc(Br)nc45)cc1"	0	""	""	3	2	388059	""
"682522"	"682522"	"5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol"	"OCC1OC(CC1O)n2cnc3c(Cl)nc(Nc4ccccc4)nc23"	0	""	""	1	1	388061	""
"682534"	"682534"	"1H-Benzimidazole, 5,6-dichloro-2-(tetrahydro- 2-pyranyl)..."	"Clc1cc2nc([nH]c2cc1Cl)C3CCCCO3"	0	NA	NA	2	2	NA	""
"682535"	"682535"	"5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole"	"Clc1cc2ncn(C3CCCCO3)c2cc1Cl"	0	""	""	1	1	388072	""
"682546"	"682546"	"1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole"	"ClC(Cl)(Cl)C1CCOC1n2nnc3ccccc23"	0	""	""	1	1	388083	""
"682561"	"682561"	"Cardenolide 2"	"CC1OC(CC(O)C1O)O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](CC[C@]5(O)[C@@H]4C=C[C@]3(O)C2)C6=CC(=O)OC6"	0	""	""	2	1	388098	""
"682562"	"682562"	"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one"	"COc1ccc(cc1OC)C2=C(Cl)c3cc(OC)c(OC)cc3C2=O"	0	""	""	1	1	388099	""
"682563"	"682563"	"(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)isoquinoline-1,3-dione"	"O=C1NC(=O)c2ccccc2/C/1=C/c3ccc4OCOc4c3"	0	""	""	1	1	5469072	""
"682566"	"682566"	"Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate"	"COc1ccc(\C=C(/C(=O)OCC=C)\c2ccc(OC)c(OC)c2)cc1OC"	0	""	""	1	1	5469073	""
"682571"	"682571"	"3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone"	"Cc1ccc(C(=O)\C=C/2\Nc3ccccc3NC2=O)c(C)c1"	0	""	""	2	1	135403092	""
"682572"	"682572"	"STK526298"	"O\C(=C/C(=O)c1ccc(Cl)cc1)\C(=O)NN=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	5466242	""
"682573"	"682573"	"STL356502"	"O=C(Cc1ccccc1)N\N=C\2/C(=O)Nc3ccccc23"	0	""	""	1	1	388108	""
"682575"	"682575"	"Acetic acid, (1-acetyl-2,3-dihydro-2-oxo- 3-indolylidene..."	"COC(=O)\C=C\1/C(=O)N(C(=O)C)c2ccccc12"	0	""	""	2	2	5411409	""
"682576"	"682576"	"(3Z)-1-Acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one"	"CC(=O)N1C(=O)\C(=C/C(=O)c2ccc(Cl)cc2)\c3ccccc13"	0	""	""	2	1	5469074	""
"682577"	"682577"	"SMSF0005277"	"CC(=O)N1C(=O)\C(=C/C(=O)c2ccc(cc2)[N+](=O)[O-])\c3ccccc13"	0	""	""	1	1	2274420	""
"682582"	"682582"	"STL151178"	"[O-][N+](=O)c1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)\Nc2c1"	0	""	""	1	1	135403094	""
"682583"	"682583"	"CBDivE_014984"	"[O-][N+](=O)c1ccc2N\C(=C\C(=O)c3ccc(Cl)cc3)\C(=C/C(=O)c4ccc(Cl)cc4)\Nc2c1"	0	""	""	1	1	135489835	""
"682597"	"682597"	"2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol hydr..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\N)\c2cc1O"	0	NA	NA	2	2	NA	""
"682623"	"682623"	"N-(4-Aminobutyldiazenyl)-4-methylaniline"	"Cc1ccc(cc1)N=NNCCCCN"	0	""	""	1	1	388133	""
"682689"	"682689"	"2,4,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one"	"C[C@]12CC[C@H]3[C@@H](CCc4c(Br)c(O)c(Br)cc34)[C@@H]1CC(Br)C2=O"	0	NA	NA	1	1	NA	""
"682697"	"682697"	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)OCC2OC(CC2N=[N+]=[N-])N3C=C(C)C(=O)NC3=O"	0	NA	NA	1	1	NA	""
"682719"	"682719"	"(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid"	"COC1=C(Oc2c(CC(=O)O)cccc2C1=O)c3ccc(OC)cc3"	0	""	""	1	1	388155	""
"682720"	"682720"	"2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid"	"COC1=C(Oc2c(CC(=O)O)cccc2C1=O)c3cccs3"	0	""	""	1	1	388156	""
"682721"	"682721"	"8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one"	"COC1=C(Oc2c(CP(=O)(OC)OC)cccc2C1=O)c3ccccc3"	0	""	""	1	1	388157	""
"682744"	"682744"	"4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione"	"CCC(=O)N1NC(=O)C(CC)(CC)C1=O"	0	""	""	1	1	388179	""
"682746"	"682746"	"1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione"	"CCC1(CC)C(=O)NN(C(=O)c2ccc(Cl)cc2)C1=O"	0	""	""	1	1	388181	""
"682750"	"682750"	"1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione"	"CCC1(CC)C(=O)N(N(C(=O)c2ccc(Cl)cc2)C1=O)C(=O)c3ccccc3"	0	""	""	1	1	388185	""
"682751"	"682751"	"1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione"	"CCC1(CC)C(=O)N(N(C(=O)c2ccccc2Cl)C1=O)C(=O)c3ccc(Cl)cc3"	0	""	""	1	1	388186	""
"682756"	"682756"	"Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dion..."	"OC1(CCC2(CC1C(=O)c3ccc(Cl)cc3)CC(=O)Nc4ccccc4C2=O)c5ccc(Cl)cc5"	0	""	""	2	2	388188	""
"682758"	"682758"	"1'-hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"COc1ccc(cc1)C(=O)C2CC3(CCC2(O)c4ccc(OC)cc4)CC(=O)Nc5ccccc5C3=O"	0	""	""	1	1	388190	""
"682761"	"682761"	"Spiro[4H-1-benzazepine-4,1'-cyclohexane]-2,5(1H,3H)-dion..."	"Cc1ccc(cc1)C(=O)C2CC3(CCC2(O)c4ccc(C)cc4)CC(=O)Nc5ccccc5C3=O"	0	""	""	1	1	388193	"190334453"
"682762"	"682762"	"1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"OC1(CCC2(CC1C(=O)c3ccc4ccccc4c3)CC(=O)Nc5ccccc5C2=O)c6ccc7ccccc7c6"	0	""	""	1	1	388194	""
"682763"	"682763"	"1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione"	"OC1(CCC2(CC1C(=O)c3cccc4ccccc34)CC(=O)Nc5ccccc5C2=O)c6cccc7ccccc67"	0	""	""	1	1	388195	""
"682764"	"682764"	"Pyrido[3,2-d][1]benzazepin-6-one, 4-(4-chlorophenyl)-2-p..."	"Clc1ccc(cc1)c2cc(nc3c2CC(=O)Nc4ccccc34)c5ccccc5"	0	""	""	2	1	388196	""
"682765"	"682765"	"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 2-(4-chlorophen..."	"Clc1ccc(cc1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	1	388197	""
"682766"	"682766"	"2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"COc1ccc(cc1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	1	1	388198	""
"682767"	"682767"	"2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccccc4)c5cccs5"	0	""	""	1	1	388199	""
"682768"	"682768"	"2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one"	"O=C1Cc2c(cc(nc2c3ccccc3N1)c4ccc5ccccc5c4)c6ccccc6"	0	""	""	1	1	388200	""
"682769"	"682769"	"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 4-(3,4-dimethox..."	"COc1ccc(cc1OC)c2cc(nc3c2CC(=O)Nc4ccccc34)c5ccccc5"	0	""	""	2	2	388201	""
"682770"	"682770"	"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione"	"Clc1ccc(cc1)c2cc(nc3c2CC(=S)Nc4ccccc34)c5ccccc5"	0	""	""	1	1	3005206	""
"682771"	"682771"	"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-thione, 2-(4-chlorop..."	"Clc1ccc(cc1)c2cc(c3CC(=S)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	3005207	""
"682789"	"682789"	"4-Methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline"	"Cc1ccc(cc1)N=NNCCCCNN=Nc2ccc(C)cc2"	0	""	""	1	1	388204	""
"682803"	"682803"	"1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(CC1O[Si](C)(C)C(C)(C)C)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	388209	""
"682809"	"682809"	"tetraoxo[?]dione"	"O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C4=C1CC5=C(C4)CS(=O)(=O)C5"	0	""	""	3	2	388215	""
"682813"	"682813"	"1-Amino-3-(2-chloroethyl)-1-methyl-urea"	"CN(N)C(=O)NCCCl"	0	""	""	1	1	388219	""
"682814"	"682814"	""	"Cc1cn2cc(nc2s1)c3cccs3"	0	NA	NA	2	1	NA	""
"682815"	"682815"	"12H-7,11-Nitrilo-6H,20H-dibenzo[b,m][1,15,5,8,11] dioxat..."	"C1C\N=C\c2ccccc2OCc3cccc(COc4ccccc4\C=N\CCN1)n3"	0	""	""	2	2	388222	"146065614"
"682816"	"682816"	"10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene"	"C1Oc2ccccc2\C=N\c3ccc(cc3)\N=C\c4ccccc4OCc5cccc1n5"	0	""	""	1	1	388223	""
"682817"	"682817"	"7,10:11,14-Dietheno-28H-23,27-nitrilo-22H-dibenzo[b,p] [..."	"C1Oc2ccccc2\C=N\c3ccc(cc3)c4ccc(cc4)\N=C\c5ccccc5OCc6cccc1n6"	0	""	""	2	2	388224	""
"682821"	"682821"	"Propanimidoyl chloride, 2-methyl-N-[[[(3-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1cccc(C)c1)\Cl"	0	""	""	2	2	9556244	""
"682822"	"682822"	"Propanimidoyl chloride, 2-methyl-N-[[[(2-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1ccccc1C)\Cl"	0	""	""	2	2	9556245	""
"682823"	"682823"	"Propanimidoyl chloride, N-[[[(3,4-dichlorophenyl)amino] ..."	"CC(C)\C(=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)\Cl"	0	""	""	2	2	9556246	""
"682824"	"682824"	"Propanimidoyl chloride, N-[[[(3-chloro-4-fluorophenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1ccc(F)c(Cl)c1)\Cl"	0	""	""	2	2	9556247	""
"682825"	"682825"	"Propanimidoyl chloride, N-[[[(4-bromophenyl)amino] carbo..."	"CC(C)\C(=N\OC(=O)Nc1ccc(Br)cc1)\Cl"	0	""	""	2	2	9556248	""
"682826"	"682826"	"Propanimidoyl chloride, N-[[[(4-methoxy-3-methylphenyl) ..."	"CC\C(=N/OC(=O)Nc1ccc(OC)c(C)c1)\Cl"	0	NA	NA	2	2	NA	""
"682827"	"682827"	"Propanimidoyl chloride, 2-methyl- N-[[[[3-(trifluorometh..."	"CC(C)\C(=N\OC(=O)Nc1cccc(c1)C(F)(F)F)\Cl"	0	""	""	2	2	9556250	""
"682828"	"682828"	"Butanimidoyl chloride, N-[[[(4-fluorophenyl)amino] carbo..."	"CCC\C(=N/OC(=O)Nc1ccc(F)cc1)\Cl"	0	NA	NA	2	2	NA	""
"682829"	"682829"	"Propanimidoyl chloride, 2-methyl-N-[[[[4-(methoxy- carbo..."	"COC(=O)c1ccc(NC(=O)O\N=C(/Cl)\C(C)C)cc1"	0	""	""	2	2	9556252	""
"682830"	"682830"	"Ethanimidoyl chloride, N-[[[[4-(aminosulfonyl)- 3-methyl..."	"C\C(=N\OC(=O)Nc1ccc(c(C)c1)S(=O)(=O)N)\Cl"	0	""	""	2	2	5790897	""
"682831"	"682831"	"Butanimidoyl chloride, N-[[[(3-fluorophenyl)amino] carbo..."	"CCC\C(=N\OC(=O)Nc1cccc(F)c1)\Cl"	0	""	""	2	2	9556253	""
"682833"	"682833"	"Propanimidoyl chloride, N-[[[(4-methoxyphenyl)amino] car..."	"CC\C(=N/OC(=O)Nc1ccc(OC)cc1)\Cl"	0	NA	NA	2	2	NA	""
"682834"	"682834"	"Propanimidoyl chloride, N-[[[(2,4-difluorophenyl)amino] ..."	"CC\C(=N/OC(=O)Nc1ccc(F)cc1F)\Cl"	0	NA	NA	2	2	NA	""
"682835"	"682835"	"Propanimidoyl chloride, N-[[[(5-fluoro-2-methylphenyl) a..."	"CC(C)\C(=N\OC(=O)Nc1cc(F)ccc1C)\Cl"	0	""	""	2	2	9556257	""
"682836"	"682836"	"Propanimidoyl chloride, N-[[[[2-(trifluoromethoxy)phenyl..."	"CC\C(=N/OC(=O)Nc1ccccc1OC(F)(F)F)\Cl"	0	NA	NA	2	2	NA	""
"682838"	"682838"	"Propanimidoyl chloride, N-[[[(5-chloro-2-methoxyphenyl) ..."	"COc1ccc(Cl)cc1NC(=O)O\N=C(/Cl)\C(C)C"	0	""	""	2	2	9556260	""
"682839"	"682839"	"Propanimidoyl chloride, N-[[[[2-methoxy- 5-(trifluoromet..."	"COc1ccc(cc1NC(=O)O\N=C(\Cl)/C(C)C)C(F)(F)F"	0	NA	NA	2	2	NA	""
"682840"	"682840"	"Butanimidoyl chloride, N-[[[[4-(trifluoromethoxy)phenyl]..."	"CCC\C(=N/OC(=O)Nc1ccc(OC(F)(F)F)cc1)\Cl"	0	NA	NA	2	2	NA	""
"682841"	"682841"	""	"CC(C)\C(=N/OC(=O)NNc1ccccc1)\Cl"	0	NA	NA	2	2	NA	""
"682860"	"682860"	"[1]Benzopyrano[3,4-c]pyrazole, 3-(4-chlorophenyl)- 2,3-d..."	"Clc1ccc(cc1)C2NN=C3C2COc4ccccc34"	0	""	""	2	1	388249	""
"682861"	"682861"	"[1]Benzopyrano[3,4-c]pyrazole, 3-(4-chlorophenyl)- 2,3-d..."	"Clc1ccc(cc1)C2C3COc4ccccc4C3=NN2c5ccccc5"	0	""	""	2	2	388250	""
"682864"	"682864"	"4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine"	"NC1NC2=C(CCc3ccccc23)C(=N1)c4ccc(Cl)cc4"	0	""	""	2	2	388253	""
"682866"	"682866"	"Ethanone, 1-[7-(4-chlorophenyl)-5,6-dihydro-9-methyl- 7H..."	"CC(=O)C1=C(C)N2C(C3=C(N=C2S1)c4ccccc4CC3)c5ccc(Cl)cc5"	0	""	""	2	2	388255	""
"682868"	"682868"	"1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone"	"COc1ccc(cc1)C2N3C(=C(SC3=NC4=C2CCc5ccccc45)C(=O)C)C"	0	""	""	1	1	388257	""
"682869"	"682869"	"1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone"	"CC(=O)C1=C(C)N2C(C3=C(N=C2S1)c4ccccc4CC3)c5ccc(F)cc5"	0	""	""	1	1	388258	""
"682881"	"682881"	"Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate"	"CCOC(=O)N1CCN(CC1)C2=C(C#N)C(=S)N(C(=N2)C)c3ccccc3"	0	""	""	2	1	388267	""
"682915"	"682915"	"4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one"	"Nc1nc(N)c2Cc3c(C(=O)Nc2n1)n(Cc4ccc(Cl)cc4)c5ccccc35"	0	""	""	1	1	388274	""
"682923"	"682923"	"Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate"	"CCOC(=O)c1cnccc1CC2(C#N)N(C=Cc3ccccc23)C(=O)c4ccccc4"	0	""	""	1	1	388283	""
"682924"	"682924"	"8H-Isoquino[2,1-b][2,7]naphthyridin-8-one"	"O=C1N2C=Cc3ccccc3C2=Cc4ccncc14"	0	""	""	1	1	388284	""
"682931"	"682931"	"Diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate"	"CCOC(=O)C1=NN(c2ccc(cc2)[N+](=O)[O-])[C@@]3(C)C[C@@]4(N(N=C(N4c5ccccc5N13)C(=O)OCC)c6ccc(cc6)[N+](=O)[O-])c7ccccc7"	0	""	""	1	1	388290	""
"682932"	"682932"	"3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one"	"COc1ccc(cc1)c2cc(cc(n2)C3=Cc4ccccc4OC3=O)c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	388291	""
"682990"	"682990"	"Withafastuosin D diacetate"	"CC(=O)OC[C@H]([C@H]1CC(=C(COC(=O)C)C(=O)O1)C)C2CCC3C4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)C4CC[C@]23C"	0	NA	NA	2	2	NA	""
"682991"	"682991"	"Benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2,6-dinitro-"	"[O-][N+](=O)c1cc2C(=O)c3sc(cc3C(=O)c2s1)[N+](=O)[O-]"	0	""	""	2	2	388301	""
"682993"	"682993"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, dipropionate"	"CCC(=O)Oc1c2ccsc2c(OC(=O)CC)c3ccsc13"	0	""	""	2	2	388303	""
"682994"	"682994"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol,diester with but..."	"CCCC(=O)Oc1c2ccsc2c(OC(=O)CCC)c3ccsc13"	0	""	""	5	4	388304	""
"682995"	"682995"	"5,8-Quinolinedione, 2-methyl-"	"Cc1ccc2C(=O)C=CC(=O)c2n1"	0	""	""	2	2	388305	""
"682996"	"682996"	"AK136303"	"O=C1C=CC(=O)c2ncccc12"	0	""	""	2	2	388306	""
"682997"	"682997"	"2,8-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3ccc(C)nc3C(=O)c2c1"	0	""	""	1	1	388307	""
"682998"	"682998"	"2,7-Dimethylbenzo[g]quinoline-5,10-dione"	"Cc1ccc2C(=O)c3nc(C)ccc3C(=O)c2c1"	0	""	""	1	1	388308	""
"683039"	"683039"	"ERB-38 Immunotoxin"	""	0	NA	NA	2	2	NA	""
"683041"	"683041"	"5-Hexenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside"	"CC(=O)OCC1OC(OCCCCC=C)C=CC1OC(=O)C"	0	""	""	1	1	388309	""
"683042"	"683042"	"10-Undecenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside"	"CC(=O)OCC1OC(OCCCCCCCCCC=C)C=CC1OC(=O)C"	0	""	""	1	1	388310	""
"683048"	"683048"	"2,5,12-Trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate"	"Cc1c2Oc3ccccc3Oc2c(C)c4c[n+](C)ccc14"	0	""	""	2	2	388316	""
"683050"	"683050"	"(2,6-difluorophenyl)[?]"	"Fc1cccc(F)c1C2SCc3nc4cc5ccccc5cc4n23"	0	""	""	1	1	388318	""
"683054"	"683054"	"5a-Hydroxychromeno[2,3-b]chromen-12-one"	"OC12Oc3ccccc3C=C1C(=O)c4ccccc4O2"	0	""	""	1	1	388319	""
"683056"	"683056"	"2,5a-Dihydroxychromeno[2,3-b]chromen-12-one"	"Oc1ccc2OC3(O)Oc4ccccc4C=C3C(=O)c2c1"	0	""	""	1	1	388321	""
"683057"	"683057"	"1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one"	"Oc1cc(O)c2C(=O)C3=Cc4ccccc4OC3(O)Oc2c1"	0	""	""	1	1	388322	""
"683061"	"683061"	"Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2cc(ccc2nc1Nc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	388326	""
"683062"	"683062"	"3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid"	"COc1ccc(Nc2nc3ccc(cc3nc2C(=O)O)C(F)(F)F)cc1"	0	""	""	1	1	388327	""
"683069"	"683069"	"2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine"	"COc1cc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	2	388334	""
"683086"	"683086"	"Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl- 2-[[(2-quino..."	"CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc3ccccc3n2)B(O)O"	0	""	""	2	2	388335	""
"683125"	"683125"	"2-Ethoxy-6-(O-methyl)hydroxyiminoestra-1,3,5(10)-trien-3..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N\OC)\c2cc1O"	0	NA	NA	3	2	NA	""
"683138"	"683138"	""	"COC(=O)[C@H]1CO[C@H](N1C(=O)N2C=CC(=O)C[C@@H]2C)C(C)(C)C"	0	NA	NA	1	1	NA	""
"683140"	"683140"	""	"OCC(O)C(O)C(O)C(O)C(=O)NCCNc1ccc(NCCNC(=O)C(O)C(O)C(O)C(O)CO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	NA	NA	2	2	NA	""
"683201"	"683201"	"17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobut..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1OC(=O)CCCN)\C)\C)C2=O"	0	""	""	2	1	5469101	""
"683238"	"683238"	"2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide"	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN"	0	""	""	1	1	388354	""
"683239"	"683239"	"2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide"	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)NNc2ccccc2)C(=O)NNc3ccccc3"	0	""	""	1	1	388355	""
"683246"	"683246"	"(r,s)-roscovitine"	"CCC(CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1"	0	""	""	2	1	5097	""
"683247"	"683247"	"Acridine-4-carboxamide, 9-amino-5-methyl- N-[2-(dimethyl..."	"CN(C)CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12"	0	NA	NA	2	2	NA	""
"683248"	"683248"	""	"C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4ccccc4C(=O)c13)Cc5ccc(cc5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"683252"	"683252"	"(2-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"[O-][N+](=O)c1ccccc1COC(=O)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26"	0	""	""	1	1	5469103	""
"683253"	"683253"	"(4-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate"	"[O-][N+](=O)c1ccc(COC(=O)N2[C@H]3C#C\C=C/C#C[C@@H]4CCC[C@]35O[C@@]45c6ccccc26)cc1"	0	""	""	1	1	5469104	""
"683256"	"683256"	"1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea"	"[O-][N+](=O)C(F)(CCNC(=O)NCCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	388361	""
"683257"	"683257"	"Neuro_000419"	"[O-][N+](=O)C(F)(CN(COCN(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	3	2	388362	""
"683258"	"683258"	"1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-"	"[O-][N+](=O)C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	388363	""
"683259"	"683259"	"(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate"	"[O-][N+](=O)C(F)(CCOC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	388364	""
"683260"	"683260"	"3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol"	"OCC(O)COCC(F)([N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	1	388365	""
"683270"	"683270"	""	"[Na+].NC(Cc1ccc(cc1)S(=O)(=O)O)C(=O)NC(Cc2ccc(cc2)S(=O)(=O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"683272"	"683272"	""	"[Na+].NC(Cc1ccc(cc1)S(=O)(=O)O)C(=O)NC(Cc2ccc(cc2)S(=O)(=O)O)C(=O)NC(Cc3ccc(cc3)S(=O)(=O)O)C(=O)NC(Cc4ccc(cc4)S(=O)(=O)O)C(=O)O"	0	NA	NA	1	1	NA	""
"683288"	"683288"	""	"Cc1ccc(CC2=NNC(=O)N2\N=C/CC\C=N\N3C(=O)NN=C3Cc4ccc(C)cc4)cc1"	0	NA	NA	1	1	NA	""
"683289"	"683289"	""	"Clc1ccc(CC2=NNC(=O)N2\N=C/CC\C=N\N3C(=O)NN=C3Cc4ccc(Cl)cc4)cc1"	0	NA	NA	2	2	NA	""
"683324"	"683324"	"6-phenyl-5H-thiazolo[3,2-b][1,2,4]triazol-6-ol"	"OC1(CSc2ncnn12)c3ccccc3"	0	""	""	1	1	388416	""
"683326"	"683326"	"N-[6,7-Dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine"	"O\N=C/1\C(\Nc2c(OCc3c(COc4c(N1)cccc4)cc(Br)c(Br)c3)cccc2)=N\O"	0	""	""	2	2	135406861	""
"683328"	"683328"	"LS-123342"	"COc1ccc2nc(NC(=O)\C(=C\c3ccccc3)\C#N)sc2c1"	0	""	""	2	1	5469111	""
"683330"	"683330"	"2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one"	"NC1=NC(=C(N)C(=O)N1)NCCOCP(=O)(O)O"	0	""	""	2	1	135484993	""
"683332"	"683332"	"Spiro[2a,8a-epoxyanthra[2,3-b]oxirene- 2-(1aH),2'-naphth..."	"O[C@H]1[C@H]2O[C@H]2C3(Oc4cccc5cccc(O3)c45)[C@@]67O[C@@]16C(=O)c8ccccc8C7=O"	0	NA	NA	2	2	NA	""
"683334"	"683334"	"Pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile, 8-ch..."	"[O-][n+]1nc2c(cnn2c3cc(Cl)ccc13)C#N"	0	""	""	2	2	388426	""
"683339"	"683339"	"LS-134106"	"CCOC(=O)c1cc(C)nc2N(CCCCN3CCN(CC3)c4ccccc4)C(=O)N(C(=O)c12)c5ccccc5"	0	""	""	1	1	388430	""
"683341"	"683341"	"ZTMWQBSJCZHMJR-UHFFFAOYSA-N"	"COc1ccc(cc1OC)c2ncnc(n2)c3ccc(OC)c(OC)c3"	0	""	""	1	1	388432	""
"683365"	"683365"	"9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one"	"COc1cc(OC)c2c(O)c3C(=O)CC(C)(C)Cc3cc2c1"	0	""	""	2	1	388439	""
"683374"	"683374"	"1-Benzoyl-3-nitroso-3-methylguanidine"	"CN(N=O)C(=N)NC(=O)c1ccccc1"	0	""	""	1	1	388447	""
"683384"	"683384"	"4-Methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one"	"CC1CC(=O)Nc2nc3ccccc3n12"	0	""	""	1	1	388454	""
"683389"	"683389"	"2,4,4-Trimethyl-3H-pyrimido[1,2-a]benzimidazole"	"CC1=Nc2nc3ccccc3n2C(C)(C)C1"	0	""	""	1	1	388459	""
"683398"	"683398"	"1H-Benz[g]indole-2,3-dimethanol, (1-methylethyl)carbamat..."	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3ccccc23"	0	""	""	2	2	388462	""
"683399"	"683399"	"[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3cc(Cl)c(Cl)cc23"	0	""	""	1	1	388463	""
"683402"	"683402"	"[2-(Isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate"	"COc1ccc2c(ccc3c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n(C)c23)c1"	0	""	""	1	1	388466	""
"683403"	"683403"	"[2-(Cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate"	"Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC3CCCCC3)c4ccc5ccccc5c14"	0	""	""	1	1	388467	""
"683404"	"683404"	"[7,8-Dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methylbenzo[g]indol-3-yl]methyl N-cyclohexylcarbamate"	"Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC3CCCCC3)c4ccc5cc(Cl)c(Cl)cc5c14"	0	""	""	1	1	388468	""
"683405"	"683405"	"[7,8-Dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate"	"Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc3ccccc3)c4ccc5cc(Cl)c(Cl)cc5c14"	0	""	""	1	1	388469	""
"683410"	"683410"	"[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate"	"CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c5cccc6C(=O)c7ccccc7Nc56"	0	""	""	1	1	388470	""
"683414"	"683414"	"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(cn5C)[N+](=O)[O-])cc4)c6cc7OCOc7cc26"	0	""	""	2	2	5469120	""
"683415"	"683415"	"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(cn5C)[N+](=O)[O-])cc4)c6cc7OCOc7cc26"	0	""	""	2	2	5469121	""
"683416"	"683416"	"1H-Pyrrole-2-carboxamide, N-[2-[[[4-[[5,5a,6,8,8a,9-hexa..."	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(NC(=O)c5cc(NC(=O)c6cc(cn6C)[N+](=O)[O-])cn5C)cc4)c7cc8OCOc8cc27"	0	""	""	2	2	5469122	""
"683440"	"683440"	"4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol"	"C[N+]1([O-])CCC(O)(CC1)C2CC2"	0	""	""	1	1	388485	""
"683478"	"683478"	"4-{[6-(2-Fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoic acid"	"OC(=O)CCCOc1cc(nc2cc3OCOc3cc12)c4ccccc4F"	0	""	""	1	1	388495	""
"683479"	"683479"	"Ethyl 4-{[6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoate"	"CCOC(=O)CCCOc1cc(nc2cc3OCOc3cc12)c4ccccc4F"	0	""	""	1	1	388496	""
"683481"	"683481"	"Entilin A"	"CC(C)[C@@]12C[C@@H]3[C@@](C)(C[C@@]4(O)C[C@@]35O[C@]6(O)C(=CC(C)(C)[C@@H](O4)[C@]6(O)[C@H]5O1)C)[C@@H](O2)c7cocc7"	0	NA	NA	1	1	NA	""
"683483"	"683483"	"Butanedial, 2-[2-[octahydro-5,5,8a-trimethylspiro[naphth..."	"CC1(C)CCC[C@@]2(C)C1CC[C@@]3(CO3)[C@@H]2\C=C/C(CC=O)C=O"	0	NA	NA	2	1	NA	""
"683497"	"683497"	"15-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-12-one"	"Clc1ccc2c(c1)C(=O)N3CSCC3c4nncn24"	0	""	""	1	1	388513	""
"683507"	"683507"	"3-Phenylthieno[2,3-b]pyrrolizin-8-one"	"O=C1c2cccn2c3c(csc13)c4ccccc4"	0	""	""	1	1	388523	""
"683508"	"683508"	"3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Fc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	1	1	388524	""
"683509"	"683509"	"3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Clc1ccc(cc1)c2csc3C(=O)c4cccn4c23"	0	""	""	1	1	388525	""
"683510"	"683510"	"2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one"	"Fc1ccc(cc1)c2cc3c(s2)C(=O)c4cccn34"	0	""	""	1	1	388526	""
"683513"	"683513"	""	"Cc1sc2c(\C(=N/O)\c3cccn23)c1C"	0	NA	NA	1	1	NA	""
"683515"	"683515"	""	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccccc5)c24"	0	NA	NA	1	1	NA	""
"683516"	"683516"	""	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccc(F)cc5)c24"	0	NA	NA	1	1	NA	""
"683517"	"683517"	"8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methy..."	"C[N+]12C=CC=C1C(N3CCCC3)c4scc(c5ccc(Br)cc5)c24"	0	""	""	2	2	388536	""
"683518"	"683518"	""	"COc1ccc(cc1)c2csc3C(N4CCCC4)C5=CC=C[N+]5(C)c23"	0	NA	NA	1	1	NA	""
"683555"	"683555"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N/c5ccc(N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)cc5)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	388554	""
"683556"	"683556"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N/c5ccc(N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)cc5)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	388555	""
"683557"	"683557"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\c5ccccc5N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	388556	""
"683558"	"683558"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\c5ccccc5N[C@H]6[C@H]7COC(=O)[C@@H]7[C@H](c8cc(OC)c(O)c(OC)c8)c9cc%10OCOc%10cc69)c%11ccccc%11nc34)C2=O"	0	"TOP1"	""	2	2	388557	""
"683564"	"683564"	"2-Butenoic acid, 4,4-dicyano-4-[[(3-thienyl)methylene]am..."	"COC(=O)\C=C/C(\N=C\c1ccsc1)(C#N)C#N"	0	NA	NA	2	2	NA	""
"683566"	"683566"	""	"CO\C(=C(\N=C\c1ccc2ccccc2c1)/C#N)\N"	0	NA	NA	1	1	NA	""
"683582"	"683582"	"(5R,8Ar,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)c6occc6)c7cc8OCOc8cc27"	0	""	""	2	2	388571	""
"683583"	"683583"	"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)C(C)C)c6cc7OCOc7cc26"	0	""	""	2	1	388572	""
"683584"	"683584"	"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-on"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)[C@@H](OC4OC5COC(OC5C(O)C4O)C(C)C)c6cc7OCOc7cc26"	0	""	""	1	1	388573	""
"683592"	"683592"	"STK701172"	"CN(C)N=Nc1nc2N(C)C(=O)N(C)C(=O)c2n1C"	0	""	""	1	1	5469134	""
"683605"	"683605"	""	"NC(=O)c1nc[nH]c1N\N=C(\C#N)/C(=O)Nc2ccccc2"	0	NA	NA	1	1	NA	""
"683608"	"683608"	""	"Cc1ccccc1NC(=O)\C(=N/Nc2[nH]cnc2C(=O)N)\C#N"	0	NA	NA	1	1	NA	""
"683614"	"683614"	"3-[Methyl-(4-nitrophenyl)azo-amino]-1-phenyl-butan-2-ol"	"CC(C(O)Cc1ccccc1)N(C)N=Nc2ccc(cc2)[N+](=O)[O-]"	0	""	""	1	1	388606	""
"683627"	"683627"	"3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenylpyridin-2-amine"	"Nc1nc(cc(c2ccc(F)cc2)c1c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	388616	""
"683628"	"683628"	"3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine"	"COc1ccc(cc1)c2cc(nc(N)c2c3ccc(F)cc3)c4ccncc4"	0	""	""	1	1	388617	""
"683631"	"683631"	""	"CN(C)CCNc1ncnc2nc(c3ccccc3)c(nc12)c4ccccc4"	0	NA	NA	1	1	NA	""
"683633"	"683633"	""	"CN(C)CCNc1nc(nc2[nH]cnc12)c3ccc4ccccc4c3"	0	NA	NA	1	1	NA	""
"683637"	"683637"	"4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol"	"Oc1ccc(cc1O)c2nc(c3cccnc3)c([nH]2)c4ccc(Cl)cc4"	0	""	""	1	1	388626	""
"683638"	"683638"	"6'-phenyl-4,2':4',4''-terpyridine"	"c1ccc(cc1)c2cc(cc(n2)c3ccncc3)c4ccncc4"	0	""	""	1	1	388627	""
"683640"	"683640"	"4-(4-Methoxyphenyl)-3-naphthalen-2-yl-6-phenylpyridin-2-amine"	"COc1ccc(cc1)c2cc(nc(N)c2c3ccc4ccccc4c3)c5ccccc5"	0	""	""	1	1	388629	""
"683641"	"683641"	"2-Amino-3-(4-chlorophenyl)-4-fluoronaphthalene-1-carbonitrile"	"Nc1c(C#N)c2ccccc2c(F)c1c3ccc(Cl)cc3"	0	""	""	1	1	388630	""
"683643"	"683643"	"6-Amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione"	"COc1ccc(CC2=C(N)NC(=O)N(C)C2=O)cc1"	0	""	""	1	1	388631	""
"683648"	"683648"	"Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-"	"Clc1ccc(cc1)N=NC2=CC(=O)NC(=O)N2"	0	""	""	3	2	388636	""
"683656"	"683656"	"N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine"	"Nc1nc(NCc2ccccc2)cc(NCc3ccccc3)n1"	0	""	""	1	1	388644	""
"683659"	"683659"	"2-Azabicyclo[16.3.1]docos-1(21),4,6,10,18-pentaen- 3,20,..."	"CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	""	""	2	2	5469144	""
"683661"	"683661"	"2-Azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CN)\C)\C)C2=O"	0	""	""	2	2	5469145	""
"683662"	"683662"	"2-Azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CN(C)C)\C)\C)C2=O"	0	""	""	2	2	5469147	""
"683663"	"683663"	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate"	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCN)\C)\C)C2=O"	0	""	""	1	1	5469149	""
"683664"	"683664"	"2-Azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene- 3,2..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCN(C)C)\C)\C)C2=O"	0	""	""	2	2	5469151	""
"683666"	"683666"	"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate"	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@H]1OC(=O)CCCCN)\C)\C)C2=O"	0	""	""	1	1	5469153	""
"683682"	"683682"	"2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride"	"C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4c(O)ccc(O)c4C(=O)c13)Cc5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	388664	""
"683683"	"683683"	""	"CN(C)CCNc1ccc(NCC[N+](C)(C)Cc2ccc(cc2)[N+](=O)[O-])c3C(=O)c4c(O)ccc(O)c4C(=O)c13"	0	NA	NA	1	1	NA	""
"683688"	"683688"	"Estra-1,3,5(10)-triene-3,6,17.beta.-triol, 2-ethoxy-"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(O)c2cc1O"	0	NA	NA	2	2	NA	""
"683690"	"683690"	"Dichapetalin A"	"C\C(=C/[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23C=C[C@@H]5[C@@]6(C)CC=C7C[C@H](OC[C@]7(C)[C@@H]6C[C@@H](O)[C@@]45C)c8ccccc8)C(=O)O1)\CO"	0	NA	NA	2	2	NA	""
"683692"	"683692"	"Glutamamide, N-acetyl-1-O-(phenylmethyl)-.alpha.-muramoy..."	"CC(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	NA	NA	2	2	NA	""
"683694"	"683694"	"2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide"	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(C)(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCNC3c4ccccc4Nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	388676	""
"683695"	"683695"	"2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide"	"CC(NC(=O)COC1C(O)C(CO)OC(C)(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	388677	""
"683746"	"683746"	"N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	"O=C1NC(=O)\C(=C\c2ccc(cc2)S(=O)(=O)N\N=C\c3ccccc3)\N1"	0	""	""	1	1	9571571	""
"683747"	"683747"	"N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide"	"CN1C(=O)N\C(=C/c2ccc(cc2)S(=O)(=O)N\N=C\c3ccccc3)\C1=O"	0	""	""	1	1	9571572	""
"683762"	"683762"	""	"CN1C(=O)N\C(=C/c2ccc(cc2)S(=O)(=O)N(\N=C/C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)C)C(=O)C)\C1=O"	0	NA	NA	1	1	NA	""
"683764"	"683764"	"[(5E)-5-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4-triacetyloxypentyl] acetate"	"CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)\C=N\N(C(=O)C)S(=O)(=O)c1ccc(\C=C\2/NC(=O)NC2=O)cc1"	0	""	""	1	1	9579059	""
"683766"	"683766"	"Benzoic acid, 4-[[(2-bromi-3,6-dioxo-1,4-cyclohexadienyl..."	"BrC1=C(CNc2ccc(cc2)C(=O)OC34CC5CC(CC(C5)C3)C4)C(=O)C=CC1=O"	0	""	""	1	1	388707	""
"683774"	"683774"	"Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CCC(NC(=O)C(N)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	388713	""
"683775"	"683775"	"Diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](NC(=O)[C@H](N)Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	388715	""
"683776"	"683776"	"Ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	388717	""
"683777"	"683777"	"Ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid"	"CCOC(=O)CC[C@H](N)C(=O)N[C@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)OCC"	0	""	""	2	2	388719	""
"683782"	"683782"	"Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate"	"CCOC(=O)C(Cc1ccc(cc1)N(CCCl)CCCl)NC(=O)CCCN2C(=O)CN=C(c3ccccc3)c4cc(Cl)ccc24"	0	""	""	2	2	388729	""
"683784"	"683784"	"[(E)-[(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate"	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\OC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CCC34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	2	2	9571993	""
"683785"	"683785"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 5-methoxy-"	"COc1ccc2nc3C(=O)c4cccnc4c5nccc(c2c1)c35"	0	""	""	2	2	388732	"143370234"
"683786"	"683786"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 10-methoxy-"	"COc1ccnc2c3nccc4c5ccccc5nc(C(=O)c12)c34"	0	""	""	2	2	388733	""
"683787"	"683787"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-methyl-"	"Cc1cc2c3ccccc3nc4C(=O)c5cccnc5c(n1)c24"	0	""	""	2	2	4297981	""
"683788"	"683788"	"5H-Quino[6,7,8-ij][2,7]naphthridin-5-one"	"O=C1c2cccnc2c3nccc4ccnc1c34"	0	""	""	2	2	388734	""
"683789"	"683789"	"11-Phenyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6ccccc6"	0	""	""	1	1	388735	""
"683790"	"683790"	"11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione"	"CCN(CC)CCc1c2C(=O)c3ncccc3C(=O)c2nc4ccccc14"	0	""	""	1	1	388736	""
"683791"	"683791"	"4,4'-Bipiperidine, 1-[(6-methoxy-2-naphthalenyl)methyl]-..."	"COc1ccc2cc(CN3CCC(CC3)C4CCNCC4)ccc2c1"	0	""	""	3	2	388737	""
"683792"	"683792"	"4,4'-Bipiperidine, 1,1'-bis[(6-methoxy- 2-naphthalenyl)m..."	"COc1ccc2cc(CN3CCC(CC3)C4CCN(Cc5ccc6cc(OC)ccc6c5)CC4)ccc2c1"	0	""	""	2	2	388739	""
"683827"	"683827"	""	"CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"683828"	"683828"	""	"CCN(CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1"	0	NA	NA	1	1	NA	""
"683831"	"683831"	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(Oc3ccc(C)cc3)cc2)c4ccc(Oc5ccc(C)cc5)cc4"	0	NA	NA	1	1	NA	""
"683833"	"683833"	"2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone"	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1CN5CCCCC5"	0	""	""	1	1	6052863	""
"683834"	"683834"	""	"CN(C)Cc1cc(\C=C/2\CCC\C(=C\c3ccc(O)c(CN(C)C)c3)\C2=O)ccc1O"	0	NA	NA	3	1	NA	""
"683835"	"683835"	"2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone"	"Oc1ccc(\C=C/2\CCC\C(=C\c3ccc(Cl)c(Cl)c3)\C2=O)cc1"	0	""	""	1	1	5905419	""
"683838"	"683838"	"2,2-Dimethylspiro[1,3-dioxolane-5,8'-bicyclo[4.2.0]octane]-4,7'-dione"	"CC1(C)OC(=O)C2(O1)C3CCCCC3C2=O"	0	""	""	1	1	388760	""
"683839"	"683839"	"2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide"	"CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N\N=C\2/CC3CCC2(C)C3(C)C"	0	""	""	1	1	5910589	""
"683842"	"683842"	"5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole"	"COc1cc(cc(OC)c1OC)C(C2SCCCS2)c3ccc4OCOc4c3"	0	""	""	1	1	388764	""
"683852"	"683852"	""	"FC(F)(F)C(=O)NCCCNCCCCNCCCNC(=O)C(F)(F)F"	0	NA	NA	1	1	NA	""
"683855"	"683855"	""	"COC(=O)[C@@H]1Cc2ccc(OC)c(OCCC(=O)N1)c2"	0	NA	NA	1	1	NA	""
"683856"	"683856"	"1,3-Bis[(E)-(4-bromophenyl)methyleneamino]urea"	"Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1"	0	""	""	1	1	9571579	""
"683859"	"683859"	""	"COC(=O)c1c2[C@@H]3OC(C)(C)O[C@@H]3Cn2c4ccccc14"	0	NA	NA	2	1	NA	""
"683860"	"683860"	""	"CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c2c3[C@@H]4OC(C)(C)O[C@@H]4Cn3c5ccccc25"	0	NA	NA	1	1	NA	""
"683863"	"683863"	"Irofulven"	"CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	"Apo|AlkAg|RDI"	"FDA approved"	2	2	148189	""
"683864"	"683864"	"Temsirolimus"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO"	0	"PK:STK,MTOR"	"FDA approved"	5	2	NA	"162635043"
"683890"	"683890"	"5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile"	"Nc1oc(COCc2ccccc2)nc1C#N"	0	""	""	1	1	388803	""
"683897"	"683897"	""	"C[C@H](NC(=O)CNC(=O)c1cc(C)cc2Sc3cc(C)cc(C(=O)NCC(=O)N[C@@H](C)C(=O)OCc4ccccc4)c3Oc12)C(=O)OCc5ccccc5"	0	NA	NA	1	1	NA	""
"683900"	"683900"	"3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone"	"Cc1ccsc1\C=N\Nc2ccccn2"	0	""	""	1	1	9556267	""
"683901"	"683901"	"3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone"	"Cc1ccsc1\C=N\Nc2ncccn2"	0	""	""	1	1	9556268	""
"683902"	"683902"	"2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone"	"Cc1ccsc1\C=N\Nc2cnccn2"	0	""	""	1	1	9556269	""
"683903"	"683903"	"STK029050"	"Cc1ccsc1\C=N\Nc2nc3ccccc3s2"	0	""	""	1	1	9556270	""
"683905"	"683905"	"3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone"	"Cc1ccsc1\C=N\Nc2ccc3ccccc3n2"	0	""	""	1	1	9556272	""
"683906"	"683906"	"3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone"	"Cc1ccsc1\C=N\Nc2cc(C)c3ccccc3n2"	0	""	""	1	1	9556273	""
"683907"	"683907"	"3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccc2nc(N\N=C\c3sccc3C)cc(C)c2c1"	0	""	""	1	1	9556274	""
"683908"	"683908"	"3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccsc1\C=N\Nc2cc(C)c3cccc(C)c3n2"	0	""	""	1	1	9556275	""
"683909"	"683909"	"3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2nc(N\N=C\c3sccc3C)cc(C)c2c1"	0	""	""	1	1	9556276	""
"683910"	"683910"	"3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2c(C)cc(N\N=C\c3sccc3C)nc2c1"	0	""	""	1	1	9556277	""
"683911"	"683911"	"5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone"	"Cc1ccc(\C=N\NC2=NCCN2)s1"	0	""	""	1	1	9556278	""
"683912"	"683912"	"5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone"	"Cc1ccc(\C=N\Nc2ccccn2)s1"	0	""	""	2	1	9556279	""
"683915"	"683915"	"5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone"	"Cc1ccc(\C=N\Nc2nc3ccccc3s2)s1"	0	""	""	1	1	9556282	""
"683917"	"683917"	"AB01321011-02"	"Cc1ccc(\C=N\Nc2ccc3ccccc3n2)s1"	0	""	""	1	1	9556284	""
"683918"	"683918"	"AB01329105-02"	"Cc1ccc(\C=N\Nc2cc(C)c3ccccc3n2)s1"	0	""	""	1	1	9556285	""
"683920"	"683920"	"5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone"	"Cc1ccc(\C=N\Nc2cc(C)c3cccc(C)c3n2)s1"	0	""	""	1	1	9556287	""
"683921"	"683921"	"5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2nc(N\N=C\c3ccc(C)s3)cc(C)c2c1"	0	""	""	1	1	9556288	""
"683922"	"683922"	"5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone"	"COc1ccc2c(C)cc(N\N=C\c3ccc(C)s3)nc2c1"	0	""	""	2	1	9556289	""
"684033"	"684033"	"1-Amino-5-sulfanyl-triazole-4-carbohydrazide"	"NNC(=O)c1nnn(N)c1S"	0	""	""	1	1	3001883	""
"684035"	"684035"	"5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide"	"CNC(=S)c1nnsc1N"	0	""	""	1	1	2771457	""
"684036"	"684036"	"N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine"	"CN(N)N=Nc1[nH]cnc1[N+](=O)[O-]"	0	""	""	1	1	135493927	""
"684038"	"684038"	"1H-Imidazole-4-carboxamide, 5-thiocyanato-"	"NC(=O)c1nc[nH]c1SC#N"	0	""	""	2	2	388844	""
"684041"	"684041"	"5-(Methylthio)-1H-imidazole-4-carbothioamide"	"CSc1[nH]cnc1C(=S)N"	0	""	""	1	1	3005221	""
"684043"	"684043"	"Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-"	"NC(CSN=Nc1[nH]cnc1C(=O)N)C(=O)O"	0	""	""	2	2	135493928	""
"684044"	"684044"	"STL436927"	"CCOC(=O)c1nc[nH]c1N=NN(C)N"	0	""	""	1	1	135493929	""
"684045"	"684045"	"STL445932"	"CN1C(=O)N(C)c2nc(N=O)[nH]c2C1=O"	0	""	""	1	1	388851	""
"684046"	"684046"	"Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl..."	"CNC(=S)\C(=N/Nc1[nH]cnc1C(=O)N)\C(=S)N"	0	NA	NA	2	2	NA	""
"684047"	"684047"	"1H-Imidazole-4-carboxamide, 5-(3-methyl-1-tetrazenyl)-"	"CN(N)N=Nc1[nH]cnc1C(=O)N"	0	""	""	2	2	135493930	""
"684049"	"684049"	"STL436921"	"CCOc1nnnc2[nH]cnc12"	0	""	""	1	1	5466296	""
"684051"	"684051"	"STL445833"	"Cc1csc(n1)n2nc(C)cc2C"	0	""	""	1	1	388857	""
"684052"	"684052"	"5-[(E)-Dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one"	"CN(C)N=Nc1ccc2NC(=O)Nc2c1"	0	""	""	1	1	388858	""
"684054"	"684054"	"Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)..."	"CC(=O)NC(CSN=Nc1[nH]cnc1C(=O)N)C(=O)O"	0	""	""	2	2	135493932	""
"684057"	"684057"	""	"NC(=O)c1nnn(c1O)c2ccccc2"	0	NA	NA	1	1	NA	""
"684059"	"684059"	"3-Methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1n2cccc2"	0	""	""	2	1	388866	""
"684067"	"684067"	"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione"	"O=C1CCC(=O)N1N2C(=O)NN=C2Cc3ccccc3"	0	""	""	1	1	388874	""
"684074"	"684074"	"7H-5,6-Dithioleno[4,3-d]uracil"	"O=C1NC2=C(SSC2)C(=O)N1"	0	""	""	2	2	388876	""
"684105"	"684105"	"2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole"	"Cc1ccc(CCCCCOc2ccc(cc2)C3=NCCO3)s1"	0	""	""	1	1	388877	""
"684106"	"684106"	"1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-"	"Cc1cc(C(=O)CCCCOc2ccc(cc2)C3=NCCO3)c(C)n1C"	0	""	""	1	1	388878	""
"684109"	"684109"	""	"Clc1nc2SCCn2c1\C=C\c3cccs3"	0	NA	NA	1	1	NA	""
"684111"	"684111"	"1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide"	"COc1nc(C(=O)NNC(=O)c2nc(OC)c3ccccc3c2c4ccccc4)c(c5ccccc5)c6ccccc16"	0	""	""	1	1	388886	""
"684112"	"684112"	"2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one"	"COc1cc2CCCN3C(=O)c4ccccc4C=C3c2cc1OC"	0	""	""	2	2	388887	""
"684113"	"684113"	"10-(4-Bromophenyl)-5-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one"	"CCn1cc2C(=O)N3N=CN(C3=Nc2n1)c4ccc(Br)cc4"	0	""	""	1	1	388888	""
"684118"	"684118"	"Pyrido[3,4-g]quinoline-5,10-dione, 1,4-dihydro- 1-(dimet..."	"CC1C=CN(N(C)C)C2=C1C(=O)c3cnccc3C2=O"	0	""	""	2	2	388892	""
"684119"	"684119"	"Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate"	"COC(=O)C1C=CN(N(C)C)C2=C1C(=O)c3c(O)cccc3C2=O"	0	""	""	1	1	388893	""
"684129"	"684129"	"N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine"	"CN(C)C(=C1c2cc(ccc2c3ccc(cc13)[N+](=O)[O-])[N+](=O)[O-])N(C)C"	0	""	""	1	1	388898	""
"684130"	"684130"	"(2E)-2-(1-Piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile"	"[O-][N+](=O)c1ccc2c(c1)\C(=C(\C#N)/N3CCCCC3)\c4cc(cc(c24)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	3005223	""
"684142"	"684142"	"Methanethione, bis(4-methyl-1-piperazinyl)-"	"CN1CCN(CC1)C(=S)N2CCN(C)CC2"	0	""	""	2	2	388906	""
"684144"	"684144"	"Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione"	"Clc1cccc(c1)N2CCN(CC2)C(=S)N3CCN(CC3)c4cccc(Cl)c4"	0	""	""	1	1	388908	""
"684322"	"684322"	"Phenanthrene-9,10-diimine"	"N=C1C(=N)c2ccccc2c3ccccc13"	0	""	""	2	1	2981	"5665521"
"684329"	"684329"	"BHT102893"	"Clc1ccc(\C=C\2/NC(=S)NC2=O)cc1"	0	""	""	1	1	717424	""
"684350"	"684350"	"3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione"	"O=C1NC2=Nc3ccccc3C(=O)N2/C/1=C/c4occc4"	0	""	""	1	1	135493950	""
"684355"	"684355"	"(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one"	"O=C1NC(=N/C/1=C\c2cccs2)N3CCOCC3"	0	""	""	1	1	135493955	""
"684357"	"684357"	"(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one"	"Oc1ccc(\C=C\2/N=C(NC2=O)N3CCOCC3)cc1"	0	""	""	1	1	135493957	""
"684362"	"684362"	"Epothilon A"	"C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	""	""	3	3	448799	""
"684363"	"684363"	"Epothilone B"	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	"TUBB|Tu-stab"	"Clinical trial"	3	1	448013	""
"684365"	"684365"	"ZJESQUBQQBRCGG-UHFFFAOYSA-N"	"COc1cccc(C2=Nc3ccccc3C(=O)N2)c1OC"	0	""	""	1	1	135489849	""
"684376"	"684376"	""	"ClC1=NC(=S)N/C/1=C/c2ccccc2"	0	NA	NA	2	1	NA	""
"684378"	"684378"	"(5E)-4-Chloro-5-(2-furylmethylene)imidazole-2-thione"	"ClC1=NC(=S)N/C/1=C/c2occc2"	0	""	""	2	1	6374661	""
"684379"	"684379"	"1H-Imidazole-2-imine, 4-chloro-2,5-dihydro- N-(4-methylp..."	"Cc1ccc(cc1)\N=C/2\N\C(=C\c3ccccc3)\C(=N2)Cl"	0	NA	NA	2	2	NA	""
"684380"	"684380"	""	"Cc1ccc(cc1)\N=C/2\N\C(=C\c3occc3)\C(=N2)Cl"	0	NA	NA	2	1	NA	""
"684382"	"684382"	"[(4Z)-4-(Furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea"	"NC(=S)NC1=NC(=S)NC2=C1SC3=N\C(=C/c4occc4)\C(=O)N23"	0	""	""	2	1	5906432	""
"684388"	"684388"	"5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone"	"CN(C)c1ccc(cc1)C(Cc2ccccc2)C3NC(=S)NC3=O"	0	""	""	2	1	3005233	""
"684391"	"684391"	"(2Z)-5-Amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione"	"NC1=C(N2CCOCC2)C(=O)NC3=N\C(=C/c4ccccc4)\C(=O)N13"	0	""	""	1	1	5920966	""
"684405"	"684405"	"1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil"	"FC1=CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)NC1=O"	0	""	""	2	2	388985	""
"684408"	"684408"	"[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine"	"CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=C\C(=N\OC(=O)c5cccc6C(=O)c7ccccc7Nc56)\C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C"	0	""	""	1	1	9572000	""
"684409"	"684409"	"18-Norestr-4-en-3-one, 17-ethynyl-13-ethyl- 17.beta.-hyd..."	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\NC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CCC34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	2	2	9572001	""
"684423"	"684423"	"2-Ethoxy-6,7-dehydroestra-1,3,5(10)-trien-3,17.beta.-diol"	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C=Cc2cc1O"	0	NA	NA	2	2	NA	""
"684424"	"684424"	"Methyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate"	"COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1"	0	""	""	2	2	388993	""
"684438"	"684438"	"2,6-Diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide"	"NCCCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCCCN)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	438922	""
"684439"	"684439"	"Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethy"	"CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCNc2ccc(NCCNC(=O)C(CCCCNC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)c4C(=O)c5ccccc5C(=O)c24"	0	""	""	2	2	438923	""
"684440"	"684440"	"2-Amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylsulfanylbutanamide"	"CSCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCSC)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	438924	""
"684441"	"684441"	"Tert-butyl N-[1-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate"	"CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	438925	""
"684442"	"684442"	"N-[2-[[9,10-Dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]anthracen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide"	"O=C(NCCNc1ccc(NCCNC(=O)C2CCCN2)c3C(=O)c4ccccc4C(=O)c13)C5CCCN5"	0	""	""	1	1	438926	""
"684443"	"684443"	"Tert-butyl 2-[2-[[4-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate"	"CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNc2ccc(NCCNC(=O)C3CCCN3C(=O)OC(C)(C)C)c4C(=O)c5ccccc5C(=O)c24"	0	""	""	1	1	438927	""
"684444"	"684444"	"6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene"	"CC(C)(C)c1ccc2OCCOCCOc3ccc(cc3OCc4nc(COc2c1)n[nH]4)C(C)(C)C"	0	""	""	1	1	389005	""
"684459"	"684459"	"7H-Pyrido[3,2-d][1]benzazepine-6-thione, 4-(4-bromo- phe..."	"Brc1ccc(cc1)c2cc(nc3c2CC(=S)Nc4ccccc34)c5ccccc5"	0	""	""	2	2	3939015	""
"684480"	"684480"	"7H-Pyrido[3,2-d][1]benzazepin-6-one, 2-(3-chlorophenyl)-..."	"Clc1cccc(c1)c2cc(c3CC(=O)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	389012	""
"684481"	"684481"	"7H-Pyrido[3,2-d][1]benzazepine-6-thione, 2-(3-chloro- ph..."	"Clc1cccc(c1)c2cc(c3CC(=S)Nc4ccccc4c3n2)c5ccccc5"	0	""	""	2	2	4998423	""
"684496"	"684496"	"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)ethyl]..."	"CC(C)OC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1"	0	""	""	4	4	389014	""
"684506"	"684506"	"22-Hydroxytingenone"	"C[C@@H]1CC2[C@@](C)(CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]23C)C)[C@H](O)C1=O"	0	NA	NA	2	2	NA	"50656683"
"684565"	"684565"	"5-[(E)-3-(4-Nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"[O-][N+](=O)c1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	1	1	5938458	""
"684567"	"684567"	"4,6(1H,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl..."	"CCN(CC)c1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	2	2	6376062	""
"684569"	"684569"	"4,6(1H,5H)-Pyrimidinedione, dihydro-5-[3-(4-methoxypheny..."	"COc1ccc(\C=C\C=C2C(=O)NC(=S)NC2=O)cc1"	0	""	""	2	2	5874667	""
"684578"	"684578"	"5,7-Dihydroxy-2-nonyl-chromen-4-one"	"CCCCCCCCCC1=CC(=O)c2c(O)cc(O)cc2O1"	0	""	""	1	1	5378621	""
"684587"	"684587"	""	"C\C(=N/O)\c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1"	0	NA	NA	1	1	NA	""
"684667"	"684667"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12"	0	""	""	1	1	389050	""
"684699"	"684699"	"2-Propen-1-one, 1-(5-hydroxy-3-phenyl- 1,2,3-oxadiazol-4..."	"Cc1ccc(\C=C\C(=O)c2c(O)on[n+]2c3ccccc3)cc1"	0	""	""	2	1	5469236	""
"684700"	"684700"	"2-Propen-1-one, 1-(5-hydroxy-3-phenyl- 1,2,3-oxadiazol-4..."	"Oc1on[n+](c2ccccc2)c1C(=O)\C=C\c3ccc(cc3)C(F)(F)F"	0	""	""	2	2	5469238	""
"684701"	"684701"	"(E)-3-(4-Hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2c(O)on[n+]2c3ccccc3)ccc1O"	0	""	""	2	1	5469240	""
"684703"	"684703"	"5,8-Quinolinedione, 2-chloro-6-methoxy-4-methyl-7-propyl-"	"CCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O"	0	""	""	2	1	389064	""
"684706"	"684706"	"1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine"	"CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12"	0	""	""	1	1	389067	""
"684707"	"684707"	"2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile"	"S=C1NC2=C(CCCCC2)C(=C1C#N)\C=C\c3ccccc3"	0	""	""	1	1	5469243	""
"684712"	"684712"	""	"CCc1ccc2[OH+][Cu+2]34[OH+]c5ccc(CC)cc5C(=O)[O-][Cu+2]([OH+]c6ccc(CC)cc6C(=O)[O-]3)([OH+]c7ccc(CC)cc7C(=O)[O-]4)[O-]C(=O)c2c1"	0	NA	NA	2	2	NA	""
"684713"	"684713"	"Hexafluoro phosphate"	"CCN1\C(=C\C#C\C(=C/c2sc3ccccc3[n+]2CC)\C)\Sc4ccccc14.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	""	""	1	1	6477909	""
"684714"	"684714"	""	"CCN1\C(=C\C#C\C(=C/c2sc3ccc(Cl)cc3[n+]2CC)\C)\Sc4ccc(Cl)cc14"	0	NA	NA	1	1	NA	""
"684725"	"684725"	"2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile"	"CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C"	0	""	""	1	1	389075	""
"684749"	"684749"	"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluor"	"CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C"	0	""	""	2	1	389088	""
"684785"	"684785"	"5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile"	"Nc1oc(CCC(N2C(=O)c3ccccc3C2=O)c4oc(N)c(n4)C#N)nc1C#N"	0	""	""	1	1	389100	""
"684789"	"684789"	"5-Amino-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)-1,3-oxazole-4-carbonitrile"	"CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)c4oc(N)c(n4)C#N"	0	""	""	2	1	389104	""
"684802"	"684802"	"Maybridge1_002423"	"CC1(C)CN=C(Nc2cccc(c2)C(F)(F)F)S1"	0	""	""	1	1	389117	""
"684804"	"684804"	"STK377701"	"CC1CN=C(Nc2cccc(F)c2)S1"	0	""	""	1	1	389119	""
"684810"	"684810"	"N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide"	"Cc1ccc(cc1)S(=O)(=O)NNCNC(=O)c2ccccc2"	0	""	""	1	1	389125	""
"684819"	"684819"	"STK691020"	"CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)c(Cl)c1)C(F)(F)F"	0	""	""	2	1	389134	""
"684820"	"684820"	"C16H18F6N2O3"	"CCOC(=O)C(NCc1cccc(c1)C(F)(F)F)(NC(=O)CC)C(F)(F)F"	0	""	""	1	1	389135	""
"684825"	"684825"	"Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate"	"CCOC(=O)C(O)(NC(=O)c1ccccc1F)C(F)(F)F"	0	""	""	1	1	389140	""
"684832"	"684832"	"N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide"	"Fc1ccc(cc1)C(=O)NC(Cl)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	389148	""
"684834"	"684834"	"2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide"	"Cc1ccccc1C(=O)NC(O)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	389150	""
"684836"	"684836"	"Butanamide, N-[2-[(4-fluorophenyl)amino]-1,1,1,3,3,3- he..."	"CCCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F"	0	""	""	2	2	389152	""
"684838"	"684838"	"Propanamide, 3,3,3-trifluoro-2-(trifluoromethyl)- N-[2-[..."	"Fc1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1"	0	""	""	2	2	389154	""
"684843"	"684843"	"AG-389/33008062"	"CCOC(=O)C(NC(=O)C)(Nc1ccc(cc1)S(=O)(=O)N)C(F)(F)F"	0	""	""	1	1	389159	""
"684845"	"684845"	"Propanoic acid, 3,3,3-trifluoro- 2-[(4-fluorophenyl)amin..."	"CCOC(=O)NC(Nc1ccc(F)cc1)(C(=O)OCC)C(F)(F)F"	0	""	""	2	2	389161	""
"684846"	"684846"	"Propanoic acid, 3,3,3-trifluoro- 2-[(3,4-difluorophenyl)..."	"CCOC(=O)NC(Nc1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F"	0	""	""	2	2	389162	""
"684850"	"684850"	"1,3-Propanedioic acid, 2-[[4-[[(4,5-dihydro-5-methyl-2-t..."	"CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC"	0	""	""	2	2	389166	""
"684855"	"684855"	"Propanoic acid, 3,3,3-trifluoro- 2-[[4-chloro-2-(trifluo..."	"CCOC(=O)C(NC(=O)c1ccccc1)(Nc2ccc(Cl)cc2C(F)(F)F)C(F)(F)F"	0	""	""	2	2	389171	""
"684857"	"684857"	"1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline"	"COc1ccccc1N(CN2C(CCC2=O)C(=O)O)C(=O)C"	0	""	""	1	1	389173	""
"684864"	"684864"	"1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester"	"COC(=O)C1CCC(=O)N1CN(C(=O)C)c2ccccc2"	0	""	""	1	1	389180	""
"684868"	"684868"	"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester"	"CCOCCOC(=O)C1CCC(=O)N1CN(C(=O)C)c2cc(OC)ccc2OC"	0	""	""	1	1	389184	""
"684869"	"684869"	"N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide"	"CNC(=O)C1CCC(=O)N1CN(C(=O)C)c2ccccc2"	0	""	""	1	1	389185	""
"684872"	"684872"	"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-"	"COC1CCC(=O)N1CN(C(=O)C)c2ccc(C)cc2"	0	""	""	1	1	389188	""
"684874"	"684874"	"6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one"	"CC(=O)N1CN2C(CCC2=O)c3ccccc13"	0	""	""	1	1	389190	""
"684901"	"684901"	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccc(O)cc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccc(O)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	NA	""
"684902"	"684902"	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccc(O)cc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccc(O)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	NA	""
"684903"	"684903"	"2-Amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CC(=O)CN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CC(=O)CN7C1=O"	0	""	""	1	1	389207	""
"684904"	"684904"	"2-Amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide"	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CC(O)CN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CC(O)CN7C1=O"	0	""	""	1	1	389208	""
"684906"	"684906"	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O"	0	NA	NA	2	2	NA	""
"684907"	"684907"	""	"CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(Cc6ccccc6)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(Cc8ccccc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C1=O"	0	NA	NA	2	2	NA	""
"684908"	"684908"	""	"COc1ccc(CC2N(C)C(=O)CN(C)C(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C4=C(N)C(=O)C(=C5Oc6c(C)ccc(C(=O)NC7C(C)OC(=O)C(Cc8ccc(OC)cc8)N(C)C(=O)CN(C)C(=O)C9CCCN9C(=O)C(NC7=O)C(C)C)c6N=C45)C)C(C)OC2=O)C(C)C)cc1"	0	NA	NA	2	2	NA	""
"684909"	"684909"	"2,6-Pyrimidinediamine, 4-chloro-5-[(4-chlorophenyl)azo]-..."	"Nc1nc(Cl)c(\N=N\c2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	2	NA	""
"684910"	"684910"	"2,6-Pyrimidinediamine, 4-chloro-5-[(4-chlorophenyl)azo]-..."	"Nc1nc(Cl)c(\N=N\c2ccc(Cl)cc2)c(NCC3(CO)CC(C3)OCc4ccccc4)n1"	0	NA	NA	2	1	NA	""
"684913"	"684913"	"stilbene, 4-hydroxy-4'-methoxy-, (z)-"	"COc1cccc(\C=C/c2ccc(O)cc2)c1"	0	NA	NA	2	2	NA	""
"684965"	"684965"	"3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile"	"Fc1ccc(\C=C(/C#N)\C2=Nc3ccccc3C(=O)N2)cc1"	0	""	""	1	1	135454442	""
"684969"	"684969"	""	"COc1ccc(\C=C(/C#N)\C2=Nc3ccccc3C(=O)N2)cc1"	0	NA	NA	1	1	NA	""
"684973"	"684973"	"STK027543"	"N=C1Oc2ccccc2C=C1c3nc4ccccc4[nH]3"	0	""	""	1	1	389220	""
"684974"	"684974"	"IFLab1_000850"	"N=C1Oc2ccccc2C=C1C3=Nc4ccccc4C(=O)N3"	0	""	""	1	1	135449176	""
"684976"	"684976"	"2-(3-Iminobenzo[f]chromen-2-yl)-1H-quinazolin-4-one"	"N=C1Oc2ccc3ccccc3c2C=C1C4=Nc5ccccc5C(=O)N4"	0	""	""	1	1	135489852	""
"684980"	"684980"	"2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile"	"O=C1Oc2ccc3ccccc3c2C=C1c4csc(CC#N)n4"	0	""	""	1	1	389227	""
"684981"	"684981"	"2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(CC#N)n3"	0	""	""	2	2	5466312	""
"684984"	"684984"	"STL360951"	"CN(C)c1ccc(\C=C(/C#N)\c2nc(cs2)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	1	1	5469261	""
"684986"	"684986"	"STK012642"	"Cc1nc(cs1)C2=Cc3ccccc3OC2=O"	0	""	""	1	1	389233	""
"684988"	"684988"	"CBMicro_045675"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3csc(C)n3"	0	""	""	1	1	389235	""
"684990"	"684990"	"STK805705"	"Cc1nc(cs1)C2=Cc3cc(ccc3OC2=O)[N+](=O)[O-]"	0	""	""	1	1	389237	""
"684992"	"684992"	"STK526942"	"[O-][N+](=O)c1ccc2OC(=O)C(=Cc2c1)c3csc(n3)c4ccccc4"	0	""	""	1	1	389239	""
"684995"	"684995"	"6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(n3)c4ccc(OC)cc4"	0	""	""	1	1	5466313	""
"685002"	"685002"	"BAS 01020699"	"COc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	1	1	389249	""
"685003"	"685003"	"STL135827"	"Clc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	2	1	389250	""
"685005"	"685005"	"STK492811"	"CCN(CC)c1ccc2C=C(C(=O)NCc3ccccc3)C(=N)Oc2c1"	0	""	""	2	2	389252	""
"685014"	"685014"	"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one"	"CC(C)Oc1c(O)c2C(C=CN3C(=O)Oc(c1OC(C)C)c23)c4ccccc4n5c(C)ccc5C"	0	""	""	1	1	389261	""
"685016"	"685016"	"10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one"	"CC(C)OC1=C(OC(C)C)C2=NNC(=O)N3C=CC(C(=C23)C1=O)c4ccccc4n5c(C)ccc5C"	0	""	""	1	1	135450448	""
"685019"	"685019"	"3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione"	"CC(C)OC1=C(C(=O)C1=O)C2=C(OC(C)C)C(=O)C2=O"	0	""	""	3	1	389266	""
"685021"	"685021"	"[7-(Diethylamino)-6-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate"	"CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(OC(C)C)C(=O)C3=O"	0	""	""	1	1	389268	""
"685022"	"685022"	"3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione"	"COc1ccccc1C(=O)C2=C(NCc3ccccc3)C(=O)C2=O"	0	""	""	1	1	389269	""
"685032"	"685032"	"(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate"	"CC(=O)Oc1c2Oc3ccc(Cl)cc3C(=O)c2c(O)c4ccsc14"	0	""	""	1	1	5466315	""
"685033"	"685033"	"[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate"	"CN(C)n1ccc2c(O)c(C(=O)c3ccccc3)c(N4CCCCC4)c(OC(=O)C)c12"	0	""	""	1	1	389280	""
"685034"	"685034"	"2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one"	"COc1c(N2CCCCC2)c3C(=O)c4ccccc4Oc3c5cc(C)oc15"	0	""	""	1	1	389281	""
"685096"	"685096"	"noac"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O"	0	""	""	2	2	389286	""
"685105"	"685105"	"Methyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]ethyl..."	"COC(=O)c1ccc(CCC2=CC(=O)C(=CC2=O)Br)cc1"	0	""	""	2	2	389287	""
"685106"	"685106"	"Isopropyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate"	"CC(C)OC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1"	0	""	""	2	1	389288	""
"685107"	"685107"	"Isopropyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]et..."	"CC(C)OC(=O)c1ccc(CCC2=CC(=O)C(=CC2=O)Br)cc1"	0	""	""	2	2	389289	""
"685110"	"685110"	""	"Cc1ccc(cc1)S(=O)(=O)N\C(=C/C=C/c2ccccc2)\C(=O)C(C)(C)C"	0	NA	NA	1	1	NA	""
"685118"	"685118"	"5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile"	"Nc1oc(CCN2C(=O)c3ccccc3C2=O)nc1C#N"	0	""	""	1	1	389298	""
"685121"	"685121"	"5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile"	"Nc1oc(CCCCCN2C(=O)c3ccccc3C2=O)nc1C#N"	0	""	""	1	1	389301	""
"685123"	"685123"	""	"[R]S(=O)(C)[C@H]([C@H](O)[C@H]1COC(C)(C)O1)C2=NO[C@H]([C@@H]2c3ccccc3)c4ccccc4"	0	NA	NA	2	1	NA	""
"685124"	"685124"	"4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-, (E,E)-"	"Clc1ccc(\C=C\2/CNC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1"	0	""	""	3	2	5469265	""
"685125"	"685125"	"4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-, (E,E)-"	"[O-][N+](=O)c1ccc(\C=C\2/CNC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C2=O)cc1"	0	""	""	2	2	5469266	""
"685126"	"685126"	"4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]-, (E,E)-"	"Fc1ccc(\C=C\2/CNC\C(=C/c3ccc(F)cc3)\C2=O)cc1"	0	NA	NA	3	3	NA	""
"685127"	"685127"	"1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone"	"Cc1ccc(\C=C\C2=NNC(=NC2=O)N\N=C\c3ccc4OCOc4c3)cc1"	0	""	""	1	1	135493963	""
"685189"	"685189"	""	"CC1=CN(C2OC(CO[Si](C)(C)C(C)(C)C)\C(=C/C#N)\C2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"685230"	"685230"	"3-chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline"	"CS(=O)(=O)N1CC(CCl)c2ccc(NO)cc12"	0	""	""	2	2	389321	""
"685231"	"685231"	"2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol, 6-t..."	"CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3C\C(=N/NS(=O)(=O)c5ccc(C)cc5)\c2cc1O"	0	NA	NA	1	1	NA	""
"685233"	"685233"	""	"Cc1ccc(cc1)C2=NNC(=O)N2\N=C\c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"685268"	"685268"	""	"OCC(O)C(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C/c2ccc(Cl)cc2)\N1"	0	NA	NA	1	1	NA	""
"685269"	"685269"	""	"OCC(O)C(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C/c2ccccc2)\N1"	0	NA	NA	1	1	NA	""
"685272"	"685272"	"D-Glucose, [4-[(4-chlorophenyl)methylene]-5-oxo- 2-imida..."	"OCC(O)C(O)C(O)C(O)\C=N/N=C\1/NC(=O)\C(=C\c2ccc(Cl)cc2)\N1"	0	""	""	2	2	135484999	"208113411"
"685282"	"685282"	""	"Cc1ccc(\C=C/2\N\C(=N/N=C/C(O)C(O)C(O)CO)\NC2=O)cc1"	0	NA	NA	1	1	NA	""
"685285"	"685285"	"LMEYMDPIGMZWSV-IWGRKNQJSA-N"	"COc1ccc(cc1)\N=C(/C)\C(=N\c2ccc(OC)cc2)\C"	0	""	""	1	1	389336	""
"685289"	"685289"	""	"C\C(=N/N=C/c1ccccn1)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N=C\c2ccccn2)\C)\C)\C"	0	NA	NA	1	1	NA	""
"685290"	"685290"	""	"C\C(=N\N=C\c1ccccn1)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N/N=C/c2ccccn2)\C)\C)\C)\C"	0	NA	NA	1	1	NA	""
"685292"	"685292"	""	"C\C(=N/N)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N)\C)\C)\C"	0	NA	NA	1	1	NA	""
"685293"	"685293"	""	"C\C(=N/N)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N=C(/C)\C(=N\N)\C)\C)\C)\C"	0	NA	NA	1	1	NA	""
"685298"	"685298"	"5-Amino-2-ethenyl-1,3-oxazole-4-carbonitrile"	"Nc1oc(C=C)nc1C#N"	0	""	""	1	1	389345	""
"685299"	"685299"	"5-Amino-2-[(E)-styryl]oxazole-4-carbonitrile"	"Nc1oc(\C=C\c2ccccc2)nc1C#N"	0	""	""	1	1	5469294	""
"685301"	"685301"	"24-Norcholan-3,12-diol, 23-(5-amino-4-cyano-2-oxazolyl)-..."	"C[C@H](CCc1oc(N)c(n1)C#N)[C@H]2CC[C@H]3[C@@H]4CCC5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C"	0	NA	NA	2	2	NA	""
"685302"	"685302"	""	"C[C@H](CCc1oc(N)c(n1)C#N)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)CC5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C"	0	NA	NA	3	2	NA	""
"685354"	"685354"	"5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid"	"COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc3ccccc3"	0	""	""	1	1	389351	""
"685357"	"685357"	"5-(m-Benzyloxy)benzylbarbituric Acid"	"O=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)C(=O)N1"	0	""	""	1	1	192294	""
"685405"	"685405"	"Benzoic acid, 4-[[2-bromo-3,6-dioxo-1,4-cyclohexadienyl)..."	"CC(C)(C)OC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1"	0	""	""	2	2	389360	""
"685407"	"685407"	"N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide"	"Nc1ncnc2c1ncn2C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	389362	""
"685416"	"685416"	"3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine"	"Clc1ccc(cc1)C2=NCON=C2c3ccc(Cl)cc3"	0	""	""	1	1	389370	""
"685421"	"685421"	""	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](C=C2C1)c5ccc(O)cc5)OC(=O)C"	0	NA	NA	1	1	NA	""
"685424"	"685424"	"2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine"	"[O-][N+](=O)c1ccc(nc1)n2cnc3C(=O)NC(=O)Nc23"	0	""	""	1	1	389377	""
"685426"	"685426"	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)N)ccc34)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	""
"685457"	"685457"	"5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione"	"CCCCCCCCCCCCCCCC(=O)ON1C(=S)NC(C)(C1=S)c2ccccc2"	0	""	""	1	1	3005240	""
"685458"	"685458"	"(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate"	"O=C(CCc1ccccc1)ON2C(=NC(C2=S)(c3ccccc3)c4ccccc4)Sc5ccccc5"	0	""	""	1	1	389392	""
"685459"	"685459"	"[2-(4-Methoxyphenyl)-4-thioxo-quinazolin-3-yl] acetate"	"COc1ccc(cc1)C2=Nc3ccccc3C(=S)N2OC(=O)C"	0	""	""	1	1	389393	""
"685461"	"685461"	"(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate"	"O=C(CCc1ccccc1)ON2C(=S)c3ccccc3N=C2c4ccccc4"	0	""	""	1	1	389395	""
"685462"	"685462"	"3-Hydroxy-2-phenyl-quinazoline-4-thione"	"ON1C(=S)c2ccccc2N=C1c3ccccc3"	0	""	""	1	1	389396	""
"685465"	"685465"	"5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione"	"OCC1OC(C(O)C(F)C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	389397	""
"685466"	"685466"	"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione"	"CC1=NN(C2OC(CO)C(O)C(F)C2O)C(=O)NC1=O"	0	""	""	1	1	389398	""
"685468"	"685468"	""	"[Cl-].C1CP(c2ccccc2)(c3ccccc3)[Pt+2]4([NH2+]CCP4(c5ccccc5)c6ccccc6)[NH2+]1"	0	NA	NA	2	1	NA	""
"685470"	"685470"	"Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine"	"[Cl-].CN(C)CCP(c1ccccc1)(c2ccccc2)[Pt+2]3([ClH-])[N+](C)(C)CCP3(c4ccccc4)c5ccccc5"	0	""	""	2	2	499568	""
"685476"	"685476"	""	"Brc1ccc(cc1)C(=O)COc2ccccc2C3=N\C(=C\4/C=CC=CC4=O)\SS3"	0	NA	NA	1	1	NA	""
"685478"	"685478"	"Phenol, 2,2'-[1H-1,2,4-triazole-3,5-diyl]bis-"	"Oc1ccccc1c2n[nH]c(n2)c3ccccc3O"	0	""	""	2	2	389407	""
"685500"	"685500"	"2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile"	"CC1=C(C#N)C(=N)Oc2cc(C)c(C)cc12"	0	""	""	1	1	389418	""
"685501"	"685501"	"2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile"	"Nc1nc2nc3Oc4ccccc4C(=C)c3c(N)c2c(N)c1C#N"	0	""	""	1	1	389419	""
"685503"	"685503"	"Propanedinitrile, [5-amino-3,6-dicyano-1,2,4-trihydro-11..."	"CC12NC(=C(C#N)C#N)C(=C3NC(=C(C#N)C(=C13)Oc4ccccc24)N)C#N"	0	""	""	2	2	389421	""
"685509"	"685509"	"3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline"	"COc1cc(OC)cc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)c1"	0	""	""	1	1	389427	""
"685511"	"685511"	"Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	389429	""
"685520"	"685520"	"3-Ethyl-6-fluoro-2-quinoxalinol"	"CCC1=Nc2cc(F)ccc2NC1=O"	0	""	""	1	1	389438	""
"685675"	"685675"	"3-Acetyl-5-phenyl-5,6,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,8,10-tetraene-4,7-dione"	"CC(=O)C1=C2N(N(C1=O)c3ccccc3)C(=O)c4nccnc24"	0	""	""	1	1	389465	""
"685677"	"685677"	"3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid"	"CC(=O)OC(=C(C#N)C#N)c1nccnc1C(=O)O"	0	""	""	1	1	389468	""
"685685"	"685685"	"3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)..."	"CCOC(=O)\C(=C(\NNc1ccccc1)/c2ccncc2C(=O)O)\C#N"	0	""	""	2	2	5469314	""
"685687"	"685687"	"1,2,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione..."	"O=C1N(N=C2c3ccncc3C4=NN(C(=O)C124)c5ccccc5)c6ccccc6"	0	""	""	2	2	389479	""
"685703"	"685703"	"Leucine, N-[1-[N-[4-[[3-hydroxy-4-[[N-[N-[1-(2-hydroxy- ..."	"CCC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	389482	""
"685707"	"685707"	"Incomptina B"	"CC1\C=C/[C@H]2[C@@](C[C@H](C3[C@@H](C=1)OC(=O)C3=C)O)(C)O2"	0	NA	NA	1	1	NA	""
"685793"	"685793"	"Z285756890"	"Nc1nc(Cl)cc(Nc2ccc3CCCc3c2)n1"	0	""	""	1	1	389507	""
"685794"	"685794"	"4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine"	"Clc1cc(Cl)nc(Nc2ccc3CCCc3c2)n1"	0	""	""	1	1	389508	""
"685797"	"685797"	"7H-Purine-6-amine,2-bromo-7-(2-deoxy-.beta.-D-erythropen..."	"Nc1nc(Br)nc2ncn(C3CC(O)C(CO)O3)c12"	0	""	""	2	2	389510	""
"685798"	"685798"	"6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine"	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)nc(N)nc45)cc1"	0	""	""	3	2	389511	""
"685803"	"685803"	"LS-126491"	"CCCCc1ccc(Nc2nc(SC)c3nc[nH]c3n2)cc1"	0	""	""	2	2	389513	""
"685804"	"685804"	"2,4(1H,3H)-Pyrimidinedione, 6-[(3,4-dichlorophenyl)azo]-"	"Clc1ccc(cc1Cl)N=NC2=CC(=O)NC(=O)N2"	0	""	""	2	2	389514	""
"685805"	"685805"	"LS-127178"	"CCCCc1ccc(NC2=Nc3[nH]cnc3C(=S)N2)cc1"	0	""	""	1	1	3005246	""
"685806"	"685806"	"LS-126469"	"CCCCc1ccc(Nc2nc(N)c3nc[nH]c3n2)cc1"	0	""	""	1	1	127307	""
"685807"	"685807"	"5-(p-Aminobenzyl)-6-aminouracil"	"NC1=C(Cc2ccc(N)cc2)C(=O)NC(=O)N1"	0	""	""	1	1	389516	""
"685814"	"685814"	"N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine"	"COc1cc(Nc2ccc3CCCc3c2)nc(OC)n1"	0	""	""	1	1	389523	""
"685826"	"685826"	"6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine"	"Fc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl"	0	""	""	1	1	5466331	""
"685827"	"685827"	""	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)ncnc45)cc1"	0	NA	NA	3	2	NA	""
"685828"	"685828"	"7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)- 4-(..."	"Cc1ccc(OC2CC(OC2Oc3ccc(C)cc3)n4cnc5ncnc(Cl)c45)cc1"	0	""	""	1	1	389531	""
"685830"	"685830"	""	"CSc1ncnc2c1ncn2C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3"	0	NA	NA	1	1	NA	""
"685832"	"685832"	"2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine"	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5c(Cl)nc(Cl)nc45)cc1"	0	""	""	1	1	389534	""
"685833"	"685833"	"7H-Purine, 2,6-dichloro- 7-[2-deoxy-3,5-O-bis(4-methylph..."	"Cc1ccc(OCC2OC(CC2Oc3ccc(C)cc3)n4cnc5nc(Cl)nc(Cl)c45)cc1"	0	NA	NA	2	2	NA	""
"685835"	"685835"	""	"CSc1nc(Br)nc2ncn(C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3)c12"	0	NA	NA	1	1	NA	""
"685836"	"685836"	"9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-2,6-bis(methylsulfanyl)purine"	"CSc1nc(SC)c2ncn(C3CC(Oc4ccc(C)cc4)C(COc5ccc(C)cc5)O3)c2n1"	0	""	""	1	1	389538	""
"685838"	"685838"	"2-(4-Chloroanilino)-9H-purin-6-ol"	"Clc1ccc(NC2=Nc3[nH]cnc3C(=O)N2)cc1"	0	""	""	1	1	135440031	""
"685844"	"685844"	""	"Oc1ccc(Cl)cc1C2=NC(=NC(C2)c3ccccc3)\N=C/c4ccccc4"	0	NA	NA	1	1	NA	""
"685848"	"685848"	"4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]..."	"[O-][N+](=O)c1ccccc1\C=N\N2C(=O)c3ccccc3N=C2c4ccccc4"	0	""	""	2	1	9556295	""
"685850"	"685850"	"STK710498"	"CN(C)c1ccc(\C=N\N2C(=Nc3ccccc3C2=O)C)cc1"	0	""	""	1	1	6861487	""
"685853"	"685853"	"SSXNAVNUUDFWTL-UHFFFAOYSA-N"	"COc1ccc(cc1)C2=C(N)c3cc(OC)ccc3C2=O"	0	""	""	1	1	389548	""
"685860"	"685860"	"Ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate"	"CCOC(=O)c1cc2cc(Cc3ccc4[nH]c(cc4c3)C(=O)OCC)ccc2[nH]1"	0	""	""	1	1	389555	""
"685862"	"685862"	"Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate"	"CCOC(=O)c1cc2ccc3[nH]c(cc3c2[nH]1)C(=O)OCC"	0	""	""	1	1	389557	""
"685865"	"685865"	"Ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate"	"CCOC(=O)c1cc2c(C(=O)c3ccc(cc3)[N+](=O)[O-])c(ccc2[nH]1)C(=O)C"	0	""	""	1	1	389560	""
"685874"	"685874"	"N-[3-(3-Methylanilino)quinoxalin-2-yl]benzenesulfonamide"	"Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccccc4)c1"	0	""	""	1	1	389567	""
"685875"	"685875"	"CBDivE_012195"	"Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(N)cc4)c1"	0	""	""	1	1	389568	""
"685876"	"685876"	"STL337664"	"Nc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	389569	""
"685877"	"685877"	"CBDivE_012193"	"Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(N)cc4)cc1"	0	""	""	1	1	389570	""
"685880"	"685880"	"AB01298041-01"	"O=S(=O)(Nc1nc2ccccc2nc1N3CCCCCC3)c4ccccc4"	0	""	""	1	1	389573	""
"685881"	"685881"	"Carnocin CP 5"	"CC(=O)Nc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)[n+]4ccccc4"	0	""	""	1	1	389574	""
"685883"	"685883"	"N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)n4ccnc4"	0	""	""	1	1	389578	""
"685884"	"685884"	"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)NC2C(C(=O)c3ccccc3C2=O)n4cnc5ccccc45"	0	""	""	1	1	389579	""
"685885"	"685885"	"N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"O=C1C(=C(N(Cc2ccccc2)Cc3ccccc3)C(=O)c4ccccc14)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	389580	""
"685886"	"685886"	"N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide"	"O=S(=O)(Nc1nc2ccccc2nc1Nc3cccc4ccccc34)c5ccccc5"	0	""	""	1	1	389581	""
"685887"	"685887"	"N-(3-(Naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfo..."	"O=S(=O)(Nc1nc2ccccc2nc1Nc3ccc4ccccc4c3)c5ccccc5"	0	""	""	2	2	389582	""
"685889"	"685889"	"Z56768957"	"O=C1C(=C(C(=O)c2ccccc12)n3ccnc3)NS(=O)(=O)c4ccccc4"	0	""	""	1	1	389584	""
"685890"	"685890"	"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"O=C1C(=C(C(=O)c2ccccc12)n3cnc4ccccc34)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	389585	""
"685891"	"685891"	"N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide"	"C[n+]1cn(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc4C2=O)c5ccccc15"	0	""	""	1	1	9571591	""
"685892"	"685892"	"Benzenesulfonyl-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide"	"C[n+]1cn(c2nc3ccccc3nc2NS(=O)(=O)c4ccccc4)c5ccccc15"	0	""	""	1	1	389588	""
"685894"	"685894"	"(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate"	"O=C1C(=C(C(=O)c2ccccc12)[n+]3ccc(Cc4ccccc4)cc3)NS(=O)(=O)c5ccccc5"	0	""	""	1	1	9571592	""
"685896"	"685896"	"STL347560"	"NC(=O)c1ccc[n+](c1)C2=C(NS(=O)(=O)c3ccccc3)C(=O)c4ccccc4C2=O"	0	""	""	1	1	54694509	""
"685926"	"685926"	"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide"	"Cc1cc(ccc1\C(=N\NC(=O)c2cc(Cl)ccc2O)\N=Nc3cccc(Cl)c3)N(CCC#N)CCC#N"	0	""	""	1	1	135446392	""
"685956"	"685956"	""	"FC(F)(F)C(=O)NCCCCNCCCNC(=O)C(F)(F)F"	0	NA	NA	1	1	NA	""
"685961"	"685961"	"Tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate"	"CC(C)(C)OC(=O)N(CCCN)CCCCN"	0	""	""	1	1	389615	""
"685964"	"685964"	"{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester"	"CC(C)(C)OC(=O)N(CCCCNC(=O)OCc1ccccc1)CCCNC(=O)OCc2ccccc2"	0	""	""	1	1	389618	""
"685970"	"685970"	"N-[4-[(2,2,2-Trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide"	"FC(F)(F)C(=O)NCCCCN(CCCNC(=O)C(F)(F)F)C(=O)c1ccccc1"	0	""	""	1	1	389624	""
"685973"	"685973"	""	"NCCCCN(CCCN)Cc1ccc2ccccc2c1"	0	NA	NA	1	1	NA	""
"685974"	"685974"	"Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester"	"O=C(Cc1ccccc1)NCCCN(CCCCN(CCCNC(=O)Cc2ccccc2)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	2	2	389629	""
"685976"	"685976"	""	"NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc2ccccc2"	0	NA	NA	1	1	NA	""
"685977"	"685977"	"Carbamic acid, [1,4-butanediylbis[N-[3-[(trifluoroacetyl..."	"FC(F)(F)C(=O)NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1)C(=O)OCc2ccccc2"	0	""	""	2	2	389633	""
"685980"	"685980"	"1,4-Butanediamine, N,N'-bis(3-aminopropyl)- N,N'-bis(3-p..."	"NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc2ccccc2"	0	NA	NA	2	1	NA	""
"685981"	"685981"	"1,4-Butanediamine, N,N'-bis[(2-naphthalenyl)methyl- N,N'..."	"FC(F)(F)C(=O)NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc3ccc4ccccc4c3"	0	""	""	2	2	389638	""
"685982"	"685982"	"N,N'-Bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid"	"NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc3ccc4ccccc4c3"	0	""	""	1	1	389639	""
"685985"	"685985"	"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)..."	"COC(=O)c1ccc(NCc2c(O)ccc(O)c2Br)cc1Cl"	0	""	""	1	1	389643	""
"685988"	"685988"	"Dihydroartemisinyl ether, stereoisomer of NSC-685989"	"C[C@@H]1CCC2[C@@H](C)[C@H](O[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	3	3	6712439	""
"685989"	"685989"	"Dihydroartemisinyl ether, stereoisomer of NSC-685988"	"C[C@@H]1CCC2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	2	2	6712440	""
"686031"	"686031"	"Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate"	"CCOC(=O)CSC1=NC(=C(C#N)C(=O)N1)c2ccc(OC)cc2"	0	""	""	1	1	135489869	""
"686036"	"686036"	""	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(Cl)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"686038"	"686038"	""	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(C)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"686039"	"686039"	"Pyrimidine-5-carbonitrile, 1-(2,3,4,6-O-tetraacetyl- .be..."	"CC(=O)OCC1OC(SC2=NC(=C(C#N)C(=O)N2C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)c4ccc(Cl)cc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	NA	""
"686048"	"686048"	"Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(cc3n2)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	389671	""
"686050"	"686050"	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	389673	""
"686051"	"686051"	"Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCC"	0	""	""	1	1	389674	""
"686053"	"686053"	"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	1	1	389676	""
"686130"	"686130"	"Acetamide, N-[6'-(diethylamino)-3-oxospiro-[isobenzofura..."	"CCN(CC)c1ccc2c(Oc3ccc(cc3C24OC(=O)c5ccccc45)N(C(=O)C)c6ccccc6)c1"	0	""	""	2	1	389678	"34588299"
"686232"	"686232"	"N-(4-Methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide"	"COc1ccc(NC(=O)CC(=O)N2N=C(CC2c3ccccc3)N(c4ccccc4)c5ccccc5)cc1"	0	""	""	1	1	389689	""
"686266"	"686266"	"4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine"	"CN(C)c1nc(Cl)c2c(C)c(C)oc2n1"	0	""	""	1	1	389700	""
"686288"	"686288"	"AMINOFLAVONE"	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(N)c(F)c3"	0	"Db|DDI"	"Clinical trial"	5	4	389710	"165179351"
"686291"	"686291"	"(1S,7R,9R,10S,12S,14S)-7-Methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one"	"CO[C@@]12C[C@@H](C)[C@]34O[C@H]3C[C@]5(C)O[C@]45CC1=C(C)C(=O)O2"	0	""	""	1	1	389711	""
"686305"	"686305"	"Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-t"	"COC(=O)C(CCCCN)NC(=O)C.Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O"	0	""	""	1	1	11980934	""
"686314"	"686314"	"2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol"	"Cc1ccc(O)c(c1)C(c2cc(C)ccc2O)c3cc(ccc3O)[N+](=O)[O-]"	0	""	""	1	1	389722	""
"686325"	"686325"	"1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole"	"FC(F)(F)C1(OI(N=[N+]=[N-])c2ccccc12)C(F)(F)F"	0	""	""	1	1	389734	""
"686334"	"686334"	"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cycloh..."	"COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl"	0	""	""	1	1	389737	""
"686336"	"686336"	"[17-[4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17"	"C[C@H](CCC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCc5nc6ccccc6[nH]5)[C@@]4(C)CC[C@H]23)C1)[C@H]7CC[C@H]8[C@@H]9CCC%10C[C@H](O)CC[C@]%10(C)[C@H]9CC[C@]78C"	0	""	""	2	2	496334	""
"686337"	"686337"	""	"C[C@H](CCc1nc2cc(C)ccc2[nH]1)[C@H]3CC[C@H]4[C@@H]5CCC6C[C@@H](CC[C@]6(C)[C@H]5CC[C@]34C)OC(=O)C"	0	NA	NA	1	1	NA	""
"686338"	"686338"	"Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate"	"COC(=O)CCCC(=O)C1=NN(Cc2ccccc2N1)c3ccc(Cl)cc3"	0	""	""	1	1	389742	""
"686339"	"686339"	"Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate"	"COC(=O)CCCC(=O)\C(=N/Nc1ccc(Cl)cc1)\Nc2c(Cl)cccc2Cl"	0	""	""	3	1	389743	""
"686340"	"686340"	"3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole"	"COc1ccc(cc1)c2onc(n2)N3CCCC3"	0	""	""	2	1	389744	""
"686342"	"686342"	"2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile"	"CC1(C)OC(=C(C#N)C#N)C(=C1\C=C\c2ccncc2)C#N"	0	""	""	2	1	5469325	""
"686349"	"686349"	"Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]- thiop..."	"COC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OC)C(=O)OC)C(=O)SS3)C(=O)OC"	0	""	""	3	3	389753	""
"686357"	"686357"	""	"COc1ccc2nc(N\N=C\C(=N\Nc3cc(C)c4cc(OC)ccc4n3)\C)cc(C)c2c1"	0	NA	NA	5	4	NA	""
"686359"	"686359"	"5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione"	"CN(C)CCNc1ccc(NCCN(C)C)c2C(=O)c3scnc3C(=O)c12"	0	""	""	1	1	389763	""
"686360"	"686360"	"3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol"	"Oc1c2Cc3cccc4Cc5cccc(Cc6cccc(Cc1ccc2)c6OCCOCCOCCOCCOc34)c5O"	0	""	""	1	1	389764	""
"686361"	"686361"	"Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide"	"CSc1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	2	2	389765	""
"686362"	"686362"	"N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide"	"COc1ccc2[nH]cc(C(=O)C(=O)N[C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4)c2c1"	0	""	""	2	2	389766	""
"686363"	"686363"	"Purino[7,8-a]quinazoline-5,9,11-trione, 6,8,10-trimethyl-"	"CN1C(=O)N(C)c2nc3N(C)C(=O)c4ccccc4n3c2C1=O"	0	""	""	3	3	389767	""
"686364"	"686364"	"1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione"	"CN1C(=O)N(C)C2=C(N(C)C3=Nc4ccccc4C(=O)N23)C1=O"	0	""	""	1	1	389768	""
"686365"	"686365"	"acetamide, n-(3-cyano-9,14-dihydro-9,14-dioxonaphtho[2,3..."	"FC(F)(F)C(=O)Nc1sc2C3=C(Oc4ccccc4c2c1C#N)C(=O)c5ccccc5C3=O"	0	""	""	2	2	389769	"158529589"
"686367"	"686367"	"Acetic acid, 2-[(3-ethyl-3,4-dihydro-4-oxo- 2-quinazolin..."	"CCN1C(=Nc2ccccc2C1=O)SCC(=O)N\N=C\c3ccccc3"	0	""	""	3	2	9571605	""
"686368"	"686368"	"Quinazolin-4(3H)-one, 3-ethyl- 2-[[[5-(phenylamino)-1,3,..."	"CCN1C(=Nc2ccccc2C1=O)SCc3nnc(Nc4ccccc4)s3"	0	""	""	3	3	389773	""
"686385"	"686385"	"3-[(3,5-Dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4cc(OCc5ccccc5)cc(OCc6ccccc6)c4)C(=O)Oc7ccccc17"	0	""	""	2	1	54682817	""
"686389"	"686389"	"EiM07-30323"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4ccc(cc4)[N+](=O)[O-])C(=O)Oc5ccccc15"	0	""	""	1	1	54676522	""
"686393"	"686393"	"3-[[3-[Bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4cccc(c4)C(C5=C(O)c6ccccc6OC5=O)C7=C(O)c8ccccc8OC7=O)C(=O)Oc9ccccc19"	0	""	""	1	1	54694511	""
"686394"	"686394"	"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccc(O)cc3OC2=O)c4ccc(\C=C\c5ccccc5)cc4)C(=O)Oc6cc(O)ccc16"	0	""	""	1	1	54686238	""
"686402"	"686402"	"2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone"	"COC1=NC(=CC(=O)N1C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	389798	""
"686409"	"686409"	"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NC(CC(=O)O)C(=O)O)cc1"	0	""	""	1	1	6109488	""
"686410"	"686410"	"2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide"	"Oc1ccccc1\C=C(/NC(=O)c2ccccc2)\C(=O)Nc3ccccc3C(=O)NCc4ccccc4"	0	""	""	1	1	6477537	""
"686411"	"686411"	"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	"OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C(=C\c3ccccc3O)\NC(=O)c4ccccc4"	0	""	""	1	1	6477538	""
"686413"	"686413"	"2-[2-[(Z)-1-Benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid"	"OC(=O)CC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	2	2	6477540	""
"686417"	"686417"	"2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)Nc3ccccc3C(=O)NCc4ccccc4)cc1"	0	""	""	1	1	5917744	""
"686420"	"686420"	"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide"	"NNC(=O)c1ccccc1NC(=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	1	1	6477544	""
"686422"	"686422"	"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid"	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)cc1"	0	""	""	1	1	5917748	""
"686425"	"686425"	"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide"	"OCCCNC(=O)c1ccccc1NC(=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	2	1	6477546	""
"686426"	"686426"	"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid"	"CC(NC(=O)\C(=C\c1ccccc1O)\NC(=O)c2ccccc2)C(=O)O"	0	""	""	1	1	6477547	""
"686428"	"686428"	""	"O=C(N\C(=C/c1ccccc1)\C2=Nc3ccccc3C(=O)O2)c4ccccc4"	0	NA	NA	2	1	NA	""
"686429"	"686429"	""	"OC(=O)CCC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"686470"	"686470"	""	"o1c2cc3ccc2nc1c4ccc(cc4)nc5[nH]c(nc6ccc(cc6)c7oc8cc(ccc8n7)nc9[nH]c(n3)c%10ccccc9%10)c%11ccccc5%11"	0	NA	NA	1	1	NA	""
"686473"	"686473"	"1H-Inden-1-imine, 3,3'-(thio)bis[N-(4-methylphenyl)-2-ph..."	"Cc1ccc(cc1)\N=C/2\C(=C(SC3=C(\C(=N\c4ccc(C)cc4)\c5ccccc35)c6ccccc6)c7ccccc27)c8ccccc8"	0	""	""	2	2	389841	""
"686481"	"686481"	"[2,2'-Bi-1H-indene]-1,1'-diimine, 2,3-dihydro-N,N'-bis(2..."	"O=C1c2ccccc2\C(=N/c3ccc4ccccc4c3)\C1(C5=C(\C(=N\c6ccc7ccccc7c6)\c8ccccc58)c9ccccc9)c%10ccccc%10"	0	""	""	2	2	389849	""
"686483"	"686483"	"4-Chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine"	"ClC1=NSS/C/1=N/c2nonc2c3ccccc3"	0	""	""	1	1	389851	""
"686489"	"686489"	"8-Quinolinol, 5,5'-(1,3-dihydro-3-oxo- 1,1-isobenzofuran..."	"Cc1cc(c2cccnc2c1O)C3(OC(=O)c4ccccc34)c5cc(C)c(O)c6ncccc56"	0	""	""	2	2	389858	""
"686492"	"686492"	"4,5,5-Trichloro-5H-1,2,3-dithiazole"	"ClC1=NSSC1(Cl)Cl"	0	""	""	1	1	389862	""
"686496"	"686496"	"(3S)-Benzyl-3-(2,3,4,6-tetra-O-pivaloyl-.beta.-D- glucop..."	"C[C@@H](CC(=O)OCc1ccccc1)OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C"	0	NA	NA	1	1	NA	""
"686498"	"686498"	"(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosyl..."	"C[C@@H](CCO)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C"	0	""	""	1	1	389870	""
"686505"	"686505"	"6-Benzyloxyhexanal"	"O=CCCCCCOCc1ccccc1"	0	""	""	2	1	389877	""
"686511"	"686511"	"C22H12F6O6S2"	"FC(F)(F)S(=O)(=O)Oc1ccc2ccccc2c1c3c(OS(=O)(=O)C(F)(F)F)ccc4ccccc34"	0	""	""	1	1	389883	""
"686512"	"686512"	"Bis((diphenylphosphino)ethynyl)(phenyl)phosphine"	"c1ccc(cc1)P(C#CP(c2ccccc2)c3ccccc3)C#CP(c4ccccc4)c5ccccc5"	0	""	""	1	1	389884	""
"686513"	"686513"	"1H-Pyrrolo[1,2-a]indole-5,8-dione, 1,2-bis(acetyloxy)-9-..."	"COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C(OC(=O)C)C(Cn23)OC(=O)C"	0	""	""	2	2	496347	""
"686514"	"686514"	"Salvilenone"	"CC(C)C1=C2OC(C)(C)c3ccc4c(C)ccc(C1=O)c4c23"	0	""	""	1	1	389885	""
"686517"	"686517"	"(+)-Neocryptotanshinone"	"C[C@@H](CO)C1=C(O)C(=O)c2c3CCCC(C)(C)c3ccc2C1=O"	0	""	""	1	1	389888	""
"686518"	"686518"	"(-)-Cryptotanshinone"	"C[C@H]1COC2=C1C(=O)C(=O)c3c4CCCC(C)(C)c4ccc23"	0	NA	NA	4	4	NA	"35825571"
"686519"	"686519"	"Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1..."	"Cc1coc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12"	0	""	""	2	2	164676	""
"686521"	"686521"	""	"CC(C)c1c(O)c2CC[C@H]3C(C)(C)CCC[C@]3(C)c2cc1O[Si](C(C)C)(C(C)C)C(C)C"	0	NA	NA	1	1	NA	""
"686549"	"686549"	"MEK Inhibitor II"	"ClC1=C(N2C(=O)CCC2=O)C(=O)c3ccccc3C1=O"	0	""	""	1	1	389898	""
"686550"	"686550"	"Butanamide, N-(3-chloro-1,4-dioxo-2-naphthalenyl)- N-(1-..."	"CCCC(=O)N(C(=O)CCC)C1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	2	2	389899	""
"686551"	"686551"	"3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone"	"ClC1=C(N(C(=O)c2ccccc2)C(=O)c3ccccc3)C(=O)c4ccccc4C1=O"	0	""	""	1	1	389900	""
"686552"	"686552"	"1-(3-Chloro-1,4-dioxo-2-naphthyl)piperidine-2,6-dione"	"ClC1=C(N2C(=O)CCCC2=O)C(=O)c3ccccc3C1=O"	0	""	""	1	1	389901	""
"686553"	"686553"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-phenyl-"	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccccc6"	0	""	""	2	2	4567749	""
"686554"	"686554"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridi..."	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccccn6"	0	""	""	2	2	4595742	""
"686555"	"686555"	"9H-Quino[4,3,2-de]phenanthrolin-9-one, 2-(2-phenylethyle..."	"O=C1c2cccnc2c3nc(\C=C\c4ccccc4)cc5c6ccccc6nc1c35"	0	""	""	2	2	6144589	""
"686556"	"686556"	"Benzo[g]quinoline-5,10-dione, 4-[2-(dimethylamino) ethen..."	"CN(C)\C=C\c1ccnc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	5469342	""
"686557"	"686557"	"2-[3-(Chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride"	"[O-][N+](=O)c1ccc2C(CCl)CN(C(=O)c3cc4ccc(cc4[nH]3)C(=O)NCCN5CCOCC5)c2c1"	0	""	""	1	1	389903	""
"686559"	"686559"	""	"[O-][N+](=O)c1ccc2C(CCl)CN(C(=O)c3cc4ccc(cc4[nH]3)C(=O)NCCc5ccccn5)c2c1"	0	NA	NA	2	2	NA	""
"686560"	"686560"	"[Di-17.alpha./.beta.-(2-ethoxy-3-hydroxyestra-1,3,5(10)-..."	"CCOc1cc2[C@@H]3CC[C@@]4(C)C(CC[C@@H]4[C@H]3CCc2cc1O)OS(=O)OC5CC[C@H]6[C@@H]7CCc8cc(O)c(OCC)cc8[C@H]7CC[C@]56C"	0	NA	NA	2	2	NA	""
"686561"	"686561"	"Benzoic acid, 2-chloro-4-[[(2,5-dihydroxyphenyl)methyl]a..."	"CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl"	0	""	""	2	2	389909	""
"686562"	"686562"	"3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide"	"O=S1(=O)OCCOS(=O)(=O)C1C2c3ccccc3c4ccccc24"	0	""	""	1	1	389910	""
"686573"	"686573"	""	"BrC1=C(Br)C2(SCCS2)[C@H]3C[C@@H]1c4ccccc34"	0	NA	NA	2	2	NA	""
"686575"	"686575"	"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one"	"OC1=C(C(C2=C(O)c3ccc(O)cc3OC2=O)c4ccc5ccccc5c4)C(=O)Oc6cc(O)ccc16"	0	""	""	1	1	54680670	""
"686583"	"686583"	"N-[2-[3,5-Bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide"	"Oc1ccc(CCC(=O)NCCc2cc(OCc3ccccc3)cc(OCc4ccccc4)c2)cc1O"	0	""	""	1	1	389930	""
"686585"	"686585"	"3-(3,4-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide"	"Oc1cc(CCNC(=O)CCc2ccc(O)c(O)c2)cc(OCc3ccccc3)c1"	0	""	""	1	1	389932	""
"686613"	"686613"	""	"CSC1=NC2=C(N=C([C@H]([C@H](CC(=O)c3ccccc3)c4ccccc4)C(N2)c5ccccc5)c6ccccc6)C(=O)N1C"	0	NA	NA	1	1	NA	""
"686651"	"686651"	"1-Cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide"	"CNC(=O)c1nnn(C2CCCCC2)c1S"	0	""	""	1	1	3005250	""
"686653"	"686653"	""	"COc1ccc(cc1)n2nnc(C(=O)N)c2O"	0	NA	NA	1	1	NA	""
"686654"	"686654"	"STL436610"	"Cc1csc(NNC(=O)Nc2ccccc2)n1"	0	""	""	1	1	389951	""
"686655"	"686655"	"STL436708"	"FC(F)(F)C(=O)NNc1nc(cs1)c2ccccc2"	0	""	""	1	1	389952	""
"686656"	"686656"	""	"Oc1c(nnn1c2cccc(c2)[N+](=O)[O-])C(=O)Nc3cccc(c3)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"686658"	"686658"	"2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide"	"NNC(=O)c1c(SCc2ccccc2)nc3c4ccccc4ccn13"	0	""	""	1	1	389955	""
"686659"	"686659"	"AF-407/32638012"	"CCOC(=O)c1c(Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])nc3c4ccccc4ccn13"	0	""	""	2	1	389956	""
"686660"	"686660"	"N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide"	"CSc1nc2c3ccccc3ccn2c1C(=O)N\N=C\c4ccccc4"	0	""	""	2	2	9571608	""
"686661"	"686661"	"AF-407/34872015"	"CCOC(=O)c1c(SCc2ccccc2)nc3c4ccccc4ccn13"	0	""	""	1	1	389958	""
"686662"	"686662"	"5-Sulfanyl-1H-triazole-4-carboxylic acid"	"OC(=O)c1nn[nH]c1S"	0	""	""	1	1	3005251	""
"686748"	"686748"	"3,4-Dimethylbenzo[g]quinoline-4,10-dione"	"Cc1cnc2C(=O)c3ccccc3C(=O)c2c1C"	0	""	""	1	1	389971	"161237394"
"686783"	"686783"	"4-(Chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine"	"CC1=NN(c2nc(N)nc(CCl)n2)C(C)(C)C1"	0	""	""	2	2	389989	""
"686789"	"686789"	"AO-267/15176072"	"CC1=NN(CC1)c2nc(N)nc(CCl)n2"	0	""	""	1	1	389995	""
"686790"	"686790"	"AF52"	"Nc1nc(CCl)nc(n1)N2CCOCC2"	0	""	""	1	1	210892	""
"686791"	"686791"	"ALBB-023764"	"CN(C)c1nc(N)nc(CCl)n1"	0	""	""	1	1	389996	""
"686926"	"686926"	"2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine"	"COc1cc2CCN3CCc4cc(OC)c(OC)cc4C3Cc2cc1OC"	0	""	""	1	1	390003	""
"686937"	"686937"	""	"COc1ccc(CCCCl)c(c1)C2=NCCc3ccccc23"	0	NA	NA	1	1	NA	""
"686939"	"686939"	""	"COc1ccc2C(=NCCc2c1)c3ccccc3CCCCl"	0	NA	NA	1	1	NA	""
"686940"	"686940"	""	"ClCCCc1ccccc1C2=NCCc3ccccc23"	0	NA	NA	1	1	NA	""
"686947"	"686947"	""	"COc1ccc(CC\N=C\2/OCc3ccccc23)cc1OC"	0	NA	NA	1	1	NA	""
"686954"	"686954"	"2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	"COc1cc2CC3Cc4ccccc4CCN3Cc2cc1OC"	0	""	""	1	1	390040	""
"686957"	"686957"	"STK416902"	"O=C(NCc1occc1)\C=C\c2ccc3OCOc3c2"	0	""	""	1	1	840355	""
"686963"	"686963"	"Neuro_000425"	"COc1cc(cc(OC)c1OC)C2C=C(Oc3cc4OCOc4cc23)c5ccccc5"	0	""	""	3	2	390049	""
"686965"	"686965"	"(5E)-5-Ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one"	"C\C=C\1/CC2C(CCC2=O)C3C1Oc4ccccc34"	0	""	""	1	1	5469352	""
"686968"	"686968"	"N-Acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide"	"CC(=O)N(N1C(=O)NN=C1Cc2ccc(Cl)cc2)C(=O)C"	0	""	""	2	1	390054	""
"686969"	"686969"	"4-Anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2Nc3ccccc3)cc1"	0	""	""	1	1	390055	""
"687002"	"687002"	""	"Oc1ccc(\C=C\2/CCCC(CN3CCCCC3)C2=O)cc1"	0	NA	NA	2	2	NA	""
"687003"	"687003"	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(Cl)cc3)\C2=O)cc1CN4CCCCC4"	0	NA	NA	1	1	NA	""
"687004"	"687004"	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccccc3)\C2=O)cc1CN4CCCCC4"	0	NA	NA	2	2	NA	""
"687005"	"687005"	""	"Cc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1"	0	NA	NA	2	1	NA	""
"687006"	"687006"	""	"COc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)\C2=O)cc1"	0	NA	NA	4	2	NA	""
"687011"	"687011"	"stereoisomer of 672120 (MW=262)"	"C\C\1=C\CC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1=O"	0	""	""	2	2	5459262	""
"687012"	"687012"	"Parthenolid-8-one"	"C\C\1=C/CCC2(C)OC2C3OC(=O)C(=C)C3C(=O)C1"	0	""	""	1	1	5469359	""
"687015"	"687015"	"11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	"Cc1cc2c3ccccc3nc4C(=O)c5ccccc5c(n1)c24"	0	""	""	1	1	390073	""
"687016"	"687016"	"11-[(E)-2-Phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(\C=C\c4ccccc4)cc5c6ccccc6nc1c35"	0	""	""	1	1	5469360	""
"687022"	"687022"	""	"COC(=O)CC1C(COC(=O)C)OC(C1OC(=O)C)N2C=C(C)C(=O)NC2=O"	0	NA	NA	2	1	NA	""
"687029"	"687029"	""	"[O-][N+]1=[N+]([O-])[C@@H]([C@@H]1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"687103"	"687103"	"[(1R,2R,4S,8R,9S,10R,15S)-9-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate"	"C[C@@H]1CCCC(=C)[C@@H]2CC[C@@](C)(O2)[C@@H](C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O)OC(=O)C"	0	""	""	1	1	6712445	""
"687105"	"687105"	"[(1S,4E,6S,10E,14S)-6-Hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate"	"CC(=O)OC\C\1=C\[C@H](O)C(CC\C(=C\CC[C@]2(C)O[C@H]2CC1)\C)C(=C)C"	0	""	""	1	1	5469363	""
"687142"	"687142"	"5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol"	"COc1c(C)c(C\C=C(/C)\CCCCO)c(OC)c(OC)c1OC"	0	""	""	1	1	5469369	""
"687148"	"687148"	"1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene"	"C\C(=C/Cc1ccc(F)cc1)\CCCCCC\C(=C\Cc2ccc(F)cc2)\C"	0	""	""	1	1	5469375	""
"687150"	"687150"	"1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene"	"COc1c(C)c(C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)c(OC)c2ccccc12"	0	""	""	1	1	5469377	""
"687159"	"687159"	"Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate"	"COC(=O)CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	390133	""
"687160"	"687160"	"Aplyronine A"	"COCC(N(C)C)C(=O)OC1C\C=C\C=C\C(=O)OC(C\C=C\C(CC(C)C\C=C(/C)\C(CCC(C)C(O)C1C)OC)OC)C(C)C(O)C(C)CCC(OC(=O)C(C)N(C)C)C(C)C(OC(=O)C)C(C)\C=C\N(C)C=O"	0	NA	NA	2	2	NA	"151923841"
"687209"	"687209"	"3-Ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"CCC1=NNC(=O)N1\N=C\c2c(O)ccc3ccccc23"	0	""	""	1	1	135493982	""
"687215"	"687215"	"3-(4-Methylphenyl)-5-((3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole"	"Cc1ccc(cc1)c2nc(Cc3n[nH]c(n3)c4ccc(C)cc4)n[nH]2"	0	""	""	1	1	390147	""
"687225"	"687225"	"Benzoic acid, 2-chloro-4-[[(3,6-dioxo-1,4-cyclohexadieny..."	"CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl"	0	""	""	2	2	390157	""
"687304"	"687304"	"Hydrazinecarbothioamide, 2-[[4-(acetyloxy)-5-methyl- 1-i..."	"CC(=O)Oc1cccc2c(\C=N\NC(=S)N)ncc(C)c12"	0	""	""	2	2	9571611	"171880390"
"687305"	"687305"	"4-(N-acetyl-N-ethylamino)isoquinoline-1-carboxaldehyde t..."	"CCN(C(=O)C)c1cnc(\C=N\NC(=S)N)c2ccccc12"	0	""	""	2	2	9571612	"171880492"
"687307"	"687307"	"3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione"	"CC1(C)CC(=O)C2(CC(CSc3ccccc3)C(CS(=O)(=O)c4ccccc4)C2)C(=O)C1"	0	""	""	1	1	390162	""
"687308"	"687308"	"1H,7H-Pyrimido[5,6,1-de]acridine-1,3(2H),7-trione, 2-[2-..."	"CN(C)CCCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	NA	NA	2	2	NA	""
"687311"	"687311"	"Acridine, 9-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-"	"CCSc1nnc(Sc2c3ccccc3nc4ccccc24)s1"	0	""	""	2	2	390166	""
"687315"	"687315"	"N-Dibenzofuran-3-ylthiophene-2-carbothioamide"	"S=C(Nc1ccc2c(oc3ccccc23)c1)c4cccs4"	0	""	""	1	1	3005257	""
"687319"	"687319"	""	"CN1CCCS(=O)(=O)/C/1=N\S(=O)(=O)c2ccc(C)cc2"	0	NA	NA	1	1	NA	""
"687321"	"687321"	""	"CC1(C)C\C(=N\O)\c2c(C1)nc3ccc4ccccc4c3c2c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"687330"	"687330"	"adenosine, 2'-amino-2'-deoxy-3',5'- o-[1,1,3,3-tetrakis(..."	"CC(C)[Si]1(OCC2OC(C(N)C2O[Si](O1)(C(C)C)C(C)C)n3cnc4c(N)ncnc34)C(C)C"	0	""	""	2	2	390181	"160056495"
"687344"	"687344"	"Ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)c1[nH]cc(C)c1c2c[nH]c3ccccc23"	0	""	""	2	2	390183	""
"687352"	"687352"	"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide"	"CCCCCCCCCCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCCCCCCCCCC"	0	""	""	2	2	390191	""
"687353"	"687353"	"1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5..."	"CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccccc4c3cc12"	0	""	""	3	3	390192	""
"687354"	"687354"	"1H-[1,2,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"COC(=O)[C@H]1C=C[C@H](OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)N3N1C(=O)N(C3=O)c4ccccc4"	0	""	""	2	2	390193	""
"687355"	"687355"	"1H-[1,2,4]Triazolo[1,2-a]pyridazine-8-carboxylic acid, 5..."	"CC(=O)OCC1OC(O[C@H]2C=C[C@H](N3N2C(=O)N(C3=O)c4ccccc4)C(=O)OCc5ccccc5)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	390194	""
"687367"	"687367"	"[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(OP(=O)(O)OCC3OC(CC3O)N4C=C(CC)C(=O)NC4=O)C(CO)O2"	0	""	""	1	1	390210	""
"687368"	"687368"	"[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)O)O2"	0	""	""	2	2	390211	""
"687369"	"687369"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(OP(=O)(O)OCC3OC(CC3OC(=O)C)N4C=C(F)C(=O)NC4=O)C(CO)O2"	0	""	""	2	2	390212	""
"687370"	"687370"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(OP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(CO)O2"	0	""	""	1	1	390213	""
"687453"	"687453"	"2-Propenoic acid, 3-[2,3-dihydro-2-(4-hydroxy- 3-methoxy..."	"COC(=O)\C=C\c1cc(OC)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(OC)c3"	0	NA	NA	3	3	NA	""
"687454"	"687454"	"2-Ethoxy-3-hydroxy-17.alpha./.beta.-aminoestra-1,3,5(10)..."	"CCOc1cc2[C@H]3CC[C@]4(C)C(N)CC[C@H]4[C@@H]3CCc2cc1O"	0	NA	NA	2	2	NA	""
"687496"	"687496"	"Neuro_000427"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)n3cnc4c(N)nc(nc34)C#C[Si](C)(C)C"	0	""	""	2	2	390224	""
"687510"	"687510"	"[5-(6-Amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate"	"Nc1nc(nc2c1ncn2C3OC(COS(=O)(=O)N)C(O)C3O)C#C"	0	""	""	2	2	390226	""
"687521"	"687521"	"2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	1	1	390229	""
"687522"	"687522"	"2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	3	2	390230	""
"687523"	"687523"	"1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole"	"[O-][N+](=O)c1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccccc5"	0	""	""	3	2	390231	""
"687524"	"687524"	"Pyrazino[1,2-a]benzimidazole, 1-methylene- 3_(4-methylph..."	"Cc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	3	2	390232	""
"687526"	"687526"	"2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(C)cc5"	0	""	""	3	3	390234	""
"687527"	"687527"	"Pyrazino[1,2-a]benzimidazole, 3-(4-methoxyphenyl)- 1-met..."	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	4	4	390235	""
"687528"	"687528"	"2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(OC)cc5"	0	""	""	1	1	390236	""
"687529"	"687529"	"3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccccc5"	0	""	""	1	1	390237	""
"687530"	"687530"	"3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)N2C(=C)c3nc4ccccc4n3C=C2c5ccc(Cl)cc5"	0	""	""	1	1	390238	""
"687531"	"687531"	"Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	"COC(=O)CC1CN(C(=O)OCc2ccccc2)C(C)(C)O1"	0	""	""	1	1	390239	""
"687533"	"687533"	"Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate"	"Cc1ccc(cc1)S(=O)(=O)OCCC2CN(C(=O)OCc3ccccc3)C(C)(C)O2"	0	""	""	1	1	390241	""
"687534"	"687534"	"Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate"	"CC1(C)OC(CCC#N)CN1C(=O)OCc2ccccc2"	0	""	""	1	1	390242	""
"687541"	"687541"	"2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide"	"CC(C)CC(NC(=O)C(COc1ccc(cc1)[N+](=O)[O-])Cc2ccccc2)C(=O)Nc3ccccc3"	0	""	""	1	1	390249	""
"687543"	"687543"	""	"OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)OC(c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"687550"	"687550"	"6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one"	"CN1N(C(=O)C2=NC=C(C(=O)C)C12C)c3ccccc3"	0	""	""	1	1	390258	""
"687556"	"687556"	"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide"	"SC1=C(C#N)C(=C(C#N)C(=O)N1NS(=O)(=O)c2ccccc2)c3ccc(Cl)cc3"	0	""	""	1	1	390264	""
"687561"	"687561"	"N-[3,5-Dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)S"	0	""	""	1	1	390269	""
"687562"	"687562"	"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	"COc1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)S"	0	""	""	1	1	390270	""
"687572"	"687572"	"N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide"	"COc1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)O"	0	""	""	1	1	390280	""
"687578"	"687578"	"N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)C2=C(C#N)C(=C(C#N)C(=O)N2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4"	0	""	""	1	1	390286	""
"687584"	"687584"	"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccccc3)C(=C2C#N)O"	0	""	""	1	1	390292	""
"687585"	"687585"	"N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide"	"CN(C)c1ccc(cc1)C2=C(C#N)C(=O)N(NS(=O)(=O)c3ccc(C)cc3)C(=C2C#N)O"	0	""	""	1	1	390293	""
"687589"	"687589"	"N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide"	"Cc1ccc(cc1)C2=C(C#N)C(=C(C#N)C(=O)N2NS(=O)(=O)c3ccccc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	390297	""
"687598"	"687598"	"1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide"	"COc1cccc(NC(=O)C2=C(N)N(N)C(=O)C(=C2SC)C#N)c1"	0	""	""	1	1	390306	""
"687601"	"687601"	"STK993185"	"CSC(=C1C(=NN(C1=O)c2ccccc2)C)SC"	0	""	""	1	1	390309	""
"687606"	"687606"	"3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide"	"CSc1c(C(=O)Nc2ccc(C)cc2)c(N)nn1c3ccccc3"	0	""	""	1	1	390314	""
"687608"	"687608"	"5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide"	"COc1ccc(NC(=O)C2=C(SC)C(C#N)C(=O)N=C2N)cc1"	0	""	""	1	1	390316	""
"687612"	"687612"	""	"CCOC(=O)\C(=C/NC1=C(C)N(C)N(C1=O)c2ccccc2)\C(=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"687663"	"687663"	"AB01318947-02"	"Brc1cccc(\C=C\2/Cc3ccccc3C2=O)c1"	0	""	""	1	1	5469389	""
"687667"	"687667"	"6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one"	"COc1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	2	2	5351433	""
"687669"	"687669"	"(6E)-6-(p-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one"	"Cc1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	1	1	1241474	""
"687676"	"687676"	"5T-0302"	"CN(C)c1ccc(\C=C\2/CCCc3ccccc3C2=O)cc1"	0	""	""	2	2	1427939	""
"687677"	"687677"	"2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol"	"OCCN(CCO)c1ccc2c(cc(nc2n1)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	390341	""
"687707"	"687707"	"STK833340"	"CC(C)(C)c1cc(nn1c2ccccc2)c3cc(n(n3)c4ccccc4)C(C)(C)C"	0	""	""	1	1	390368	""
"687712"	"687712"	"AK-60394"	"O=C1OI(C#N)c2ccccc12"	0	""	""	1	1	390370	""
"687715"	"687715"	"3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile"	"FC(F)(F)C1(OI(C#N)c2ccccc12)C(F)(F)F"	0	""	""	1	1	390373	""
"687744"	"687744"	"Methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid"	"COC(=O)[C@@H](NC(=O)[C@H](N)Cc1ccc(cc1)N(CCCl)CCCl)C(C)C"	0	""	""	2	2	390389	""
"687746"	"687746"	"4-(Pyrrolizinoazo)anisole"	"COc1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	390392	""
"687747"	"687747"	"1-(4-Fluorophenylazo)pyrrolidine"	"Fc1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	390393	""
"687749"	"687749"	"N-(4-Trifluoromethylphenylazo)pyrrolidine"	"FC(F)(F)c1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	390395	""
"687751"	"687751"	"1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene"	"[O-][N+](=O)c1ccc(cc1)N=NN2CCCC2"	0	""	""	1	1	390397	""
"687763"	"687763"	"2-(2,6-Dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide"	"Clc1cccc(Cl)c1NCC(=O)NC2C=Cc3ccc(cc3C2=O)S(=O)(=O)Nc4c(Cl)cccc4Cl"	0	""	""	1	1	390409	""
"687767"	"687767"	"2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide"	"CC(=O)c1ccccc1NCC(=O)NN2C=Nc3ccc(cc3C2=O)S(=O)(=O)Nc4ccccc4C(=O)C"	0	""	""	1	1	390413	""
"687773"	"687773"	"3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	"COc1ccccc1NS(=O)(=O)c2ccc3N=CN(NS(=O)(=O)c4ccc(Cl)cc4)C(=O)c3c2"	0	""	""	1	1	390419	""
"687774"	"687774"	"3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide"	"COc1ccc(NS(=O)(=O)c2ccc3N=CN(NS(=O)(=O)c4ccc(I)cc4)C(=O)c3c2)cc1"	0	""	""	1	1	390420	""
"687779"	"687779"	"3-({6-[(2-Carboxyphenyl)sulfamoyl]-4-oxoquinazolin-3(4h)-yl}sulfamoyl)-4-methylbenzoic acid"	"Cc1ccc(cc1S(=O)(=O)NN2C=Nc3ccc(cc3C2=O)S(=O)(=O)Nc4ccccc4C(=O)O)C(=O)O"	0	""	""	1	1	390425	""
"687780"	"687780"	"3-Methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide"	"CC1=Cc2ccc(cc2C(=O)N1NS(=O)(=O)c3ccc(C)cc3)S(=O)(=O)Nc4ccccc4[N+](=O)[O-]"	0	""	""	1	1	390426	""
"687781"	"687781"	"N-[4-[[3-[(4-Acetamidophenyl)sulfonylamino]-2-methyl-4-oxoquinazolin-6-yl]sulfonylamino]phenyl]acetamide"	"CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3N=C(C)N(NS(=O)(=O)c4ccc(NC(=O)C)cc4)C(=O)c3c2)cc1"	0	""	""	2	1	390427	""
"687786"	"687786"	"2-Methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide"	"CC1=Nc2ccc(cc2C(=O)N1NS(=O)(=O)c3ccc(cc3)c4ccccc4)S(=O)(=O)NS(=O)(=O)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	390432	""
"687793"	"687793"	"1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol"	"COc1ccc(cc1OC)C2CC(=NN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4c(O)ccc5ccccc45"	0	""	""	2	2	390439	""
"687801"	"687801"	"1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CC(=O)N1N=C(CC1c2ccc(Cl)cc2Cl)c3ccc4ccccc4c3O"	0	""	""	1	1	390447	""
"687802"	"687802"	"(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone"	"CC(=O)N1N=C(CC1C(=O)c2occc2)c3ccc4ccccc4c3O"	0	""	""	1	1	390448	""
"687807"	"687807"	"[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone"	"Oc1c(ccc2ccccc12)C3=NN(C(C3)C(=O)c4occc4)c5ccc(cc5[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	390453	""
"687813"	"687813"	"2-[[2-(Furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione"	"O=C(C1SCC(=O)N1NC2=NC(=O)CC(=O)N2)c3occc3"	0	""	""	1	1	135450451	""
"687826"	"687826"	"4-Phenyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one"	"O=C1NC(=Nc2c1sc3nc4ccccc4n23)c5ccccc5"	0	""	""	2	1	135489880	""
"687849"	"687849"	"1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one"	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=O)C=C)cc1"	0	""	""	2	2	5351434	""
"687850"	"687850"	"4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]- 1-(1..."	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)C=C)cc1"	0	""	""	2	2	5469427	""
"687851"	"687851"	"4-Piperidinone, 3,5-bis[(4-methoxyphenyl)methylene]- 1-(..."	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)C=C)cc1"	0	NA	NA	2	2	NA	""
"687852"	"687852"	"4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]- 1-(1-..."	"[O-][N+](=O)c1ccc(\C=C\2/CN(C\C(=C/c3ccc(cc3)[N+](=O)[O-])\C2=O)C(=O)C=C)cc1"	0	NA	NA	2	2	NA	""
"687853"	"687853"	""	"CN(C)c1ccc(\C=C\2/CN(C\C(=C/c3ccc(cc3)N(C)C)\C2=O)C(=O)C=C)cc1"	0	NA	NA	1	1	NA	""
"687854"	"687854"	""	"COc1ccc(\C=C\C(=O)CCN2CCN(CCC(=O)\C=C\c3ccc(OC)cc3)CC2)cc1"	0	NA	NA	1	1	NA	""
"687861"	"687861"	"[3,4-Dibenzoyloxy-5-[4-naphthalen-1-yl-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate"	"O=C(OCC1OC(C(OC(=O)c2ccccc2)C1OC(=O)c3ccccc3)N4N=C(Cn5nnc(n5)c6cccnc6)N(C4=S)c7cccc8ccccc78)c9ccccc9"	0	""	""	1	1	390493	""
"687868"	"687868"	"1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea"	"COc1ccc(NC(=S)NNC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1"	0	""	""	1	1	3005271	""
"687870"	"687870"	"1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea"	"Cc1ccc(NC(=S)NNC(=O)c2cc(nc3ccccc23)c4ccccc4)cc1C"	0	""	""	1	1	3005273	""
"687937"	"687937"	"OKVIIDPNUHUPCM-UHFFFAOYSA-N"	"OCC(CO)NC(=O)c1ccc2cc([nH]c2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	390505	""
"687938"	"687938"	"Pervilleine A"	"COc1cc(\C=C\C(=O)OC2C(O)C3CC(CC2N3C)OC(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	1	1	5459292	""
"687939"	"687939"	"Methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate"	"COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@]2([C@@H]1c4ccccc4)c5ccc6OCOc6c5"	0	""	""	2	1	390507	""
"687945"	"687945"	"Benzoic acid, 2-hydroxy-4-[[(2,5-dihydroxyphenyl)-methyl..."	"COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O"	0	""	""	2	2	390508	"151391923"
"687956"	"687956"	""	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2(C1)OO"	0	NA	NA	1	1	NA	""
"687957"	"687957"	""	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2(C1)OO"	0	NA	NA	1	1	NA	""
"687958"	"687958"	"6-(1,5-Dimethyl-3-oxo-hexyl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one"	"CC(C)CC(=O)CC(C)C1CCC2(C)CC(=O)C=C(C)C2C1"	0	""	""	1	1	390517	""
"687961"	"687961"	"Artocarpetin A"	"COc1cc(O)c2C(=O)C=C(Oc2c1CC=C(C)C)c3ccc(O)cc3O"	0	""	""	1	1	390520	""
"687962"	"687962"	"Paclitaxel Ceribate"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OCC(O)CO"	0	""	""	2	2	390521	""
"687963"	"687963"	"(2S)-4-[(13S)-13-Hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one"	"CC(O)CCCCC(O)CCC[C@H](O)[C@H]1CCC(O1)[C@H]2CCC(O2)[C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O"	0	""	""	1	1	6712448	""
"687964"	"687964"	"(2S)-4-[(13R)-13-Hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CCC(O1)[C@H](O)CCCCC(=O)CCCCCCCC2=C[C@H](C)OC2=O"	0	""	""	2	2	390523	""
"687965"	"687965"	"(5s)-3-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-5-methyl-5h-furan-2-one"	"CCCCCCCCCCCCCOCCOCCOCCCCC(O)CCCCCCCCCC1=C[C@H](C)OC1=O"	0	""	""	1	1	390524	""
"687966"	"687966"	"(2S)-4-[12-[2-[2-(2-Decoxyethoxy)ethoxy]ethoxy]-8-hydroxydodecyl]-2-methyl-2H-furan-5-one"	"CCCCCCCCCCOCCOCCOCCOCCCCC(O)CCCCCCCC1=C[C@H](C)OC1=O"	0	""	""	2	2	390525	""
"687969"	"687969"	"5H-Quinindoline"	"c1ccc2nc3[nH]c4ccccc4c3cc2c1"	0	""	""	2	2	67484	""
"687980"	"687980"	"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CC=C4CC(CC[C@]34C)N5CCCC5)[C@@H]1C[C@H](C2O)n6ccnc6"	0	""	""	1	1	390532	""
"687981"	"687981"	"[(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate"	"CC(=O)OC1[C@@H](C[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)N5CCCC5)n6ccnc6"	0	""	""	1	1	390533	""
"688021"	"688021"	"Phosphorodiamidic acid, N,N-bis(2-bromoethyl)-, (5-nitro..."	"NP(=O)(OCc1ccc(s1)[N+](=O)[O-])N(CCBr)CCBr"	0	""	""	2	2	390534	""
"688022"	"688022"	"Phosphorodiamidic acid, N,N-bis(2-bromoethyl)-, (5-nitro..."	"NP(=O)(OCc1oc(cc1)[N+](=O)[O-])N(CCBr)CCBr"	0	""	""	2	2	390535	""
"688023"	"688023"	"Phosphorodiamidic acid, N,N-bis(2-bromoethyl)-, (1,4-dio..."	"NP(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr"	0	""	""	2	2	390536	""
"688026"	"688026"	""	"CCN1CCC(O)(\C=C\c2cccc(C)c2)C(C1)C(=O)\C=C\c3cccc(C)c3"	0	NA	NA	2	1	NA	""
"688027"	"688027"	"(2R,4R)-2,6,6-Trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide"	"CCCCCCCCCCCCCCC[C@@H]1C[N+](C)(C)CCO[P@](=O)(C)O1"	0	""	""	2	2	9572011	""
"688028"	"688028"	""	"CCCCCCCCCCCCCCC[C@@H](O)C[N+](C)(C)CCO"	0	NA	NA	3	3	NA	""
"688035"	"688035"	"1-Benzyloxymethyl-6-nitro-2,4(1H,3H)-quinazolinedione"	"[O-][N+](=O)c1ccc2N(COCc3ccccc3)C(=O)NC(=O)c2c1"	0	""	""	1	1	390547	""
"688037"	"688037"	"3-Benzyloxymethyl-5-bromo-4(3H)-quinazalone, hydrochloride"	"Brc1ccc2N=CN(COCc3ccccc3)C(=O)c2c1"	0	NA	NA	1	1	NA	""
"688041"	"688041"	"1-Fluoro-2,4-dinitro-imidazole"	"[O-][N+](=O)c1cn(F)c(n1)[N+](=O)[O-]"	0	""	""	2	2	390555	""
"688045"	"688045"	"(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-t"	"CC(C)[C@H]1NC(=O)[C@H]2N=C(S[C@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CSC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7CSC1=N7"	0	""	""	1	1	390559	""
"688046"	"688046"	"(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-te"	"CC(C)[C@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5COC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7COC1=N7"	0	""	""	1	1	390560	""
"688047"	"688047"	"(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,2"	"CC(C)[C@@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]3CCCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]5CSC(=N5)[C@@H](Cc6ccccc6)NC(=O)[C@@H]7CSC1=N7"	0	""	""	1	1	390561	""
"688071"	"688071"	"2-[[(E)-(4-Methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide"	"COc1ccc(cc1)N=NC(=O)NC(CC(C)C)C(=O)N"	0	""	""	2	2	390563	""
"688074"	"688074"	"Physalin H"	"C[C@@]12C[C@H]3OC(=O)C1CO[C@]45O[C@@]6([C@H]2C4=O)[C@@]3(C)OC(=O)[C@]6(O)CC[C@H]7[C@H]5C[C@@H](O)[C@@]8(Cl)CC=CC(=O)[C@]78C"	0	NA	NA	2	2	NA	"70241097"
"688077"	"688077"	"Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate"	"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)c1nc(cs1)C(=O)N"	0	""	""	1	1	390568	""
"688111"	"688111"	"5-(Pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidin-2-amine"	"Nc1ncc2C(Oc3ccccc3c2n1)N4CCCC4"	0	""	""	1	1	390588	""
"688217"	"688217"	"Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)"	"NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O"	0	""	""	1	1	390616	""
"688219"	"688219"	"[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-Diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate"	"C\C=C(\C)/C(=O)O[C@@H]1[C@H](OC(=O)C)\C(=C\[C@@]23O[C@@]2(C[C@@H](C)C3=O)C(=O)[C@@H](C)[C@H](OC(=O)C)[C@@H]4[C@H]1C4(C)C)\C"	0	""	""	1	1	5469438	""
"688220"	"688220"	"[(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-"	"CCC(C)C(=O)O[C@H]1[C@@H](O)C(C)(C)\C=C\[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@@H](OC(=O)C(C)CC)C(=C)[C@@H]1OCC(C)C"	0	""	""	2	2	5469439	""
"688222"	"688222"	"(1R,2R,6R,10S,11R,13S,14R,15R)-1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one"	"CC(C)CO[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14OCC(C)C)CO"	0	""	""	2	2	390621	""
"688228"	"688228"	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate"	"CC(C)CO[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)\C=C\[C@H](C)C(=O)[C@]2(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@@]13OC(=O)c4ccccc4)OC(=O)C"	0	""	""	1	1	5469441	""
"688229"	"688229"	"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate"	"CCCO[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)\C=C\[C@H](C)C(=O)[C@]2(C[C@@](C)(OC(=O)C)[C@H](OC(=O)C)[C@@H]2[C@H]3OC(=O)CC[C@@]13OC(=O)c4ccccc4)OC(=O)C"	0	""	""	1	1	5469442	""
"688230"	"688230"	"[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(Acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoa"	"C\C=C(\C)/C(=O)O[C@H]1C(=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(COC(=O)C)[C@@H](O)[C@]12O)C3=O)[C@]4(C)OC(=O)\C(=C/C)\C)C"	0	""	""	2	2	54608453	""
"688233"	"688233"	"MEGxp0_001935"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H](CC(C)(C)C5=O)[C@@](C)([C@H]2OC(=O)C)C4OC(=O)C)OC(=O)C"	0	""	""	2	1	11972628	""
"688234"	"688234"	"2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol"	"CC1CCC2C(C)(C)CC3(C)CCC1C23O"	0	""	""	1	1	390632	""
"688235"	"688235"	"[(1R,2R,3Ar,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annul"	"CC(C)CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)\C=C\[C@H](C)[C@H](OC(=O)C)[C@@]3(O)C[C@@](C)(OC(=O)C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@@H](OC(=O)C)C1=C"	0	""	""	2	2	5469445	""
"688237"	"688237"	"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-Triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)C)[C@]4(C)C[C@]5(OC(=O)C)[C@@H](CC(C)(C)C5=O)[C@]4(C)[C@H]2OC(=O)C"	0	""	""	1	1	390635	""
"688239"	"688239"	"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate"	"C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c3ccccc3)[C@@H](OC(=O)COC(=O)C)[C@]4(C[C@@H]5[C@H]([C@H](OC(=O)C)C(C)(C)C5=O)[C@](C)(C4)[C@H]2OC(=O)C)OC(=O)C"	0	""	""	2	2	11972629	""
"688246"	"688246"	"Juvenate"	"COC(=O)\C=C(/C)\CC\C=C(/C)\CCC1OC1(C)C"	0	""	""	1	1	5367549	""
"688259"	"688259"	"Taspine"	"COc1ccc2C(=O)Oc3c(OC)cc(CCN(C)C)c4C(=O)Oc1c2c34"	0	""	""	1	1	215159	""
"688274"	"688274"	"[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](OC(=O)C(C)(C)CO)[C@@H]14"	0	""	""	2	2	390662	""
"688277"	"688277"	"Isopinnatal"	"C[C@@]12CCC3C1C=C4C(=O)c5cc(O)ccc5C(=O)[C@]4(O2)[C@@]3(C)C=O"	0	""	""	1	1	390665	""
"688285"	"688285"	"7,8-Dehydrocalotropin"	"C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC=C5[C@@H]4CC[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C[C@H]3O[C@@H]2O1"	0	NA	NA	2	2	NA	""
"688298"	"688298"	"[Co(Me2dtc)2(DEE)]ClO4"	"CC[N+]1(CC)CC[NH2+][Co+3]123([SH-]C(=S2)N(C)C)[SH-]C(=S3)N(C)C.[O-]Cl(=O)(=O)=O"	0	NA	NA	1	1	NA	""
"688303"	"688303"	"Neuro_000437"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(NO)cc34"	0	""	""	2	1	390671	""
"688304"	"688304"	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(NCCN)cc34"	0	NA	NA	2	2	NA	""
"688305"	"688305"	"(3-Methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(=C)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	390674	""
"688315"	"688315"	"2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide"	"COc1ccccc1C(=O)NCC2CCCN3CCCCC23"	0	""	""	1	1	390679	""
"688325"	"688325"	""	"Cc1cc(nc(Cl)n1)[C@H](C#N)c2nc3ccccc3s2"	0	NA	NA	1	1	NA	""
"688326"	"688326"	""	"Cc1cc(nc(Cl)n1)[C@H](C#N)c2nc3ccccc3[nH]2"	0	NA	NA	1	1	NA	""
"688328"	"688328"	""	"Clc1nc2ccccc2nc1[C@H](C#N)c3nc4ccccc4s3"	0	NA	NA	1	1	NA	""
"688329"	"688329"	""	"Clc1nc2ccccc2nc1[C@H](C#N)c3nc4ccccc4[nH]3"	0	NA	NA	2	2	NA	""
"688340"	"688340"	"Dimethyl [2-(phenylthio)ethyl]malonate"	"COC(=O)C(CCSc1ccccc1)C(=O)OC"	0	""	""	1	1	390699	""
"688342"	"688342"	"3-Butyl-1,4-dihydropyrazol-5-one"	"CCCCC1=NNC(=O)C1"	0	""	""	1	1	390701	""
"688346"	"688346"	"1-(2-Cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea"	"O=C(Nc1ccccc1)N(CCCN(CCC#N)C(=O)Nc2ccccc2)CCCN(C(=O)Nc3ccccc3)c4ccccc4"	0	""	""	2	1	390704	""
"688349"	"688349"	"1-(2-Cyanoethyl)-1',3,3'-triphenyl[1,1'-ethylenebisurea]"	"O=C(Nc1ccccc1)N(CCC#N)CCN(C(=O)Nc2ccccc2)c3ccccc3"	0	""	""	2	1	390707	""
"688351"	"688351"	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c3ccccc3"	0	NA	NA	1	1	NA	""
"688358"	"688358"	"3-[1-[2-[1-[2-(1,3-Diphenylureido)ethyl]-3-phenylureido]ethyl]-3-phenylureido]propiononitrile"	"O=C(Nc1ccccc1)N(CCC#N)CCN(CCN(C(=O)Nc2ccccc2)c3ccccc3)C(=O)Nc4ccccc4"	0	""	""	1	1	390716	""
"688360"	"688360"	""	"CC[C@H](C)[C@H](NC(=O)N(CCC#N)CCN(CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)c2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)OC)C(=O)OC"	0	NA	NA	1	1	NA	""
"688362"	"688362"	"N-(9-Ethylpurin-6-yl)acetamide"	"CCn1cnc2c(NC(=O)C)ncnc12"	0	""	""	1	1	390720	""
"688365"	"688365"	""	"CCOC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC)c3ccccc3)ccc1OC"	0	NA	NA	1	1	NA	""
"688371"	"688371"	""	"CCN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSC)C(=O)N[C@@H](C)C(=O)OC)c1ccccc1"	0	NA	NA	1	1	NA	""
"688484"	"688484"	""	"[NH3+][Pt+2]([NH3+])([ClH-])[NH2+]CCCCCC[NH2+][Pt+2]([NH3+])([NH3+])[NH2+]CCCCCC[NH2+][Pt+2]([NH3+])([NH3+])[ClH-].[O-][N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"688493"	"688493"	"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4cc(Cl)ccc4[n+]3[O-]"	0	""	""	2	2	390734	""
"688497"	"688497"	"N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide"	"[O-][n+]1onc(c1\C=N\NC(=O)N2CCOCC2)c3ccccc3"	0	""	""	1	1	135493990	""
"688500"	"688500"	"5-(4-Methoxyphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one"	"COc1ccc(cc1)N2CC3=Nc4sc5CCCCc5c4C(=O)N3N=C2"	0	""	""	1	1	390741	""
"688501"	"688501"	"5-(4-Chlorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one"	"Clc1ccc(cc1)N2CC3=Nc4sc5CCCCc5c4C(=O)N3N=C2"	0	""	""	1	1	390742	""
"688515"	"688515"	"[6-[[(5S,8Ar,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acety"	"COc1cc(cc(OC)c1OC(=O)CN2CCN(C)CC2)[C@H]3[C@@H]4C(COC4=O)[C@H](OC5OC6COC(C)OC6C(OC(=O)CN7CCN(C)CC7)C5OC(=O)CN8CCN(C)CC8)c9cc%10OCOc%10cc39"	0	""	""	1	1	390757	""
"688526"	"688526"	"Ethyl 5-(2-chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(C=Nc1c23)c4ccccc4Cl"	0	""	""	1	1	390763	""
"688529"	"688529"	"(E)-(4-Acetyloxy-4-cyano-2-methylbutan-2-yl)-[(4-acetyloxy-4-cyano-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium"	"CC(=O)OC(CC(C)(C)[N+](=[N+]([O-])C(C)(C)CC(OC(=O)C)C#N)[O-])C#N"	0	""	""	1	1	135493991	""
"688531"	"688531"	"1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)..."	"Cc1ccc(cc1)S(=O)(=O)c2[nH]cc(\C(=C/C3CCCCC3)\[N+](=O)[O-])c2C4CCCCC4"	0	NA	NA	2	2	NA	""
"688535"	"688535"	"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate"	"COC(=O)Cc1c([nH]c2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	""	""	2	2	390772	""
"688537"	"688537"	"5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol"	"CC(Cc1ccccc1)Nc2ncnc3c2ncn3C4OC(CO)CC4O"	0	""	""	1	1	496402	""
"688541"	"688541"	"7-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one"	"OCC1OC(CC1O)n2cnc3C(=O)N(Cc4ccccc4[N+](=O)[O-])N=Nc23"	0	""	""	1	1	390776	""
"688542"	"688542"	"5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azaino..."	"COc1ccc(cc1)C(OCC2OC(C(O)C2O)n3cnc4C(=O)N(Cc5ccccc5[N+](=O)[O-])N=Nc34)(c6ccccc6)c7ccc(OC)cc7"	0	""	""	2	2	390777	""
"688687"	"688687"	"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-2..."	"CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(Cc4c(CCl)c5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	2	2	NA	""
"688689"	"688689"	"1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1cc(Cl)n2c3ccccc3nc2c1C#N"	0	""	""	2	2	390778	""
"688713"	"688713"	""	"C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CCC(OC(=O)c5cccc6C(=O)c7ccccc7Nc56)[C@@]4(C)CC[C@@H]3[C@@]12C"	0	NA	NA	1	1	NA	""
"688714"	"688714"	""	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2OC(=O)c6cccc7C(=O)c8ccccc8Nc67"	0	NA	NA	1	1	NA	""
"688719"	"688719"	"N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	"COc1ccccc1Nc2nc(N)nc(N)c2N=O"	0	""	""	1	1	390785	""
"688720"	"688720"	"N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine"	"COc1cccc(Nc2nc(N)nc(N)c2N=O)c1"	0	""	""	1	1	390786	""
"688724"	"688724"	"N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine"	"CCOc1ccc(Nc2nc(N)nc(N)c2N)cc1"	0	""	""	1	1	390790	""
"688726"	"688726"	"3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine"	"COc1cccc(c1)n2nnc3c(N)nc(N)nc23"	0	""	""	1	1	390792	""
"688791"	"688791"	"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienylmethyl]a..."	"COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1O"	0	""	""	1	1	390795	""
"688792"	"688792"	"Phenylphosphonic acid, 4-[[(2,5-dihydroxyphenyl)methyl]a..."	"COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	2	1	390796	""
"688794"	"688794"	"7,8-Diacetoxy-4-methylcoumarin"	"CC(=O)Oc1ccc2C(=CC(=O)Oc2c1OC(=O)C)C"	0	""	""	1	1	390798	""
"688804"	"688804"	"Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate"	"CCOC(=O)CC1=C(C)c2ccc(OC(=O)C)c(OC(=O)C)c2OC1=O"	0	""	""	1	1	390806	""
"688810"	"688810"	"Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC"	0	""	""	1	1	390808	""
"688812"	"688812"	""	"CCOC(=O)CC[C@H](NC(=O)c1ccc(CNc2nc3cc(ccc3nc2C(=O)OCC)C(F)(F)F)cc1)C(=O)OCC"	0	NA	NA	2	2	NA	""
"688814"	"688814"	"Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	2	390812	""
"688816"	"688816"	"Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccc(cc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	390814	""
"688818"	"688818"	"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid"	"COc1cc(CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	390816	""
"688822"	"688822"	"Q27453567"	"OC(=O)c1nc2ccc(cc2nc1NCc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	390820	""
"688881"	"688881"	""	"OC[C@H](O)[C@@H](OCc1ccccc1)[C@H](NCc2ccccc2)c3cccs3"	0	NA	NA	1	1	NA	""
"688892"	"688892"	""	"CC1[C@H](COC(=O)N1Cc2ccccc2)OCc3ccccc3"	0	NA	NA	1	1	NA	""
"688895"	"688895"	""	"CC(C)C[C@H]1[C@H](COS(=O)(=O)N1[C@H](C)c2ccccc2)OCc3ccccc3"	0	NA	NA	3	3	NA	""
"688937"	"688937"	"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one"	"Cc1ccc(\C=C\2/NC(=S)N(CN3CCCCC3)C2=O)cc1"	0	""	""	1	1	5469474	""
"688943"	"688943"	"(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one"	"COc1ccc(\C=C\2/N=C(SC)N(CN3CCOCC3)C2=O)cc1"	0	""	""	1	1	5469480	""
"688944"	"688944"	"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one"	"CSC1=N\C(=C/c2ccc(C)cc2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	5469481	""
"688945"	"688945"	"(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one"	"CSC1=N\C(=C/c2ccc(Cl)cc2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	5469482	""
"688946"	"688946"	"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one"	"CSC1=N\C(=C/c2cccs2)\C(=O)N1CN3CCOCC3"	0	""	""	1	1	5469483	""
"688949"	"688949"	"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one"	"COc1ccc(\C=C\2/N=C(SC)N(CN3CCCCC3)C2=O)cc1"	0	""	""	1	1	5469486	""
"688951"	"688951"	"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one"	"CSC1=N\C(=C/c2ccc(Cl)cc2)\C(=O)N1CN3CCCCC3"	0	""	""	1	1	5469488	""
"688978"	"688978"	"Perylene-4,9-dione, 5,8-dihydroxy-1,3,10,12-tetramethoxy..."	"CCCC1=C(O)C(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5C(=O)C(=C(CCC)c(c1c23)c45)O"	0	""	""	2	2	390875	""
"688980"	"688980"	"2,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione"	"COc1cc(OC)c2c3c(OC)cc(OC)c4C(=O)C(=C(C[C@@H](C)O)c(c5C(=C(O)C(=O)c1c25)C[C@@H](C)O)c34)O"	0	""	""	1	1	390877	""
"688991"	"688991"	"4-(Bromomethyl)pent-4-enoxymethylbenzene"	"BrCC(=C)CCCOCc1ccccc1"	0	""	""	1	1	390880	""
"688992"	"688992"	"4-(Benzyloxy)-2-hydroxybutanenitrile"	"OC(CCOCc1ccccc1)C#N"	0	""	""	1	1	390881	""
"688993"	"688993"	"1-Heptylsulfanyl-3-trityloxy-propan-2-ol"	"CCCCCCCSCC(O)COC(c1ccccc1)(c2ccccc2)c3ccccc3"	0	""	""	1	1	390882	""
"688994"	"688994"	"2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane"	"C1CCC(OC2COC(OC2)c3ccccc3)OC1"	0	""	""	1	1	390883	""
"688995"	"688995"	""	"CCCCCCCCCCCCCCCCOC[C@@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)OP(=S)OC"	0	NA	NA	1	1	NA	""
"688997"	"688997"	"2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenylpyrazol-3-yl]-5-methylphenol"	"COc1ccc(cc1)C2CC(=NN2c3ccccc3)c4c(C)nn(c5ccccc5)c4c6ccc(C)cc6O"	0	""	""	2	2	390886	""
"688998"	"688998"	"Methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate"	"COC(=O)c1oc2Sc3ccccc3NC(=O)c2c1"	0	""	""	1	1	390887	""
"689000"	"689000"	"Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methylindole-3-carboxylate"	"CCCCn1c(C)c(C(=O)OCC)c2cc(OCc3ccc(cc3)C(=O)Nn4c(C)ccc4C)c(Br)cc12"	0	""	""	1	1	390889	""
"689001"	"689001"	"Benzenemethanol, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-..."	"OC(c1ccc(NCc2cc(O)ccc2O)cc1)C(F)(F)F"	0	""	""	1	1	390890	""
"689003"	"689003"	"Acriflavine hydrochloride"	"[Cl-].[Cl-].C[n+]1c2cc(N)ccc2cc3ccc(N)cc13.Nc4ccc5cc6ccc(N)cc6nc5c4"	0	NA	NA	1	1	NA	"8063249"
"689068"	"689068"	"11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole"	"C(Cn1c2c(CCc3ccccc23)c4ccccc14)N5CCCCC5"	0	""	""	1	1	390893	""
"689069"	"689069"	"4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"C(Cn1c2c(CCc3ccccc23)c4ccccc14)N5CCOCC5"	0	""	""	1	1	390894	""
"689070"	"689070"	"5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole"	"CN(C)CCn1c2c(CCc3ccccc23)c4ccccc14"	0	""	""	1	1	390895	""
"689073"	"689073"	"4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2CCc3c(c2c1)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	390898	""
"689081"	"689081"	"5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole"	"COc1ccc2c(CCc3c2n(CCN(C)C)c4ccc(OC)cc34)c1"	0	""	""	1	1	390906	""
"689131"	"689131"	"4-(4-Methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)c7ccccc7"	0	""	""	3	2	390910	""
"689132"	"689132"	"1H,3H-Benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)c7ccccc7"	0	""	""	2	2	390911	""
"689133"	"689133"	"1H,3H-Benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OCc7ccccc7)cc56)C3C2=O)c8ccccc8"	0	""	""	3	2	390912	""
"689134"	"689134"	"4-(4-Methoxyphenyl)-18-methyl-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6c(C)cccc56)C3C2=O)c7ccccc7"	0	""	""	1	1	390913	""
"689135"	"689135"	"16-Fluoro-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(F)cc56)C3C2=O)c7ccccc7"	0	""	""	1	1	390914	""
"689136"	"689136"	"4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)C"	0	""	""	1	1	390915	""
"689137"	"689137"	"16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OC)cc56)C3C2=O)C(C)C"	0	""	""	2	2	390916	""
"689138"	"689138"	"1H,3H-Benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(OCc7ccccc7)cc56)C3C2=O)C(C)C"	0	""	""	2	2	390917	""
"689139"	"689139"	"4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)C"	0	""	""	1	1	390918	""
"689140"	"689140"	"1H,3H-Benzo[c]pyrrolo[3,4-a]carbazole-1,3-dione, 2,3a,3b..."	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)c7ccccc7"	0	""	""	2	2	390919	""
"689141"	"689141"	"4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"COc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6c(C)cccc56)C3C2=O)C(C)C"	0	""	""	1	1	390920	""
"689176"	"689176"	"6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile"	"CSc1ncc2C(=C3Nc4ccccc4N3C(=O)c2n1)C#N"	0	""	""	1	1	390930	""
"689187"	"689187"	"STK761207"	"C(OC1C2COC(O2)C(OCc3ccccc3)C1OCc4ccccc4)c5ccccc5"	0	""	""	1	1	390934	""
"689193"	"689193"	"4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol"	"CC1(CCCCO)CCC(C=C1)S(=O)(=O)c2ccccc2"	0	""	""	1	1	390940	""
"689194"	"689194"	"[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate"	"OC1(CCCCC1)C2CC(COC(=O)c3ccccc3)OC2=O"	0	""	""	1	1	390941	""
"689198"	"689198"	"[2-Benzoyloxy-1-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate"	"OC1(CCCCC1)C2CC(OC2=O)C(COC(=O)c3ccccc3)OC(=O)c4ccccc4"	0	""	""	1	1	390945	""
"689201"	"689201"	""	"COC(=O)C([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc3ccccc3)C(C)(O)CCc4ccccc4"	0	NA	NA	1	1	NA	""
"689205"	"689205"	"1,5-Dimethyltricyclo[3.3.0.02,8]octane-3,7-dione"	"C[C@@]12CC(=O)C3C(C(=O)C1)[C@@]23C"	0	""	""	1	1	390952	""
"689213"	"689213"	""	"COC(=O)\C=C/COCC1C2CCC(=O)C12"	0	NA	NA	1	1	NA	""
"689222"	"689222"	"4,6,6-Trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one"	"CC1(CC(=O)C2CC1C2(C)C)\C=C\CCSc3ccccc3"	0	""	""	2	2	5469503	""
"689224"	"689224"	""	"CCCCCC(OCOCCOC)\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C(O)CCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C"	0	NA	NA	2	1	NA	""
"689227"	"689227"	"3-Hydroxy-4-[4-[3-(4-isopropylcyclohexanony)butyl]]cyclo..."	"CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C"	0	""	""	2	1	496447	""
"689228"	"689228"	"Cyclopentanone, 3-[3-[(2-methoxyethoxy)methoxy]oct-1-eny..."	"CCCCCC(OCOCCOC)\C=C\[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C"	0	""	""	2	2	5351437	""
"689278"	"689278"	""	"Clc1ccccc1\C=C\2/COCC3=C2NC(=S)NC3c4ccccc4Cl"	0	NA	NA	1	1	NA	""
"689280"	"689280"	""	"Brc1ccc(\C=C\2/COCC3=C2N=C4SCC(=O)N4C3c5ccc(Br)cc5)cc1"	0	NA	NA	1	1	NA	""
"689290"	"689290"	"calcein am"	"CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)Cc1cc2c(Oc3cc(OC(=O)C)c(CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)cc3C24OC(=O)c5ccccc45)cc1OC(=O)C"	0	NA	NA	1	1	NA	""
"689291"	"689291"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C)OC(=O)OCCC(O)CO"	0	""	""	2	2	390987	""
"689292"	"689292"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCCC(O)CO)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	390988	""
"689297"	"689297"	"1H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one"	"O=C1c2nc3ccccc3c4ccnc(c5ncsc15)c24"	0	""	""	2	2	390989	""
"689403"	"689403"	"5,6-Dihydroxynaphthalene-2-carboxylic acid"	"OC(=O)c1ccc2c(O)c(O)ccc2c1"	0	""	""	2	2	390997	""
"689404"	"689404"	"1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane"	"Oc1ccc2cc(ccc2c1O)C(=O)NCCCNC(=O)c3ccc4c(O)c(O)ccc4c3"	0	""	""	2	1	390998	""
"689407"	"689407"	"3-(3-Hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide"	"Oc1cccc(CCC(=O)NCCCNC(=O)CCc2cccc(O)c2)c1"	0	""	""	1	1	391000	""
"689410"	"689410"	"4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid"	"OC(=O)c1ccc(cc1)C(C2=C(O)c3ccccc3OC2=O)C4=C(O)c5ccccc5OC4=O"	0	""	""	1	1	54695483	""
"689412"	"689412"	"3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one"	"OC1=C(C(C2=C(O)c3ccccc3OC2=O)c4ccc(OCc5ccc(cc5)C(=O)c6ccccc6)cc4)C(=O)Oc7ccccc17"	0	""	""	1	1	54680779	""
"689414"	"689414"	"4,4'-Dihydroxy-3,3'-dinitrobenzophenone"	"Oc1ccc(cc1[N+](=O)[O-])C(=O)c2ccc(O)c(c2)[N+](=O)[O-]"	0	""	""	1	1	391007	""
"689431"	"689431"	"N,N-Diisopropylbenzamide, 4-[[(2,5-dihydroxyphenyl)-meth..."	"CC(C)N(C(C)C)C(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	391016	""
"689432"	"689432"	"Tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate"	"CC(C)(C)OC(=O)NNCC(O)COc1ccccc1"	0	""	""	1	1	391017	""
"689440"	"689440"	"Conyzenol-19-succinate"	"C[C@@]1(COC(=O)CCC(=O)O)CCC[C@@]2(C)[C@H](CCC3=CC(=O)OC3)C(=C)CC[C@H]12"	0	""	""	1	1	391020	""
"689441"	"689441"	"(3As,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one"	"C[C@@]1(O)CCC2C1[C@H]3OC(=O)C(=C)[C@@H]3C[C@@H](O)C2=C"	0	""	""	1	1	391021	""
"689443"	"689443"	"hyperbrasilol C"	"CC(C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC2=C(O)C(CC=C(C)C)(C(=O)C(C)C)C(=C(C)C2=O)O)c1O"	0	""	""	2	1	391023	""
"689448"	"689448"	"6,6'-(pyridine-2,6-diyldiethyne-2,1-diyl)dipyridin-2-amine"	"Nc1cccc(n1)C#Cc2cccc(n2)C#Cc3cccc(N)n3"	0	""	""	1	1	391025	""
"689449"	"689449"	"Neuro_000442"	"CC(C)(C)c1ccc2OCC3(COc4ccc(cc4CNCCNCc5cc(ccc5OC3)C(C)(C)C)C(C)(C)C)COc6ccc(cc6CNCCNCc2c1)C(C)(C)C"	0	""	""	3	1	391026	""
"689466"	"689466"	"Desmethoxycentaureidin"	"COc1ccc(cc1O)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2"	0	""	""	2	2	5469524	""
"689529"	"689529"	"N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide"	"COc1ccc(O)c(\C=N\NC(=S)N2CCCCC2)c1"	0	""	""	3	2	135484939	""
"689530"	"689530"	"N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide"	"Oc1ccc(cc1\C=N\NC(=S)N2CCCCC2)[N+](=O)[O-]"	0	""	""	2	2	135484941	""
"689531"	"689531"	"Hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene..."	"S=C(NCCc1ccccn1)N\N=C(/c2ccccc2)\c3ccccn3"	0	""	""	2	2	9571616	""
"689532"	"689532"	"1-Methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea"	"CN(CCc1ccccn1)C(=S)N\N=C(/c2ccccc2)\c3ccccn3"	0	""	""	2	2	9571617	""
"689533"	"689533"	"Hydrazinecarbothioamide, 2-[(2-pyridinyl)phenylmethylene..."	"S=C(N\N=C(\c1ccccc1)/c2ccccn2)N(Cc3ccccn3)Cc4ccccn4"	0	NA	NA	2	2	NA	""
"689534"	"689534"	"Hydrazinecarbothioamide, N,N-bis[(2-pyridinyl)methyl]-2-..."	"S=C(N\N=C/c1ccccn1)N(Cc2ccccn2)Cc3ccccn3"	0	NA	NA	2	2	NA	""
"689535"	"689535"	""	"CN(CCc1ccccn1)C(=S)N\N=C(\C)/c2cnccn2"	0	NA	NA	2	2	NA	""
"689536"	"689536"	"1-[(Z)-1-Pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea"	"C\C(=N\NC(=S)NCCc1ccccn1)\c2cnccn2"	0	""	""	1	1	5903816	""
"689537"	"689537"	"3-[(Z)-1-Pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea"	"C\C(=N\NC(=S)N(Cc1ccccn1)Cc2ccccn2)\c3cnccn3"	0	""	""	2	2	5889737	""
"689539"	"689539"	"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea"	"O=C(N\N=C(/c1ccccc1)\c2ccccn2)NC3CCCCC3"	0	""	""	1	1	6179448	""
"689540"	"689540"	"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea"	"S=C(N\N=C(/c1ccccc1)\c2ccccn2)NC3CCCCC3"	0	""	""	2	2	5871897	""
"689543"	"689543"	"Piperazine-1,4-dicarbothiohydrazide"	"NNC(=S)N1CCN(CC1)C(=S)NN"	0	""	""	1	1	3001885	""
"689544"	"689544"	"1-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1cc(OC)ccc1O"	0	""	""	2	2	135493993	""
"689545"	"689545"	"3-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	"COc1ccc(O)c(c1)\C(=N\NC(=S)N(C)C)\C"	0	""	""	2	2	135493994	""
"689546"	"689546"	"1-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1ccc(OC)cc1O"	0	""	""	2	2	135493995	""
"689547"	"689547"	"3-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea"	"COc1ccc(\C(=N\NC(=S)N(C)C)\C)c(O)c1"	0	""	""	1	1	135493996	""
"689548"	"689548"	"1-[(E)-1-(2-Hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea"	"CNC(=S)N\N=C(/C)\c1cc(OC)c(OC)cc1O"	0	""	""	1	1	135493997	""
"689577"	"689577"	"ANTINEOPLASTIC-689577"	"CCC(C)(CC(C)(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)NC3CC(OC4CC(O)(Cc5c(O)c6C(=O)c7cccc(OC)c7C(=O)c6c(O)c45)C(=O)CO)OC(C)C3O)C(=O)NCC(C)O"	0	""	""	2	1	54608780	""
"689581"	"689581"	"4-Methyl-6,13,16-trioxa-2,4-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene"	"CN1COCc2cc3cc4OCCOc4cc3nc12"	0	""	""	1	1	391049	""
"689600"	"689600"	""	"NC1CC(=O)c2c(I)sc(I)c12"	0	NA	NA	2	2	NA	""
"689601"	"689601"	""	"NC1CC(=O)c2csc(Br)c12"	0	NA	NA	2	2	NA	""
"689602"	"689602"	"2H-Thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole- 2,7(3..."	"Clc1sc(Cl)c2C(=O)[C@H]3OC(=O)N[C@H]3c12"	0	NA	NA	2	2	NA	""
"689610"	"689610"	""	"COC(=O)[C@@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc3ccccc23"	0	NA	NA	1	1	NA	""
"689614"	"689614"	""	"C[C@]12C[C@H](N3CCCCSC3=N1)c4ccccc4O2"	0	NA	NA	1	1	NA	""
"689620"	"689620"	""	"C[C@H](CCC1=NCCN1)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C"	0	NA	NA	2	2	NA	""
"689622"	"689622"	""	"C[C@H](CCC1=NCCN1)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C"	0	NA	NA	1	1	NA	""
"689626"	"689626"	"8-Thia-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene"	"S1c2ccccc2c3nccc4ccnc1c34"	0	""	""	1	1	391091	""
"689627"	"689627"	"Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide"	"O=S1(=O)c2ccccc2c3nccc4ccnc1c34"	0	""	""	1	1	391092	""
"689712"	"689712"	"N-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)CN4C(=O)N(C)C(=O)c5c4nc6N(C)C(=O)N(C)C(=O)c6[n+]5[O-])c2c1"	0	""	""	2	1	496464	""
"689714"	"689714"	"[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane"	"Cc1cccc(CP(Cc2cccc(C)c2)CC3(Cp4c5ccccc5c6ccccc46)COC3)c1"	0	""	""	2	2	391096	""
"689721"	"689721"	"2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole"	"FC(F)(F)c1cccnc1Sc2nc3ccccc3s2"	0	""	""	1	1	391103	""
"689727"	"689727"	"7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]"	0	""	""	2	2	135418452	""
"689728"	"689728"	"2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole"	"Cc1nc2c(ccc3[nH]c4ccccc4c23)s1"	0	""	""	1	1	391110	""
"689729"	"689729"	"Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate"	"COC(=O)C1=C(C(=O)OC)C(=O)C2=C(S1)C(=O)C(=C(S2)C(=O)OC)C(=O)OC"	0	""	""	2	1	391111	""
"689731"	"689731"	""	"[Na+].NC1=N\C(=C(\C#N)/C(C#N)C#N)\C(=C1C#N)C#N"	0	NA	NA	2	1	NA	""
"689732"	"689732"	"Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate"	"CCOC(=O)C1S\C(=C(/C)\C(=O)OC)\NC=C1C(=O)OCC"	0	""	""	2	1	3005309	""
"689733"	"689733"	""	"CSC1=N[C@@H](CS1)c2ccccc2"	0	NA	NA	1	1	NA	""
"689735"	"689735"	"Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate"	"CCOP(=O)(OCC)C1=C(NC(=O)C=C1C(=O)OC)c2ccc(C)cc2"	0	""	""	2	2	391117	""
"689736"	"689736"	""	"C[C@@H](C1CCCCC1)N2COc3c(C2)c(O)c4cc3C(C)c5cc(C(C)c6cc(C(C)c7cc(C4C)c8OCN(Cc8c7O)[C@@H](C)C9CCCCC9)c%10OCN(Cc%10c6O)[C@@H](C)C%11CCCCC%11)c%12OCN(Cc%12c5O)[C@@H](C)C%13CCCCC%13"	0	NA	NA	2	1	NA	""
"689739"	"689739"	"5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene"	"C1COC2SC3=C(SC2O1)SC(=C4SC5=C(SCCS5)S4)S3"	0	""	""	1	1	391121	""
"689740"	"689740"	"1-[5-[5-(4-Acetyl-5-sulfanylidene-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone"	"CC(=O)N1N=C(OC1=S)c2[nH]c(C)c(C3=NN(C(=O)C)C(=S)O3)c2C"	0	""	""	2	1	391122	""
"689742"	"689742"	"1-Cyclohexyl-3,7-dihydropurine-2,6-dione"	"O=C1Nc2nc[nH]c2C(=O)N1C3CCCCC3"	0	""	""	1	1	391124	""
"689823"	"689823"	"Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.46.25]dodeca-2,8-diene-11,12-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C2(OC(=CC2=O)c3ccc(Cl)cc3)C14OC(=CC4=O)c5ccc(Cl)cc5"	0	""	""	1	1	391126	""
"689824"	"689824"	"(Z)-1-(4-Ethoxyphenyl)-2-[3-[(Z)-2-(4-ethoxyphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol"	"CCOc1ccc(cc1)C(=O)\C=C\2/C(/Nc3c(N2)cccc3)=C\C(=O)c4ccc(OCC)cc4"	0	""	""	1	1	135432523	""
"689846"	"689846"	"BRD-K93193246-001-01-8"	"C\C(=N/NC(=S)N1CC2CCC(CC2)C1)\c3ccncn3"	0	""	""	2	2	5834397	""
"689857"	"689857"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 1..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	2	2	391131	""
"689858"	"689858"	"Acetophenone, 4'-[[2,5-dihydroxyphenyl)methyl]amino]-"	"CC(=O)c1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	391132	""
"689864"	"689864"	"1-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=N)N)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	391138	""
"689865"	"689865"	"4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4)c5ccc(cc5nc12)[N+](=O)[O-]"	0	""	""	1	1	391139	""
"689866"	"689866"	"N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide"	"COc1cccc2c(Nc3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	2	2	391140	""
"689867"	"689867"	"1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine"	"COc1cccc2c(NNc3ccccc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	3600666	""
"689868"	"689868"	"1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine"	"COc1cccc2c(NNc3ccc(Cl)cc3)c4ccc(cc4nc12)[N+](=O)[O-]"	0	""	""	1	1	3743024	""
"689869"	"689869"	"1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine"	"COc1ccc2nc3cc(ccc3c(Nc4ccc(cc4)S(=O)(=O)NC(=N)N)c2c1)[N+](=O)[O-]"	0	""	""	1	1	391143	""
"689872"	"689872"	"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-"	"COc1ccc2nc3cc(ccc3c(NNc4ccccc4)c2c1)[N+](=O)[O-]"	0	""	""	2	2	3734221	""
"689873"	"689873"	"9-Acridine, 9-[(4-chlorophenyl)hydrazino]-2-methoxy- 6-n..."	"COc1ccc2nc3cc(ccc3c(NNc4ccc(Cl)cc4)c2c1)[N+](=O)[O-]"	0	""	""	3	3	4267516	""
"689874"	"689874"	"9-Acridine, 9-[(4-nitrophenyl)hydrazino]-2-methoxy- 6-ni..."	"COc1ccc2nc3cc(ccc3c(NNc4ccc(cc4)[N+](=O)[O-])c2c1)[N+](=O)[O-]"	0	""	""	3	3	5142005	""
"689954"	"689954"	"2-(4-Methylbenzylidene)cycloheptanone"	"Cc1ccc(\C=C\2/CCCCCC2=O)cc1"	0	""	""	1	1	5469545	""
"689955"	"689955"	"(2E)-2-(m-Tolylmethylene)cycloheptanone"	"Cc1cccc(\C=C\2/CCCCCC2=O)c1"	0	""	""	1	1	5469546	""
"689957"	"689957"	"2-(3-Chlorobenzylidene)cycloheptane-1-one"	"Clc1cccc(\C=C\2/CCCCCC2=O)c1"	0	""	""	1	1	5469548	""
"689963"	"689963"	"[4-[(E)-3-Phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"O=C(Oc1ccc(cc1)C(=O)\C=C\c2ccccc2)\C=C\c3ccccc3"	0	""	""	2	1	5934069	""
"689964"	"689964"	"[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"Clc1ccc(\C=C\C(=O)c2ccc(OC(=O)\C=C\c3ccccc3)cc2)cc1"	0	""	""	1	1	6290176	""
"689965"	"689965"	"[4-[(E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate"	"COc1ccc(\C=C\C(=O)c2ccc(OC(=O)\C=C\c3ccccc3)cc2)cc1"	0	""	""	2	2	5908528	""
"690016"	"690016"	"6-Nitro-2,3-bis(2-pyridyl)quinoxaline"	"[O-][N+](=O)c1ccc2nc(c3ccccn3)c(nc2c1)c4ccccn4"	0	""	""	1	1	391175	""
"690021"	"690021"	"1,4-Butanediamine, N-[(2-naphthalenyl)methyl]- N'-[[3-[(..."	"C(CCNCc1ccc2ccccc2c1)CNCCCNCc3ccc4ccccc4c3"	0	NA	NA	2	2	NA	""
"690023"	"690023"	"Carbamic acid, [1,4-butanediylbis[N-[3-(phenylmethyl)~am..."	"O=C(OCc1ccccc1)N(CCCCN(CCCNCc2ccccc2)C(=O)OCc3ccccc3)CCCNCc4ccccc4"	0	""	""	2	2	391189	"203578501"
"690024"	"690024"	"1,4-Butanediamine, N,N'-bis[3-[(phenylmethyl)amino]propy..."	"C(CCNCCCNCc1ccccc1)CNCCCNCc2ccccc2"	0	NA	NA	2	2	NA	"203578545"
"690027"	"690027"	"Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate"	"CCOC(=O)C1=Nc2cc(N3CCOCC3)c(F)cc2NC1=O"	0	""	""	1	1	391194	""
"690033"	"690033"	"2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate"	"COC1Cc2c(C)c(OC(=O)C)c3cccnc3c2O1"	0	""	""	1	1	391200	""
"690035"	"690035"	"deoxyartemisitene"	"C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4"	0	""	""	1	1	6712468	""
"690036"	"690036"	"(1R,4S,9R,10R,13S)-5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one"	"C[C@]12CC(=O)CC(CO)(CO)[C@H]1CC[C@]34C[C@H](CC[C@@H]23)C(=C)C4"	0	""	""	1	1	391203	""
"690039"	"690039"	"11-Pyridin-4-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6ccncc6"	0	""	""	1	1	391206	""
"690040"	"690040"	"11-Thiophen-2-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one"	"O=C1c2ccccc2c3nc(cc4c5ccccc5nc1c34)c6cccs6"	0	""	""	1	1	391207	""
"690041"	"690041"	"phenylsulfanyl[?]one"	"O=C1C=C(Sc2ccccc2)c3nccc4c5ccccc5nc1c34"	0	""	""	1	1	391208	""
"690042"	"690042"	"6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-"	"COC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	391209	""
"690043"	"690043"	"ethylsulfanyl[?]one"	"CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	391210	""
"690073"	"690073"	"Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-..."	"CCCCCCC(C)c1ccc2N3C(=O)c4cnccc4N=C3C(=O)c2c1"	0	""	""	3	2	391213	""
"690111"	"690111"	"2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCCCC2)c3ccccc3"	0	""	""	1	1	391214	""
"690113"	"690113"	"2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide"	"Clc1ccc(C(=O)N(C(=O)N2CCCCC2)c3ccccc3)c(Cl)c1"	0	""	""	1	1	391216	""
"690115"	"690115"	"F2843-0140"	"O=C(N(C(=O)c1cccs1)c2ccccc2)N3CCCCC3"	0	""	""	1	1	391218	""
"690116"	"690116"	"NCIMech_000783"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCC(CC2)c3ccccc3)c4ccccc4"	0	""	""	2	2	391219	""
"690117"	"690117"	"LS-26201"	"Clc1ccc(cc1)C(=O)N(C(=O)N2CCC(CC2)c3ccccc3)c4ccccc4"	0	""	""	1	1	391220	""
"690118"	"690118"	"LS-70137"	"O=C(N(C(=O)c1occc1)c2ccccc2)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	391221	""
"690119"	"690119"	"LS-152969"	"O=C(N(C(=O)c1cccs1)c2ccccc2)N3CCC(CC3)c4ccccc4"	0	""	""	1	1	391222	""
"690120"	"690120"	"1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione"	"O=C(N1CCCN(C(=O)c2occc2)C1=S)c3occc3"	0	""	""	1	1	391223	""
"690124"	"690124"	"O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate"	"O=C(N(C(=S)OCc1ccccn1)c2ccccc2)c3occc3"	0	""	""	1	1	391227	""
"690130"	"690130"	""	"CC1(C)C2CC1C(=CC2=O)\C=N/OCC(=O)O"	0	NA	NA	2	1	NA	""
"690132"	"690132"	"STK030609"	"CCOC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Br)cc3"	0	""	""	1	1	391235	""
"690133"	"690133"	"ARONIS022268"	"CCOC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(OC)cc3"	0	""	""	1	1	391236	""
"690136"	"690136"	"STK385341"	"CCOC(=O)c1c2CCCc2sc1NC(=O)c3cccs3"	0	""	""	1	1	391239	""
"690142"	"690142"	"Ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate"	"CCOC(=O)c1c2CCN(C)Cc2sc1NC(=S)Nc3ccc(C)cc3"	0	""	""	1	1	3005311	""
"690148"	"690148"	"2-amino-9h-thiochromeno[3,2-d]thiazol-9-one"	"Nc1nc2C(=O)c3ccccc3Sc2s1"	0	""	""	1	1	391251	""
"690238"	"690238"	"3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol"	"CC(C)C1=Nc2cc(ccc2NC1=O)C(F)(F)F"	0	""	""	1	1	391279	""
"690240"	"690240"	""	"CC(C)(C)\C(=C/C1=Nc2cc(ccc2NC1=O)C(F)(F)F)\O"	0	NA	NA	1	1	NA	""
"690241"	"690241"	""	"C1CNC(=NC1)N\N=C\c2ccc(cc2)c3cn4cc(\C=N\NC5=NCCCN5)ccc4n3"	0	NA	NA	2	1	NA	""
"690242"	"690242"	""	"C1CN=C(N\N=C\C=C\c2ccc(cc2)c3cn4cc(\C=C\C=N\NC5=NCCN5)ccc4n3)N1"	0	NA	NA	2	1	NA	""
"690243"	"690243"	""	"C1CNC(=NC1)N\N=C\C=C\c2ccc(cc2)c3cn4cc(\C=C\C=N\NC5=NCCCN5)ccc4n3"	0	NA	NA	1	1	NA	""
"690244"	"690244"	""	"N=C(N1CCCC1)c2ccc(cc2)c3cn4cc(ccc4n3)C(=N)N5CCCC5"	0	NA	NA	1	1	NA	""
"690248"	"690248"	""	"[O-][N+](=O)c1ccc(\C=N/NC(=O)c2ccncc2)s1"	0	NA	NA	2	2	NA	""
"690266"	"690266"	"ANTINEOPLASTIC-690266"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45)n(C)c1"	0	""	""	2	2	5469577	""
"690268"	"690268"	"ANTINEOPLASTIC-690268"	"CCCC(=O)Nc1cc(C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45)n(COC)c1"	0	""	""	2	2	391305	""
"690269"	"690269"	"ANTINEOPLASTIC-690269"	"CCCC(=O)Nc1cc(C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c5[nH]cc(C)c45)n(COC)c1"	0	""	""	2	2	391306	""
"690270"	"690270"	"ANTINEOPLASTIC-690270"	"CCCC(=O)Nc1cn(COC)c(n1)C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c5[nH]cc(C)c45"	0	""	""	2	2	391307	""
"690271"	"690271"	"ANTINEOPLASTIC-690271"	"CCCC(=O)Nc1cn(COC)c(n1)C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c5[nH]cc(C)c45"	0	""	""	2	2	391308	""
"690273"	"690273"	"1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide"	"COc1ccc2cc(NC(=O)N\N=C/c3ccc(cc3)[N+](=O)[O-])ccc2c1"	0	""	""	1	1	5901199	""
"690274"	"690274"	"2-(2''-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone"	"Fc1ccccc1C2=CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	4	2	391311	""
"690276"	"690276"	"Z666586360"	"Fc1cccc(c1)C2=Nc3ccccc3C(=O)N2"	0	""	""	2	1	135489883	""
"690277"	"690277"	"2-(2-naphthyl)-1h-quinazolin-4-one"	"O=C1NC(=Nc2ccccc12)c3ccc4ccccc4c3"	0	""	""	1	1	135408138	""
"690290"	"690290"	"15-oxozoapatlin"	"C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]45C[C@@H](CC[C@]34C)C(=C)C5=O"	0	""	""	2	2	391317	""
"690387"	"690387"	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)[N+](C)(C)Cc5ccccc5[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"690388"	"690388"	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(cc34)[N+](C)(C)Cc5ccc(cc5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"690391"	"690391"	"(S)-10,11-Methelenedioxycamptothecin lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5cc6OCOc6cc5nc34)C2=O"	0	NA	NA	4	3	NA	""
"690394"	"690394"	"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide"	"Brc1ccc(cc1)N2C(=O)c3cccnc3S2(=O)=O"	0	""	""	1	1	391364	""
"690395"	"690395"	"2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one"	"O=C1N(Cc2ccccc2)S(=O)c3ncccc13"	0	""	""	1	1	5466428	""
"690396"	"690396"	"Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate"	"COC(=O)C1=C(C)NC2=C(C1c3cn(nc3c4ccccc4)c5ccccc5)C(=O)c6ccccc26"	0	""	""	2	2	391365	""
"690397"	"690397"	"Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate"	"CCOC(=O)c1c(C)nc2c3ccccc3C(=O)c2c1c4cn(nc4c5ccccc5)c6ccccc6"	0	""	""	1	1	391366	""
"690404"	"690404"	"N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide"	"CN1\C(=N/S(=O)(=O)c2ccccc2)\N(c3ccccc13)S(=O)(=O)c4ccccc4"	0	""	""	1	1	9554122	""
"690430"	"690430"	"N-[(7S)-1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)C"	0	""	""	1	1	391373	""
"690432"	"690432"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyet..."	"CC(O)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	391375	""
"690433"	"690433"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydr..."	"CC(O)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(C)O"	0	""	""	2	2	391376	""
"690434"	"690434"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-acetoxyet..."	"CC(OC(=O)C)c1cc2C(=O)c3ccsc3C(=O)c2s1"	0	""	""	2	2	391377	""
"690435"	"690435"	"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-acet..."	"CC(OC(=O)C)c1cc2C(=O)c3c(csc3C(=O)c2s1)C(C)OC(=O)C"	0	""	""	2	2	391378	""
"690436"	"690436"	"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide"	"CCCCCCNC(=O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)NCCCCCC"	0	""	""	1	1	391379	""
"690440"	"690440"	"(1R,8R,9R)-8-[(1R,8R,9R)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene"	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2[C@H]4[C@H]5C[C@@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	""	""	1	1	6712470	""
"690441"	"690441"	"(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-t"	"CC1(C)[C@H]2C[C@@H]1c3cnc(cc3[C@@H]2Cc4cccc(C[C@@H]5[C@@H]6C[C@H](c7cnc(cc57)c8ccccn8)C6(C)C)c4)c9ccccn9"	0	""	""	3	2	6712471	""
"690556"	"690556"	"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide"	"Clc1ccc2C(=O)c3cccc(CNc4ccc(cc4)S(=O)(=O)Nc5nccs5)c3Oc2c1"	0	""	""	1	1	391383	""
"690558"	"690558"	"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide"	"NS(=O)(=O)c1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	2	2	391385	""
"690559"	"690559"	"N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide"	"CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	2	2	391386	""
"690562"	"690562"	"3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one"	"COc1ccc(NCc2cccc3C(=O)c4ccc(Cl)cc4Oc23)cc1"	0	""	""	1	1	391389	""
"690563"	"690563"	"3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one"	"Clc1ccc2C(=O)c3cccc(CSc4ccccc4)c3Oc2c1"	0	""	""	2	1	391390	""
"690565"	"690565"	"2,4-Dichloro-1-(propylamino)acridin-9(10H)-one"	"CCCNc1c(Cl)cc(Cl)c2Nc3ccccc3C(=O)c12"	0	""	""	1	1	391392	""
"690568"	"690568"	"2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one"	"CN1CCN(CC1)c2c(Cl)cc(Cl)c3Nc4ccccc4C(=O)c23"	0	""	""	2	2	391395	""
"690569"	"690569"	"2-Aza-3-deazaadenine"	"Nc1nncc2[nH]cnc12"	0	""	""	2	1	5469585	""
"690575"	"690575"	"1H-Triazolo[4,5-d]pyridazin-4-amine"	"Nc1nncc2[nH]nnc12"	0	""	""	1	1	391402	""
"690577"	"690577"	"N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide"	"CN(C)\C=N\c1nncc2[nH]nnc12"	0	""	""	1	1	391404	""
"690578"	"690578"	"4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine"	"NNc1nncc2[nH]nnc12"	0	""	""	1	1	391405	""
"690582"	"690582"	"5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine"	"CSc1nn(C)cc2ncnc12"	0	""	""	1	1	391409	""
"690584"	"690584"	"5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine"	"[O-][N+](=O)c1ccc(CSc2nn(Cc3ccc(cc3)[N+](=O)[O-])cc4ncnc24)cc1"	0	""	""	1	1	391411	""
"690586"	"690586"	"5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione"	"CN1N=Cc2[nH]cnc2C1=S"	0	""	""	1	1	135441811	""
"690587"	"690587"	"2,5-Dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione"	"CN1N=Cc2[nH]c(C)nc2C1=S"	0	""	""	1	1	135460189	""
"690589"	"690589"	"2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol"	"Cc1nc2C(=O)NN=Cc2[nH]1"	0	""	""	1	1	135430103	""
"690617"	"690617"	"3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine"	"Brc1cc(\C=C\2/SC(=S)NC2=O)ccc1N(CCC#N)CCC#N"	0	""	""	1	1	5469596	""
"690619"	"690619"	"4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine"	"OC(=O)CCN(CCC(=O)O)c1ccc(\C=C\2/SC(=S)NC2=O)cc1"	0	""	""	1	1	5469598	""
"690622"	"690622"	"3-(4-Nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1ccc(\C=N\N2C(=O)NN=C2c3ccc(cc3)[N+](=O)[O-])cc1"	0	""	""	1	1	9556307	""
"690633"	"690633"	"N,N'-Bis(1-nitroacridin-9-yl)butane-1,4-diamine"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	2	2	391438	""
"690634"	"690634"	"NCIMech_000699"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	2	2	391439	""
"690635"	"690635"	"Neuro_000454"	"[O-][N+](=O)c1cccc2nc3ccccc3c(NCCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])c12"	0	""	""	3	3	391440	""
"690646"	"690646"	"STL426492"	"S=C(N1CCOCC1)c2c[nH]c3ccccc23"	0	""	""	1	1	391442	""
"690648"	"690648"	"1H-Indol-3-yl-(4-phenylpiperazin-1-yl)methanethione"	"S=C(N1CCN(CC1)c2ccccc2)c3c[nH]c4ccccc34"	0	""	""	1	1	391444	""
"690650"	"690650"	"N-Butyl-alpha-phenylmorpholine-4-methanimine"	"CCCC\N=C(/N1CCOCC1)\c2ccccc2"	0	""	""	1	1	391446	""
"690652"	"690652"	"2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide"	"O=C(CN1C(=O)Oc2ccccc12)N(c3ccccc3)c4ccccc4"	0	""	""	1	1	391448	""
"690654"	"690654"	"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-"	"O=C(CN1CCOCC1)c2ccc3N(CCN4CCCCC4)C(=O)Oc3c2"	0	""	""	1	1	391450	""
"690658"	"690658"	"JPB 8"	"O=C(Cc1ccccc1)c2ccc3NC(=O)Oc3c2"	0	""	""	1	1	391454	""
"690660"	"690660"	"6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one"	"CN(C)CCN1C(=O)Oc2cc(ccc12)C(=O)C"	0	""	""	1	1	391456	""
"690662"	"690662"	"6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one"	"O=C1Nc2ccc(CC(=S)N3CCN(CC3)c4ccccc4)cc2O1"	0	""	""	2	1	391458	""
"690664"	"690664"	"6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one"	"CC(=O)c1ccc2N(CCN3CCCCC3)C(=O)Oc2c1"	0	""	""	1	1	391459	""
"690666"	"690666"	"6-(Piperidin-1-ylacetyl)-1,3-benzoxazol-2(3h)-one"	"O=C(CN1CCCCC1)c2ccc3NC(=O)Oc3c2"	0	""	""	1	1	391461	""
"690668"	"690668"	"6-[2-(4-Benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one"	"O=C(CN1CCN(Cc2ccccc2)CC1)c3ccc4NC(=O)Oc4c3"	0	""	""	2	1	391463	""
"690670"	"690670"	"3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one"	"CN1C(=O)Sc2cc(ccc12)C(=S)N3CCOCC3"	0	""	""	2	1	391465	""
"690672"	"690672"	"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one"	"CN1C(=O)Sc2cc(ccc12)C(=S)N3CCCCC3"	0	""	""	1	1	391467	""
"690676"	"690676"	"6-(2-Piperidin-1-yl-2-thioxoethyl)-1,3-benzothiazol-2(3h)-one"	"O=C1Nc2ccc(CC(=S)N3CCCCC3)cc2S1"	0	""	""	1	1	391471	""
"690678"	"690678"	"6-[2-(4-Phenylpiperazin-1-yl)-2-thioxoethyl]-1,3-benzothiazol-2(3h)-one"	"O=C1Nc2ccc(CC(=S)N3CCN(CC3)c4ccccc4)cc2S1"	0	""	""	1	1	391473	""
"690683"	"690683"	"5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)C2SCCCS2"	0	""	""	1	1	391478	""
"690684"	"690684"	"5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile"	"CCCCCCCCCCCCCCCCCc1oc(N)c(n1)C#N"	0	""	""	1	1	391479	""
"690685"	"690685"	"5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile"	"Nc1oc(nc1C#N)C(=O)c2ccccc2"	0	""	""	1	1	391480	""
"690690"	"690690"	"Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate"	"CCOC(=O)\C=C\c1oc(N)c(n1)C#N"	0	""	""	1	1	5469600	""
"690734"	"690734"	""	"COc1cc(\C=C\2/CCC(C)\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"690736"	"690736"	""	"COc1cc(\C=C\2/CCC(C)C3=C2N=C4S\C(=C/c5ccc(Cl)cc5)\C(=O)N4C3c6cc(OC)c(OC)c(OC)c6)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"690737"	"690737"	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\C(=O)/C/1=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"690743"	"690743"	""	"CC1CC\C(=C/c2ccc(F)cc2)\C3=C1C(N4C(=O)CSC4=N3)c5ccc(F)cc5"	0	NA	NA	1	1	NA	""
"690747"	"690747"	""	"COc1ccc(\C=C\2/CCC(C)C3=C2NC(=S)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	2	2	NA	""
"690749"	"690749"	""	"CC1CC\C(=C/c2ccc(cc2)N(C)C)\C(=O)/C/1=C/c3ccc(cc3)N(C)C"	0	NA	NA	1	1	NA	""
"690751"	"690751"	"1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	"COc1cc(\C=C\2/CCC(C)C3C(N(N=C23)C(=O)C)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	2	2	5778618	""
"690753"	"690753"	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\c3nc(N)c(C#N)c(c4ccc(Cl)cc4)c13"	0	NA	NA	1	1	NA	""
"690754"	"690754"	"(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile"	"COc1ccc(\C=C\2/CCC(C)c3c2nc(N)c(C#N)c3c4ccc(OC)c(OC)c4)cc1OC"	0	""	""	1	1	5934964	""
"690755"	"690755"	""	"COc1cc(\C=C\2/CCC(C)c3c2nc(N)c(C#N)c3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"690756"	"690756"	""	"CC1CC\C(=C/c2ccc(Cl)cc2)\C3OC(=C(C#N)C(=C13)c4ccc(Cl)cc4)N"	0	NA	NA	1	1	NA	""
"690757"	"690757"	""	"COc1cc(\C=C\2/CCC(C)C3=C(C(=C(N)OC23)C#N)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	4	1	NA	""
"690758"	"690758"	"3-Amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile"	"COc1cc(cc(OC)c1OC)C2OC(=C(C#N)C3=C2C(C)CCC3)N"	0	""	""	1	1	391510	""
"690760"	"690760"	"3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile"	"COc1ccc(cc1OC)C2NC(=C(C#N)C3=C2C(C)CCC3)N"	0	""	""	1	1	391512	""
"690764"	"690764"	"3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile"	"CC1CCCc2c(nc(N)c(C#N)c12)c3ccc(Cl)cc3"	0	""	""	1	1	391516	""
"690765"	"690765"	""	"O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)O"	0	NA	NA	1	1	NA	""
"690767"	"690767"	""	"COC(=O)[C@@H]1C[C@@H](CN1S(=O)(=O)c2ccc(C)cc2)[Se]c3ccccc3"	0	NA	NA	1	1	NA	""
"690769"	"690769"	""	"COC(=O)[C@@H]1C2OC(C)(C)OC2CN1C(=O)OCc3ccccc3"	0	NA	NA	1	1	NA	""
"690771"	"690771"	"Methyl 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate"	"COC(=O)C1C2OC(C)(C)OC2CN1S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	391523	""
"690777"	"690777"	"(3E,10R,13S,17S)-3-[2-(Diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol"	"CCN(CC)CCO\N=C\1/CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(C)O)C3CCC2=C1"	0	""	""	1	1	9572021	""
"690778"	"690778"	"(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol"	"C[C@]1(O)CCC2C3CCC4=C\C(=N\OCCN5CCCC5)\CC[C@]4(C)C3CC[C@]12C"	0	""	""	1	1	9572022	""
"690782"	"690782"	"4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2CCc3c(c2c1)n(CCN4CCOCC4)c5ccc(OC)cc35"	0	""	""	1	1	391533	""
"690784"	"690784"	"4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine"	"COc1ccc2c(CCc3c2n(CCN4CCOCC4)c5ccc(OC)cc35)c1"	0	""	""	1	1	391535	""
"690945"	"690945"	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C(=O)NCC(=O)O)cc1"	0	NA	NA	1	1	NA	""
"690947"	"690947"	"N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide"	"CC1NC(OC1=O)\C(=C\c2ccccc2O)\NC(=O)c3ccccc3"	0	""	""	1	1	6477565	""
"690964"	"690964"	"(2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea"	"NC(=S)NC1=NC(=S)Nc2[nH]ccc12"	0	""	""	1	1	135447063	""
"690965"	"690965"	"5-Benzyl-6-methyl-pyrrolo[2,3-d]pyrimidine-3,4-diamine"	"Cc1[nH]c2N=CN(N)C(=N)c2c1Cc3ccccc3"	0	""	""	1	1	135468833	""
"690970"	"690970"	"(1R,2S,6E,10S,11R,13S,17R)-11-Hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one"	"C[C@H]1CCC\C(=C\CC[C@]2(C)O[C@@H]3[C@@H](C[C@H]2O)C(=C)C(=O)O[C@H]13)\C"	0	""	""	1	1	5469628	""
"690971"	"690971"	"(1S,2R,5E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]3C(CSc4ccccc4)C(=O)O[C@H]3[C@H]1O2)\C"	0	""	""	1	1	5469629	""
"690972"	"690972"	"(1S,2R,3R,4S,8E,12R,13S)-2,3,12-Trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one"	"C[C@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]([C@@H](O)[C@@H]1O)C(=C)C(=O)O2)\C"	0	""	""	1	1	5469630	""
"690974"	"690974"	"Methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate"	"COC(=O)C1(CC1)[C@@H]2C[C@@H](O)[C@]3(C)CC\C=C(/C)\CCC[C@H](C)[C@H](O)[C@@H]2O3"	0	""	""	1	1	5469632	""
"690975"	"690975"	""	"C[C@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@H]([C@@H](O2)[C@H]1O)C(=C)C(=O)O)\C"	0	NA	NA	2	1	NA	""
"690978"	"690978"	"2,3-Dihydro-1,2-syn-2-[2',3'-dihydroxypropylmercapto] br..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)SCC(O)CO"	0	""	""	1	1	24202568	""
"690980"	"690980"	"2,3-Dihydro-1,2-syn-2-[4'-methoxyphenylsulfenyl] Brefeld..."	"COc1ccc(cc1)S(=O)[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O"	0	""	""	2	2	10550891	""
"690983"	"690983"	"Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1lambda5-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate"	"COC(=O)C1=C(OC)C(=P2(CC(=C2c3ccccc3)c4ccccc4)c5ccccc5)C(=C1C(=O)OC)C(=O)OC"	0	""	""	2	2	391572	""
"691020"	"691020"	""	"C[C@@H]1[C@@H](C)[Si](O[C@H]1N2CCCC2)(C(C)(C)C)C(C)(C)C"	0	NA	NA	1	1	NA	""
"691023"	"691023"	""	"C[C@@H]1[C@@H](C)[Si](OC1c2ccccc2)(C(C)(C)C)C(C)(C)C"	0	NA	NA	2	1	NA	""
"691032"	"691032"	"(2,2-Dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate"	"CC(=O)Oc1cc2CC(C)(C)Oc2c3ncccc13"	0	""	""	1	1	391577	""
"691033"	"691033"	"(-)-Avarol"	"C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)Cc3cc(O)ccc3O"	0	""	""	4	2	391578	""
"691037"	"691037"	"4-Nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	391582	""
"691038"	"691038"	"4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride"	"CSC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O)c(O)c(O)c23)NC(=O)c4ccc(N)cc4"	0	""	""	1	1	391583	""
"691039"	"691039"	"(7s)-7-Hydroxy-1,2,3-trimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5h)-one"	"COc1cc2CC[C@H](O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	4	2	391584	""
"691040"	"691040"	"[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] pyridine-4-carboxylate"	"COc1cc2CC[C@H](OC(=O)c3ccncc3)C4=CC(=O)C(=CC=C4c2c(OC)c1OC)SC"	0	""	""	2	2	391585	""
"691041"	"691041"	"[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate"	"COc1cc2CC[C@H](OC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	""	""	2	2	391586	""
"691075"	"691075"	"2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one"	"NCCSC1=Nc2ccccc2C(=O)N1c3ccccc3"	0	""	""	1	1	391591	""
"691081"	"691081"	"STK849915"	"Cc1cc(C)n(n1)C2=Nc3ccccc3C(=O)N2"	0	""	""	2	2	135472230	""
"691084"	"691084"	"Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate"	"CCOC(=O)\C(=N/Nc1ccc(cc1)N2C(=Nc3ccccc3C2=O)C)\C(=O)C"	0	""	""	1	1	135494007	""
"691085"	"691085"	"Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate"	"CCOC(=O)\C(=N/Nc1ccc(cc1)N2C(=Nc3ccc(Br)cc3C2=O)C)\C(=O)C"	0	""	""	1	1	135494008	""
"691094"	"691094"	"[3,4,5-Triacetyloxy-6-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(NC(=S)CCSC2=Nc3ccccc3C(=O)N2c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	3005330	""
"691097"	"691097"	""	"CC(=O)OCC(OC(=O)C)C(OC(=O)C)\C(=N\NC1=Nc2ccccc2C(=O)N1)\C=N\NC3=Nc4ccccc4C(=O)N3"	0	NA	NA	1	1	NA	""
"691106"	"691106"	"3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2C=CC(c3ccccc3)C(C#N)(C#N)C2(C#N)C#N"	0	""	""	2	2	391620	""
"691113"	"691113"	"1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione"	"COc1ccc(cc1)N2N(C(=O)N(C2=O)c3ccccc3)c4ccc(OC)cc4"	0	""	""	1	1	391627	""
"691127"	"691127"	"NCIChal_000037"	"O=C1N(C2CCCCC2)C(=O)N1C3CCCCC3"	0	""	""	2	2	391641	""
"691193"	"691193"	"5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile"	"Nc1oc(CSCc2ccccc2)nc1C#N"	0	""	""	1	1	391649	""
"691195"	"691195"	"5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile"	"Nc1oc(CC#N)nc1C#N"	0	""	""	2	1	391651	""
"691196"	"691196"	""	"CN(C)CCO\N=C\1/CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCC2=C1"	0	NA	NA	2	2	NA	""
"691197"	"691197"	""	"CN(C)CCO\N=C\1/CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCC2=C1)OC(=O)C"	0	NA	NA	2	1	NA	""
"691198"	"691198"	""	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\OCCN5CCCCC5)\CC[C@]34C)[C@@H]1CC[C@@H]2O"	0	NA	NA	1	1	NA	""
"691199"	"691199"	"3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1cc(OC)cc(c1)N2C(=C(c3ccc(cc3C2=O)[N+](=O)[O-])c4nc5ccccc5s4)N"	0	""	""	1	1	391657	""
"691201"	"691201"	""	"C[C@@H](N1C(=C(c2ccc(cc2C1=O)[N+](=O)[O-])c3nc4ccccc4s3)N)c5ccccc5"	0	NA	NA	2	2	NA	""
"691202"	"691202"	"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one"	"COc1cccc(CCN2C(=C(c3ccccc3)c4ccc(cc4C2=O)[N+](=O)[O-])N)c1"	0	""	""	2	2	391660	""
"691203"	"691203"	"2H-Isoquinoxalin-1-one, 3-amino-4-(3,5-dichlorophenyl)- ..."	"COc1cccc(CCN2C(=C(c3cc(Cl)cc(Cl)c3)c4ccc(cc4C2=O)[N+](=O)[O-])N)c1"	0	""	""	2	2	391661	""
"691205"	"691205"	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one"	"COc1cc(OC)cc(c1)N2C(=C(c3ccc(cc3C2=O)[N+](=O)[O-])c4nc5ccccc5n4C)N"	0	""	""	1	1	391663	""
"691206"	"691206"	"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile"	"COc1cccc(CCN2C(=C(C#N)c3ccc(cc3C2=O)[N+](=O)[O-])N)c1"	0	""	""	3	3	391664	""
"691208"	"691208"	""	"C[C@H](N1C(=C(C#N)c2ccc(cc2C1=O)[N+](=O)[O-])N)c3ccccc3"	0	NA	NA	1	1	NA	""
"691209"	"691209"	"3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid"	"NC1=C(C#N)c2ccc(cc2C(=O)N1c3cccc(c3)C(=O)O)[N+](=O)[O-]"	0	""	""	1	1	391667	""
"691210"	"691210"	"Z56789810"	"[O-][N+](=O)c1ccc2C(=C3Sc4ccccc4N3C(=O)c2c1)C#N"	0	""	""	1	1	391668	""
"691211"	"691211"	"9-Nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2C(=C3Nc4ccc(cc4N3C(=O)c2c1)C(F)(F)F)C#N"	0	""	""	2	2	391669	""
"691213"	"691213"	"Maybridge1_006997"	"O=C1C(=C2Nc3ccccc3N2c4ccccc14)C#N"	0	""	""	1	1	391671	""
"691215"	"691215"	"Z734296158"	"CN1C2=C(C#N)C(=O)c3ccccc3N2c4ccccc14"	0	""	""	2	2	391673	""
"691216"	"691216"	"3-Nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2N3C(=C(C#N)C(=O)c2c1)Nc4ccccc34"	0	""	""	2	1	391674	""
"691218"	"691218"	"5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile"	"Clc1c(C#N)c2nc3ccccc3n2c4ccccc14"	0	""	""	1	1	391676	""
"691219"	"691219"	"Neuro_000456"	"COc1cccc(CCNc2c(C#N)c3nc4ccccc4n3c5ccccc25)c1"	0	""	""	2	2	391677	""
"691220"	"691220"	"5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"Fc1ccc(CCNc2c(C#N)c3nc4ccccc4n3c5ccccc25)cc1"	0	""	""	1	1	391678	""
"691221"	"691221"	"Benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5-c..."	"Clc1c(C#N)c2nc3ccccc3n2c4ncccc14"	0	""	""	2	2	391679	""
"691222"	"691222"	"5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid"	"NC(=N)NCCCC(NC(=O)OCCCCN1C=CC(=NC1=O)N)C(=O)O"	0	""	""	1	1	391680	""
"691224"	"691224"	""	"NC(=N)NCCCC(NC(=O)OCCCCCCN1C=CC(=NC1=O)N)C(=O)O"	0	NA	NA	1	1	NA	""
"691227"	"691227"	"5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid"	"CC1=CN(CCCCCOC(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)NC1=O"	0	""	""	1	1	391685	""
"691240"	"691240"	""	"COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12"	0	NA	NA	2	2	NA	""
"691241"	"691241"	""	"CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3ccccc3nc12"	0	NA	NA	2	1	NA	""
"691242"	"691242"	"[1-(Chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(N(C)C)c5ccccc45"	0	""	""	2	1	391697	""
"691243"	"691243"	"NUCVRSVMWQIEPX-MDZDMXLPSA-N"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3c2cc(c4ccccc34)[N+](=O)[O-])n(C)c1"	0	""	""	3	2	5469644	""
"691244"	"691244"	"[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	2	391699	""
"691246"	"691246"	""	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12"	0	NA	NA	2	2	NA	""
"691247"	"691247"	""	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(s4)[N+](=O)[O-])c3nc12"	0	NA	NA	2	2	NA	""
"691248"	"691248"	"(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloro..."	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3ccc(cc23)[N+](=O)[O-])n(C)c1"	0	""	""	1	1	5896344	""
"691249"	"691249"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sccc4[N+](=O)[O-])c3nc12"	0	""	""	1	1	391705	""
"691250"	"691250"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])n4C)c3nc12"	0	""	""	4	2	391707	""
"691251"	"691251"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sc(nc4[N+](=O)[O-])N5CCOCC5)c3nc12"	0	""	""	1	1	391709	""
"691252"	"691252"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4c(ncn4C)[N+](=O)[O-])c3nc12"	0	""	""	2	2	391711	""
"691253"	"691253"	"7-Oxaspiro[5.9]pentadecane-1,8,13-trione"	"O=C1CCCCC(=O)OC2(CCCCC2=O)CC1"	0	""	""	1	1	391713	""
"691258"	"691258"	"2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole"	"Cn1ccnc1SC(F)(F)c2oc3ccccc3n2"	0	""	""	1	1	391718	""
"691274"	"691274"	""	"CCN1CCC(O)(C(C1)C(=O)c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"691275"	"691275"	""	"CCN(CC)CCC(=O)c1ccc(Sc2ccc(F)cc2)cc1"	0	NA	NA	1	1	NA	""
"691276"	"691276"	""	"CC[N+]1(C)CCC(O)(\C=C\c2ccc(Cl)cc2)C(C1)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	2	2	NA	""
"691277"	"691277"	""	"CC[N+]1(C)CCC(O)(\C=C\c2ccc(OC)cc2)C(C1)C(=O)\C=C\c3ccc(OC)cc3"	0	NA	NA	2	2	NA	""
"691404"	"691404"	"N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide"	"CNC(=O)CCNC(=O)CCC(=O)N(C)C"	0	""	""	1	1	391817	""
"691413"	"691413"	""	"CSC(=N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2)SC"	0	NA	NA	3	2	NA	""
"691414"	"691414"	"Methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate"	"CSC(=S)N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2"	0	""	""	1	1	9572027	""
"691415"	"691415"	""	"CCCNC(=S)N\N=C(/C)\c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2"	0	NA	NA	2	2	NA	""
"691417"	"691417"	"Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate"	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)c(OC)c2)c3c(O1)n(nc3c4ccccc4)c5ccccc5"	0	""	""	1	1	9571629	""
"691419"	"691419"	"1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,..."	"COc1ccc(cc1OC)C2C3=C(Oc4c2c(nn4c5ccccc5)c6ccccc6)N=CN(N)C3=N"	0	""	""	2	1	391832	""
"691421"	"691421"	""	"COc1ccc(cc1OC)C2c3c(Oc4c2c(nn4c5ccccc5)c6ccccc6)ncn7nc(CC#N)nc37"	0	NA	NA	1	1	NA	""
"691422"	"691422"	"Acetonitrile, [11-(3,4-dimethoxyphenyl)-8,10-diphenyl- 8..."	"COc1ccc(cc1OC)C2c3c(Oc4c2c(nn4c5ccccc5)c6ccccc6)ncn7nc(CC#N)nc37"	0	NA	NA	2	2	NA	""
"691424"	"691424"	"Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate"	"CCOC(=O)c1nc2c3C(c4ccc(OC)c(OC)c4)c5c(Oc3ncn2n1)n(nc5c6ccccc6)c7ccccc7"	0	""	""	1	1	391836	""
"691433"	"691433"	"2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)SC[C@H](N)C(=O)O"	0	""	""	2	2	24202569	""
"691519"	"691519"	"Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(cc1)N2CCN(CC2)c3c(C)nc(N)nc3N)C(=O)OCC"	0	""	""	2	2	391856	""
"691520"	"691520"	"5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine"	"Cc1nc(N)nc(N)c1N2CCN(Cc3ccccc3)CC2"	0	""	""	2	2	391857	""
"691523"	"691523"	"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)NNC(=S)Nc3ccc(F)cc3"	0	""	""	1	1	3000818	""
"691524"	"691524"	"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)NNC(=S)Nc3ccc(C)cc3"	0	""	""	1	1	3005876	""
"691527"	"691527"	"2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide"	"CCN1C(=O)c2ccccc2N=C1SCC(=O)N\N=C\3/SCC(=O)N3CC=C"	0	""	""	1	1	9572029	""
"691529"	"691529"	"N-[(Z)-(3-Ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide"	"CCN1C(=O)C(C)S/C/1=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2CC"	0	""	""	1	1	9572031	""
"691531"	"691531"	""	"C(OCc1ccccc1)[C@H]2C3OCC([C@H](OCc4ccccc4)[C@H]3OCc5ccccc5)N2Cc6ccccc6"	0	NA	NA	2	1	NA	""
"691533"	"691533"	"6-MEO-BTA-0"	"COc1ccc2nc(sc2c1)c3ccc(N)cc3"	0	""	""	1	1	391870	""
"691534"	"691534"	"HHKCYVZNMDYRMQ-UHFFFAOYSA-N"	"Cc1ccc2nc(sc2c1)c3ccc(N)c(I)c3"	0	""	""	1	1	391871	""
"691535"	"691535"	"BB 0245173"	"Nc1c(Br)cc(cc1Br)c2nc3ccccc3s2"	0	""	""	1	1	391872	""
"691536"	"691536"	"ARK100995"	"Nc1c(Cl)cc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	391873	""
"691562"	"691562"	"[1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-..."	"COc1ccc(cc1OC)c2nc(N)c(C#N)c3c2CCSc4ccc(C)cc34"	0	""	""	2	2	391881	""
"691564"	"691564"	"(6Z)-6-[(3,4,5-Trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one"	"COc1cc(\C=C/2\CCCc3ccccc3C2=O)cc(OC)c1OC"	0	""	""	2	2	5469698	""
"691567"	"691567"	"(4Z)-4-Benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one"	"Cc1ccc2c(c1)C(=O)\C(=C/c3ccccc3)\CCS2(=O)=O"	0	""	""	2	1	5469701	""
"691568"	"691568"	""	"Cc1ccc2c(c1)C(=O)\C(=C/c3ccc(Cl)cc3)\CCS2(=O)=O"	0	NA	NA	2	2	NA	""
"691576"	"691576"	"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"Cc1ccc2c(c1)c3c(CCS2(=O)=O)c(nc(N)c3C#N)c4ccccc4"	0	""	""	2	2	391895	""
"691577"	"691577"	"2-amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1cccc(c1)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	2	2	391896	""
"691578"	"691578"	"2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide"	"Cc1ccc2c(c1)c3c(CCS2(=O)=O)c(nc(N)c3C#N)c4ccc(Cl)cc4"	0	""	""	2	2	391897	""
"691579"	"691579"	"2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1ccc(cc1OC)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	1	1	391898	""
"691580"	"691580"	"2-amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile"	"COc1cc(cc(OC)c1OC)c2nc(N)c(C#N)c3c2CCS(=O)(=O)c4ccc(C)cc34"	0	""	""	1	1	391899	""
"691583"	"691583"	"5-Methyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione"	"CN1C(=O)N2Cc3cccc4cccc(CN2C1=O)c34"	0	""	""	1	1	391902	""
"691587"	"691587"	"1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione"	"COc1ccc(cc1)N2N(C(=O)N(C)C2=O)c3c(C)c(C)c(C)c(C)c3C"	0	""	""	2	1	391906	""
"691589"	"691589"	"3-Tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione"	"CC(C)(C)N1C(=O)n2c(c3ccccc3)c(c4ccccc4)n2C1=O"	0	""	""	1	1	391908	""
"691599"	"691599"	"1-Tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione"	"COc1ccccc1N2N(C(=O)N(C)C2=O)C(C)(C)C"	0	""	""	1	1	391919	""
"691603"	"691603"	"4-methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione"	"CN1C(=O)N(N2N(C(=O)N(C)C2=O)c3c(C)c(C)c(C)c(C)c3C)N(C1=O)c4c(C)c(C)c(C)c(C)c4C"	0	""	""	1	1	391923	""
"691604"	"691604"	"5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione"	"CC(C)(C)N1C(=O)N2Cc3cccc4cccc(CN2C1=O)c34"	0	""	""	1	1	391924	""
"691608"	"691608"	"Diaziridinone, bis(.alpha.,.alpha.-dimethylphenethyl)-"	"CC(C)(Cc1ccccc1)N2N(C2=O)C(C)(C)Cc3ccccc3"	0	""	""	1	1	391928	""
"691652"	"691652"	"Ayanin"	"COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(O)c3"	0	""	""	1	1	5280682	""
"691655"	"691655"	"Butanamide, N-[5-[3-[7-amino-3-(chloromethyl)-2,3-dihydr..."	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3ccc(N)cc23)n(C)c1"	0	""	""	2	2	5933245	""
"691656"	"691656"	"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc(cc4)S(=O)(=O)C)c3nc12"	0	""	""	2	2	391966	""
"691664"	"691664"	"1-[(Z)-Naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)N\N=C/c2cccc3ccccc23)cc1"	0	""	""	2	1	6078767	""
"691665"	"691665"	"1-[(Z)-Naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea"	"[O-][N+](=O)c1ccc(NC(=O)N\N=C/c2ccc3ccccc3c2)cc1"	0	""	""	2	1	6279232	""
"691698"	"691698"	"4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide"	"CNC(=O)c1ccc(C(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)C)c(O)c1O"	0	""	""	1	1	391976	""
"691700"	"691700"	"(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone"	"O=C(N1CCSC1=S)c2cccc(OCc3ccccc3)c2OCc4ccccc4"	0	""	""	2	1	391978	""
"691767"	"691767"	"heteromine A"	"COc1nc(nc2c1n(C)c[n+]2C)N(C)C"	0	""	""	1	1	391982	""
"691778"	"691778"	"N,8-Dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide"	"CN(C(=O)c1cc2c3c4ccccc4N(C)C(=O)c3sc2s1)c5ccccc5"	0	""	""	1	1	391989	""
"691780"	"691780"	"Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate"	"COC(=O)C1=CC(=O)OC1(OO)c2ccccc2"	0	""	""	1	1	391991	""
"691782"	"691782"	"Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C(Cc2ccccc2)(OO)OC1=O"	0	""	""	1	1	391993	""
"691802"	"691802"	""	"NCc1ccc(s1)c2ccc(CN)s2"	0	NA	NA	1	1	NA	""
"691807"	"691807"	"(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol"	"CC1=C(C(O)C2C(=CCS2(=O)=O)C)C(C)(C)CCC1"	0	""	""	1	1	392008	""
"691814"	"691814"	"2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	"CC1=CN(C2CC(O)C(Cn3cc(CN4N=CC(=O)NC4=O)nn3)O2)C(=O)NC1=O"	0	""	""	1	1	392015	""
"691816"	"691816"	"6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione"	"CC1=CN(C2CC(O)C(Cn3cc(CN4N=C(Br)C(=O)NC4=O)nn3)O2)C(=O)NC1=O"	0	""	""	1	1	392017	""
"691817"	"691817"	"1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(Cl)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	392018	""
"691818"	"691818"	"1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(I)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	392019	""
"691819"	"691819"	"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(F)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	392020	""
"691820"	"691820"	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OCC2OC(CC2n3cc(CN4C=C(Br)C(=O)NC4=O)nn3)N5C=C(C)C(=O)NC5=O)(c6ccccc6)c7ccccc7"	0	""	""	1	1	392021	""
"691821"	"691821"	"1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=CC(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	392022	""
"691822"	"691822"	"1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=C(I)C(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	392023	""
"691824"	"691824"	"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"CC1=CN(C2CC(C(CO)O2)n3cc(CN4C=C(Br)C(=O)NC4=O)nn3)C(=O)NC1=O"	0	""	""	1	1	392025	""
"691826"	"691826"	"4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate"	"CC(=O)OCCCCn1nncc1CN2C=CC(=O)N(Cc3cnnn3CCCCOC(=O)C)C2=O"	0	""	""	1	1	392027	""
"691828"	"691828"	"SC-60645"	"CC1=NNC(=O)C1C2CC(=NNC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	392029	""
"691830"	"691830"	"6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one"	"CC1=NNC(=O)C1C2CC(=NN(C2=O)c3ccccc3)c4c[nH]c5ccccc45"	0	""	""	1	1	392031	""
"691831"	"691831"	"3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide"	"CC1=NNC(=O)C1C2CC(=NN(C(=O)N)C2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	392032	""
"691833"	"691833"	"4-Bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one"	"CC1=NNC(=O)C1C2C(Br)C(=NNC2=O)c3c[nH]c4ccccc34"	0	""	""	1	1	392034	""
"691835"	"691835"	"4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,5-dihydropyrimidine-6-carboxylic acid"	"CC1=NNC(=O)C1C2(CC(=NC(=S)N2)c3c[nH]c4ccccc34)C(=O)O"	0	""	""	1	1	3005333	""
"691840"	"691840"	"4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone"	"O=C1NN=C(CC1NCc2ccccc2)c3c[nH]c4ccccc34"	0	""	""	1	1	392041	""
"691842"	"691842"	""	"COc1ccc2Nc3c4C(=NC(=O)N(CCCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	NA	""
"691843"	"691843"	""	"COc1ccc2nc3c(ccc4N(CCN(C)C)C=Nc(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"691844"	"691844"	""	"COc1ccc2nc3c(ccc4N(CCCN(C)C)C=Nc(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"691845"	"691845"	""	"COc1ccc2nc3c(ccc4N(CCCN(C)C)C(=S)N(CCCN(C)C)c(c2c1)c34)[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"691846"	"691846"	""	"CN(C)CCN1C(=O)N(CCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"691847"	"691847"	""	"CN(C)CCCN1C(=O)N(CCCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"691848"	"691848"	""	"CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3ccccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"691849"	"691849"	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride"	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCNCCO)ccc(C1=O)c24"	0	""	""	2	2	392057	""
"691850"	"691850"	""	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCN5CCNCC5)ccc(C1=O)c24"	0	NA	NA	2	2	NA	""
"691851"	"691851"	""	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCN(C)C)c(C(=O)c2c1)c34"	0	NA	NA	2	2	NA	""
"691852"	"691852"	"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCNCCO)c(C(=O)c2c1)c34"	0	""	""	2	2	392063	""
"691877"	"691877"	"5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 1..."	"Cn1c2ccccc2c3c4C(=O)NC(=O)c4c5c6ccccc6n(C)c5c13"	0	""	""	2	2	392065	""
"691881"	"691881"	"3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione"	"Cn1c2ccccc2c3c4C(=O)NNC(=O)c4c5c6ccccc6n(C)c5c13"	0	""	""	2	2	392069	""
"691884"	"691884"	"1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione"	"Cn1c(cc2ccccc12)c3c(C4=CC(=O)N(C4=O)c5ccccc5)c6ccccc6n3C"	0	""	""	1	1	392072	""
"691894"	"691894"	""	"C[S+](C)CC(=O)c1ccc2Oc3ccccc3Sc2c1"	0	NA	NA	2	1	NA	""
"691895"	"691895"	"9,11-Diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Ic1sc(I)c2C(=O)C3OC(=O)NC3c12"	0	""	""	2	2	392081	""
"691899"	"691899"	""	"CSC(=[N+]1CCOCC1)Cc2ccc3Oc4ccccc4Sc3c2"	0	NA	NA	1	1	NA	""
"691900"	"691900"	""	"NC(=N)SCc1ccc2Oc3ccccc3Sc2c1"	0	NA	NA	2	1	NA	""
"691911"	"691911"	""	"CC(=[N+]1N=C([O-][Ni+2]12[O-]C(=N[N+]2=C(C)C(F)(F)F)c3ccncc3)c4ccncc4)C(F)(F)F"	0	NA	NA	3	1	NA	""
"691980"	"691980"	"(4Z)-2-Hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one"	"NNC1=N\C(=C/c2ccccc2O)\C(=O)N1"	0	""	""	1	1	135494018	""
"691986"	"691986"	"2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile"	"Nc1c(C#N)c(cn1C(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	392114	""
"691995"	"691995"	""	""	0	NA	NA	1	1	NA	""
"691998"	"691998"	"STK951933"	"Oc1ccccc1CNNC(=O)c2ccccc2O"	0	""	""	1	1	392123	""
"692007"	"692007"	"6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide"	"Nc1nc(S)c2c(N)n[nH]c2c1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	135489893	""
"692008"	"692008"	"2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide"	"CSc1c(C#N)c(O)nc(N)c1C(=O)Nc2ccc(Cl)cc2"	0	""	""	2	2	392128	""
"692011"	"692011"	"3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole"	"CSc1n[nH]c2[nH]nc(C)c12"	0	""	""	2	2	392131	""
"692020"	"692020"	"5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile"	"CSC1=C(C(=O)C)C(=O)N(C(=C1C#N)O)c2ccc(Cl)cc2"	0	""	""	1	1	392140	""
"692021"	"692021"	"3-Methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole"	"CSc1c2c(C)n[nH]c2nn1c3ccccc3"	0	""	""	1	1	135450457	""
"692022"	"692022"	"4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one"	"CSC(=C1C(=NN(C1=O)c2ccccc2)SC)SC"	0	""	""	1	1	392142	""
"692034"	"692034"	"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide"	"CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)nn1c3ccccc3"	0	""	""	2	1	392154	""
"692038"	"692038"	"MSSAIFDJGUDNBX-UHFFFAOYSA-N"	"CSC1=C(C#N)C(=O)NC(=C1C#N)S"	0	""	""	1	1	392158	""
"692043"	"692043"	"7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one"	"CC(=O)C1=CN(C(=O)c2c(N)n[nH]c12)c3ccc(Cl)cc3"	0	""	""	1	1	392163	""
"692194"	"692194"	"Succinolide"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@H](OC(=O)C3=C)C1=O)\C"	0	""	""	1	1	5469752	""
"692227"	"692227"	"Cystine, N-2-propynyl-"	"NC(CSSCC(NCC#C)C(=O)O)C(=O)O"	0	""	""	1	1	392174	""
"692228"	"692228"	"2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-"	"CN(C)CC(NC(NCS)C(=O)NCCNc1ccc(NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)c2C(=O)c3c(O)ccc(O)c3C(=O)c12)OCCl"	0	""	""	2	2	438971	""
"692229"	"692229"	"5-hydroxy-dehydroiso-.alpha.-lapachone"	"CC(=C)C1CC2=C(O1)C(=O)c3cccc(O)c3C2=O"	0	""	""	2	2	392175	""
"692303"	"692303"	"2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)S(=O)c3ccc(O)cc3"	0	""	""	2	2	9866928	""
"692306"	"692306"	"2,3-Dihydro-1,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)CCN"	0	""	""	2	2	24202571	""
"692308"	"692308"	"2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one"	"COc1cc(OC)cc(\C=C\2/CCc3cc(OC)c(OC)cc3C2=O)c1"	0	""	""	2	2	5469759	""
"692309"	"692309"	"2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one"	"COc1cc(OC)cc(\C=C\2/Cc3cc(OC)c(OC)cc3C2=O)c1"	0	""	""	2	2	5469760	""
"692313"	"692313"	"2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one"	"COc1cc2C\C(=C/c3cc(C)cc(C)c3)\C(=O)c2cc1OC"	0	""	""	2	2	5469762	""
"692317"	"692317"	"2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-..."	"CCn1c2ccccc2c3cc(NC4=NC(=O)NC(=C4)C)ccc13"	0	""	""	2	1	392190	""
"692328"	"692328"	"9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	"CN1C(=O)N(C)c2nc3N(Cc4ccccc4)C(=O)C(=Cn3c2C1=O)Br"	0	""	""	1	1	392195	""
"692332"	"692332"	"9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione"	"CN1C(=O)N(C)c2nc3N(CC(O)CCl)C(=O)C=Cn3c2C1=O"	0	""	""	1	1	392199	""
"692338"	"692338"	"2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid"	"CN1C(=O)N(C)c2nc(NCCCCl)n(CC(=O)O)c2C1=O"	0	""	""	1	1	392205	""
"692339"	"692339"	""	"Cc1cccc2N[C@](C)(C(=O)c12)[C@]3(C)Nc4cccc(C)c4C3=O"	0	NA	NA	1	1	NA	""
"692340"	"692340"	""	"Cc1cccc2N[C@](C)(C(=O)c12)[C@@]3(C)Nc4cccc(C)c4C3=O"	0	NA	NA	1	1	NA	""
"692343"	"692343"	"Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate"	"COC(=O)C1Cc2c([nH]c3ccccc23)c4[nH]c5ccccc5c4CC(NC(=O)C)C(=O)N6CCCC6C(=O)N1"	0	""	""	1	1	392210	""
"692344"	"692344"	"Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate"	"COC(=O)C1Cc2c([nH]c3ccccc23)c4[nH]c5ccccc5c4CC(NC(=O)C)C(=O)NCC(=O)N1"	0	""	""	1	1	392211	""
"692346"	"692346"	"1-(1H-Indol-1-yl(oxo)acetyl)-1H-indole"	"O=C(C(=O)n1ccc2ccccc12)n3ccc4ccccc34"	0	""	""	1	1	392213	""
"692347"	"692347"	"Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate"	"COC(=O)CC1C2N(C(=O)n3c2c(CC(=O)OC)c4ccccc34)c5ccccc15"	0	""	""	1	1	392214	""
"692348"	"692348"	"Methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate"	"COC(=O)Cc1c([nH]c2ccccc12)C3=Nc4ccccc4C3(O)CC(=O)OC"	0	""	""	1	1	392215	""
"692349"	"692349"	""	"COC(=O)C[C@H]1[C@@H](N(C(=O)C(F)(F)F)c2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	NA	NA	1	1	NA	""
"692350"	"692350"	""	"COC(=O)C[C@H]1[C@@H](N(c2ccccc12)S(=O)(=O)c3ccc(C)cc3)c4[nH]c5ccccc5c4CC(=O)OC"	0	NA	NA	2	2	NA	""
"692351"	"692351"	""	"CN1C(=O)[C@H]([C@H](C1=O)c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	NA	NA	2	1	NA	""
"692352"	"692352"	""	"COc1ccc(cc1)C2OC[C@H]3O[C@@H](OCc4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O2"	0	NA	NA	1	1	NA	""
"692355"	"692355"	""	"CN1C(=O)[C@@H]2[C@H]3[C@H](Nc4ccccc34)c5[nH]c6ccccc6c5[C@@H]2C1=O"	0	NA	NA	1	1	NA	""
"692356"	"692356"	"13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione"	"CN1C(=O)c2c(C1=O)c3c4ccccc4n(C5OC(CO)C(O)C(O)C5O)c3c6[nH]c7ccccc7c26"	0	""	""	2	2	392223	""
"692358"	"692358"	""	"CN1C(=O)[C@@H]2[C@H]3[C@H](N(c4ccccc34)S(=O)(=O)C(F)(F)F)c5[nH]c6ccccc6c5[C@@H]2C1=O"	0	NA	NA	1	1	NA	""
"692359"	"692359"	""	"COC(=O)C[C@H]1[C@@H](Nc2ccccc12)c3[nH]c4ccccc4c3CC(=O)OC"	0	NA	NA	1	1	NA	""
"692362"	"692362"	""	"C1Cc2c([nH]c3ccccc23)[C@H]4Nc5ccccc5[C@@H]14"	0	NA	NA	1	1	NA	""
"692364"	"692364"	"[4,5-Diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate"	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)n2c3ccccc3c4ccc5c6ccccc6[nH]c5c24"	0	""	""	1	1	392232	""
"692365"	"692365"	"12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole"	"Cc1ccc(cc1)S(=O)(=O)N2[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c6ccccc26"	0	""	""	1	1	392233	""
"692367"	"692367"	""	"Brc1ccc2N[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c2c1"	0	NA	NA	1	1	NA	""
"692368"	"692368"	""	"CC(=O)OC1COC(C(OC(=O)C)C1OC(=O)C)N2[C@H]3[C@H](CCc4c3[nH]c5ccccc45)c6ccccc26.CC(=O)OC7COC(C(OC(=O)C)C7OC(=O)C)N8[C@@H]9[C@@H](CCc%10c9[nH]c%11ccccc%10%11)c%12ccccc8%12"	0	NA	NA	1	1	NA	""
"692372"	"692372"	"Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxopropyl)indol-1-yl]ethyl]indol-3-yl]propanoate"	"COC(=O)C(Cc1cn(C(C)n2cc(CC(NC(=O)C)C(=O)OC)c3ccccc23)c4ccccc14)NC(=O)C"	0	""	""	1	1	392239	""
"692377"	"692377"	"3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile"	"Nc1c(C#N)sc2nc3ccccc3n12"	0	""	""	1	1	392241	""
"692379"	"692379"	"Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one"	"O=C1NC=Nc2c1sc3nc4ccccc4n23"	0	""	""	1	1	135489896	""
"692381"	"692381"	"benzyl[?]imine"	"N=C1N(Cc2ccccc2)C=Nc3c1sc4nc5ccccc5n34"	0	""	""	1	1	392245	""
"692391"	"692391"	"1-(3,3-Dimethyl-1-butynyl)-1,2-benziodoxol-3(1H)-one"	"CC(C)(C)C#CI1OC(=O)c2ccccc12"	0	""	""	3	2	392250	""
"692392"	"692392"	"1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one"	"O=C1OI(C#Cc2ccccc2)c3ccccc13"	0	""	""	2	1	392251	""
"692395"	"692395"	"3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4ccc5ccccc5c4C=C3"	0	""	""	2	1	392254	""
"692396"	"692396"	"8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"COc1cccc2C=CC3(Oc4ccccc4C(=O)N3C)Oc12"	0	""	""	1	1	392255	""
"692397"	"692397"	"7'-Hydroxy-3-methylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4cc(O)ccc4C=C3"	0	""	""	1	1	392256	""
"692399"	"692399"	"8'-[(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN1C(=O)c2ccccc2OC13Oc4c(\C=N\c5ccccc5O)cc(C)cc4C=C3"	0	""	""	1	1	392258	""
"692400"	"692400"	"8'-[[4-(Dimethylamino)phenyl]iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one"	"CN(C)c1ccc(cc1)\N=C\c2cc(C)cc3C=CC4(Oc5ccccc5C(=O)N4C)Oc23"	0	""	""	2	2	392259	""
"692405"	"692405"	"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione"	"CC1(C)OC(=S)N(c2ccccc2)C13Oc4ccccc4C=C3"	0	""	""	1	1	392264	""
"692406"	"692406"	"5,5,6'-Trimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione"	"Cc1ccc2OC3(C=Cc2c1)N(C(=S)OC3(C)C)c4ccccc4"	0	""	""	1	1	392265	""
"692407"	"692407"	"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-thione"	"CC1(C)OC(=S)N(c2ccccc2)C13Oc4cc5ccccc5cc4C=C3"	0	""	""	1	1	392266	""
"692411"	"692411"	"2-Chloro-1-[2-[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]-1-piperidyl]ethanone"	"ClCC(=O)N1CCCCC1C2(OCCO2)c3cc4ccccc4[nH]3"	0	""	""	3	2	392271	""
"692423"	"692423"	"AQ-776/42801277"	"O=S(=O)(NC(c1ccccc1)(c2cc3ccccc3[nH]2)c4cc5ccccc5n4S(=O)(=O)c6ccccc6)c7ccccc7"	0	""	""	1	1	392289	""
"692429"	"692429"	"2-[2-(Pyridin-2-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole"	"C(c1ccccn1)C2(OCCO2)c3cc4ccccc4[nH]3"	0	""	""	1	1	392296	""
"692574"	"692574"	"Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-6-(4-methylphenyl)-4H-pyridine-2,3-dicarboxylate"	"COC(=O)C1=C(N(C(=CC1c2ccc(OC)cc2OC)c3ccc(C)cc3)c4ccc(OC)cc4[N+](=O)[O-])C(=O)OC"	0	""	""	3	3	392298	""
"692575"	"692575"	"2-(3-Pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione"	"O=C1OC(=O)C2=C1C(C=C(N2c3ccncc3)c4cccnc4)c5cccs5"	0	""	""	1	1	392299	""
"692576"	"692576"	"3-Pyridinecarboxylic acid, 2-[[(2-chloro-3-pyridinyl)ami..."	"COC(=O)C1=C(N(C(=CC1c2ccc(OC)cc2OC)c3ccc(C)cc3)c4ccc(OC)cc4[N+](=O)[O-])C(=O)Nc5cccnc5Cl"	0	""	""	3	3	392300	""
"692577"	"692577"	"2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione"	"[O-][N+](=O)c1ccccc1C2C=C(N(C3C2C(=O)OC3=O)c4ccncc4)c5occc5"	0	""	""	2	2	392301	""
"692578"	"692578"	"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid"	"OC(=O)C1=C(N(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4)C(=O)O"	0	""	""	2	2	392302	""
"692579"	"692579"	"Dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate"	"COC(=O)C1=C(N(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4)C(=O)OC"	0	""	""	2	2	392303	""
"692580"	"692580"	"2-[(1-Carboxy-2-hydroxyethyl)carbamoyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid"	"OCC(NC(=O)C1C(C(C=C(N1c2ccncc2)c3occc3)c4ccccc4[N+](=O)[O-])C(=O)O)C(=O)O"	0	""	""	3	2	392304	""
"692581"	"692581"	"2-[(Z)-1-Acetyloxy-2-carboxy-2-cyanoethenyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid"	"CC(=O)O\C(=C(\C#N)/C(=O)O)\C1C(C(C=C(N1c2ccncc2)c3occc3)c4ccccc4[N+](=O)[O-])C(=O)O"	0	""	""	3	2	3005339	""
"692582"	"692582"	"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid"	"OC(=O)C1=CN(C(=CC1c2ccccc2[N+](=O)[O-])c3occc3)c4ccncc4"	0	""	""	2	1	392306	""
"692584"	"692584"	"[1-(4'-Chloro-2-hydroxy-5-thiophen-2-ylbiphenyl-3-yl)ethylidene]propanedioic acid"	"CC(=C(C(=O)O)C(=O)O)c1cc(cc(c1O)c2ccc(Cl)cc2)c3cccs3"	0	""	""	2	2	392308	""
"692585"	"692585"	"Ethyl 4-[2-(2-methoxyphenyl)-6-oxo-4-thiophen-2-ylcyclohexa-1,4-dien-1-yl]-2,4-dioxobutanoate"	"CCOC(=O)C(=O)CC(=O)C1=C(CC(=CC1=O)c2cccs2)c3ccccc3OC"	0	""	""	1	1	392309	""
"692587"	"692587"	"ethyl-8-(4-chlorophenyl)-4-methyl-2-oxo-6-(thiophen-2-yl..."	"CCOC(=O)C1=C(C)C2C=C(CC(=C2OC1=O)c3ccc(Cl)cc3)c4cccs4"	0	""	""	1	1	392311	""
"692588"	"692588"	"2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide"	"CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1O)c2ccc(Cl)cc2)c3cccs3"	0	""	""	1	1	392312	""
"692596"	"692596"	"(Z)-Bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium"	"COC(=O)N=[N+]([O-])C(c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	9556321	""
"692597"	"692597"	"(Z)-[Cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium"	"COC(=O)N=[N+]([O-])C(C1CCCCC1)c2ccc(OC)cc2"	0	""	""	2	2	9556322	""
"692603"	"692603"	"Ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate"	"CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC"	0	""	""	1	1	392327	""
"692613"	"692613"	"Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate"	"COC(=O)N1N(C(=O)Nc2ccccc2)C(=O)N(C1=O)c3ccccc3"	0	""	""	1	1	392337	""
"692616"	"692616"	"tert-butyl tert-butyl(prop-2-en-1-yloxy)carbamate"	"CC(C)(C)OC(=O)N(OCC=C)C(C)(C)C"	0	""	""	1	1	392340	""
"692617"	"692617"	"tert-butyl N-but-3-enoxy-N-phenyl-carbamate"	"CC(C)(C)OC(=O)N(OCCC=C)c1ccccc1"	0	""	""	1	1	392341	""
"692632"	"692632"	"2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid"	"OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3Nc12"	0	""	""	2	1	392348	""
"692637"	"692637"	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]acetic acid"	"CN(C)CCNC(=O)c1cccc2c(NCC(=O)O)c3ccccc3nc12"	0	""	""	1	1	392353	""
"692638"	"692638"	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-guanidino-pentanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CCCNC(=N)N)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	392354	""
"692640"	"692640"	"5-Amino-2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-oxo-pentanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CCC(=O)N)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	392356	""
"692641"	"692641"	"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid"	"CN(C)CCNC(=O)c1cccc2c(NC(CS)C(=O)O)c3ccccc3nc12"	0	""	""	1	1	392357	""
"692646"	"692646"	"2-(Acridine-9-carbonylamino)-3-sulfanyl-propanoic acid"	"OC(=O)C(CS)NC(=O)c1c2ccccc2nc3ccccc13"	0	""	""	1	1	392362	""
"692647"	"692647"	"N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide"	"O=C(Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2)c3c4ccccc4nc5ccccc35"	0	""	""	1	1	392363	""
"692651"	"692651"	"N-[4-(Acetylsulfamoyl)phenyl]acridine-9-carboxamide"	"CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	392367	""
"692655"	"692655"	"D-Homo-17a-aza-5-androsteno[17,16-c]pyrazol-3-yl,2'-(4-f..."	"CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)Nc5c(C[C@H]4[C@@H]3CC=C2C1)cnn5c6ccc(F)cc6"	0	NA	NA	3	2	NA	""
"692736"	"692736"	"Neuro_000459"	"Nc1ccc2C(CCl)CN(C(=O)CCCC(=O)N3CC(CCl)c4ccc(N)cc34)c2c1"	0	""	""	2	2	392378	""
"692737"	"692737"	"9-Amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride"	"Cc1cccc2c(N)c3cccc(C(=O)NCCN4CCOCC4)c3nc12"	0	""	""	2	2	392379	""
"692738"	"692738"	""	"CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3cccc(C)c3nc12"	0	NA	NA	3	2	NA	""
"692739"	"692739"	"GPRXWDOJSMVDHQ-UHFFFAOYSA-N"	"CC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	2	4365483	""
"692744"	"692744"	"(4R,7S,10S,13S,15E,17R,19S)-7-[(4-Hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone"	"C[C@H]1C[C@@H](C)\C=C(/C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](CC(=O)O1)c3ccc(O)cc3"	0	""	""	1	1	5469771	""
"692745"	"692745"	"1H-Inden-1-one, 2,3-dihydro-2-[(4-hydroxy-3,5-dimethylph..."	"COc1cc2C\C(=C/c3cc(C)c(O)c(C)c3)\C(=O)c2cc1OC"	0	""	""	2	2	5469772	"225652551"
"692753"	"692753"	"Callipeltin A"	"COC(C1NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@H](O)[C@@H](C)CC(C)C)[C@@H](C)[C@@H](C)C(=O)N)[C@@H](C)OC(=O)[C@H](C)N(C)C1=O)C(C)O)c2ccc(O)cc2"	0	NA	NA	2	1	NA	""
"692754"	"692754"	"4-Hexoxybenzenecarbohydroxamic acid"	"CCCCCCOc1ccc(cc1)C(=O)NO"	0	""	""	3	3	392390	""
"692756"	"692756"	"3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide"	"ONC(=O)c1cccc(OCc2ccc(Br)cc2)c1"	0	""	""	3	2	392392	""
"692758"	"692758"	"4-(Hexyloxy)-N-hydroxy-N-methylbenzamide"	"CCCCCCOc1ccc(cc1)C(=O)N(C)O"	0	""	""	3	3	392394	""
"692759"	"692759"	"4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide"	"CN(O)C(=O)c1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	2	2	392395	""
"692760"	"692760"	"STL432251"	"ONC(=O)c1ccc(OCc2ccccc2)cc1"	0	""	""	1	1	392396	""
"692761"	"692761"	"4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide"	"ONC(=O)c1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	2	1	392397	""
"692763"	"692763"	"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide"	"ONC(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	1	1	392399	""
"692765"	"692765"	"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide"	"CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1"	0	""	""	1	1	392401	""
"693021"	"693021"	""	"Cn1c(nc2ccccc12)[C@H](C#N)C(=O)c3cc(O)ccc3[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"693025"	"693025"	"3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1ccc(cc1)C2=C(N)N(C(=O)c3cc(ccc23)[N+](=O)[O-])c4cc(OC)cc(OC)c4"	0	""	""	2	2	392508	""
"693029"	"693029"	"5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile"	"FCCOc1c(C#N)c2nc3ccccc3n2c4ccccc14"	0	""	""	1	1	392512	""
"693035"	"693035"	"Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate"	"COC(=O)C(=C)c1cc2ccccc2n1S(=O)(=O)c3ccccc3"	0	""	""	3	2	392519	""
"693037"	"693037"	"AQ-776/42801162"	"[O-][N+](=O)c1cccc(c1)c2cn3Cc4ccccc4Cc3n2"	0	""	""	1	1	392521	""
"693038"	"693038"	"Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate"	"COC(=O)c1nn2ccc3ccccc3c2c1C(=O)OC"	0	""	""	1	1	392522	""
"693043"	"693043"	"Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate"	"CCC1CN(C(Cc2c[nH]c3ccccc23)C(=O)C1CC(=O)OC)C(=O)c4ccccc4"	0	""	""	1	1	392527	""
"693049"	"693049"	"2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone"	"Cc1cc(on1)c2ccc([nH]2)C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	392533	""
"693050"	"693050"	"(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one"	"O=C1N(N=C(/C/1=C/2\CCCN2)c3ccc[nH]3)c4ccccc4"	0	""	""	1	1	392534	""
"693086"	"693086"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)/C/1=C/C#N)N2C=CC(=O)NC2=O"	0	NA	NA	3	2	NA	""
"693088"	"693088"	"[2-[1-(6-Benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate"	"CC(OCCN(OC(=O)Oc1ccccc1)C(=O)Oc2ccccc2)N3C(=O)NC(=O)C(=C3Cc4ccccc4)C"	0	""	""	1	1	392545	""
"693089"	"693089"	""	"CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=CC(=O)NC2=O)/C/1=C\C#N"	0	NA	NA	1	1	NA	""
"693090"	"693090"	""	"COC(=O)[C@@H]1O[C@]12C(CO[Si](C)(C)C(C)(C)C)OC(C2O[Si](C)(C)C(C)(C)C)N3C=CC(=O)NC3=O"	0	NA	NA	1	1	NA	""
"693092"	"693092"	""	"CC(C)(C)[Si](C)(C)OCC1OC(C(O[Si](C)(C)C(C)(C)C)[C@@]12O[C@H]2C(=O)N)N3C=CC(=O)NC3=O"	0	NA	NA	1	1	NA	""
"693117"	"693117"	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	""	""	3	2	392570	""
"693118"	"693118"	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCN(C)c1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccccc4C(=O)c1c23"	0	""	""	2	2	392571	""
"693119"	"693119"	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(O)cc4C(=O)c1c23"	0	""	""	2	2	392572	""
"693120"	"693120"	"Neuro_000462"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3C(=O)c4c(NCCNCCO)ccc(C1=O)c24"	0	""	""	2	2	392573	""
"693122"	"693122"	"1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione"	"O=C1CC(=O)N(N1\C(=C\c2ccccc2)\c3ccccc3)c4ccccc4"	0	""	""	1	1	5469828	""
"693126"	"693126"	"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide"	"CC1(C)CC(=O)c2c(C1)nc3ccc4ccccc4c3c2c5ccc(NC(=O)CCCC(=O)Nc6ccc(cc6)c7c8C(=O)CC(C)(C)Cc8nc9ccc%10ccccc%10c79)cc5"	0	""	""	1	1	392579	""
"693129"	"693129"	""	"[O-][N+](=O)\C(=C\c1ccccc1)\C(=C/c2ccccc2)\[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"693130"	"693130"	"(E,E)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene"	"[O-][N+](=O)\C(=C\c1cccc2ccccc12)\C(=C/c3cccc4ccccc34)\[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"693131"	"693131"	""	"[O-][N+](=O)\C(=C\c1cccs1)\C(=C/c2cccs2)\[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"693132"	"693132"	"1,3-Butadiene, 1,4-bis(4-methoxyphenyl)-2,3-dinitro-"	"COc1ccc(\C=C(/C(=C\c2ccc(OC)cc2)/[N+](=O)[O-])\[N+](=O)[O-])cc1"	0	NA	NA	2	2	NA	""
"693133"	"693133"	""	"Cc1cc(C)c(\C=C(/C(=C\c2c(C)cc(C)cc2C)/[N+](=O)[O-])\[N+](=O)[O-])c(C)c1"	0	NA	NA	1	1	NA	""
"693135"	"693135"	""	"[O-][N+](=O)\C(=C\C1CCCCC1)\C(=C/C2CCCCC2)\[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"693136"	"693136"	""	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCCN)OCCCN"	0	NA	NA	1	1	NA	""
"693141"	"693141"	""	"COc1cc(CCCl)c(CC2=NCCc3cc(OC)c(OC)cc23)cc1OC"	0	NA	NA	1	1	NA	""
"693142"	"693142"	""	"COc1ccc2C(=NCCc2c1)Cc3cc(OC)c(OC)cc3CCCl"	0	NA	NA	1	1	NA	""
"693144"	"693144"	"2,3-Dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one"	"COc1cc2CCN3C(=O)c4ccccc4C=C3c2cc1OC"	0	""	""	1	1	392604	""
"693145"	"693145"	"8H-Dibenzo[a,g]quinolizine-8-one, 5,6-dihydro- 2,3,10,11..."	"COc1cc2CCN3C(=O)c4cc(OC)c(OC)cc4C=C3c2cc1OC"	0	""	""	2	2	392605	""
"693146"	"693146"	"2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine"	"COc1ccc2CN3CCc4ccccc4CC3Cc2c1"	0	""	""	1	1	392606	""
"693147"	"693147"	"STK279206"	"COc1ccc(cc1)C(=C2C=CC=C2)c3ccc(OC)cc3"	0	""	""	1	1	392607	""
"693167"	"693167"	"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)O2)C(=O)NC1=O"	0	""	""	2	2	392611	""
"693169"	"693169"	"[3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	392613	""
"693172"	"693172"	"(4-Fluorophenyl)methyl-hexadecyl-dimethyl-ammonium chloride"	"CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1"	0	""	""	2	2	392616	""
"693177"	"693177"	"Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole..."	"CCOC(=O)c1csc(n1)c2cn(C)c3C(=O)C=C(OC)C(=O)c23"	0	""	""	2	2	392618	""
"693178"	"693178"	"2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	"COC1=CC(=O)c2c(C1=O)c(cn2C)c3nc(C)cs3"	0	""	""	2	1	392619	""
"693179"	"693179"	"2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole"	"Cc1csc(n1)c2cn(C)c3C(=O)C=C(N)C(=O)c23"	0	""	""	2	2	392620	""
"693180"	"693180"	"4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole"	"COC1=CC(=O)c2c(C1=O)c(cn2C)c3csc(C)n3"	0	""	""	2	2	392621	""
"693184"	"693184"	"norvir"	"CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4"	0	""	"FDA approved"	2	1	NA	"155213675"
"693185"	"693185"	"2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-Dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methy"	"CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC5OC(C)C(O)C(O)C5O"	0	""	""	2	2	392623	""
"693207"	"693207"	""	"CCOC(=O)\C=C(\OCC)/[C@H]1[C@H](C1C(=O)c2ccc(Cl)cc2)\C(=C/C(=O)OCC)\OCC"	0	NA	NA	2	2	NA	""
"693208"	"693208"	""	"CCOC(=O)\C=C(\OCC)/[C@H]1[C@@H](C1C(=O)c2ccc(Cl)cc2)\C(=C/C(=O)OCC)\OCC"	0	NA	NA	2	2	NA	""
"693210"	"693210"	""	"OC(=O)[C@H](Cc1ccccc1)NCCN2CCC[C@H]2C(=O)O"	0	NA	NA	1	1	NA	""
"693211"	"693211"	""	"S1C2Sc3ccccc3[S+]2c4ccccc14"	0	NA	NA	2	2	NA	""
"693215"	"693215"	"Ethyl 5,5,19-trimethyl-6,10-dioxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene-11-carboxylate"	"CCOC(=O)c1oc2cc3OC(C)(C)C=Cc3c4N(C)c5ccccc5c1c24"	0	""	""	2	2	392635	""
"693216"	"693216"	"bis(2-tert-butylphenyl)[?]trione"	"CC(C)(C)c1ccccc1N2C(=O)c3ccc4N(C(=O)c5ccc(C2=O)c3c45)c6ccccc6C(C)(C)C"	0	""	""	1	1	392636	""
"693218"	"693218"	""	"NCCCNOCCCN"	0	NA	NA	1	1	NA	""
"693224"	"693224"	""	"O=C1C[C@H](Sc2ccccc2)C3(OCCO3)[C@H](C1)Sc4ccccc4"	0	NA	NA	2	2	NA	""
"693225"	"693225"	""	"O=C1C[C@@H](Sc2ccccc2)C3(OCCO3)C4ON5CCCC[C@H]5[C@H]14"	0	NA	NA	2	2	NA	""
"693226"	"693226"	"3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide"	"COc1ccc(CCN(C)C(=O)CC(C#N)(c2ccccc2)c3ccc(OC)c(OC)c3)cc1OC"	0	""	""	2	2	392647	""
"693234"	"693234"	"7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile"	"N#CC1=C(Nc2ccccc2)SC=C(N=C1NCc3ccccc3)c4ccccc4"	0	""	""	1	1	135408097	""
"693236"	"693236"	"Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate"	"COC(=O)C(C)(C)OCc1ccc(cc1)C2NC(=O)N(C(=O)N2c3cccc(Cl)c3)c4cccc(Cl)c4"	0	""	""	1	1	392657	""
"693246"	"693246"	""	"C\C(=N/Nc1ncnc2ccccc12)\c3ccccn3"	0	NA	NA	3	2	NA	""
"693247"	"693247"	""	"C\C(=N/Oc1cc(Cl)ncn1)\c2ccccn2"	0	NA	NA	1	1	NA	""
"693248"	"693248"	"(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone"	"Clc1cc(N\N=C(/c2ccccc2)\c3ccccn3)ncn1"	0	""	""	1	1	9571636	""
"693255"	"693255"	"Tyrphostin AG 1478"	"COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC"	0	"PK:YK"	""	5	4	2051	""
"693321"	"693321"	"N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide"	"C\C(=N\NC(=S)N1CCCCCC1)\C(=N/NC(=S)N2CCCCCC2)\C"	0	""	""	2	1	6413111	""
"693322"	"693322"	"Hydrazinecarbothioamide, 2,2'-(1,2-ethanediylidene)bis[N..."	"CN(C)C(=S)N\N=C/C=N\NC(=S)N(C)C"	0	NA	NA	2	2	NA	""
"693323"	"693323"	""	"S=C(N\N=C/C=N\NC(=S)N1CCCCC1)N2CCCCC2"	0	NA	NA	2	2	NA	""
"693324"	"693324"	""	"S=C(N\N=C/C=N\NC(=S)N1CCCCCC1)N2CCCCCC2"	0	NA	NA	2	2	NA	""
"693325"	"693325"	""	"CN(C)C(=S)N\N=C/C(=N\NC(=S)N(C)C)/C"	0	NA	NA	2	2	NA	""
"693326"	"693326"	""	"C\C(=N\NC(=S)N1CCCCC1)\C=N/NC(=S)N2CCCCC2"	0	NA	NA	2	1	NA	""
"693327"	"693327"	""	"CN(C)C(=S)N\N=C/C(=N\NC(=S)N(C)C)/c1ccccc1"	0	NA	NA	2	2	NA	""
"693328"	"693328"	"N',N''-(1 phenylethane-1,2-diylidene)dipiperidine-1-carb..."	"S=C(N\N=C/C(=N\NC(=S)N1CCCCC1)/c2ccccc2)N3CCCCC3"	0	NA	NA	2	1	NA	""
"693330"	"693330"	""	"CN(C)C(=S)N\N=C(\C)/C(=N\NC(=S)N(C)C)/c1ccccc1"	0	NA	NA	2	1	NA	""
"693331"	"693331"	""	"C\C(=N\NC(=S)N1CCCCC1)\C(=N/NC(=S)N2CCCCC2)\c3ccccc3"	0	NA	NA	2	1	NA	""
"693332"	"693332"	""	"CNC(=S)N\N=C(/C(=N\NC(=S)NC)/c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	NA	""
"693333"	"693333"	""	"CN(C)C(=S)N\N=C(/C(=N\NC(=S)N(C)C)/c1ccccn1)\c2ccccn2"	0	NA	NA	2	2	NA	""
"693334"	"693334"	""	"S=C(N\N=C(/C(=N\NC(=S)N1CCCCC1)/c2ccccn2)\c3ccccn3)N4CCCCC4"	0	NA	NA	1	1	NA	""
"693335"	"693335"	""	"C\C(=N\NC(=S)N1CCN(CC1)C(=S)N\N=C(\C)/c2ccccn2)\c3ccccn3"	0	NA	NA	2	2	NA	""
"693404"	"693404"	"3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile"	"COc1cc(cc(OC)c1OC)C(O)(CC#N)c2cc3OCOc3cc2Br"	0	""	""	1	1	392686	""
"693405"	"693405"	""	"COC12OC3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1C(=O)Oc4ccccc4)C5OC25"	0	NA	NA	1	1	NA	""
"693406"	"693406"	""	"CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)C2C(C3(C)OC12C(O)C3O)S(=O)(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"693407"	"693407"	""	"COC12OC3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c4ccccc4)C5OC25"	0	NA	NA	3	1	NA	""
"693409"	"693409"	"Benzyl N-[1-hydroxy-3-[4-[5-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-methoxyphenoxy]phenyl]propan-2-yl]carbamate"	"COc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1Oc3ccc(CC(CO)NC(=O)OCc4ccccc4)cc3"	0	""	""	1	1	392691	""
"693413"	"693413"	"(2Z)-10-Azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene"	"COc1cc2CC(N=[N+]=[N-])c3cc(OC)c(OC)cc3\C=C/c2cc1OC"	0	""	""	1	1	5469850	""
"693414"	"693414"	"(NE)-N-[(10Z)-6,7,14,15-tetramethoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenylidene]hydroxylamine"	"COc1cc2C\C(=N/O)\c3cc(OC)c(OC)cc3\C=C/c2cc1OC"	0	""	""	2	2	9571640	""
"693416"	"693416"	"4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene"	"COc1cc2CC3N=CC(c2cc1OC)c4cc(OC)c(OC)cc34"	0	""	""	1	1	392698	""
"693421"	"693421"	""	"COC1(CC[C@H]2[C@@H]1C[C@@](O)([C@H]3Oc4ccccc4[C@@H]23)C(=C)[Si](C)(C)C)OC"	0	NA	NA	1	1	NA	""
"693422"	"693422"	"Cineolic acid"	"CC1(C)OC(C)(CCC1C(=O)O)C(=O)O"	0	""	""	1	1	392705	""
"693428"	"693428"	"TMIQ"	"CN1CC(O)c2cc(O)c(O)cc2C1"	0	""	""	1	1	157875	""
"693433"	"693433"	"1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one"	"O=C1N(Cc2ccccc2)C3CSCC3N1Cc4ccccc4"	0	""	""	1	1	392715	""
"693438"	"693438"	""	"O=C(Oc1ccc(\C=C\2/CCCCC2=O)cc1)\C=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"693440"	"693440"	"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate"	"COc1ccc(\C=C\C(=O)Oc2ccc(\C=C\3/CCCCC3=O)cc2)cc1"	0	""	""	2	2	5922684	""
"693442"	"693442"	""	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccc(Cl)cc3)cc2)\C1=O"	0	NA	NA	2	2	NA	""
"693443"	"693443"	"2-{4-[3-(3,4-dichlorophenyl)-2-propenyloxy]phenyl}-methy..."	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)\C1=O"	0	NA	NA	2	2	NA	""
"693536"	"693536"	""	"CC(=O)OCC1OC(OC(C)(C)CC\C=C(/C)\[C@H]2CC\C(=C\CC\C(=C\C2)\C)\C)C(O)C(O)C1OC(=O)C"	0	NA	NA	2	2	NA	""
"693537"	"693537"	""	"CC(=O)OCC1OC(OC(C)(C)CC\C=C(/C)\[C@H]2CC\C(=C\CC\C(=C\C2)\C)\C)C(O)C(O)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"693538"	"693538"	"Elisabethasin A"	"C[C@@H]1C[C@H](C=C(C)C)[C@]2([C@H]1CC[C@H](C)C2=O)C(=O)C(=C)C"	0	""	""	1	1	392732	""
"693539"	"693539"	"[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)C(OC(=O)CC6=CCCC6)[C@@H]14"	0	""	""	3	3	392733	""
"693543"	"693543"	"4-Acridinecarboxamide, 9-amino-N-[3-[(2-aminoethyl)amino..."	"Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12"	0	NA	NA	2	2	NA	""
"693544"	"693544"	""	"CNc1c2cccc(C)c2nc3c(cccc13)C(=O)NCCN(C)C"	0	NA	NA	2	2	NA	""
"693545"	"693545"	"4-Acridinecarboxamide, 9-amino-N-[2-[(2-aminoethyl)amino..."	"Cc1cccc2c(N)c3cccc(C(=O)NCCNCCN)c3nc12"	0	NA	NA	2	2	NA	""
"693546"	"693546"	"1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-N-..."	"CNc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4"	0	""	""	2	1	392743	""
"693547"	"693547"	"2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine"	"Cc1ccc(c(O)c1)c2cc(nc(N)n2)c3ccccc3"	0	""	""	2	2	392744	""
"693561"	"693561"	"1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione"	"CCCC1=C(OC)C(=O)c2c(O)cc(OC)c3c4c(OC)cc(O)c5C(=O)C(=C(CCC)c(c1c23)c45)OC"	0	""	""	1	1	3701764	""
"693562"	"693562"	"2,11-Dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione"	"COc1cc(OC)c2c3c(OC)cc(OC)c4C(=O)C(=C(\C=C\C)c(c5C(=C(O)C(=O)c1c25)\C=C\C)c34)O"	0	""	""	1	1	135505160	""
"693563"	"693563"	"N-[5-[(E)-3-[8-(Chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide"	"CCCC(=O)Nc1cc(\C=C\C(=O)N2CC(CCl)c3c2cc(OCc4ccccc4)c5[nH]cc(C)c35)n(C)c1"	0	""	""	2	2	5469857	""
"693568"	"693568"	"2-Amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O"	0	""	""	1	1	375165	""
"693569"	"693569"	"Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride"	"CCOC(=O)CNC(=O)C(CSC(=O)N(O)c1ccc(Cl)cc1)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	392750	""
"693570"	"693570"	"Ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride"	"CCOC(=O)CNC(=O)C(CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	392752	""
"693571"	"693571"	"N,N-Dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	5469858	""
"693572"	"693572"	"4-[(Z)-(6-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1ccc2c(c1)\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n24"	0	""	""	2	2	5469860	""
"693573"	"693573"	"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3cc(O)ccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	5469862	""
"693576"	"693576"	"N,N-Dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C\c2cc(c3ccccc3)[n+](C)n2c4ccccc4)cc1"	0	""	""	2	2	5469868	""
"693592"	"693592"	""	"CO[C@](C(=O)OC[C@H]1[C@@H](COC(=O)C)[C@@H]2O[C@H]1c3cc4OCOc4cc23)(c5ccccc5)C(F)(F)F"	0	NA	NA	1	1	NA	""
"693619"	"693619"	"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3ccncn3"	0	""	""	1	1	5918602	""
"693620"	"693620"	"5-Nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine"	"[O-][N+](=O)c1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	""	""	2	2	6519692	""
"693622"	"693622"	"N-[(E)-[(4-Methoxyphenyl)-pyridin-2-ylmethylidene]amino]pyridin-2-amine"	"COc1ccc(cc1)\C(=N/Nc2ccccn2)\c3ccccn3"	0	""	""	2	2	9630043	""
"693623"	"693623"	"N-[(Z)-[Phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine"	"N(\N=C(/c1ccccc1)\c2cccnn2)c3ccccn3"	0	""	""	3	2	6418605	""
"693624"	"693624"	"6-Chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine"	"Clc1cc(N\N=C(/c2ccccc2)\c3ncccn3)ncn1"	0	""	""	1	1	5893153	""
"693625"	"693625"	"N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyridin-2-amine"	"N(\N=C(/c1ccccc1)\c2ncccn2)c3ccccn3"	0	""	""	2	2	6289386	""
"693626"	"693626"	"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine"	"N(\N=C(\c1ccccc1)/c2ccccn2)c3cnc4ccccc4n3"	0	""	""	2	2	5869744	""
"693627"	"693627"	""	"Clc1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	NA	NA	2	2	NA	""
"693628"	"693628"	"3-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine"	"FC(F)(F)c1cnc(N\N=C(/c2ccccc2)\c3ccccn3)c(Cl)c1"	0	""	""	1	1	5905604	""
"693629"	"693629"	"5-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine"	"FC(F)(F)c1cc(Cl)cnc1N\N=C(\c2ccccc2)/c3ccccn3"	0	""	""	1	1	6067084	""
"693630"	"693630"	"N-[(E)-1-Pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cccnn3"	0	""	""	1	1	9572043	""
"693631"	"693631"	"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cnccn3"	0	""	""	2	2	9572044	""
"693632"	"693632"	"2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]th..."	"C\C(=N/Nc1nc2ccccc2s1)\c3ccncn3"	0	""	""	2	2	5351439	""
"693633"	"693633"	"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cc(C)ncn3"	0	""	""	3	2	9572045	""
"693634"	"693634"	"5-Fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(F)ccc2s1)\c3ccccn3"	0	""	""	2	2	9572046	""
"693635"	"693635"	"N-[(E)-1-Pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine"	"C\C(=N/Nc1nc2cccnc2s1)\c3ccccn3"	0	""	""	2	2	9572047	""
"693636"	"693636"	"N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3ncccn3"	0	""	""	2	2	9572048	""
"693637"	"693637"	"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine"	"C\C(=N/Nc1oc2ccccc2n1)\c3cc(C)ncn3"	0	""	""	2	2	9572049	""
"693638"	"693638"	"Ethanone, 1-(3-isoquinolinyl)-, (2-benzoxazolyl)hydrazone"	"C\C(=N/Nc1oc2ccccc2n1)\c3cc4ccccc4cn3"	0	""	""	2	2	9572050	""
"693639"	"693639"	"Ethanone, 1-(2-pyrimidinyl)-, (2-benzoxazolyl)hydrazone"	"C\C(=N/Nc1oc2ccccc2n1)\c3ncccn3"	0	""	""	2	2	9572051	""
"693700"	"693700"	""	"CC(=CCCC1(C)Oc2c(CC=C(C)C)c3O[C@@]45C6C[C@@H](C=C4C(=O)c3c(OC(=O)C)c2C=C1)C(=O)C5(C\C=C(\C)/C(=O)O)OC6(C)C)C"	0	NA	NA	3	1	NA	""
"693702"	"693702"	"Gambogic acid"	"CC(=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45C6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)/C(=O)O)OC6(C)C)C"	0	NA	NA	2	2	NA	"2752650"
"693714"	"693714"	"3,3'-Bi-1H-Indole, 2,2'-dipropyl-"	"CCCc1[nH]c2ccccc2c1c3c(CCC)[nH]c4ccccc34"	0	""	""	2	2	392793	""
"693718"	"693718"	"1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate"	"COC(=O)C1CCC(=S)N1C(=O)OCc2ccccc2"	0	""	""	1	1	392797	""
"693720"	"693720"	"AQ-776/42801691"	"COC(=O)C1CCC(=S)N1C(=O)c2ccccc2"	0	""	""	1	1	392799	""
"693765"	"693765"	"3-Chloro-6-[(3,5-dimethoxyphenoxy)methyl]-2-phenylquinoxaline"	"COc1cc(OC)cc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)c1"	0	""	""	1	1	392809	""
"693766"	"693766"	"3-Chloro-6-[(4-methoxyphenoxy)methyl]-2-phenylquinoxaline"	"COc1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1"	0	""	""	1	1	392810	""
"693767"	"693767"	"Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	1	392811	""
"693769"	"693769"	"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile"	"FC(F)(F)c1ccc2nc(c(COc3ccc(cc3)C#N)nc2c1)c4ccccc4"	0	""	""	1	1	392813	""
"693773"	"693773"	"3-Chloro-6-[(4-fluorophenoxy)methyl]-2-phenylquinoxaline"	"Fc1ccc(OCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)cc1"	0	""	""	1	1	392817	""
"693774"	"693774"	"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline"	"Fc1ccc(cc1)N(CC#C)Cc2ccc3nc(c(Cl)nc3c2)c4ccccc4"	0	""	""	1	1	392818	""
"693776"	"693776"	"3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline"	"Fc1ccc(OCc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F)cc1"	0	""	""	2	1	392820	""
"693804"	"693804"	"2-Cyano-4H-thieno[3,2-b]-1,4-thiazine 1,1-dioxide"	"O=S1(=O)C(=CNc2sccc12)C#N"	0	""	""	1	1	392827	""
"693806"	"693806"	"3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide"	"Cc1oc(N)c(c1C)S(=O)(=O)c2cc3ccccc3[n+]([O-])c2N"	0	""	""	1	1	496556	""
"693813"	"693813"	"5-[2-(4-Chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile"	"Cc1c(C)n(CCc2ccc(Cl)cc2)c3NC(C(C#N)S(=O)(=O)c13)c4ccccc4"	0	""	""	2	2	392835	""
"693815"	"693815"	"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-"	"FC(F)(F)C(=O)Nc1sccc1S(=O)(=O)c2ccc(Cl)cc2"	0	""	""	1	1	392837	""
"693816"	"693816"	"Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	"O=C(Nc1sccc1S(=O)(=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	392838	""
"693817"	"693817"	"n-(3-tosylthiophen-2-yl)benzamide"	"Cc1ccc(cc1)S(=O)(=O)c2ccsc2NC(=O)c3ccccc3"	0	""	""	2	2	392839	"360071609"
"693852"	"693852"	"11-chloro-10H-indolo[3,2-b]quinoline"	"Clc1c2ccccc2nc3c4ccccc4[nH]c13"	0	""	""	1	1	5454187	""
"693853"	"693853"	"1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone"	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	392841	""
"693854"	"693854"	"Cubane-1,3,5,7-tetracarboxylic acid"	"OC(=O)C12C3C4(C5C(C1C35C(=O)O)(C24)C(=O)O)C(=O)O"	0	""	""	1	1	392842	""
"693857"	"693857"	"Ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(OC)cc2)c3c(CC1(C)O)nn(c3O)c4ccccc4"	0	""	""	1	1	392845	""
"693858"	"693858"	"Ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(OC)cc2)c3c(O)n(nc3CC1(O)OCC)c4ccccc4"	0	""	""	1	1	392846	""
"693859"	"693859"	"Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(O)c(OC)c2)c3c(O)[nH]nc3CC1(C)O"	0	""	""	1	1	392847	""
"693861"	"693861"	"Ethyl 6-ethoxy-6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate"	"CCOC(=O)C1C(c2ccc(OCC=C)c(OC)c2)c3c(O)[nH]nc3CC1(O)OCC"	0	""	""	1	1	392849	""
"693867"	"693867"	"(3e)-7-Chloro-4-hydroxy-1-oxido-3-(p-tolylimino)quinoxalin-1-ium-2-carbonitrile"	"Cc1ccc(Nc2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1"	0	""	""	2	2	135457335	""
"693869"	"693869"	"2-Quinoxalinecarbonitrile , 7-chloro-3-(phenylamino)-, 1..."	"[O-][n+]1c(Nc2ccccc2)c(C#N)[n+]([O-])c3cc(Cl)ccc13"	0	""	""	2	2	135400998	""
"693870"	"693870"	"3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide"	"Cc1cc2c(cc1C)[n+]([O-])c(C#N)c(Cl)[n+]2[O-]"	0	""	""	1	1	392858	""
"693871"	"693871"	"8-Quinolinol, 7-[(1-pyrrolidinyl)methyl]-, dihydrochloride"	"Oc1c(CN2CCCC2)ccc3cccnc13"	0	""	""	2	2	392859	""
"693872"	"693872"	"7-(Diethylaminomethyl)quinolin-8-ol hydrochloride"	"CCN(CC)Cc1ccc2cccnc2c1O"	0	""	""	1	1	392861	""
"693882"	"693882"	"1-Propanone, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) ami..."	"CC\C(=N/OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	NA	""
"693883"	"693883"	"Acetaldehyde, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) am..."	"C\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	""	""	2	2	9556327	""
"693884"	"693884"	""	"CCC\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	1	1	NA	""
"693885"	"693885"	"1-Propanone, 1-chloro-2-methyl-, O-[[(4-fluoro- 3-nitrop..."	"CC(C)\C(=N\OC(=O)Nc1ccc(F)c(c1)[N+](=O)[O-])\Cl"	0	NA	NA	2	2	NA	""
"693923"	"693923"	"zlchem 373"	"COC(=O)C1CCN(CC1)C(=O)OC(C)(C)C"	0	""	""	1	1	392870	""
"693925"	"693925"	"Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate"	"CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)OC(C)(C)C"	0	""	""	1	1	392872	""
"693983"	"693983"	"2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-2,4-diox..."	"CCOC(=O)\C=C(/N1C=CC(=O)N(CC#C)C1=O)\C(=O)OCC"	0	""	""	2	2	5469884	""
"693984"	"693984"	"2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-2,4-diox..."	"CCOC(=O)\C=C(\N1C=CC(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	5469885	""
"693985"	"693985"	"2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-5-methyl..."	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(CC#C)C1=O)\C(=O)OCC"	0	""	""	2	2	5469886	""
"693986"	"693986"	"2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-5-methyl..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	5469887	""
"693987"	"693987"	"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	1	1	5469888	""
"693988"	"693988"	"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	2	2	5469889	""
"693990"	"693990"	"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=CC(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	1	1	5469891	""
"693991"	"693991"	"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	5469892	""
"693992"	"693992"	"Diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	5469893	""
"693993"	"693993"	"Diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=CC(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	5469894	""
"693995"	"693995"	"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	2	2	5469896	""
"693996"	"693996"	"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	2	2	5469897	""
"693997"	"693997"	"Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)\C(=O)OCC"	0	""	""	1	1	5469898	""
"693998"	"693998"	"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C=C(C)C(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)\C(=O)OCC"	0	""	""	1	1	5469899	""
"693999"	"693999"	"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cn(COCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	1	1	5469900	""
"694000"	"694000"	"2-Butenedioic acid, (E)-, 2-[3-[[[[2-(acetyloxy)ethoxy] ..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cnnn2COCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	5469901	""
"694001"	"694001"	"2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 1..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cn(CCCCOC(=O)C)nn2)C1=O)/C(=O)OCC"	0	""	""	2	2	5469902	""
"694002"	"694002"	"2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 3..."	"CCOC(=O)\C=C(\N1C=C(C)C(=O)N(Cc2cnnn2CCCCOC(=O)C)C1=O)/C(=O)OCC"	0	""	""	2	2	5469903	""
"694071"	"694071"	"Naphtho[2,3-b]thiophene-4,9-dione, 2-acetyl-"	"CC(=O)c1cc2C(=O)c3ccccc3C(=O)c2s1"	0	""	""	2	2	392893	""
"694072"	"694072"	"Naphtho[2,3-b]thiophene-4,9-dione, 3-acetyl-"	"CC(=O)c1csc2C(=O)c3ccccc3C(=O)c12"	0	""	""	2	2	392894	""
"694073"	"694073"	"Naphtho[2,3-b]thiophene-4,9-dione, 2,7-diacetyl-"	"CC(=O)c1ccc2C(=O)c3cc(sc3C(=O)c2c1)C(=O)C"	0	""	""	2	2	392895	""
"694074"	"694074"	"(1S,2R,6E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one"	"C[C@@H]1CC\C=C(/C)\CCC[C@@](C)(O)[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O2"	0	""	""	1	1	5469904	""
"694075"	"694075"	"(3As,5R,9E,14S,15R,15aR)-5,15-dihydroxy-10,14-dimethyl-3,6-dimethylidene-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-2-one"	"C[C@H]1CCC\C(=C\CCC(=C)[C@H](O)C[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]1O)\C"	0	""	""	2	2	5469905	""
"694076"	"694076"	"(1R,4S,8S,10E,14S)-1,10,14-Trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one"	"C\C\1=C/CC[C@]2(C)CCC[C@](C)(CC[C@@H]3[C@H](C1)OC(=O)C3=C)O2"	0	""	""	1	1	54598865	""
"694082"	"694082"	""	"OCCCCC[C@H](OC(=O)c1ccccc1)[C@H]2COC(=O)N2"	0	NA	NA	1	1	NA	""
"694088"	"694088"	"7-Benzyl-2-(4-phenylphenyl)-1H-indole"	"C(c1ccccc1)c2cccc3cc([nH]c23)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	392906	""
"694095"	"694095"	"1-(Bis(acetyloxy)amino)-4-methylbenzene"	"CC(=O)ON(OC(=O)C)c1ccc(C)cc1"	0	""	""	1	1	392912	""
"694099"	"694099"	""	"Cc1cc(C)c(N)c(CO)c1"	0	NA	NA	2	2	NA	""
"694100"	"694100"	"Benzenemethanol, 2-amino-3,5-dimethyl-"	"Cc1cc(C)c(N)c(CO)c1"	0	NA	NA	2	2	NA	""
"694104"	"694104"	"5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid"	"Cc1cc(on1)c2ccc([nH]2)C(=O)O"	0	""	""	1	1	392920	""
"694160"	"694160"	"AE-641/09782016"	"Clc1ccc(Oc2ccc(cc2Cl)\N=C\c3ccc(Cl)cc3Cl)cc1"	0	""	""	1	1	392946	""
"694168"	"694168"	"3-(3-chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hyd..."	"CCOc1cc(ccc1O)C2SCC(=O)N2c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3"	0	""	""	1	1	392954	""
"694171"	"694171"	""	"Cc1ccc(cc1)S(=O)(=O)N2C3CC(C=C3)[C@@H]2C(Cl)(Cl)Cl"	0	NA	NA	2	1	NA	""
"694173"	"694173"	"1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one"	"CSC1C(=O)Nc2ccc3ccccc3c12"	0	""	""	1	1	392959	""
"694176"	"694176"	"Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate"	"COC(=O)CCC1=CCC2(SC)C(=O)Nc3cccc1c23"	0	""	""	1	1	392962	""
"694177"	"694177"	"11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione"	"O=C1N2C3CCCCCCC(C=C3)N2C(=O)N1c4ccccc4"	0	""	""	1	1	392963	""
"694178"	"694178"	"5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene"	"CC12CC1C(N=N2)(c3cccc(c3)[N+](=O)[O-])c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	392964	""
"694212"	"694212"	"5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one"	"CCc1cc(C2=NSC(=O)O2)c(s1)S(=O)(=O)CC"	0	""	""	1	1	392970	""
"694214"	"694214"	""	"O=C(O\N=C/1\C=CC(=O)\C(=N/OC(=O)c2ccccc2)\C1=O)c3ccccc3"	0	NA	NA	1	1	NA	""
"694220"	"694220"	"C4H6N8O"	"NNc1nc2nonc2nc1NN"	0	""	""	2	1	392978	""
"694226"	"694226"	"3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide"	"N\C(=N\C#N)\c1sc2nc3CCCCc3c(c4ccc(Br)cc4)c2c1N"	0	""	""	1	1	392984	""
"694230"	"694230"	"N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea"	"Oc1cc(cc(O)c1O)C(=O)NC(=S)NC(=O)c2cc(O)c(O)c(O)c2"	0	""	""	1	1	3005352	""
"694234"	"694234"	"4-(1-(4-Aminophenyl)-3,4-diphenyl-1H-1.lambda.~4~-thien-1-yl)phenylamine"	"Nc1ccc(cc1)S2(C=C(C(=C2)c3ccccc3)c4ccccc4)c5ccc(N)cc5"	0	""	""	2	1	392992	""
"694253"	"694253"	"STK846793"	"[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2nc3ccccc3s2"	0	""	""	2	2	393001	""
"694254"	"694254"	"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one"	"COc1ccc(cc1)C2=C(N)N(C(=O)c3cc(ccc23)[N+](=O)[O-])c4nc5ccccc5s4"	0	""	""	1	1	393002	""
"694256"	"694256"	""	"Cn1c(nc2ccccc12)[C@H](C#N)c3ncccc3[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"694259"	"694259"	"4-Methylbenzenesulfonate;7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCc5ccccn5)c(C#N)c13"	0	""	""	2	2	393007	""
"694261"	"694261"	"5-Chloro-3-nitrobenzimidazo[1,2-a]quinoline-6-carbonitrile"	"[O-][N+](=O)c1ccc2c(c1)c(Cl)c(C#N)c3nc4ccccc4n23"	0	""	""	2	2	393011	""
"694262"	"694262"	"4-Methylbenzenesulfonate;7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCCN5CCOCC5)c(C#N)c13"	0	""	""	2	2	393012	""
"694264"	"694264"	""	"[O-][N+](=O)c1cccnc1[C@@H](C#N)c2nc3ccccc3s2"	0	NA	NA	2	1	NA	""
"694265"	"694265"	"STL338719"	"CN1C2=C(C#N)C(=O)c3cccnc3N2c4ccccc14"	0	""	""	2	2	393017	""
"694266"	"694266"	"NCIChal_000043"	"Cn1c2ccccc2n3c4ccccc4c5nnc(N)c5c13"	0	""	""	2	2	393018	""
"694268"	"694268"	"5-(3-Imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate"	"C[n+]1c2ccccc2n3c4ccccc4c(NCCCn5ccnc5)c(C#N)c13"	0	""	""	2	2	393022	""
"694269"	"694269"	"Benzimidazo[1,2-a][1,8]naphthyridin-7-ium, 6-cyano-5-[[2..."	"COc1cccc(CCNc2c(C#N)c3[n+](C)c4ccccc4n3c5ncccc25)c1"	0	""	""	2	2	393024	""
"694316"	"694316"	"4-Chloro-5-nitro-1H-indazole"	"[O-][N+](=O)c1ccc2[nH]ncc2c1Cl"	0	""	""	1	1	393038	""
"694341"	"694341"	"6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone"	"O=C1CNc2cc(ccc2N1)N3CCCCC3"	0	""	""	1	1	393057	""
"694342"	"694342"	"Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)cc1)C(=O)OCC"	0	""	""	2	2	393058	""
"694454"	"694454"	"VGNDLIWXFSMOLL-UHFFFAOYSA-N"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	1	1	393068	""
"694456"	"694456"	"5-Acetamido-N-[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]-1-methylpyrazole-3-carboxamide"	"CC(=O)Nc1cc(nn1C)C(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	2	393071	""
"694470"	"694470"	"Ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"CCOC(=O)c1cc2c3ccn(Cc4ccccc4)c3cc(O)c2[nH]1"	0	""	""	1	1	393085	""
"694472"	"694472"	"Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate"	"CCOC(=O)c1cc2C3=C(CC(=O)c2[nH]1)N(Cc4ccccc4)CC3"	0	""	""	1	1	393087	""
"694475"	"694475"	"1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone"	"Cc1cc(on1)c2ccc([nH]2)C(=O)C(c3ccccc3)(c4ccccc4)c5ccccc5"	0	""	""	1	1	393091	""
"694477"	"694477"	"DAMPA Ethyl Ester"	"CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	1	1	393093	""
"694478"	"694478"	"SEOUDLUVPQXRMF-UHFFFAOYSA-N"	"CCCC(C)NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	1	1	393094	""
"694480"	"694480"	"N-(1-Adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	393096	""
"694482"	"694482"	"N-Cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC4CCCCC4"	0	""	""	1	1	393097	""
"694483"	"694483"	"Isobutoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate"	"CC(C)COC(=O)OC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2"	0	""	""	2	2	393098	""
"694484"	"694484"	"4-[N-(4-amino-4-deoxy-N10-methylpteroyl)aminobutanoic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCCCC(=O)O"	0	""	""	2	2	393099	""
"694485"	"694485"	"Benzoic acid, 4-[[(2,4-diaminopteridinyl)-6-methyl] (for..."	"Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)O)cnc2n1"	0	""	""	2	2	393100	""
"694486"	"694486"	"2,4-Diamino-7-(4-chloroanilino)methylpteridine"	"CN(Cc1cnc2c(N)nc(N)nc2n1)c3ccc(Cl)cc3"	0	""	""	1	1	393101	""
"694488"	"694488"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 3-(acetoxym..."	"CC(=O)OCc1cnc2c3ncccc3C(=O)c4nc5ccccc5c1c24"	0	""	""	2	2	4998422	""
"694489"	"694489"	"Benz[b]acridine-12-acetaldehyde, 6,11-dihydro- .alpha.-m..."	"C=C(C=O)c1c2C(=O)c3ccccc3C(=O)c2nc4ccccc14"	0	""	""	2	2	393103	""
"694490"	"694490"	"Benz[b]acridine-6,11-dione, 12,12'-(3,5-pyridinediyl)bis-"	"O=C1c2ccccc2C(=O)c3c1nc4ccccc4c3c5cncc(c5)c6c7C(=O)c8ccccc8C(=O)c7nc9ccccc69"	0	""	""	2	2	393104	""
"694491"	"694491"	"Pyrido[2,3-b]acridine-5,12-dione, 11-(8-oxo-8H-benzo[mn]..."	"O=C1c2cccnc2C(=O)c3c1nc4ccccc4c3c5ccc6c7ccccc7nc8C(=O)c9cccnc9c5c68"	0	""	""	2	2	393105	""
"694493"	"694493"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridi..."	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6cccnc6"	0	""	""	2	2	4532977	""
"694494"	"694494"	"11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one"	"O=C1c2cccnc2c3nc(cc4c5ccccc5nc1c34)c6ccncc6"	0	""	""	1	1	4261195	""
"694497"	"694497"	"Methyl 12-methyl-[3]benzoxepino[1,2-b]indole-5-carboxylate"	"COC(=O)C1=COc2c(c3ccccc13)n(C)c4ccccc24"	0	""	""	1	1	393109	""
"694498"	"694498"	"4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5..."	"CCN(CC)CCCNc1nncc2cc3c4ccccc4[nH]c3c(C)c12"	0	""	""	1	1	393110	""
"694500"	"694500"	"2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate"	"Cc1cc[n+](cc1)[Pt+2]23[n+]4ccccc4c5cccc(c6cccc[n+]26)[n+]35.F[B-](F)(F)F"	0	""	""	3	2	24202574	""
"694501"	"694501"	"BN-2629"	"COc1cc2C(=O)N3CC(=C)C[C@H]3C=Nc2cc1OCCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC"	0	"Db"	"Clinical trial"	5	2	393111	"232931576"
"694509"	"694509"	"12,13-bis-epi-Eupalmerin"	"C[C@@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O)\C"	0	""	""	2	2	5469941	""
"694520"	"694520"	"9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid"	"CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O"	0	""	""	1	1	393120	""
"694527"	"694527"	"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide"	"CC1(C)CC(=O)c2c(C1)nc3c(ccc4ccccc34)c2c5ccc(NC(=O)CCCCCCCCC(=O)Nc6ccc(cc6)c7c8C(=O)CC(C)(C)Cc8nc9c7ccc%10ccccc9%10)cc5"	0	""	""	1	1	393129	""
"694535"	"694535"	"11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol"	"OCCCCCCCCCCCOc1ccc(cc1)C2OCC3(CCC=CC3)CO2"	0	""	""	1	1	393133	""
"694536"	"694536"	"11-[4-[(E)-[(2,4-Dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol"	"OCCCCCCCCCCCOc1ccc(\C=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	2	2	9556330	""
"694559"	"694559"	"2,2-Dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one"	"O=C1NCc2ccccc2S(=O)(=O)n3cccc13"	0	""	""	1	1	393146	""
"694564"	"694564"	"4-Methoxy-3-[3-[[4-(4-methoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanylquinoline"	"COc1c(Sc2c(SCSc3cnc4ccccc4c3Sc5cnc6ccccc6c5OC)cnc7ccccc27)cnc8ccccc18"	0	""	""	1	1	393153	""
"694565"	"694565"	"3-[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]quinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanyl-1H-quinolin-4-one"	"O=C1C(=CNc2ccccc12)Sc3c(SCSc4cnc5ccccc5c4SC6=CNc7ccccc7C6=O)cnc8ccccc38"	0	""	""	1	1	393154	""
"694569"	"694569"	"Benzenecarboximidothioic acid, N-[(diethylamino) thioxom..."	"CCN(CC)C(=S)S\C(=N/C(=S)N(CC)CC)\c1ccccc1"	0	NA	NA	2	2	NA	""
"694610"	"694610"	"2,3-Dihydro-2,3-dihydroxy-brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C(O)C(O)C(=O)O1"	0	""	""	2	2	10757635	""
"694611"	"694611"	"1,13-bis-tert-Butyldimethylsilyloxy-2,3,10,11-tetrahydro..."	"C[C@H]1CCCC(O)C(O)[C@@H]2C[C@@H](C[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O1)O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	24202575	""
"694612"	"694612"	"2,3-Dihydro-1,2-syn-2-[carbomethoxymethylsulphonyl]-10,1..."	"COC(=O)CS(=O)(=O)[C@H]1CC(=O)O[C@@H](C)CCCC2OC2[C@@H]3C[C@H](O)C[C@H]3[C@@H]1O"	0	""	""	1	1	24202576	""
"694614"	"694614"	"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	"Cc1cnc2SN(C(=O)c2c1)c3ccc(Br)cc3"	0	""	""	1	1	393160	""
"694616"	"694616"	"2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3(2H..."	"[O-][N+](=O)c1cnc2SN(C(=O)c2c1)c3ccc(Br)cc3"	0	""	""	1	1	393162	""
"694619"	"694619"	"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"Cc1cnc2SN(C(=O)c2c1)c3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	393165	""
"694620"	"694620"	"5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one"	"[O-][N+](=O)c1cnc2SN(C(=O)c2c1)c3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	393166	""
"694621"	"694621"	"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"COc1ccc(cc1)N2Sc3ncccc3C2=O"	0	""	""	1	1	393167	""
"694623"	"694623"	"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one"	"CCCCc1ccc(cc1)N2Sc3ncccc3C2=O"	0	""	""	1	1	393169	""
"694624"	"694624"	"2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one"	"CCCCc1ccc(cc1)N2Sc3ncc(cc3C2=O)[N+](=O)[O-]"	0	""	""	1	1	393170	""
"694628"	"694628"	"5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	"Cc1cnc2c(c1)C(=O)N(c3ccc(cc3)[N+](=O)[O-])S2(=O)=O"	0	""	""	1	1	393174	""
"694631"	"694631"	"2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one"	"CCCCc1ccc(cc1)N2C(=O)c3cc(cnc3S2(=O)=O)[N+](=O)[O-]"	0	""	""	1	1	393177	""
"694667"	"694667"	""	"CN1C(=O)[C@]2(CCC3(OCCO3)C=C2)c4ccccc14"	0	NA	NA	2	1	NA	""
"694673"	"694673"	"(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate"	"C[C@@H](NC(=O)OC1CCC2(C=C1)C(=O)N(C)c3ccccc23)c4cccc5ccccc45"	0	""	""	1	1	5469947	""
"694675"	"694675"	"N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide"	"CN(C(=O)C1=CCCCCC1)c2ccccc2I"	0	""	""	1	1	393187	""
"694679"	"694679"	"N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	"Ic1ccccc1N(Cc2ccccc2)C(=O)C3=CCC4(CC3)OCCO4"	0	""	""	1	1	393191	""
"694680"	"694680"	"N-(2-Iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide"	"C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c3ccccc3I"	0	""	""	1	1	393192	""
"694681"	"694681"	"N-[(Z)-(1'-Iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N\N=C/2\CCC3(C=C2)C(=O)N(I)c4ccccc34"	0	""	""	1	1	6081340	""
"694684"	"694684"	"2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide"	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)Nc1ccccc1I)OC"	0	""	""	1	1	5469952	""
"694687"	"694687"	"3-(2,2-Dimethoxyethyl)-1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one"	"COC(CC1(\C=C\O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc12)OC"	0	""	""	1	1	5469954	""
"694688"	"694688"	"2H-Indol-2-one, 1,3-dihydro-3-(2,2-dimethoxyethyl)- 1-[[..."	"COC(CC1(CCNc2ccccc2)C(=O)N(COCC[Si](C)(C)C)c3ccccc13)OC"	0	""	""	2	1	393200	""
"694689"	"694689"	""	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC"	0	NA	NA	1	1	NA	""
"694691"	"694691"	""	"COC(C\C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)\C(=O)N(COCC[Si](C)(C)C)c1ccccc1I)OC"	0	NA	NA	1	1	NA	""
"694692"	"694692"	"(2E)-N-(2-Iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide"	"CC(C)[Si](OC\C=C(\C(=O)N(C)c1ccccc1I)/C(C)(C)C=C)(C(C)C)C(C)C"	0	""	""	1	1	5469957	""
"694693"	"694693"	"N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide"	"CC(C)(C=C)C(=C)C(=O)Nc1ccccc1I"	0	""	""	1	1	393205	""
"694698"	"694698"	"Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate"	"COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)c3c(C)ccc4ccc(C)c2c34"	0	""	""	2	2	393210	""
"694766"	"694766"	""	"COC1=NC(=C(NC2OC(CO)C(O)C2O)C(=O)N1)N"	0	NA	NA	1	1	NA	""
"694859"	"694859"	"1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenylcarbamoyl]amino]phenyl]-1-phenylurea"	"NC(=O)N(CCCN(C(=O)Nc1ccc(NC(=O)N(CCCN(CCC#N)C(=O)N)c2ccccc2)cc1)c3ccccc3)CCC#N"	0	""	""	1	1	393232	""
"694909"	"694909"	"1-[(3S,5R)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione"	"CC(=C[C@@H]1C[C@@H](ON1CCO)N2C=C(C)C(=O)NC2=O)C"	0	""	""	1	1	393259	""
"694947"	"694947"	"[1-Tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium"	"CCOC(=O)c1ccc([nH]1)C(O)C([Ac])C(=O)OC(C)(C)C"	0	""	""	1	1	393281	""
"694950"	"694950"	"1-Benzyl-3,3-dimethoxypyrrolidin-2-one"	"COC1(CCN(Cc2ccccc2)C1=O)OC"	0	""	""	2	2	393285	""
"694955"	"694955"	"Ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate"	"CCOC(=O)c1ccc(C(=O)\C(=C\2/CCCN2)\C#N)n1C"	0	""	""	1	1	5469963	""
"694956"	"694956"	""	"CCOC(=O)c1ccc(C(=O)\C(=C\2/CCCN2C)\C(=O)C)n1C"	0	NA	NA	1	1	NA	""
"694957"	"694957"	"Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate"	"CCOC(=O)c1cc(Br)c(c2onc(C)c2Br)n1C"	0	""	""	1	1	393292	""
"694978"	"694978"	"2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate"	"COC(=O)C1CC2CN(C1C=C2)C(=O)OCc3ccccc3"	0	""	""	1	1	393313	""
"694980"	"694980"	"N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide"	"COc1cc(N(CC=C)S(=O)(=O)C)c(cc1NC(=O)C)[N+](=O)[O-]"	0	""	""	1	1	393315	""
"694981"	"694981"	"N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide"	"COc1cc(N(CC=C)S(=O)(=O)C)c(c2c(C)c[nH]c12)[N+](=O)[O-]"	0	""	""	1	1	393316	""
"695020"	"695020"	"Haliclonacylamine-A"	"C1CCC[C@@H]2CN3CCCC\C=C/CCCC[C@H]4C[C@H](CN(CCCC\C=C/CC1)C4)[C@H]2CC3"	0	""	""	2	2	5469974	"179733143"
"695040"	"695040"	"1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane"	"CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	2	1	5469976	""
"695041"	"695041"	"3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2cccc(Br)c2"	0	""	""	2	2	393333	""
"695044"	"695044"	"N'-Salicyloyl-2-thiophenecarbohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2cccs2"	0	""	""	1	1	393336	""
"695046"	"695046"	"2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide"	"Oc1ccccc1C(=O)NNC(=O)c2ccccc2Cl"	0	""	""	1	1	393338	""
"695053"	"695053"	"STK489894"	"Clc1cccc(NC(=S)Nc2ccccn2)c1"	0	""	""	1	1	3005366	""
"695055"	"695055"	"1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea"	"COc1ccccc1NC(=S)Nc2cccc(C)n2"	0	""	""	1	1	3001925	""
"695057"	"695057"	"1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea"	"Cc1ccnc(NC(=S)Nc2ccccc2Cl)c1"	0	""	""	1	1	3005369	""
"695059"	"695059"	"STK464917"	"Cc1ccnc(NC(=S)Nc2cccc(Cl)c2)c1"	0	""	""	1	1	3005371	""
"695061"	"695061"	"N-(4,6-Dimethyl-2-pyridinyl)-N'-(2-methoxyphenyl)thiourea"	"COc1ccccc1NC(=S)Nc2cc(C)cc(C)n2"	0	""	""	2	1	3005373	""
"695062"	"695062"	"N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	"Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2)c1"	0	""	""	2	1	3005374	""
"695063"	"695063"	"N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea"	"Cc1cc(C)nc(NC(=S)Nc2ccc(Cl)cc2)c1"	0	""	""	1	1	3005375	""
"695065"	"695065"	"1-(4-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	2	9571647	""
"695067"	"695067"	"EN300-03848"	"CN1N(C(=O)C(=C1C)NC(=S)NN)c2ccccc2"	0	""	""	1	1	722817	""
"695152"	"695152"	"4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate"	"CC(=O)OCCCCN1C(=O)CSc2ccccc12"	0	""	""	1	1	393356	""
"695163"	"695163"	"LS-123812"	"COc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	2	1	5469980	""
"695164"	"695164"	"2-Propen-1-one, 1-(2-benzimidazolyl)-3-(4-nitrophenyl)-"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	2	2	5469981	""
"695170"	"695170"	"[?]triamine"	"Nc1cc2Oc3cc(N)cc4Oc5cc(N)cc6Oc(c1)c2C(c56)c34"	0	""	""	2	1	393363	""
"695172"	"695172"	"(1S)-1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde"	"C[C@@]12c3c4Oc5ccc(C=O)c(Oc6c(C=O)ccc(Oc3c(C=O)cc4)c16)c25"	0	""	""	1	1	393365	""
"695174"	"695174"	"N-[11,17-Bis[2-(1,3-dioxoisoindol-2-yl)ethyl-(4-methylphenyl)sulfonylamino]-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-N-[2-(1,3"	"Cc1ccc(cc1)S(=O)(=O)N(CCN2C(=O)c3ccccc3C2=O)c4cc5Oc6cc(cc7Oc8cc(cc9Oc(c4)c5C(C)(c89)c67)N(CCN%10C(=O)c%11ccccc%11C%10=O)S(=O)(=O)c%12ccc(C)cc%12)N(CCN%13C(=O)c%14ccccc%14C%13=O)S(=O)(=O)c%15ccc(C)cc%15"	0	""	""	1	1	16129828	""
"695175"	"695175"	"2,3-Dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide"	"Cc1ccc(cc1)S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c3cc4Oc5cccc6Oc7cccc8Oc(c3)c4C(C)(c78)c56"	0	""	""	1	1	393367	""
"695176"	"695176"	"N-(2-Aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CCN)c2cc3Oc4cccc5Oc6cccc7Oc(c2)c3C(c67)c45"	0	""	""	1	1	393368	""
"695177"	"695177"	"Acetic acid, 2-[(12c-methyl-12cH-4,8,12-trioxadi-benzo[c..."	"COC(=O)C(=O)Nc1cc2Oc3cccc4Oc5cccc6Oc(c1)c2C(C)(c56)c34"	0	""	""	2	2	393369	""
"695180"	"695180"	""	"C[C@]12C3C4Oc5cc(NC(=O)C(=O)NCc6ccc(nc6)c7ccccn7)cc(Oc8cc(NC(=O)C(=O)NCc9ccc(nc9)c%10ccccn%10)cc(OC3=CC(=C4)NC(=O)C(=O)NCc%11ccc(nc%11)c%12ccccn%12)c18)c25"	0	NA	NA	1	1	NA	""
"695214"	"695214"	"3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid"	"CC(C)[Si](OC12CCC(CC1O)CC2C(=O)O)(C(C)C)C(C)C"	0	""	""	1	1	393381	""
"695215"	"695215"	"5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol"	"CC(C)[Si](OC12CCC(CC1O)CC2CO)(C(C)C)C(C)C"	0	""	""	1	1	393382	""
"695228"	"695228"	""	"CC(C)[Si](O[C@]12CC[C@H](C[C@H]1NC(=O)OCC(Cl)(Cl)Cl)[C@H](CC=C)C2=O)(C(C)C)C(C)C"	0	NA	NA	1	1	NA	""
"695251"	"695251"	"6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile"	"Cc1c(C#N)c2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	393408	""
"695264"	"695264"	"AE-413/36101002"	"Nc1ccc(Sc2ccc(N)c(c2)C#N)cc1C#N"	0	""	""	1	1	393410	""
"695265"	"695265"	"5,5'-Thiobis(2-nitrobenzoic acid)"	"OC(=O)c1cc(Sc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-]"	0	""	""	2	1	393411	""
"695267"	"695267"	"2,4-Quinazolinediamine, 6,6'-thiobis-"	"Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1"	0	""	""	2	1	393413	""
"695301"	"695301"	"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile"	"O=C1N(C(=N/C/1=C\c2ccc(cc2)N(CCC#N)CCC#N)c3ccccc3)c4ccccc4"	0	""	""	1	1	5469989	""
"695302"	"695302"	"3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile"	"Clc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	5469990	""
"695304"	"695304"	"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile"	"COc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	5469992	""
"695306"	"695306"	"4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid"	"OC(=O)c1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CCC#N)CCC#N)\N=C2c4ccccc4"	0	""	""	1	1	5469994	""
"695313"	"695313"	"Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccccc2nc1Oc3ccc(F)cc3"	0	""	""	1	1	393426	""
"695315"	"695315"	"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccc(cc2nc1Oc3cc(OC)c(OC)c(OC)c3)C(F)(F)F"	0	""	""	1	1	393428	""
"695317"	"695317"	"Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2ccccc2nc1Oc3ccc(cc3)C(=O)OC"	0	""	""	1	1	393430	""
"695323"	"695323"	"3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine"	"COc1cc(OC)cc(Oc2nc3c(N)cc(cc3nc2c4ccccc4)C(F)(F)F)c1"	0	""	""	1	1	393436	""
"695325"	"695325"	"1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea"	"Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)n1"	0	""	""	1	1	3005381	""
"695329"	"695329"	"1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea"	"[O-][N+](=O)c1ccc(NC(=S)Nc2ccccn2)cc1"	0	""	""	2	2	3005383	""
"695331"	"695331"	"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2ccc(cc2)[N+](=O)[O-])c3ccccc3"	0	""	""	1	1	9571650	""
"695333"	"695333"	"1-(3-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea"	"CN1N(C(=O)C(=C1C)\C=N\NC(=S)Nc2cccc(Cl)c2)c3ccccc3"	0	""	""	1	1	9571652	""
"695368"	"695368"	""	"CC(=O)NCCC1CN(C(=O)\C=C/I)c2ccccc12"	0	NA	NA	2	1	NA	""
"695369"	"695369"	""	"CC(=O)NCCC1CN(C(=O)\C=C/C#C[Si](C)(C)C)c2ccccc12"	0	NA	NA	1	1	NA	""
"695394"	"695394"	"Asimicinone"	"CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCCCCCC[C@@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	3	2	393461	""
"695395"	"695395"	"Trilobacinone"	"CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCCCCCC[C@@H]3CC(CC(=O)C)C(=O)O3"	0	""	""	2	2	393462	""
"695399"	"695399"	"Longimicin A"	"CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O"	0	""	""	3	2	393466	""
"695400"	"695400"	"Longimicin D"	"CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@H](O)CC[C@H](O)CCCCCCCC3=C[C@H](C)OC3=O"	0	""	""	1	1	393467	""
"695404"	"695404"	"Annonacin A"	"CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O"	0	""	""	2	2	393471	""
"695405"	"695405"	"Muricatetrocin B"	"CCCCCCC(O)C(O)CCC(O)C1CCC(CCCCC(O)CC2=CC(C)OC2=O)O1"	0	""	""	2	2	393472	""
"695408"	"695408"	"Annoglaucin"	"CCCCCCCCCCC(O)C1CCC(O1)C2CCC(O2)C(O)CCCCC(O)CCCCCC(O)CC3=CC(C)OC3=O"	0	""	""	3	2	393475	""
"695409"	"695409"	"Squamone"	"CCCCCCCCCCCCC(O)[C@H]1CC[C@@H](O1)C(O)CCCCCC(=O)CCCCC2CC(C(=O)C)C(=O)O2"	0	""	""	4	2	393476	""
"695416"	"695416"	"(Bipyridyl)dibenzyltindichloride"	"[ClH-][Sn+4]1([ClH-])([CH2-]c2ccccc2)([CH2-]c3ccccc3)[n+]4ccccc4c5cccc[n+]15"	0	NA	NA	3	2	NA	""
"695417"	"695417"	"Bis(indole)dibenzyltindichloride"	"[Cl-][Sn+4]([Cl-])(n1ccc2ccccc12)(n3ccc4ccccc34)([CH2-]c5ccccc5)[CH2-]c6ccccc6"	0	NA	NA	2	1	NA	""
"695418"	"695418"	"(Bipyridyl)dibenzyltindi(isothiocyanate)"	"S=C=[NH-][Sn+4]1([CH2-]c2ccccc2)([CH2-]c3ccccc3)([NH-]=C=S)[n+]4ccccc4c5cccc[n+]15"	0	NA	NA	2	1	NA	""
"695571"	"695571"	""	"Cc1sc(C)c2C(=O)CC(N)c12"	0	NA	NA	2	2	NA	""
"695572"	"695572"	""	"NC1CC(=O)c2cc(Cl)sc12"	0	NA	NA	1	1	NA	""
"695583"	"695583"	"(1S,4S,5R,8S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentade"	"C[C@@H]1CC[C@H]2C(C)C(OC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H](C3C)[C@@]46O5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27O8"	0	""	""	1	1	393525	""
"695585"	"695585"	"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccccc46"	0	""	""	2	2	393527	""
"695586"	"695586"	""	"[Cl-].[Cl-].Cc1cccc2c(N)c3cccc(C(=O)NCC[N+]4(Cc5ccc(cc5)[N+](=O)[O-])CCOCC4)c3nc12"	0	NA	NA	2	2	NA	""
"695587"	"695587"	""	"[Cl-].[Cl-].COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc4ccc(cc4)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"695588"	"695588"	"amino mmi-s02 ci"	"COc1ccc2[nH]c(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	393532	""
"695590"	"695590"	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc5c(cc(cc5[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-])c6ccccc46"	0	NA	NA	2	2	NA	""
"695591"	"695591"	"1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6..."	"CN(CCC(=O)N1CC(CCl)c2ccc(cc12)[N+](=O)[O-])CCC(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	393536	""
"695592"	"695592"	"amino mbf-cl"	"COc1ccc2oc(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	393538	""
"695605"	"695605"	"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione"	"CN(C)C1=C(C2OC(CO)C(O)C2O)C(=O)C1=O"	0	""	""	2	1	393543	""
"695628"	"695628"	"Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate"	"CCOC(=O)CC(=O)Nc1cccc2nc[nH]c12"	0	""	""	1	1	393558	""
"695636"	"695636"	"1-Nonyl-3-(2',6'-dimethyl-3',5'-diethoxycarbonyl-1',4'-d..."	"CCCCCCCCC[n+]1cccc(c1)C2C(=C(C)NC(=C2C(=O)OCC)C)C(=O)OCC"	0	""	""	2	2	393566	""
"695638"	"695638"	"1-Adamantyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxy..."	"Cc1[nH]c(c(O)c1C(=O)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	393569	""
"695643"	"695643"	"encyclan"	"CN1C2OC(=C(C2Nc3ccccc13)C(=O)OC4CC5CCC4(C)C5(C)C)C"	0	""	""	2	1	378680	"136471324"
"695645"	"695645"	"3-morpholinopropyl[?]one"	"O=C1N(CCCN2CCOCC2)N=C3CSc4c(ccc5ccccc45)N13"	0	""	""	1	1	393575	""
"695646"	"695646"	"13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one"	"Clc1cccc(c1)N2CCN(CCCN3N=C4CSc5c(ccc6ccccc56)N4C3=O)CC2"	0	""	""	1	1	393576	""
"695649"	"695649"	""	"NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(S)OC3CC(OC3CO)N4C=CC(=NC4=O)N)O2"	0	NA	NA	1	1	NA	""
"695650"	"695650"	"13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5ccccc5CSP678N9CCN6CCN7CCN8CC9"	0	""	""	1	1	393579	""
"695651"	"695651"	"13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5cccc(CSP678N9CCN6CCN7CCN8CC9)c5"	0	""	""	1	1	393580	""
"695652"	"695652"	"13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane"	"C(SP123N4CCN1CCN2CCN3CC4)c5ccc(CSP678N9CCN6CCN7CCN8CC9)cc5"	0	""	""	1	1	393581	""
"695655"	"695655"	"4,6-Dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-ylpyrimidine"	"Clc1ccc(cc1)C(Cc2cccc(Cl)c2)c3c(Cl)nc(nc3Cl)N4CCNCC4"	0	""	""	1	1	393584	""
"695659"	"695659"	"N,N-diethyl-thioxo-[?]amine"	"CCN(CC)P1(=S)Oc2ccc3ccccc3c2c4c(O1)ccc5ccccc45"	0	""	""	1	1	393588	""
"695672"	"695672"	"AK-60479"	"CNC(=O)C1OC(C(O)C1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23"	0	""	""	1	1	393593	""
"695673"	"695673"	"Furcelleran"	"CCOC(=O)C1=C(C)NC(=C(C1C#Cc2ccccc2)C(=O)OCc3ccccc3)c4ccccc4"	0	""	""	1	1	393594	""
"695674"	"695674"	"MRS 1220"	"Clc1ccc2nc(NC(=O)Cc3ccccc3)n4nc(nc4c2c1)c5occc5"	0	""	""	2	2	393595	""
"695782"	"695782"	"SJL 778"	"NCCCCC1[NH2+][Pt+2]([ClH-])([ClH-])[O-]C1=O"	0	NA	NA	1	1	NA	""
"695787"	"695787"	"[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] a"	"CO[C@]12CC3C[C@H]4CC5CC=C6C[C@H](CC[C@]6(OC(=O)C)C5C[C@]4(C)C3(C7C[C@H]8[C@@H]9CC=C%10C[C@H](CC[C@]%10(OC(=O)C)[C@H]9CC[C@]8(C)C17)OC(=O)C)C(=O)C2)OC(=O)C"	0	""	""	1	1	393598	""
"695788"	"695788"	"N(sup .alpha.)-[4-[(2,4-Diamino-5-methylpyrido[2,3-d] py..."	"Cc1c(CNc2ccc(cc2)C(=O)NC(CCCNC(=O)c3ccccc3C(=O)O)C(=O)O)cnc4nc(N)nc(N)c14"	0	""	""	3	3	393599	""
"695794"	"695794"	"Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl] pr..."	"Cc1c(c2ccc(O)cc2)n(CCCCCCNCCOC(=O)NCCCc3ccc(cc3)N(CCCl)CCCl)c4ccc(O)cc14"	0	""	""	1	1	393600	""
"695798"	"695798"	"7H-Dibenzo[a,c]cyclohepten-5-ol, 5,6-dihydro- 9,10,11-tr..."	"COc1cc2CCC(O)c3cc(SC)ccc3c2c(OC)c1OC"	0	""	""	2	2	393604	""
"695799"	"695799"	"7H-Dibenzo[a,c]cyclohepten-5(6H)-one, 9,10,11- trimethox..."	"COc1cc2CCC(=O)c3cc(SC)ccc3c2c(OC)c1OC"	0	""	""	2	2	393605	""
"695801"	"695801"	"2,11-Diaza-5,8-dioxadodecane, 1,12-bis(6-methoxy- 2-naph..."	"COc1ccc2cc(CNCCOCCOCCNCc3ccc4cc(OC)ccc4c3)ccc2c1"	0	""	""	3	3	393608	""
"695804"	"695804"	"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol"	"Nc1nc(Cl)cc(NCC2(CO)CC(CCCCc3ccccc3)C2)n1"	0	""	""	1	1	393613	""
"695835"	"695835"	"9,19-cycloart-23-ene-3.beta.,25-diol"	"C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C"	0	NA	NA	1	1	NA	"14599485"
"695840"	"695840"	"1H-Quinoxalin-2-one, 3-(bromomethyl)-7-(trifluoromethyl)-"	"FC(F)(F)c1ccc2N=C(CBr)C(=O)Nc2c1"	0	""	""	4	2	393632	""
"695847"	"695847"	"15-(3,4,5-Trimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-2,4,7,9(16)-tetraen-13-one"	"COc1cc(cc(OC)c1OC)C2C3C=CC=C4CC=CC(=C34)C5CCC(=O)N25"	0	""	""	1	1	393636	""
"695858"	"695858"	"9-Hydroxy-7,8-dimethoxy-5-naphthalen-1-yl-1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-3(2h)-one"	"COc1cc2C(N3C(CCC3=O)Cc2c(O)c1OC)c4cccc5ccccc45"	0	""	""	1	1	393647	""
"695859"	"695859"	"2,3-Dihydro-1,2-syn-2-[N,N-dimethylaminoethylsulfenyl]-b..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)CCN(C)C"	0	""	""	2	2	24202582	""
"695913"	"695913"	"5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione"	"OCc1csc2C(=O)c3sccc3C(=O)c12"	0	""	""	2	2	393648	""
"695914"	"695914"	"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, diacetate"	"CC(=O)Oc1c2ccsc2c(OC(=O)C)c3ccsc13"	0	""	""	2	2	393649	""
"695915"	"695915"	"KUC105261N"	"[O-][N+](=O)c1ccc(NC(=O)Nn2cnnc2)cc1"	0	""	""	1	1	393650	""
"695930"	"695930"	"XFYKIVIHHBDZRA-UHFFFAOYSA-N"	"CCOC(=O)c1cc(Sc2ccc(N)c(c2)C(=O)OCC)ccc1N"	0	""	""	1	1	393662	""
"695934"	"695934"	"1,3-Propanediamine, N'-(3-aminopropyl)-N-(9-methoxy- 5,1..."	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1"	0	NA	NA	2	2	NA	""
"695935"	"695935"	""	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1"	0	NA	NA	2	2	NA	""
"695936"	"695936"	"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-hep"	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)c4c(C)c3c2c1"	0	""	""	2	1	438992	""
"695937"	"695937"	"9-Acridinone, 1-[[[[(9-methoxy-5,11-dimethyl- 6H-pyrido[..."	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc(c6Nc7ccccc7C(=O)c56)[N+](=O)[O-])c4c(C)c3c2c1"	0	""	""	2	2	438994	""
"695938"	"695938"	"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen"	"COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6ncn7c8ccccc8C(=O)c5c67)c4c(C)c3c2c1"	0	""	""	2	2	438996	""
"695939"	"695939"	""	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)CCCNc4ccc5ncn6c7ccccc7C(=O)c4c56)c2c1"	0	NA	NA	2	2	NA	""
"695940"	"695940"	""	"NCCCN1CCN(CCCNc2ccc3ncn4c5ccccc5C(=O)c2c34)CC1"	0	NA	NA	1	1	NA	""
"695941"	"695941"	"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[3-[[3-[[5-nitro-1,..."	"CN(CCCNc1ccc2ncn3c4ccccc4C(=O)c1c23)CCCN5C(=O)c6cccc7cc(cc(C5=O)c67)[N+](=O)[O-]"	0	""	""	2	2	439002	""
"695943"	"695943"	"6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[(1,2-et..."	"O=C1c2ccccc2n3nnc4ccc(NCCCNCCNCCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)c1c34"	0	""	""	2	2	439006	""
"695944"	"695944"	""	"NCCCN1CCN(CCCNc2ccc3nnn4c5ccccc5C(=O)c2c34)CC1"	0	NA	NA	1	1	NA	""
"695945"	"695945"	"10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCN4CCN(CCCNc5ccc6nnn7c8ccccc8C(=O)c5c67)CC4)c2c1"	0	""	""	2	2	439010	""
"695946"	"695946"	"DAB389 IL-6, first 386 amino acid residues of diptheria ..."	""	0	NA	NA	3	2	NA	""
"696044"	"696044"	"Ethyl 3-nitroanthranilate"	"CCOC(=O)c1cccc(c1N)[N+](=O)[O-]"	0	""	""	1	1	393670	"61063114"
"696049"	"696049"	"3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-"	"O=C(Nc1sccc1S(=O)(=O)c2ccccc2)c3cccnc3"	0	""	""	2	2	393673	""
"696051"	"696051"	"Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-"	"CC(=O)Nc1sc(Br)cc1S(=O)(=O)c2ccc(Cl)cc2"	0	""	""	1	1	393675	""
"696052"	"696052"	"N-[3-(4-Chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide"	"CC(=O)Nc1sc(cc1S(=O)(=O)c2ccc(Cl)cc2)[N+](=O)[O-]"	0	""	""	2	1	393676	""
"696057"	"696057"	"4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine"	"Cc1sc(N)c(c1C)S(=O)(=O)c2ccccc2"	0	""	""	1	1	393681	""
"696073"	"696073"	"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	393684	""
"696074"	"696074"	"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	393685	""
"696075"	"696075"	"(2R)-2-[[(2S)-2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide"	"C[C@H](NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	393686	""
"696077"	"696077"	"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	6712544	""
"696078"	"696078"	"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide"	"C[C@H](NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@H](CCC(=O)NCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	393689	""
"696085"	"696085"	"pyroxamide"	"ONC(=O)CCCCCCC(=O)Nc1cccnc1"	0	""	""	2	2	4996	""
"696122"	"696122"	"Mimuscopic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4=C5C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@]5(C)CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	""	""	1	1	6712545	""
"696124"	"696124"	"1H-Indol-6-amine, 3-(chloromethyl)-2,3-dihydro- 1-[(5-me..."	"COc1ccc2oc(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	3	3	393691	""
"696125"	"696125"	"OFYWATWIUCJIGO-UHFFFAOYSA-N"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4c3cc(c5ccccc45)[N+](=O)[O-]"	0	""	""	2	2	393692	""
"696126"	"696126"	"MVIAFWFYXRNKDS-UHFFFAOYSA-N"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(COS(=O)(=O)C)c4c3cc(N)c5ccccc45"	0	""	""	2	1	393693	""
"696127"	"696127"	"[(1R)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3C[C@H](CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	1	6712547	""
"696128"	"696128"	"1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro- 3..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3C[C@@H](CCl)c4c3cc(N)c5ccccc45"	0	""	""	2	1	6712548	""
"696129"	"696129"	""	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](C)(C)Cc6ccc([N+](=O)[O-])n6C"	0	NA	NA	2	2	NA	""
"696134"	"696134"	"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate"	"CCC1OC2C3C(=C4C(OC(=O)c5ccccc5)C(C)(CC)C(C)(O)OC4=C2CC=C(C)C)OC(=O)C=C13"	0	""	""	1	1	393700	""
"696136"	"696136"	"3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid"	"COc1cc(OC)cc(Oc2nc3ccccc3nc2C(=O)O)c1"	0	""	""	1	1	393702	""
"696154"	"696154"	"Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid"	"OS(=O)(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	54608881	""
"696227"	"696227"	"6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone"	"O=C1CNc2cc(ccc2N1)N3CCOCC3"	0	""	""	1	1	393714	""
"696236"	"696236"	"[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphoryl]oxymethyl]oxolan-3-yl] benzoate"	"CC(=O)OCC1OC(OCCCOP(=O)(OCCC#N)OCC2OC(C(OC(=O)c3ccccc3)C2OC(=O)c4ccccc4)n5cnc6c(N)ncnc56)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	1	393718	""
"696237"	"696237"	""	"COC(OC)[C@@H]1OC[C@@H]([C@H]1O)n2cnc3c(N)ncnc23"	0	NA	NA	1	1	NA	""
"696242"	"696242"	"1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol"	"COC(OC)C(O)C1OC=CC1n2cnc3c(N)ncnc23"	0	""	""	1	1	393724	""
"696244"	"696244"	"1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropyrimidine-2,4-dione"	"COC(OC)C1OC(CO)C(C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	393726	""
"696248"	"696248"	"5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione"	"OCC1OCC(C1O)N2C=C(F)C(=O)NC2=O"	0	""	""	1	1	393730	""
"696251"	"696251"	"2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-phenyl-"	"COc1ncc(C#CC(=O)c2ccccc2)c(OC)n1"	0	""	""	2	2	393732	""
"696252"	"696252"	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one"	"COc1ccc(cc1)C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	393733	""
"696253"	"696253"	"2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-(3-met..."	"COc1cccc(c1)C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	393734	""
"696254"	"696254"	"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one"	"COc1ccccc1C(=O)C#Cc2cnc(OC)nc2OC"	0	""	""	2	2	393735	""
"696255"	"696255"	""	"C[C@@]1(Cl)C[C@@](C)(Br)C(C[C@@H]1Br)\C=C\Cl"	0	NA	NA	1	1	NA	""
"696257"	"696257"	"2,3-Dihydro-1,2-syn-2-[S-(L)-cysteinylsulfoxide-]-brefel..."	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](CC(=O)O1)S(=O)C[C@@H](N)C(=O)O"	0	""	""	2	2	24202584	""
"696259"	"696259"	"1H-Tetrazole-5-butanoic acid, alpha.-[[4-[[(1,4-dihydro-..."	"CC1=NC(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCc4nnn[nH]4)C(=O)O)c(F)c3)c(C)cc2N1"	0	""	""	2	2	135430970	"153537736"
"696266"	"696266"	"N-Carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide"	"COc1ccc(cc1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(=O)N"	0	""	""	1	1	393741	""
"696364"	"696364"	""	"Cc1ccc(cc1)S(=O)C[C@](NC(=O)OCc2ccccc2)(Sc3ccccc3)C(F)F"	0	NA	NA	1	1	NA	""
"696464"	"696464"	"Methyl (E)-3-[2-oxo-3-[2-(2-pyridyl)ethyl]oxazolo[4,5-b]pyridin-6-yl]prop-2-enoate"	"COC(=O)\C=C\c1cnc2N(CCc3ccccn3)C(=O)Oc2c1"	0	""	""	1	1	5470017	""
"696468"	"696468"	""	"CSc1scc2CCC\C(=N/NC(=O)N)\c12"	0	NA	NA	1	1	NA	""
"696469"	"696469"	"Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.36.24]undecan-11-yl)acetate"	"COC(=O)CN1SC2(SC13C(C)(C)C(=O)C3(C)C)C(C)(C)C(=O)C2(C)C"	0	""	""	1	1	393782	""
"696470"	"696470"	"1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione"	"CC1(C)C(=O)C(C)(C)C12SSC3(S2)C(C)(C)C(=O)C3(C)C"	0	""	""	1	1	393783	""
"696558"	"696558"	"N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-homocysteic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCS(=O)(=O)O)C(=O)O"	0	""	""	2	2	393791	""
"696559"	"696559"	"N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O"	0	""	""	2	2	6712549	""
"696562"	"696562"	"3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-su..."	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCCCS(=O)(=O)O"	0	""	""	1	1	393794	""
"696563"	"696563"	"N-(4-Amino-4-deoxy-N10-methylpteroyl)aminomethanesulfoni..."	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NCS(=O)(=O)O"	0	""	""	1	1	393795	""
"696565"	"696565"	"5-Guanidino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]pentanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CCCNC(=N)N)C(=O)O)c13"	0	""	""	1	1	393797	""
"696566"	"696566"	"5-Amino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]-5-oxo-pentanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CCC(=O)N)C(=O)O)c13"	0	""	""	1	1	393798	""
"696567"	"696567"	"2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid"	"CN1c2ccccc2C(=O)c3cccc(C(=O)NC(CS)C(=O)O)c13"	0	""	""	1	1	393799	""
"696570"	"696570"	"5-Guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid; methyl sulfate"	"C[n+]1c2ccccc2c(C(=O)NC(CCCNC(=N)N)C(=O)O)c3ccccc13"	0	""	""	1	1	393804	""
"696592"	"696592"	"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol"	"OC(c1ccc(cc1)c2ccccc2)C(F)(F)c3oc4ccccc4n3"	0	""	""	2	1	393813	""
"696640"	"696640"	"4',5'-Dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione"	"Cc1ccc2C(=O)C3(Cc2c1C)Cc4c5CCCc5ccc4C3=O"	0	""	""	1	1	393819	""
"696641"	"696641"	"5',6'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1cc2CC3(Cc4cc5CCCc5cc4C3=O)C(=O)c2cc1C"	0	""	""	1	1	393820	""
"696642"	"696642"	"6',7'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4cc5CCCc5cc4C3=O)C(=O)c2c1C"	0	""	""	1	1	393821	""
"696643"	"696643"	"6',7'-Dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione"	"Cc1ccc2CC3(Cc4ccc5CCCc5c4C3=O)C(=O)c2c1C"	0	""	""	1	1	393822	""
"696645"	"696645"	"4,4',5',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1ccc2C(=O)C3(Cc4c(C)ccc(C)c4C3=O)Cc2c1C"	0	""	""	1	1	393824	""
"696646"	"696646"	"5',6,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1cc(C)c2C(=O)C3(Cc4ccc(C)c(C)c4C3=O)Cc2c1"	0	""	""	1	1	393825	""
"696648"	"696648"	"5,5',6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione"	"Cc1cc(C)c2C(=O)C3(Cc4cc(C)c(C)cc4C3=O)Cc2c1"	0	""	""	1	1	393827	""
"696649"	"696649"	"Methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate"	"COC(=O)c1ccccc1C2CN=NC23Cc4ccc5ccccc5c4C3=O"	0	""	""	1	1	393828	""
"696652"	"696652"	"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione"	"O=C1c2ccccc2CC13Cc4ccc5ccccc5c4C3=O"	0	""	""	2	2	393831	""
"696656"	"696656"	"Methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate"	"COC(=O)\C=C\c1ccc2CC3(Cc2c1)Cc4cc5CCCc5cc4C3=O"	0	""	""	1	1	5470022	""
"696660"	"696660"	"(6R,6S)-2,4-Diamino-6-(3,4-dimethoxybenzyl)-5,6,7,8-tetr..."	"COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC"	0	""	""	2	2	484960	""
"696661"	"696661"	"(6R,6S)-2,4-Diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-t..."	"COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC"	0	""	""	2	2	484961	""
"696662"	"696662"	"(6R,6S)-2,4-Diamino-6-(2,5-dimethoxybenzyl)-5,6,7,8-tetr..."	"COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1"	0	""	""	2	2	484959	""
"696819"	"696819"	"Semaxanib"	"Cc1cc(C)c(\C=C\2/C(=O)Nc3ccccc23)[nH]1"	0	"PK:FLT3"	""	2	2	5329098	""
"696843"	"696843"	"2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid"	"NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1"	0	""	""	2	2	393882	""
"696844"	"696844"	"XLXMYMNBHSMTEB-UHFFFAOYSA-N"	"O=C(OCc1ccccc1)N2CCNCCN(CCNCC2)C(=O)OCc3ccccc3"	0	""	""	1	1	393883	""
"696847"	"696847"	"2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid"	"OC(=O)CN1CCN2CCCCCN(CCN(CC(=O)O)CC2)CC1"	0	""	""	1	1	393887	""
"696849"	"696849"	"1,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid"	"OC(=O)CN1CCN2CCCCCCCCN(CCN(CC(=O)O)CC2)CC1"	0	""	""	1	1	393889	""
"696853"	"696853"	"1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-b..."	"CC(C)(C)OC(=O)CN1CCN(CC(=O)N2CCN(CC2)C(=O)OCc3ccccc3)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N4CCN(CC4)C(=O)OCc5ccccc5)CC1"	0	""	""	2	2	393893	""
"696857"	"696857"	"2-(1,4,7-Triazonan-1-yl)acetic acid"	"OC(=O)CN1CCNCCNCC1"	0	""	""	1	1	393897	""
"696858"	"696858"	"Tert-Butyl 1,4,7-triazonan-1-ylacetate"	"CC(C)(C)OC(=O)CN1CCNCCNCC1"	0	""	""	2	1	393898	""
"696859"	"696859"	"1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane"	"CCOP(=O)(CN1CCNCCN(CP(=O)(OCC)OCC)CC1)OCC"	0	""	""	2	1	393899	""
"696860"	"696860"	"1H-1,4,7-Triazonine-1,4,7-triacetic acid, octahydro-"	"OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1"	0	""	""	3	2	124326	""
"696861"	"696861"	"[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid"	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCNCC1"	0	""	""	2	1	393900	""
"696862"	"696862"	"1H-1,4,7-Triazonine-1,4-diacetic acid, octahydro-"	"OC(=O)CN1CCNCCN(CC(=O)O)CC1"	0	""	""	2	2	393901	""
"696863"	"696863"	"NO2A(tBu)"	"CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CC1"	0	""	""	1	1	393902	""
"696864"	"696864"	"IDAAYIXNILONEM-UHFFFAOYSA-N"	"OP(=O)(O)CN1CCNCCN(CP(=O)(O)O)CC1"	0	""	""	2	2	393903	""
"696867"	"696867"	"1H-1,4,7-Triazonine-1-acetic acid, 4-[(dihydroxyphosphor..."	"OC(=O)CN1CCNCCN(CP(=O)(O)O)CC1"	0	""	""	2	2	393906	""
"696881"	"696881"	"9-Aminocaptothecin lactam"	"CC[C@@]1(O)C(=O)NCC2=C1C=C3N(Cc4cc5c(N)cccc5nc34)C2=O"	0	NA	NA	3	2	NA	""
"696884"	"696884"	"3-(2-Chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride"	"CCCCCCCCCCCCCCCCCCOc1ccc(\C=C\C2=[N+](CCCl)CCO2)cc1"	0	""	""	1	1	5470036	""
"696885"	"696885"	"1-(2-Naphthylmethyl)-4-[1-(2-naphthylmethyl)-4-piperidyl]piperidine hydrochloride"	"C(N1CCC(CC1)C2CCN(Cc3ccc4ccccc4c3)CC2)c5ccc6ccccc6c5"	0	""	""	3	2	393913	""
"696890"	"696890"	""	"N#CC1(C#N)[C@@H]2CCC=C(Sc3ccccc3)[C@H]12"	0	NA	NA	1	1	NA	""
"696891"	"696891"	"Propanedinitrile,[2,3-bis(phenylthio)-3-cyclohexen-1-yl]..."	"N#CC(C#N)[C@@H]1CCC=C(Sc2ccccc2)[C@H]1Sc3ccccc3"	0	NA	NA	2	1	NA	""
"696893"	"696893"	""	"CC(C)N1CCN(Cc2cc(C)cc(C)c2O)CCN(CC1)C(C)C"	0	NA	NA	1	1	NA	""
"696899"	"696899"	"4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)N2CCNNC2=O"	0	""	""	1	1	393927	""
"696905"	"696905"	"Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide"	"Cc1cc(c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n3ccnc3Oc4ccccc4)cc1Cl)S(=O)(=O)n5ccnc5Oc6ccccc6"	0	""	""	1	1	393933	""
"696906"	"696906"	"Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide"	"Cc1cc(c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n3ccnc3Oc4cccc(Cl)c4)cc1Cl)S(=O)(=O)n5ccnc5Oc6cccc(Cl)c6"	0	""	""	2	1	393934	""
"696907"	"696907"	"4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3cccc4cccc(N2)c34"	0	""	""	1	1	135465540	""
"696911"	"696911"	"2-Chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide"	"Sc1cc(Cl)c(cc1S(=O)(=O)NC2=NNC(=O)N2c3ccccc3)C(=O)Nc4ccc(Cl)cc4"	0	""	""	1	1	393939	""
"696916"	"696916"	"AO-267/15176074"	"CC1=NN(c2nc(N)nc(CBr)n2)C(C)(C)C1"	0	""	""	2	2	393944	""
"696921"	"696921"	"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C\c3oc(cc3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	2	2	5832532	""
"696923"	"696923"	"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile"	"CCN(CC)c1ccc(\C=C(/C#N)\c2nc(N)nc(n2)N3N=C(C)CC3(C)C)cc1"	0	""	""	2	1	6175750	""
"696990"	"696990"	"[3-(Chloromethyl)indolin-1-yl]-(5,6,7-trimethoxy-1h-indol-2-yl)methanone"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccccc34"	0	""	""	2	2	393954	""
"696991"	"696991"	"nitro-mbf-cl"	"COc1ccc2oc(cc2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	1	1	393955	""
"696992"	"696992"	"nitro mbf-so2-cl"	"COc1ccc2oc(cc2c1)S(=O)(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	2	2	393956	""
"696993"	"696993"	"nitro mmi-cl"	"COc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(cc34)[N+](=O)[O-]"	0	""	""	2	1	393957	""
"697034"	"697034"	"4-Amino-6,7-dimethyl-1,3-dioxo-2-((phenylsulfonyl)oxy)-5-isoindolinecarbonitrile"	"Cc1c(C)c2C(=O)N(OS(=O)(=O)c3ccccc3)C(=O)c2c(N)c1C#N"	0	""	""	1	1	393962	""
"697037"	"697037"	"4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile"	"Cc1c(C)c2C(=O)N(Nc3ccccc3)C(=O)c2c(N)c1C#N"	0	""	""	1	1	393965	""
"697040"	"697040"	"(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate"	"Cc1ccc(cc1)S(=O)(=O)ON2C(=O)c3c(N)c(C#N)c(c4ccccc4)c(c5ccccc5)c3C2=O"	0	""	""	1	1	393968	""
"697045"	"697045"	"4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	"Nc1c(C#N)c(c2ccccc2)c(c3ccccc3)c4C(=O)N(Nc5ccccc5)C(=O)c14"	0	""	""	1	1	393973	""
"697047"	"697047"	"4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile"	"COc1ccc(\C=N\N2C(=O)c3c(N)c(C#N)c(c4ccccc4)c(c5ccccc5)c3C2=O)cc1"	0	""	""	1	1	9578738	""
"697066"	"697066"	""	"C1CCN(C1)c2[n+]3ccccc3c4c5c6ccccn6c(N7CCCC7)[n+]5c8ccccc8n24"	0	NA	NA	1	1	NA	""
"697103"	"697103"	"Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate"	"CCOC(=O)c1nc2cc(ccc2nc1Oc3ccc(F)cc3)C(F)(F)F"	0	""	""	1	1	394000	""
"697113"	"697113"	"Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"CC(NNC(=O)c1cc[n+]([BH2+3][C-]#N)cc1)c2ccccc2F"	0	""	""	1	1	6334924	""
"697120"	"697120"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2Nc3ccccc3N=C12)C"	0	NA	NA	2	2	NA	""
"697121"	"697121"	""	"COC(=O)c1oc2c([C@H](C)CCC=C(C)C)c(O)c(O)c(C)c2n1"	0	NA	NA	1	1	NA	""
"697123"	"697123"	""	"COC(=O)c1oc2c([C@H](C)CCC=C(C)C)c(Oc3c(C)c(O)c(O)c([C@H](C)CCC=C(C)C)c3O)c(O)c(C)c2n1"	0	NA	NA	1	1	NA	""
"697124"	"697124"	""	"C[C@H](CCC=C(C)C)C1=C(N)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	NA	""
"697125"	"697125"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(N)C1=O)C"	0	NA	NA	2	2	NA	""
"697127"	"697127"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2F)C1=O)C"	0	NA	NA	2	2	NA	""
"697128"	"697128"	""	"CNC1=C(C)C(=O)C(=C([C@H](C)CCC=C(C)C)C1=O)O"	0	NA	NA	2	2	NA	""
"697129"	"697129"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2)C1=O)C"	0	NA	NA	2	1	NA	""
"697130"	"697130"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2Sc3ccccc3N=C12)C"	0	NA	NA	2	2	NA	""
"697131"	"697131"	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2F)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	2	NA	""
"697132"	"697132"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C(Nc2ccccc2Cl)C1=O)C"	0	NA	NA	2	2	NA	""
"697133"	"697133"	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	2	NA	""
"697134"	"697134"	""	"C[C@H](CCC=C(C)C)C1=CC(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	NA	""
"697135"	"697135"	""	"C[C@H](CCC=C(C)C)C1=C(O)C(=O)C(=C2NC=CN=C12)C"	0	NA	NA	2	2	NA	""
"697138"	"697138"	""	"C[C@H](CCC=C(C)C)C1=C(Nc2ccccc2Cl)C(=O)C(=C(O)C1=O)C"	0	NA	NA	2	1	NA	""
"697140"	"697140"	"5-[[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine"	"Clc1ccc(Nc2nnc(CNc3ccc(cc3)c4nnc(Nc5ccc(Cl)cc5)s4)s2)cc1"	0	""	""	1	1	394022	""
"697141"	"697141"	"5-[[4-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine"	"Clc1ccc(Nc2oc(CNc3ccc(cc3)c4oc(Nc5ccc(Cl)cc5)nn4)nn2)cc1"	0	""	""	2	1	394023	""
"697142"	"697142"	"4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione"	"Sc1nnc(CNc2ccc(cc2)c3nnc(S)n3c4ccc(Cl)cc4)n1c5ccc(Cl)cc5"	0	""	""	1	1	3005398	""
"697145"	"697145"	"5-[[4-[4-Amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-methyl-1,2,4-triazole-3,4-diamine"	"CNc1nnc(CNc2ccc(cc2)c3nnc(NC)n3N)n1N"	0	""	""	1	1	394027	""
"697146"	"697146"	"3-[2-[4-[2-Oxo-2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)ethoxy]phenoxy]acetyl]-2-phenylimino-1,3-thiazolidin-4-one"	"O=C(COc1ccc(OCC(=O)N2C(=O)CS/C/2=N\c3ccccc3)cc1)N4C(=O)CS/C/4=N\c5ccccc5"	0	""	""	1	1	394028	""
"697150"	"697150"	"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one"	"COc1ccc(cc1)N2CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CN(C4=S)c5ccc(OC)cc5)cc3)C2=S"	0	""	""	1	1	394032	""
"697151"	"697151"	"1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-oxoethoxy]phenoxy]acetyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione"	"O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(C2=S)c3ccccc3)cc1)N4C(=O)CC(=O)N(C4=S)c5ccccc5"	0	""	""	1	1	394033	""
"697152"	"697152"	"1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"Clc1ccc(cc1)N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(C4=S)c5ccc(Cl)cc5)cc3)C2=S"	0	""	""	1	1	394034	""
"697153"	"697153"	"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"COc1ccc(cc1)N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(C4=S)c5ccc(OC)cc5)cc3)C2=S"	0	""	""	1	1	394035	""
"697155"	"697155"	"2-[(4-chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole"	"Clc1ccc(OCc2oc(CCCCCCCCc3oc(COc4ccc(Cl)cc4)nn3)nn2)cc1"	0	""	""	1	1	394037	""
"697157"	"697157"	"2-[[5-[8-[5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol"	"Oc1c(OCc2oc(CCCCCCCCc3oc(COc4ccc5ccccc5c4O)nn3)nn2)ccc6ccccc16"	0	""	""	1	1	394039	""
"697165"	"697165"	"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-(ph..."	"C(CCCCc1nnc(COc2ccccc2)n1Nc3ccccc3)CCCc4nnc(COc5ccccc5)n4Nc6ccccc6"	0	""	""	5	3	394047	""
"697166"	"697166"	"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4..."	"Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)n3Nc5ccccc5)n2Nc6ccccc6)cc1"	0	""	""	2	2	394048	""
"697167"	"697167"	"2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol"	"Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)n3Nc6ccccc6)n2Nc7ccccc7)ccc8ccccc18"	0	""	""	2	2	394049	""
"697168"	"697168"	"1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol"	"Oc1ccc2ccccc2c1OCc3nnc(CCCCCCCCc4nnc(COc5c(O)ccc6ccccc56)n4Nc7ccccc7)n3Nc8ccccc8"	0	""	""	2	2	394050	""
"697169"	"697169"	"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2..."	"Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)n3Nc5ccccc5)n2Nc6ccccc6)c(Cl)c1"	0	""	""	2	2	394051	""
"697177"	"697177"	"3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione"	"Clc1ccc(NCN2N=C(CCCCCCCCC3=NN(CNc4ccc(Cl)cc4)C(=S)O3)OC2=S)cc1"	0	""	""	1	1	394059	""
"697187"	"697187"	"2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole"	"C(CCCCc1oc(nn1)c2ccccc2)CCCc3oc(nn3)c4ccccc4"	0	""	""	1	1	394069	""
"697189"	"697189"	"NCIChal_000048"	"Oc1ccc2ccccc2c1c3oc(CCCCCCCCc4oc(nn4)c5c(O)ccc6ccccc56)nn3"	0	""	""	3	2	394071	""
"697192"	"697192"	"Decanediamide, N,N'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-..."	"Oc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(O)c(O)c4)\C3=O)c5c(O)ccc6ccccc56)C2=O)c7c(O)ccc8ccccc78)cc1O"	0	""	""	2	2	5470052	""
"697193"	"697193"	""	"Oc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(O)c(O)c4)\C3=O)c5ccc(Cl)cc5)C2=O)c6ccc(Cl)cc6)cc1O"	0	NA	NA	2	2	NA	""
"697194"	"697194"	"Decanediamide, N,N'-bis[2-(2-hydroxy-1-naphthalenyl)- 5-..."	"COc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(OC)c(OC)c4)\C3=O)c5c(O)ccc6ccccc56)C2=O)c7c(O)ccc8ccccc78)cc1OC"	0	NA	NA	2	2	NA	""
"697196"	"697196"	""	"COc1ccc(\C=C/2\SC(N(NC(=O)CCCCCCCCC(=O)NN3C(S\C(=C\c4ccc(OC)c(OC)c4)\C3=O)c5ccccc5)C2=O)c6ccccc6)cc1OC"	0	NA	NA	1	1	NA	""
"697219"	"697219"	"Methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate"	"CO\C(=N\CCC1=CCCCC1)\C"	0	""	""	1	1	394081	""
"697222"	"697222"	"2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile"	"N#CC(Cc1ccccc1)N(CCC2=CCCCC2)C(c3ccccc3)c4ccccc4"	0	""	""	1	1	394084	""
"697234"	"697234"	"2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine"	"Cc1ccc(cc1)S(=O)(=O)N2CC(CCN)c3ccccc23"	0	""	""	3	2	394096	""
"697235"	"697235"	"Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride"	"NCCC1CN(C(=O)OCc2ccccc2)c3ccccc13"	0	""	""	2	2	394097	""
"697241"	"697241"	"2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine"	"COc1ccc(CN(CCc2c[nH]c3ccccc23)Cc4ccc(OC)cc4)cc1"	0	""	""	3	2	394104	""
"697250"	"697250"	"(1S,4Ar,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfony"	"C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CCC3CN(c4ccc(Cc5ccc6N(CC(CCN7C[C@@H]8[C@H](C)OC(=O)C[C@H]8CC7=O)c6c5)S(=O)(=O)C(F)(F)F)cc34)S(=O)(=O)C(F)(F)F)C[C@H]12"	0	""	""	1	1	394113	""
"697264"	"697264"	"(1R,2S,4S,8R,9S,10R,14R,15S)-9-Hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one"	"C[C@@H]1CCC[C@@](C)(I)[C@@H]2CC[C@@](C)(O2)[C@@H](I)C[C@@H]3[C@@H](OC(=O)C3=C)[C@H]1O"	0	""	""	2	2	6712557	""
"697265"	"697265"	"(3As,5S,6R,9E,13E,15aS)-6-hydroxy-5-iodo-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one"	"C\C\1=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]2[C@H](C\C(=C\CC1)\C)OC(=O)C2=C"	0	""	""	2	1	5470068	""
"697268"	"697268"	"(1R,2S,4S,8S,10E,14R,15S)-2,15-Diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one"	"C\C\1=C/CC[C@@]2(C)O[C@](C)(CC[C@@H]2I)[C@@H](I)C[C@@H]3[C@H](C1)OC(=O)C3=C"	0	""	""	2	2	54608971	""
"697270"	"697270"	"11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one"	"CCCCCCCc1cc2c3ccccc3nc4C(=O)c5cccnc5c(n1)c24"	0	""	""	2	2	54608959	""
"697274"	"697274"	""	"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C"	0	NA	NA	2	2	NA	""
"697275"	"697275"	"Neuro_000491"	"C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OCC(O)C(O)C%10O)C(O)C7OC%11OC(C)C(O)C(O)C%11O"	0	""	""	2	1	496677	""
"697286"	"697286"	"LY-294002"	"O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	1	1	3973	"154447366"
"697386"	"697386"	"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine"	"COc1ccc(cc1OC)C2(CC(C)C)CCN(C2)S(=O)(=O)c3ccc(C)cc3"	0	""	""	1	1	394152	""
"697387"	"697387"	""	"ClC(Cl)(Cl)COC(=O)N1CC[C@H](C1)C2CCCCC2"	0	NA	NA	1	1	NA	""
"697388"	"697388"	""	"ClC(Cl)(Cl)COC(=O)N1CC[C@@H](C1)C2CCCCC2"	0	NA	NA	1	1	NA	""
"697392"	"697392"	""	"COc1ccc(cc1OC)\C(=C\[N+](=O)[O-])\CCC2(OCC(C)(C)CO2)C=C"	0	NA	NA	1	1	NA	""
"697393"	"697393"	""	"COc1ccc(cc1OC)[C@]23CCC4(OCC(C)(C)CO4)[C@H]5CON(O[C@@H](C2)O[C@@H]6CCCCC6C(C)(C)c7ccccc7)[C@H]35"	0	NA	NA	1	1	NA	""
"697394"	"697394"	""	"COc1ccc(cc1OC)[C@]2(CCC3(OCC(C)(C)CO3)C=C)C[C@@H](O[C@@H]4CCCC[C@H]4C(C)(C)c5ccccc5)O[N+](=C2)[O-]"	0	NA	NA	2	1	NA	""
"697443"	"697443"	"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride"	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)\C=C\c3ccccc3)cc2)\C1=O"	0	""	""	2	2	5351440	""
"697444"	"697444"	"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate;hydrochloride"	"CN(C)CC1CCC\C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)\C1=O"	0	""	""	2	2	5470076	""
"697452"	"697452"	"Andrastin A"	"COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)C(=C[C@@H]3[C@]2(C)CC[C@@H]4C(C)(C)[C@H](CC[C@@]34C=O)OC(=O)C)C"	0	NA	NA	1	1	NA	"174232429"
"697453"	"697453"	"(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione"	"C[C@H]1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@H]5C(=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)C)OC(=O)[C@H](CC(=O)C=C(C)C)[C@@H]14"	0	""	""	2	2	394185	""
"697461"	"697461"	"Ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate"	"CCCCNC(=O)Nc1c(C(=O)N)c2CCCCCn2c1C(=O)OCC"	0	""	""	1	1	394192	""
"697466"	"697466"	"10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione"	"N=C1N(C(=O)N2C(=S)N(C(=O)c3c2c1c4CCCCCn34)c5ccccc5)c6ccccc6"	0	""	""	2	1	394197	""
"697467"	"697467"	"N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-N-...."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)N[C@@H](CCC(=O)NCCCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	NA	NA	1	1	NA	""
"697468"	"697468"	"N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.delta..."	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	489622	""
"697469"	"697469"	"N-acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N- ..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)NCCCCNc3ccc(c4Nc5ccccc5C(=O)c34)[N+](=O)[O-])C(=O)N"	0	NA	NA	1	1	NA	""
"697471"	"697471"	"N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-[N'..."	"CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N3CCCC3C(=O)N[C@@H](CCC(=O)NCCNCCNc4c5ccccc5nc6cccc(c46)[N+](=O)[O-])C(=O)N"	0	NA	NA	3	2	NA	""
"697472"	"697472"	"N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-am..."	"CC(C)C(NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)N[C@@H](CCC(=O)NCCNCCNc3c4ccccc4nc5cccc(c35)[N+](=O)[O-])C(=O)N"	0	""	""	1	1	6712568	""
"697473"	"697473"	""	"O=C1C\C(=C/[C@H]2SSC=C[C@@]23CC(=O)C=C3)\C=C1"	0	NA	NA	2	1	NA	""
"697487"	"697487"	"(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene"	"[O-][N+](=O)c1ccc(\C=N\CC2CCCN3CCCCC23)cc1"	0	""	""	1	1	394205	""
"697488"	"697488"	"4-Nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol"	"Oc1ccc(cc1\C=N\c2nc(cs2)c3ccccc3)[N+](=O)[O-]"	0	""	""	2	2	135505166	""
"697493"	"697493"	"Methyl 2-[[1-methoxy-3-[4-methoxy-3-[4-[3-methoxy-2-[(4-methoxycarbonylbenzoyl)amino]-3-oxopropyl]phenoxy]phenyl]-1-oxopropan-2-yl]carbamoyl]benzoate"	"COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3C(=O)OC)C(=O)OC)ccc2OC)cc1)NC(=O)c4ccc(cc4)C(=O)OC"	0	""	""	1	1	394211	""
"697494"	"697494"	"[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate"	"COc1ccc(CC(COS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c3ccc(C)cc3)cc1"	0	""	""	2	2	394212	""
"697497"	"697497"	"Methyl 2-benzamido-3-[4-[5-(2-benzamido-3-methoxy-3-oxo-propyl)-2-methoxy-phenoxy]phenyl]propanoate"	"COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3)C(=O)OC)ccc2OC)cc1)NC(=O)c4ccccc4"	0	""	""	2	2	394215	""
"697504"	"697504"	"Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate"	"COC(=O)C1=C(C2OC1C3C2C4(C)C(=C(C)C3(C)S4=O)C)C(=O)OC"	0	""	""	2	2	394217	""
"697524"	"697524"	"(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	"NC1C\C(=N/O)\c2c(I)sc(I)c12"	0	""	""	2	2	9572057	""
"697525"	"697525"	"(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride"	"NC1C\C(=N/O)\c2c(Cl)sc(Cl)c12"	0	""	""	1	1	9572058	""
"697529"	"697529"	"Taylor D"	"C[C@@H]1[C@@H]2CCC(=O)[C@]3(C)CCCC(C)(C)[C@H]3C[C@@H](O)C(=C2)C1=O"	0	""	""	1	1	394229	""
"697530"	"697530"	"Taylor E"	"CC1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)C3=C[C@@H](C[C@H](O)C2=O)C(=C)C3=O"	0	""	""	1	1	394230	""
"697535"	"697535"	"N-[1-(Chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide"	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)(C)c5ccccc5[N+](=O)[O-])c6ccccc46"	0	""	""	2	2	394231	""
"697536"	"697536"	"N-[2-[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide"	"[O-][N+](=O)c1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)c6oc7ccccc7c6)ccc5[nH]4"	0	""	""	3	2	5470090	""
"697537"	"697537"	"N-[2-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide"	"Nc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)c6oc7ccccc7c6)ccc5[nH]4"	0	""	""	3	1	394233	""
"697539"	"697539"	"6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbony..."	"Nc1ccc2C(CCl)CN(C(=O)c3cc4cc(NC(=O)c5oc6ccccc6c5)ccc4[nH]3)c2c1"	0	""	""	2	2	394235	""
"697540"	"697540"	"Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate"	"Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc7c(ncn7C)[N+](=O)[O-])c3nc12"	0	""	""	2	2	394236	""
"697568"	"697568"	"NCIChal_000050"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3ccccc3)n1c4ccccc4"	0	""	""	2	2	394239	""
"697569"	"697569"	"NCIMech_000137"	"CCOC(=O)c1cn2c3ccc(OC)cc3sc2n1"	0	""	""	2	2	394240	""
"697576"	"697576"	""	"[Na+].NC(=NC(P(=O)(O)O)P(=O)(O)O)N"	0	NA	NA	1	1	NA	""
"697581"	"697581"	"[[(Z)-[3-Allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid"	"OP(=O)(O)C(\N=C\1/SC=C(N1CC=C)c2ccc(cc2)[N+](=O)[O-])P(=O)(O)O"	0	""	""	1	1	9572060	""
"697583"	"697583"	"[[(Z)-(3-Ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid"	"CCN1\C(=N\C(P(=O)(O)O)P(=O)(O)O)\SC=C1c2ccccc2"	0	""	""	1	1	9572062	""
"697584"	"697584"	"[[(Z)-[3-Ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid"	"CCN1\C(=N\C(P(=O)(O)O)P(=O)(O)O)\SC=C1c2ccc(C)cc2"	0	""	""	1	1	9572063	""
"697585"	"697585"	""	"[Na+].CN1C(=CS/C/1=N\C(P(=O)(O)O)P(=O)(O)O)C"	0	NA	NA	1	1	NA	""
"697593"	"697593"	""	"CC1=CN(C2CC(C(CO)O2)[N+](=NNc3ccc(cc3)[N+](=O)[O-])[O-])C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"697646"	"697646"	""	"O=C1[C@@H]2CN3CN(N=C(c4ccccc4)[C@]3([C@@H]2C(=O)N1c5ccccc5)c6ccccc6)c7ccccc7"	0	NA	NA	2	2	NA	""
"697653"	"697653"	""	"CC1(C)[C@@H]2C[C@H]1c3cnc(cc3[C@H]2C(O)[C@H]4[C@@H]5C[C@H](c6cnc(cc46)c7ccccn7)C5(C)C)c8ccccn8"	0	NA	NA	3	2	NA	""
"697658"	"697658"	"(2E)-2-(Phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide"	"CCCNC(=O)N1CC(CN2CCN(CC2)c3ccccc3)O/C/1=N/C(=O)Nc4ccccc4"	0	""	""	1	1	5898191	""
"697665"	"697665"	"AHLDICFOVWNWRW-UHFFFAOYSA-N"	"CN1CCN(CC1)c2cc3[nH]c(nc3cc2F)c4ccc(Cl)cc4"	0	""	""	2	1	394298	""
"697670"	"697670"	"2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one"	"CC(C)(C)C1=NC(=P(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O1"	0	""	""	1	1	394303	""
"697672"	"697672"	"Dimethyl 2-(5-(1,3-dithiolan-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate"	"COC(=O)C1=C(SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1)C(=O)OC"	0	""	""	1	1	394305	""
"697677"	"697677"	""	"CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)\C3NC(Cc4c[nH]c5ccccc45)C(=O)O3)cc1"	0	NA	NA	2	2	NA	""
"697678"	"697678"	"2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone"	"CCC1=NC(=N/C/1=C\c2ccccc2O)N\N=C/c3ccccc3O"	0	""	""	2	2	135484733	""
"697679"	"697679"	"2-[(Z)-[5-Ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol"	"CCC1=NC(=N/C/1=C\c2ccccc2O)N\N=C\c3occc3"	0	""	""	1	1	135484734	""
"697685"	"697685"	""	"CC(=O)O[C@H]1C#C\C=C/C#CC[C@H]2[C@H]1NC2=O"	0	NA	NA	3	3	NA	""
"697686"	"697686"	""	"CC(=O)O[C@H]1C#C\C=C/C#CC[C@H]2[C@H]1N(C(=O)OC(C)(C)C)C2=O"	0	NA	NA	3	3	NA	""
"697696"	"697696"	"tris(2-furyl)-oxo-[?]dicarbonitrile"	"O=C1N2C(NC(N=C2C3(C#N)C(NC4=C(CCCC4)C13C#N)c5occc5)c6occc6)c7occc7"	0	""	""	1	1	394327	""
"697712"	"697712"	"2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine"	"CN(C)CCn1nc(N)c2nc3cc(ccc3nc12)C(F)(F)F"	0	""	""	1	1	394343	""
"697714"	"697714"	"3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3nc4ccccc4nc3C#N"	0	""	""	1	1	394344	""
"697715"	"697715"	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile"	"Cc1cc2c(cc1C)[n+]([O-])c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])c(C#N)[n+]2[O-]"	0	""	""	1	1	394345	""
"697716"	"697716"	"6-Methyl-2-[(2,4-dinitrophenyl)thio]-4-(1H)-pyrimidinone"	"CC1=CC(=O)N=C(N1)Sc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	2	2	135454603	""
"697717"	"697717"	"(+/-)-rhopaloic acid"	"CC(=CCC\C(=C\CC\C(=C\CCC1CCC(OC1)C(=C)C(=O)O)\C)\C)C"	0	""	""	1	1	6374719	""
"697726"	"697726"	"RH1"	"CC1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO"	0	"PK:ROS1"	"Clinical trial"	7	6	394347	"221635423"
"697730"	"697730"	"STL434863"	"OCC1OC(C(O)C1(O)C#C)N2C=CC(=O)NC2=O"	0	""	""	2	2	394348	""
"697747"	"697747"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-methox..."	"COc1cccc(c1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	54608964	""
"697748"	"697748"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrop..."	"[O-][N+](=O)c1ccc(cc1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	54608965	""
"697764"	"697764"	""	"Clc1ccc2C(=O)N3CCC[C@H]3C(=O)Nc2c1"	0	NA	NA	1	1	NA	""
"697766"	"697766"	""	"Nc1ccc2NC(=O)[C@@H]3CCCN3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"697768"	"697768"	""	"COCO[C@@H]1C[C@@H]2N(C1)C(=O)c3ccccc3NC2=O"	0	NA	NA	1	1	NA	""
"697769"	"697769"	""	"COCN1C(=O)[C@@H]2CCCN2C(=O)c3cc(ccc13)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"697770"	"697770"	""	"COCN1C(=O)[C@@H]2CCCN2C(=O)c3cc(N)ccc13"	0	NA	NA	1	1	NA	""
"697776"	"697776"	""	"COCN1C(=O)[C@@H]2C[C@H](CN2C(=O)c3ccccc13)OC\C=C\CBr"	0	NA	NA	1	1	NA	""
"697777"	"697777"	"Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(C)CNc1c23"	0	""	""	1	1	394377	""
"697782"	"697782"	"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4ccccc34"	0	""	""	2	2	394382	""
"697783"	"697783"	"7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc2Sc3nc4ccccc4n3C(O)c2c(n1)N(C)C"	0	""	""	2	1	394383	""
"697784"	"697784"	"Neuro_000494"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4cc5OCCOc5cc34"	0	""	""	2	2	394384	""
"697785"	"697785"	"7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol"	"COc1cc2nc3Sc4nc(SC)nc(Cl)c4C(O)n3c2cc1OC"	0	""	""	3	1	394385	""
"697786"	"697786"	"18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol"	"CSc1nc(Cl)c2C(O)n3c(Sc2n1)nc4cc5OCOc5cc34"	0	""	""	3	2	394386	""
"697796"	"697796"	"Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N"	0	""	""	1	1	394396	""
"697855"	"697855"	"Nitazoxanide"	"CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	"FDA approved"	2	1	NA	""
"697856"	"697856"	"Tizoxanide"	"Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	""	2	1	394397	""
"697859"	"697859"	"5-(1-Adamantyl)-2-benzyloxy-1H-benzimidazole"	"C(Oc1nc2cc(ccc2[nH]1)C34CC5CC(CC(C5)C3)C4)c6ccccc6"	0	""	""	2	2	394400	""
"697861"	"697861"	"5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole"	"Clc1ccccc1c2nc3cc(ccc3[nH]2)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	394402	""
"697862"	"697862"	"5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole"	"Clc1ccc(cc1)c2nc3cc(ccc3[nH]2)C45CC6CC(CC(C6)C4)C5"	0	""	""	3	2	394403	""
"697865"	"697865"	""	"CC1=CN(CC2=NCC(C)(C)N2)C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"697869"	"697869"	""	"CCC1CCN=C(CN2C=C(C)C(=O)NC2=O)N1"	0	NA	NA	1	1	NA	""
"697872"	"697872"	""	"CCOC(=O)C1(C\C=C/CBr)CCCCCCCCCCC1=O"	0	NA	NA	2	2	NA	""
"697875"	"697875"	"Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate"	"CCOC(=O)C1(C\C=C\CBr)Cc2ccccc2C1=O"	0	""	""	2	2	5351442	""
"697882"	"697882"	"ALBB-006676"	"Nc1nonc1c2no[n+]([O-])c2c3nonc3N"	0	""	""	2	1	394430	""
"697884"	"697884"	"3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol"	"Nc1nonc1c2onc(c3nonc3N)[n+]2[O-]"	0	""	""	1	1	394432	""
"697886"	"697886"	"17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethyla..."	"CO[C@@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)C1OC(=O)CCCN(C)C)\C)\C)C2=O"	0	""	""	2	2	5470131	""
"697887"	"697887"	"XK-469"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	"TOP2"	"Clinical trial"	4	1	NA	"157435104"
"697912"	"697912"	"5-Fluoro deoxy uridine 10mer"	"OCC1OC(CC1OP(=O)(O)OCC2OC(CC2OP(=O)(O)OCC3OC(CC3OP(=O)(O)OCC4OC(CC4OP(=O)(O)OCC5OC(CC5OP(=O)(O)OCC6OC(CC6OP(=O)(O)OCC7OC(CC7OP(=O)(O)OCC8OC(CC8OP(=O)(O)OCC9OC(CC9OP(=O)(O)OCC%10OC(CC%10O)N%11C=C(F)C(=O)NC%11=O)N%12C=C(F)C(=O)NC%12=O)N%13C=C(F)C(=O)NC%13=O)N%14C=C(F)C(=O)NC%14=O)N%15C=C(F)C(=O)NC%15=O)N%16C=C(F)C(=O)NC%16=O)N%17C=C(F)C(=O)NC%17=O)N%18C=C(F)C(=O)NC%18=O)N%19C=C(F)C(=O)NC%19=O)N%20C=C(F)C(=O)NC%20=O"	0	"Ds|AM"	"Clinical trial"	2	2	16130072	""
"697923"	"697923"	"2-Nitro-5-p-toluenesulfonylfuran"	"Cc1ccc(cc1)S(=O)(=O)c2oc(cc2)[N+](=O)[O-]"	0	""	""	2	2	394449	"343351677"
"697927"	"697927"	"4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine"	"COc1cnnc2c(C)c(nn12)c3ccccc3"	0	""	""	2	1	394453	""
"697929"	"697929"	"7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene"	"C1C2C3C(C=CC2=NN1c4ccccc4)C56C=CC7C(C=C5)C7C36"	0	""	""	2	1	394455	""
"697932"	"697932"	"Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate"	"CCSCc1ccccc1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)CCC(=C)C(=O)OC"	0	""	""	3	2	394458	""
"697938"	"697938"	"Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate"	"COC(=O)C(=C)CC(=O)Nc1oc(cc1)C(=O)OC"	0	""	""	1	1	394465	""
"697939"	"697939"	"Methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate"	"COC(=O)C1\C=C/N(C(c2c(C=1c3ccccc3)cccc2)=O)C4CCCCC4"	0	""	""	1	1	5470138	""
"697941"	"697941"	"Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate"	"COC(=O)C1=CC2N(C3CCCCC3)C1(c4ccccc4)c5ccccc5C2=O"	0	""	""	1	1	394468	""
"697942"	"697942"	"Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)C2(N(C3CCCCC3)C1C(=O)c4ccccc24)c5ccccc5"	0	""	""	2	1	394469	""
"697946"	"697946"	"Propanedioic acid, 2-(2-bromo-2-propenyl)-2-[2-(phenylsu..."	"COC(=O)C(CC(=C)Br)(CC(=C=C)S(=O)(=O)c1ccccc1)C(=O)OC"	0	""	""	2	2	394473	""
"697979"	"697979"	"Denileukin Diftitox Ontak"	""	0	"IL"	"FDA approved"	2	2	NA	""
"697989"	"697989"	"Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O"	"CC(C)c1cc(C(C)C)c(OC(=O)C)c(c1)\C\2=[O]\[Cu+2]34\[O]=C(\c5cc(cc(C(C)C)c5OC(=O)C)C(C)C)/[O-][Cu+2](\[O]=C(\c6cc(cc(C(C)C)c6OC(=O)C)C(C)C)/[O-]3)(\[O]=C(/c7cc(cc(C(C)C)c7OC(=O)C)C(C)C)\[O-]4)[O-]2"	0	""	""	1	1	394476	""
"698026"	"698026"	"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-amine"	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3ccc(Cl)cc3Cl"	0	""	""	2	1	6036179	""
"698027"	"698027"	"1-[(2Z)-2-(3-Amino-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-(4-chlorophenyl)sulfanylethyl]naphthalen-2-ol"	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3c(O)ccc4ccccc34"	0	""	""	2	1	5797894	""
"698028"	"698028"	""	"CC1=NN=C(N)N/C/1=C\C(Sc2ccc(Cl)cc2)c3cccs3"	0	NA	NA	1	1	NA	""
"698029"	"698029"	"N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea"	"COc1cc(\C=C\c2nc(NC(=S)Nc3ccccc3)nnc2C)cc(OC)c1OC"	0	""	""	1	1	6418039	""
"698031"	"698031"	"1-[5-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one"	"CN(C)c1ccc(\C=C\c2nc(nnc2C)N3C(=CC(=O)N(C3=S)c4ccccc4)O)cc1"	0	""	""	2	2	6412312	""
"698033"	"698033"	""	"CN(C)c1ccc(\C=C\c2nc(N)nnc2C)cc1"	0	NA	NA	2	2	NA	""
"698034"	"698034"	""	"Cc1nnc(N)nc1\C=C\c2cccs2"	0	NA	NA	1	1	NA	""
"698035"	"698035"	"6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine"	"COc1cc(\C=C\c2nc(N)nnc2C)cc(OC)c1OC"	0	""	""	2	2	6413214	""
"698037"	"698037"	"Pemetrexed"	"NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C(=O)N1"	0	"Df|AM|GARTF|DHFR|TYMS"	"FDA approved"	2	2	135410875	"137281233"
"698045"	"698045"	"3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid"	"OC(=O)Cc1ccc(Nc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F)cc1"	0	""	""	1	1	394500	""
"698046"	"698046"	"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate"	"CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1"	0	""	""	1	1	394501	""
"698048"	"698048"	"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline"	"COc1cc(cc(OC)c1OC)N(CC#C)Cc2ccc3nc(OC)c(OC)nc3c2"	0	""	""	3	2	394503	""
"698051"	"698051"	"3-[(4-Chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2\N=C\c3occc3)cc1"	0	""	""	1	1	9556342	""
"698052"	"698052"	"4-[(E)-Furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"O=C1NN=C(N1\N=C\c2occc2)c3ccccc3"	0	""	""	1	1	9556343	""
"698057"	"698057"	"3-Methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"CC1=NNC(=O)N1\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	2	1	9556348	""
"698058"	"698058"	"4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2c3ccccc3)cc1"	0	""	""	2	2	9556349	""
"698064"	"698064"	"3-Benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cccc(\C=N\N2C(=O)NN=C2Cc3ccccc3)c1"	0	""	""	2	1	9556355	""
"698065"	"698065"	"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cccc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)c1"	0	""	""	3	1	9556356	""
"698067"	"698067"	"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2C)c(OC)c1"	0	""	""	1	1	9556358	""
"698068"	"698068"	"3-Methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=NNC2=O)C)cc(OC)c1OC"	0	""	""	1	1	9556359	""
"698069"	"698069"	"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)cc(OC)c1OC"	0	""	""	1	1	9556360	""
"698076"	"698076"	"3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate"	"CCCCC1=C(N(C)C)C(=C(OC1=O)c2cn(C)c3ccccc23)OC(=O)C"	0	""	""	1	1	394531	""
"698078"	"698078"	"2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one"	"CCCCC1=C(C(=O)N2CCOCC2)C3(OCCO3)C1=O"	0	""	""	1	1	394533	""
"698087"	"698087"	"3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione"	"CCN(CC)C1=C(N(CC)CC)C(=O)C1=O"	0	""	""	3	3	394542	""
"698088"	"698088"	"2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone"	"O=C1C=C(C(=O)c2ccccc12)C3=C(C(=O)c4ccccc4C3=O)C5=CC(=O)c6ccccc6C5=O"	0	""	""	3	2	394543	""
"698090"	"698090"	"2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone"	"CC1=C(C)C(=O)C(=CC1=O)C2=C(C(=O)C(=C(C)C2=O)C)C3=CC(=O)C(=C(C)C3=O)C"	0	""	""	2	2	394545	""
"698092"	"698092"	"1,4-Naphthalenedione, 2,3-bis(4,5-dimethyl-3,6-dioxo-1,4..."	"CC1=C(C)C(=O)C(=CC1=O)C2=C(C(=O)c3ccccc3C2=O)C4=CC(=O)C(=C(C)C4=O)C"	0	""	""	4	4	394547	""
"698093"	"698093"	"2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione"	"COc1cc(C2=C(C(=O)c3ccccc3C2=O)c4cc(OC)c5ccccc5c4OC)c(OC)c6ccccc16"	0	""	""	1	1	394548	""
"698095"	"698095"	"9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one"	"CCCCC1C=CN2C(=O)Oc3c(OC(C)C)c(C)c(O)c1c23"	0	""	""	2	2	394550	""
"698104"	"698104"	"VRBJCJNVLXEKKP-MDZDMXLPSA-N"	"COc1cccc(\C=C\C(=O)N2CC(CCl)c3c2cc(N)c4ccccc34)c1"	0	""	""	2	1	5470144	""
"698126"	"698126"	"1,2,5,6-Tetrathiocine"	"S1S\C=C/SS\C=C/1"	0	""	""	1	1	5470145	""
"698131"	"698131"	"5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide"	"NS(=O)(=O)c1nn2c(Br)c(nc2s1)c3ccccc3"	0	""	""	3	2	394566	""
"698132"	"698132"	"Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate"	"CCOC(=O)Cc1nc2sc(nn2c1Br)S(=O)(=O)N"	0	""	""	1	1	394567	""
"698141"	"698141"	"Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-"	"CC(C)(C)c1cc(c(P=C(Cl)Cl)c(c1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	394572	""
"698148"	"698148"	"5-Tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide"	"CC(C)(C)c1ccc(OCCOc2ccc(cc2NC=O)C(C)(C)C)c(NC=O)c1"	0	""	""	3	2	394579	""
"698163"	"698163"	"N-(2-Bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide"	"CSC1=C(CCC(C1)C(C)(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc2Br"	0	""	""	1	1	394583	""
"698181"	"698181"	"[2-[2-[1-[Tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)cyclohex-2-en-1-yl]ethyl]phenyl] trifluoromethanesulfonate"	"CC(C)(C)[Si](C)(C)OC1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc3ccccc3"	0	""	""	2	1	394601	""
"698187"	"698187"	""	"C[C@H](Br)[C@@H]1CC[C@@H]2N(CCc3c2n(c4ccccc34)S(=O)(=O)c5ccc(C)cc5)C1"	0	NA	NA	1	1	NA	""
"698199"	"698199"	""	"C[C@H](N1CO[C@]2(CCC[C@@H]12)C#Cc3ccc4OCOc4c3)c5ccccc5"	0	NA	NA	1	1	NA	""
"698206"	"698206"	"1,3-Dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one"	"CC(C)[Si](OC\C(=C\COC(C)(C)C)\[C@H]1CC=C(C1)C(=O)c2ccccc2N3CN(C)C(=O)N(C)C3)(C(C)C)C(C)C"	0	""	""	2	1	5470160	""
"698211"	"698211"	""	"CC(C)(C)O\C=C\1/C2C[C@@H](CC2OC1=O)O[Si](C)(C)C(C)(C)C"	0	NA	NA	1	1	NA	""
"698216"	"698216"	"XK-469S"	"CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O"	0	NA	NA	1	1	NA	"157542922"
"698243"	"698243"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrop..."	"[O-][N+](=O)c1ccccc1c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	54608997	""
"698244"	"698244"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-methyl..."	"Cc1ccc(cc1)c2cc3c4ccccc4nc5C(=O)c6cccnc6c(n2)c35"	0	""	""	2	2	54608995	""
"698246"	"698246"	"(3As,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione"	"C[C@]12CCC(=O)[C@@H](CCC3=CC(=O)C=CC3=O)[C@@H]1CCC2=O"	0	""	""	2	2	394644	""
"698247"	"698247"	"[(8S,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate"	"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34OC(=O)C(F)(F)F)[C@@H]1CCC2=O"	0	""	""	2	1	394645	""
"698248"	"698248"	"protogenkwanone"	"COc1cc(O)c2C(=O)C=C(Oc2c1)C3(O)C=CC(=O)C=C3"	0	""	""	2	2	394646	""
"698249"	"698249"	"4-Ethyl-4-hydroxy-cyclohexa-2,5-dien-1-one"	"CCC1(O)C=CC(=O)C=C1"	0	""	""	2	1	394647	""
"698250"	"698250"	"4,4'-Dimethoxy-2,5-dienone"	"COC1(OC)C=CC(=O)C=C1"	0	""	""	2	2	394648	""
"698252"	"698252"	"4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one"	"CC(=O)OC1(C)C=CC(=O)C=C1"	0	""	""	1	1	394650	""
"698253"	"698253"	"2,5-Cyclohexadien-1-one, 4-hydroxy-4-(3-hydroxy-1-propyn..."	"OCC#CC1(O)C=CC(=O)C=C1"	0	""	""	2	2	394651	""
"698254"	"698254"	"5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol"	"Cn1c(ccc1c2ccc(C=O)[se]2)c3ccc[se]3"	0	""	""	2	2	394652	""
"698255"	"698255"	"5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol"	"Cn1c(ccc1c2ccc(CO)[se]2)c3ccc[se]3"	0	""	""	2	2	394653	""
"698259"	"698259"	"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccccc3"	0	""	""	1	1	5470169	""
"698260"	"698260"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccccc4"	0	""	""	1	1	5470170	""
"698261"	"698261"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccccc4"	0	""	""	1	1	5470171	""
"698262"	"698262"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccc(Cl)cc4"	0	""	""	1	1	5470172	""
"698263"	"698263"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccc(Cl)cc4"	0	""	""	3	2	5470173	""
"698266"	"698266"	"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccccc3)\c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	5470176	""
"698269"	"698269"	"4-[(E)-(9-Ethylcarbazol-3-yl)azo]benzonitrile"	"CCn1c2ccccc2c3cc(ccc13)N=Nc4ccc(cc4)C#N"	0	""	""	1	1	394667	""
"698274"	"698274"	"1-[(E)-[2-Chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(Cl)cc3"	0	""	""	1	1	9572070	""
"698276"	"698276"	"Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron"	"FC(F)(F)c1cccc(CNNC(=O)c2cc[n+]([BH2+3][C-]#N)cc2)c1"	0	""	""	3	2	6334922	""
"698278"	"698278"	""	"COC(=O)\C=C/C(\N=C\c1cccc(OC)c1)(C#N)C#N"	0	NA	NA	3	3	NA	""
"698280"	"698280"	""	"COC(=O)\C=C/C(\N=C\c1cccs1)(C#N)C#N"	0	NA	NA	2	2	NA	""
"698281"	"698281"	""	"COC(=O)\C=C/C(\N=C\c1sccc1C)(C#N)C#N"	0	NA	NA	2	2	NA	""
"698282"	"698282"	""	"COC(=O)\C=C/C(\N=C\c1ccc(Br)s1)(C#N)C#N"	0	NA	NA	2	2	NA	""
"698286"	"698286"	"7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"Clc1ccc(cc1)C2CC(=O)CC(c3ccc(Cl)cc3)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	394683	""
"698287"	"698287"	"1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone"	"CN(C)c1ccc(cc1)C2CC(=O)CC(c3ccc(cc3)N(C)C)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	394684	""
"698363"	"698363"	"N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine"	"[O-][N+](=O)\C(=C(/Nc1cccc2cccnc12)\SCc3ccccc3)\C(=C(Cl)Cl)Cl"	0	""	""	1	1	5470189	""
"698367"	"698367"	"N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine"	"CCCCN(CCCC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CCCC)CCCC"	0	""	""	1	1	394699	""
"698369"	"698369"	"J3.600.858J"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\n2nnc3ccccc23)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	2833828	""
"698374"	"698374"	"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline"	"Cc1cccc(N\C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])\n2nnc3ccccc23)c1"	0	""	""	1	1	5470195	""
"698379"	"698379"	"1,3-Butadiene-1,4-diamine, 1-(1H-benzotriazol-1-yl)-3,4-..."	"CCOc1ccc(N\C(=C(\Cl)/C(=C(/Nc2ccc(OCC)cc2)\n3nnc4ccccc34)/[N+](=O)[O-])\Cl)cc1"	0	""	""	2	2	5470200	""
"698380"	"698380"	"2-[[(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/NCCO)\Cl)/[N+](=O)[O-])\n2nnc3ccccc23)cc1"	0	""	""	1	1	5470201	""
"698382"	"698382"	"N-[(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/N2CCCCC2)\Cl)/[N+](=O)[O-])\n3nnc4ccccc34)cc1"	0	""	""	1	1	5470203	""
"698388"	"698388"	"1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine"	"[O-][N+](=O)\C(=C(/N1CCCCC1)\n2cncn2)\C(=C(Cl)Cl)Cl"	0	""	""	2	1	5470206	""
"698389"	"698389"	"1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole"	"[O-][N+](=O)C(=C(n1cncn1)n2cncn2)C(=C(Cl)Cl)Cl"	0	""	""	2	2	394721	""
"698391"	"698391"	"(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine"	"CCOc1ccc(N\C(=C(\C(=C(\Cl)/N(CC)CC)\Cl)/[N+](=O)[O-])\n2nnc3ccccc23)cc1"	0	""	""	1	1	5470208	""
"698394"	"698394"	"Piperidine, 1,1'-(3,4-dichloro-2,4-dinitro-1,3-butadiene..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(N1CCCCC1)N2CCCCC2)[N+](=O)[O-])\Cl"	0	""	""	3	2	3107921	""
"698395"	"698395"	"Morpholine, 4,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(N1CCOCC1)N2CCOCC2)[N+](=O)[O-])\Cl"	0	""	""	2	2	1618703	""
"698397"	"698397"	"1,3-Butadiene-1,1-diamine, 3,4,4-trichloro-2-nitro-N,N'-..."	"CC(NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)C12CC3CC(CC(C3)C1)C2)C45CC6CC(CC(C6)C4)C5"	0	""	""	2	2	394729	""
"698398"	"698398"	"1,3-Butadiene-1,1-diamine, 3,4-dichloro-2,4-dinitro-N,N'..."	"[O-][N+](=O)\C(=C(/Cl)\C(=C(Nc1ccccc1)Nc2ccccc2)[N+](=O)[O-])\Cl"	0	""	""	2	1	5470211	""
"698400"	"698400"	"STK369750"	"C1CCc2c(C1)c(nc3ccc4ccccc4c23)c5ccc6OCOc6c5"	0	""	""	1	1	394732	""
"698408"	"698408"	"4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol"	"Oc1ccc(c(O)c1)c2nc3ccc4ccccc4c3c5CCCCc25"	0	""	""	2	2	394740	""
"698409"	"698409"	"5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine"	"Clc1ccc(cc1)c2nc3ccc4ccccc4c3c5CCCCc25"	0	""	""	1	1	394741	""
"698451"	"698451"	"N-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide"	"O=C(N\N=C\C=C\c1ccccc1)c2ccccc2Nc3ccccc3C(=O)N\N=C\C=C\c4ccccc4"	0	""	""	1	1	9556371	""
"698452"	"698452"	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]anilino]benzamide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2Nc3ccccc3C(=O)N\N=C\c4ccccc4O"	0	""	""	2	2	135484736	""
"698453"	"698453"	"N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide"	"C\C(=N\NC(=O)c1ccccc1Nc2ccccc2C(=O)N\N=C(/C)\c3ccc(C)cc3)\c4ccc(C)cc4"	0	""	""	1	1	5493586	""
"698458"	"698458"	"5-[2-[2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine"	"N(c1ccccc1)c2nnc(s2)c3ccccc3Nc4ccccc4c5nnc(Nc6ccccc6)s5"	0	""	""	1	1	394755	""
"698459"	"698459"	"N-Ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine"	"CCNc1nnc(s1)c2ccccc2Nc3ccccc3c4nnc(NCC)s4"	0	""	""	2	1	394756	""
"698461"	"698461"	"N,N-Bis(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)amine"	"CC(=O)N1N=C(OC1c2ccccc2)c3ccccc3Nc4ccccc4C5=NN(C(O5)c6ccccc6)C(=O)C"	0	""	""	1	1	394758	""
"698571"	"698571"	"(5Z)-1-Methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione"	"CN1C(=O)NC(=O)\C(=C/Nc2ncccc2C)\C1=O"	0	""	""	1	1	135484737	""
"698573"	"698573"	"NCIMech_000257"	"c1c[nH]c(c1)c2ccc(c3ccc[nH]3)c4nsnc24"	0	""	""	3	3	394788	""
"698574"	"698574"	"4,7-Bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole"	"c1cc(c2ccc([nH]2)c3ccc(c4ccc([nH]4)c5cccc6nsnc56)c7nsnc37)c8nsnc8c1"	0	""	""	1	1	394789	""
"698575"	"698575"	"CTRXHSDVFVFXGZ-UHFFFAOYSA-"	"CC1=C2C(=O)NN=C2CCN1c3ccc(Br)cc3"	0	""	""	1	1	394790	""
"698578"	"698578"	"thiourea, N-3-dibenzofuranyl-"	"NC(=S)Nc1ccc2c(oc3ccccc23)c1"	0	""	""	2	1	3005416	""
"698581"	"698581"	"6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline"	"Cn1nc(c2ccccc2)c3c(c4ccccc4)c5cc(Cl)ccc5nc13"	0	""	""	2	2	394794	""
"698601"	"698601"	"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one"	"CCCCc1ccc(cc1)N2Sc3ncc(C)cc3C2=O"	0	""	""	1	1	394799	""
"698610"	"698610"	"Maybridge3_004519"	"N#Cc1ccc(cc1)N2CCOCC2"	0	""	""	1	1	394808	""
"698611"	"698611"	""	"C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](N)CC=C"	0	NA	NA	1	1	NA	""
"698614"	"698614"	"4-(4-Cyano-N-(4-methoxyphenyl)anilino)benzonitrile"	"COc1ccc(cc1)N(c2ccc(cc2)C#N)c3ccc(cc3)C#N"	0	""	""	1	1	394812	""
"698666"	"698666"	"Indanocine"	"COc1cc2C\C(=C/c3cc(C)c(O)c(C)c3)\C(=O)c2c(N)c1OC"	0	""	""	2	2	5470230	""
"698672"	"698672"	"2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1I)c2nc3ccccc3s2"	0	""	""	3	3	394822	""
"698673"	"698673"	"2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1Br)c2nc3ccccc3s2"	0	""	""	3	2	394823	""
"698674"	"698674"	"STK520043"	"CC(=O)Nc1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	394824	""
"698675"	"698675"	"2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	3	2	394825	""
"698678"	"698678"	"3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[..."	"C[C@@H]1CCC2[C@@H](C)[C@@H](OCCO[C@H]3OC4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@@]46OO5)OC7O[C@@]8(C)CCC1[C@@]27OO8"	0	""	""	2	2	54609039	""
"698680"	"698680"	"3-(2-Chlorophenyl)-7-fluoro-chromen-4-one"	"Fc1ccc2C(=O)C(=COc2c1)c3ccccc3Cl"	0	""	""	1	1	394828	""
"698684"	"698684"	"[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(OC(=O)C)C3OC(=O)C)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)C)C2OC(=O)C"	0	""	""	1	1	394832	""
"698685"	"698685"	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N)C(O)C2O"	0	""	""	3	2	394833	""
"698686"	"698686"	"[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl]"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OCC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=NC4=O)N)OCCCCCCCCCCCCCCCCCC)O2"	0	""	""	1	1	394834	""
"698687"	"698687"	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(O)C(COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N)O2"	0	""	""	1	1	394835	""
"698688"	"698688"	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)COP(=O)(O)OCC3OC(C(O)C3O)N4C=CC(=NC4=O)N"	0	""	""	3	2	394836	""
"698690"	"698690"	"[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-y"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=NC4=O)NCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C2O"	0	""	""	1	1	394838	""
"698691"	"698691"	"1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone"	"CC(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1"	0	""	""	3	2	394839	""
"698692"	"698692"	"Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate"	"CCOC(=O)c1ccc(Nc2c3CCCCc3nc4ccccc24)cc1"	0	""	""	3	2	394840	""
"698792"	"698792"	"Kikubasaponin"	"COC1(CC[C@@H](C)COC2OC(CO)C(O)C(O)C2O)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O"	0	NA	NA	2	2	NA	"54522531"
"698793"	"698793"	"Methyl protoneogracillin"	"COC1(CC[C@H](C)COC2OC(CO)C(O)C(O)C2O)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]1C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O"	0	NA	NA	2	1	NA	""
"698925"	"698925"	"2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol"	"CCOP(=O)(CC1OC(CO)C(O)C1O)OCC"	0	""	""	2	1	394850	""
"698931"	"698931"	"Methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3ccc2[nH]1"	0	""	""	2	2	394855	""
"698945"	"698945"	"(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one"	"COc1cc2C\C=C\CCCC[C@@H](C)OC(=O)c2c(OC)c1"	0	""	""	3	1	5470232	""
"698952"	"698952"	"4-N-(1-Adamantyl)-6-chloropyrimidine-2,4,5-triamine"	"Nc1nc(Cl)c(N)c(NC23CC4CC(CC(C4)C2)C3)n1"	0	""	""	2	1	394863	""
"698954"	"698954"	"N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine"	"Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC56CC7CC(CC(C7)C5)C6)n1"	0	""	""	2	2	394865	""
"698955"	"698955"	"N~2~,N~4~,N~6~-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine"	"C1C2CC3CC1CC(C3)(C2)Nc4nc(NC56CC7CC(CC(C7)C5)C6)nc(NC89CC%10CC(CC(C%10)C8)C9)n4"	0	""	""	2	1	394866	""
"698959"	"698959"	"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(cc4C(=O)c1c23)[N+](=O)[O-]"	0	""	""	2	2	394870	""
"698960"	"698960"	"5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione"	"CN(C)CCNc1ccc2C(=O)N(CCN(C)C)C(=O)N3c4ccc(N)cc4C(=O)c1c23"	0	""	""	2	2	394871	""
"698964"	"698964"	""	"NC1CNC(=O)c2cscc12"	0	NA	NA	1	1	NA	""
"698968"	"698968"	"9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2C(=O)c5occc5"	0	""	""	1	1	394877	""
"698972"	"698972"	"9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline"	"Cc1ccc(cc1)S(=O)(=O)n2c3ccc(Br)cc3c4nc5ccccc5nc24"	0	""	""	1	1	394881	""
"698975"	"698975"	"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide"	"CCCCNC(=O)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13"	0	""	""	1	1	394884	""
"698978"	"698978"	"N-Benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NCc5ccccc5"	0	""	""	1	1	394887	""
"698980"	"698980"	"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide"	"NNC(=O)Cn1c2ccc(Br)cc2c3nc4ccccc4nc13"	0	""	""	1	1	394889	""
"698982"	"698982"	"5-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=S)O5"	0	""	""	2	1	3005419	""
"698983"	"698983"	"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NNC(=S)NC5CCCCC5"	0	""	""	1	1	3001650	""
"698984"	"698984"	"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=S)N5C6CCCCC6"	0	""	""	2	1	3005420	""
"698985"	"698985"	"2-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-N-cyclohexylhydrazinecarboxamide"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC(=O)NNC(=O)NC5CCCCC5"	0	""	""	1	1	394894	""
"698986"	"698986"	"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one"	"Brc1ccc2c(c1)c3nc4ccccc4nc3n2CC5=NNC(=O)N5C6CCCCC6"	0	""	""	1	1	394895	""
"698989"	"698989"	"3mhc"	"NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1"	0	""	""	1	1	394897	""
"698990"	"698990"	"LS-25666"	"NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1"	0	""	""	1	1	394898	""
"699002"	"699002"	"p-Tolylsulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(C)cc1"	0	""	""	1	1	394909	""
"699003"	"699003"	"(4-Acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(NC(=O)C)cc1"	0	""	""	2	2	394910	""
"699004"	"699004"	"(4-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(N)cc1"	0	""	""	2	2	394911	""
"699006"	"699006"	"(4-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	394913	""
"699007"	"699007"	"ACT09032"	"CCN(CC)C(=S)SS(=O)(=O)c1ccccc1[N+](=O)[O-]"	0	""	""	2	2	394914	""
"699008"	"699008"	"2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid"	"CCN(CC)C(=S)SS(=O)(=O)c1ccccc1C(=O)O"	0	""	""	3	2	394915	""
"699009"	"699009"	"(4-Chlorophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(Cl)cc1"	0	""	""	1	1	394916	""
"699010"	"699010"	"(4-Fluorophenyl)sulfonyl N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SS(=O)(=O)c1ccc(F)cc1"	0	""	""	1	1	394917	""
"699011"	"699011"	"[2-(4-Sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate"	"CCN(CC)C(=S)SNCCc1ccc(cc1)S(=O)(=O)N"	0	""	""	2	2	394918	""
"699019"	"699019"	""	"COc1cccc2c1CCc3cc4c(N)nc(N)nc4nc23"	0	NA	NA	3	1	NA	""
"699022"	"699022"	"1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one"	"CN1C(=O)Oc2nc(cc(c12)C(F)(F)F)c3ccccc3"	0	""	""	1	1	394921	""
"699026"	"699026"	""	"CC(=O)OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(C)(C)O[C@@H]1C2SCCCS2"	0	NA	NA	1	1	NA	""
"699028"	"699028"	""	"CN1C(=O)[C@@H]2N(CSC2(C)C)C1=S"	0	NA	NA	1	1	NA	""
"699029"	"699029"	""	"[Na+].Cc1ncc(COP(=O)(O)O)c(\C=C\2/SC(=S)NC2=O)c1O"	0	NA	NA	2	1	NA	""
"699031"	"699031"	""	"C=C1CN(Cc2ccccc2)[C@@H]3CCCCC[C@H](C#N)[C@H]13"	0	NA	NA	2	1	NA	""
"699034"	"699034"	"2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol"	"COC1OC(Cn2cc(nc2C)[N+](=O)[O-])C(O)C(O)C1O"	0	""	""	1	1	394934	""
"699069"	"699069"	""	"COc1cc(\C=C/2\SC(N(C2=O)c3ccc(Cl)cc3)c4ccccc4)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"699071"	"699071"	""	"COc1ccccc1N2C(S\C(=C\c3cc(OC)c(OC)c(OC)c3)\C2=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"699081"	"699081"	""	"Clc1ccc(cc1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	2	2	NA	""
"699083"	"699083"	""	"COc1ccc(cc1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"699086"	"699086"	""	"COc1ccc(NC(=O)C)cc1N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"699087"	"699087"	""	"Clc1ccc(Cl)c(c1)N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"699092"	"699092"	""	"COc1cc(\C=C\2/C(=O)N(C(c3ccccc3)S2(=O)=O)c4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"699095"	"699095"	""	"COc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cc(OC)c(OC)c(OC)c4)\C2=O"	0	NA	NA	1	1	NA	""
"699100"	"699100"	""	"COc1cc(\C=C\2/C(=O)N(Cc3ccccc3)C(c4ccccc4)S2(=O)=O)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"699103"	"699103"	""	"Clc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	NA	""
"699105"	"699105"	""	"COc1ccccc1N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	NA	""
"699106"	"699106"	""	"COc1ccc(cc1)N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	NA	""
"699109"	"699109"	""	"COc1ccc(NC(=O)C)cc1N2C(c3ccccc3)S(=O)(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\C2=O"	0	NA	NA	1	1	NA	""
"699111"	"699111"	""	"O=C1N(Cc2ccccc2)C(c3ccccc3)S(=O)(=O)/C/1=C/c4cccc(Oc5ccccc5)c4"	0	NA	NA	1	1	NA	""
"699112"	"699112"	""	"COc1ccccc1N2C(S\C(=C\c3cccc(Oc4ccccc4)c3)\C2=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"699121"	"699121"	"Upro-PAME"	"COC(=O)C(=C)[C@H]1CC\C(=C\CC[C@@](C)(O)\C=C\C[C@@]2(C)O[C@@H]2C1)\C"	0	""	""	1	1	54611345	""
"699122"	"699122"	"Palisol"	"C\C(=C/CC1C(=C)CC=CC1(C)C)\C(O)CBr"	0	""	""	1	1	6393559	""
"699123"	"699123"	"5-Acetoxypalisadin B"	"CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@H]12"	0	""	""	1	1	395002	""
"699139"	"699139"	"2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride"	"NCCCCc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O"	0	""	""	2	1	439019	""
"699142"	"699142"	"N-[2-(Diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(ccc4[nH]3)[N+](=O)[O-])ccc2[nH]1"	0	""	""	2	2	5110746	""
"699144"	"699144"	"N-[2-(Diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)c5cc6cc(ccc6[nH]5)[N+](=O)[O-])ccc4[nH]3)ccc2[nH]1"	0	""	""	1	1	5184308	""
"699145"	"699145"	"5-Amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide"	"CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1"	0	""	""	1	1	395006	""
"699148"	"699148"	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate"	"CCOC(=O)Oc1ccc2c(c1)C(=O)c3c(NCCN(CC)CC)ccc4nnn2c34"	0	""	""	2	2	439022	""
"699149"	"699149"	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate"	"CCC(=O)Oc1ccc2c(c1)C(=O)c3c(NCCCN(C)C)ccc4nnn2c34"	0	""	""	2	2	439023	""
"699150"	"699150"	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate"	"CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccc(cc5)[N+](=O)[O-])cc4C(=O)c1c23"	0	""	""	2	2	439024	""
"699151"	"699151"	"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate"	"CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccccc5)cc4C(=O)c1c23"	0	""	""	2	1	439025	""
"699152"	"699152"	"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate"	"CCN(CC)CCNc1ccc2nnn3c4ccc(OC(=O)C)cc4C(=O)c1c23"	0	""	""	2	2	439026	""
"699165"	"699165"	"(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-propyl ester"	"CC(=O)Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	1	1	5470290	""
"699167"	"699167"	"3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester"	"CC(=O)Oc1ccc(\C=C\C(=O)NCCOC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2)cc1OC(=O)C"	0	""	""	1	1	5470292	""
"699168"	"699168"	""	"C[C@H](OC(=O)\C=C\c1ccc(OC(=O)C)c(OC(=O)C)c1)[C@H](C)OC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2"	0	NA	NA	1	1	NA	""
"699170"	"699170"	"3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate"	"Oc1ccc(\C=C\C(=O)OCCCOC(=O)\C=C\c2ccc(O)c(O)c2)cc1O"	0	""	""	1	1	5470295	""
"699177"	"699177"	""	"COc1ccc(cc1O)C2=C(C#N)C(=S)N(C3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)C(=C2C(=O)C)c4ccccc4"	0	NA	NA	1	1	NA	""
"699184"	"699184"	""	"CCOC(=O)C1=C(N(C2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=S)C(=C1c3ccc(OC)c(O)c3)C#N)c4ccccc4"	0	NA	NA	1	1	NA	""
"699186"	"699186"	"Ethyl 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate"	"CCOC(=O)C1=C(N(C2OC(CO)C(O)C(O)C2O)C(=S)C(=C1c3ccc(OC)c(O)c3)C#N)c4ccccc4"	0	""	""	1	1	395025	""
"699188"	"699188"	"5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide"	"COc1ccc(cc1)C2=C(C#N)C(=S)N(C3OC(CO)C(O)C(O)C3O)C(=C2C(=O)Nc4ccccc4)c5ccccc5"	0	""	""	1	1	395026	""
"699191"	"699191"	"7-Methoxy-N-[2-[2-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"COc1ccc2c(ccc3c(cn(C)c23)C(=O)NCCN(C)CCNC(=O)c4cn(C)c5c4ccc6cc(OC)ccc56)c1"	0	""	""	1	1	395029	""
"699192"	"699192"	"7-Methoxy-N-[3-[3-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"COc1ccc2c(ccc3c(cn(C)c23)C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc6cc(OC)ccc56)c1"	0	""	""	1	1	395030	""
"699221"	"699221"	"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile"	"Cc1cc2nc(C#N)c(nc2cc1C)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	1	395037	""
"699222"	"699222"	"2-Quinoxalinecarbonitrile, 7-(4-nitrophenyl)-3-[4-(4-nit..."	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4cc(ccc4[n+]3[O-])c5ccc(cc5)[N+](=O)[O-]"	0	""	""	2	2	395038	""
"699226"	"699226"	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	NA	""
"699227"	"699227"	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	NA	""
"699228"	"699228"	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	1	NA	""
"699229"	"699229"	""	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	NA	NA	2	2	NA	""
"699230"	"699230"	""	"Cc1ccc2N=C[C@@H]3CCCN3C(=O)c2c1"	0	NA	NA	2	1	NA	""
"699234"	"699234"	"2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole"	"COc1ccc(cc1)S(=O)(=O)c2nnc(s2)S(=O)(=O)Cc3ccccc3"	0	""	""	1	1	395049	""
"699241"	"699241"	"1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil"	"Brc1ccc(NC2=CN(COCc3ccccc3)C(=O)NC2=O)cc1"	0	""	""	1	1	395053	""
"699243"	"699243"	"1-(2-Phenoxyethyl)-5-(phenylamino)uracil"	"O=C1NC(=O)C(=CN1CCOc2ccccc2)Nc3ccccc3"	0	""	""	1	1	395054	""
"699245"	"699245"	"1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil"	"Cc1ccccc1NC2=CN(CCOc3ccccc3)C(=O)N(CCOc4ccccc4)C2=O"	0	""	""	1	1	395056	""
"699246"	"699246"	"1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil"	"Cc1cccc(NC2=CN(CCOc3ccccc3)C(=O)NC2=O)c1"	0	""	""	1	1	395057	""
"699247"	"699247"	"1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil"	"Cc1cccc(NC2=CN(CCOc3ccccc3)C(=O)N(CCOc4ccccc4)C2=O)c1"	0	""	""	1	1	395058	""
"699332"	"699332"	""	"CC1=CN(C2CC(CC=C)C(CO[Si](C)(C)C(C)(C)C)O2)C(=O)NC1=O"	0	NA	NA	1	1	NA	""
"699382"	"699382"	"(6E,7R,8R,8As)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol"	"CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(OCc3ccccc3)[C@@H]1O"	0	""	""	3	1	5470307	""
"699383"	"699383"	""	"CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O"	0	NA	NA	1	1	NA	""
"699384"	"699384"	"Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate"	"COC(=O)C1C2CCCN2C(=O)N(C)C1=O"	0	""	""	1	1	395092	""
"699385"	"699385"	"2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione"	"CN1C(=O)CC2CCCN2C1=O"	0	""	""	1	1	395093	""
"699391"	"699391"	""	"CC(O)[C@]1(CC2(CCN(C)CC2)O[C@H]1C)c3ccccc3"	0	NA	NA	1	1	NA	""
"699397"	"699397"	""	"CCOC(=O)N1CCC2(CC1)C[C@@](C)(C(C)O2)C(=O)C"	0	NA	NA	1	1	NA	""
"699400"	"699400"	"1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one"	"CC(C)[Si](CC1=CCCCC12C(=O)N(COCC[Si](C)(C)C)c3ccccc23)(C(C)C)C(C)C"	0	""	""	1	1	395110	""
"699405"	"699405"	"N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide"	"CC(C)[Si](OC1=C(CCCCC1)C(=O)Nc2ccccc2Cl)(C(C)C)C(C)C"	0	""	""	2	1	395115	""
"699410"	"699410"	"rac-diop"	"CC1(C)O[C@@H](CP(c2ccccc2)c3ccccc3)[C@H](CP(c4ccccc4)c5ccccc5)O1"	0	""	""	1	1	395120	""
"699411"	"699411"	""	"COC(=O)[C@@H]1OC(C)(O[C@H]1C(=O)OC)c2ccccc2"	0	NA	NA	1	1	NA	""
"699412"	"699412"	"(R,R)-Diop"	"CC1(C)OC(CP(c2ccccc2)c3ccccc3)C(CP(c4ccccc4)c5ccccc5)O1"	0	""	""	2	2	122582	""
"699413"	"699413"	"2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol"	"OCC(CCc1ccccc1I)C2=CCC3(CC2)OCCO3"	0	""	""	1	1	395122	""
"699415"	"699415"	"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate"	"COC(=O)C(CCc1ccccc1I)C2=CCC3(CC2)OCCO3"	0	""	""	1	1	395124	""
"699417"	"699417"	"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate"	"CCC1(O)CC(CCN(Cc2ccccc2)C(=O)OCc3ccccc3)C(OCc4ccccc4)C1O"	0	""	""	1	1	395126	""
"699418"	"699418"	"5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one"	"CCC1(O)CC2CC(=O)OC2C1O"	0	""	""	1	1	395127	""
"699425"	"699425"	"1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one"	"O\C(=C/C(=O)c1cccc(CC=C)c1O)\C=C\c2ccccc2Cl"	0	""	""	2	1	5470312	""
"699426"	"699426"	"Dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate"	"COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2C(S1)C(=S)N(C)C"	0	""	""	1	1	395135	""
"699427"	"699427"	"5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione"	"CCCN(CCCc1ccccc1)CCc2ccc3NC(=S)Nc3c2"	0	""	""	1	1	3005423	""
"699431"	"699431"	"3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile"	"CC(C)(C)c1ccc(cc1)c2oc(nn2)c3cc(cc(c3)c4oc(nn4)c5ccc(cc5)C(C)(C)C)C#N"	0	""	""	1	1	395140	""
"699433"	"699433"	""	"CN(CCN)[C@H](CSSC[C@H](N(C)CCN)c1ccccc1O)c2ccccc2O"	0	NA	NA	2	1	NA	""
"699447"	"699447"	"4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one"	"COc1ccc2C(=C(Oc3ccccc3)C(=O)Oc2c1)c4ccc(O)cc4"	0	""	""	2	2	395147	""
"699448"	"699448"	"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one"	"COc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccc(O)cc4"	0	""	""	2	1	395148	""
"699449"	"699449"	"4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one"	"CN(C)CCOc1ccc(cc1)C2=C(Oc3ccccc3)C(=O)Oc4ccccc24"	0	""	""	1	1	395149	""
"699450"	"699450"	"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one"	"CN(C)CCOc1ccc(cc1)C2=C(Oc3ccc(Cl)cc3)C(=O)Oc4ccccc24"	0	""	""	2	1	395150	""
"699452"	"699452"	"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one"	"COc1ccc2C(=C(Oc3ccc(Cl)cc3)C(=O)Oc2c1)c4ccc(OCCN(C)C)cc4"	0	""	""	2	2	395152	""
"699471"	"699471"	"Paullone Analog 44"	"Oc1cccc2c1NC(=O)Cc3c2[nH]c4ccc(Br)cc34"	0	""	""	1	1	395169	""
"699474"	"699474"	"1-N-Methyl-2-phenyl-4-(3',4',5'-trimethoxybenzylidine)-p..."	"COc1cc(\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc(OC)c1OC"	0	""	""	2	2	5470313	""
"699475"	"699475"	"4-[(Z)-[2-(1-Adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc([n+]4C)C56CC7CC(CC(C7)C5)C6)cc1"	0	""	""	2	2	5470315	""
"699476"	"699476"	"3-Methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate"	"COc1cc(ccc1\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)N(C)C"	0	""	""	2	2	5470317	""
"699477"	"699477"	"N,N-Dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C\C=C/2\c3ccccc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	5470319	""
"699478"	"699478"	"Ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate"	"CCOC(=O)c1cc2\C(=C/c3ccc(cc3)N(C)C)\c4ccccc4n2[n+]1C"	0	""	""	2	2	5470321	""
"699479"	"699479"	"4-[(Z)-[2-(4-Chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(c5ccc(Cl)cc5)[n+]4C)cc1"	0	""	""	2	2	5351444	""
"699483"	"699483"	"Methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3cc(N(C)C)c2[nH]1"	0	""	""	2	1	395185	""
"699490"	"699490"	"Doxoform"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC6C(OCN6CN7COC8C(C)OC(CC78)O[C@H]9C[C@@](O)(Cc%10c(O)c%11C(=O)c%12cccc(OC)c%12C(=O)c%11c(O)c9%10)C(=O)CO)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	2	2	24202589	""
"699491"	"699491"	"Epidoxoform"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC6C(OCN7CN6COC8C(C)OC(CC78)O[C@H]9C[C@@](O)(Cc%10c(O)c%11C(=O)c%12cccc(OC)c%12C(=O)c%11c(O)c9%10)C(=O)CO)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	""	""	4	3	395188	""
"699499"	"699499"	"[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N)C2O"	0	""	""	1	1	395196	""
"699666"	"699666"	"N'-(5-Formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccccc3"	0	""	""	2	2	9601322	""
"699667"	"699667"	"N'-[6-(4-Chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(Cl)cc3"	0	""	""	2	2	9556374	""
"699668"	"699668"	"N'-[5-Formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	9556375	""
"699669"	"699669"	"N'-[5-Formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	9601323	""
"699670"	"699670"	"N'-[5-Formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3oc(cc3)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	9601324	""
"699671"	"699671"	"N'-[5-Formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide"	"CN(C)\C=N\S(=O)(=O)c1nn2c(C=O)c(nc2s1)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	9601325	""
"699680"	"699680"	"Z-.alpha.-Chlorochalcone"	"Cl\C(=C/c1ccccc1)\C(=O)c2ccccc2"	0	""	""	2	2	5470324	""
"699695"	"699695"	"2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile"	"Cc1cnc(Cl)nc1C(C#N)c2nc3ccccc3s2"	0	""	""	1	1	395220	""
"699702"	"699702"	"2-(2-Chloro-5-methyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile"	"Cc1cnc(Cl)nc1C(C#N)c2nc3ccccc3n2C"	0	""	""	1	1	395227	""
"699703"	"699703"	"1,3-Benzothiazol-2-yl(6-chloro-5-nitropyrimidin-4-yl)acetonitrile"	"[O-][N+](=O)c1c(Cl)ncnc1C(C#N)c2nc3ccccc3s2"	0	""	""	1	1	395228	""
"699704"	"699704"	"Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-"	"Clc1nccc(n1)C(C#N)c2nc3ccccc3s2"	0	""	""	2	2	395229	""
"699708"	"699708"	"2H-Isoquinolin-1-one, 3-amino-2-(2-benzothiazolyl)-4-(3,..."	"NC1=C(c2ccc(Cl)c(Cl)c2)c3ccc(cc3C(=O)N1c4nc5ccccc5s4)[N+](=O)[O-]"	0	""	""	2	2	395233	""
"699710"	"699710"	"F0012-0183"	"Cc1cccc2sc(NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])nc12"	0	""	""	2	2	395235	""
"699714"	"699714"	"Z56789550"	"CN1C2=C(C#N)c3ncccc3C(=O)N2c4ccccc14"	0	""	""	1	1	395239	""
"699724"	"699724"	""	"CN(C)CCN1C(=O)N=C2c3cc(O)ccc3Nc4c2c1ccc4[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"699725"	"699725"	""	"COc1ccc2Nc3c4C(=NC(=S)N(CCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	NA	""
"699726"	"699726"	""	"COc1ccc2Nc3c4C(=NC(=S)N(CCCN(C)C)c4ccc3[N+](=O)[O-])c2c1"	0	NA	NA	2	2	NA	""
"699727"	"699727"	""	"CN(C)CCCN1C(=S)N(CCCN(C)C)c2c3cc(O)ccc3nc4c(ccc1c24)[N+](=O)[O-]"	0	NA	NA	3	2	NA	""
"699735"	"699735"	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one"	"Cc1ccc(C)c(COCCOCN2C=CC(=NC2=O)N)c1"	0	""	""	1	1	395257	""
"699737"	"699737"	"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione"	"Cc1ccc(C)c(COCCOCN2C=C(N3CCOCC3)C(=O)NC2=O)c1"	0	""	""	1	1	395259	""
"699740"	"699740"	"9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4cccc(c4)[N+](=O)[O-])c5[nH]c6ccccc6c25"	0	""	""	1	1	395262	""
"699743"	"699743"	"4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione"	"CCC(C)(C)C1CCC2C(C1)C3C(C(=O)N(C3=O)c4ccc(OC)cc4)c5[nH]c6ccccc6c25"	0	""	""	1	1	395265	""
"699745"	"699745"	"methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate"	"COC(=O)CNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	395267	""
"699746"	"699746"	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-methylbutanoate"	"COC(=O)C(NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3)C(C)C"	0	""	""	1	1	395268	""
"699747"	"699747"	"STK771611"	"Sc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	764370	""
"699750"	"699750"	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoate"	"COC(=O)C(NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3)C(C)C"	0	""	""	1	1	395272	""
"699755"	"699755"	""	"COc1ccc(cc1OC)[C@H]2C=[N+]([O-])O[C@H](OC3CCCC3)[C@@H]2OC(=O)C"	0	NA	NA	1	1	NA	""
"699756"	"699756"	""	"CC(=O)O[C@H]1[C@@H](OC2CCCC2(c3ccccc3)c4ccccc4)O[N+](=CC1C5CCCCC5)[O-]"	0	NA	NA	2	1	NA	""
"699757"	"699757"	""	"CC(=O)O[C@H]1[C@@H](OC2CCCC2(c3ccccc3)c4ccccc4)O[N+](=C[C@@H]1c5ccccc5)[O-]"	0	NA	NA	2	1	NA	""
"699758"	"699758"	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)C"	0	NA	NA	2	2	NA	""
"699759"	"699759"	""	"CC(=O)O[C@@H]1CN(C[C@@H]1C2CCCCC2)S(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	NA	""
"699760"	"699760"	""	"CC(=O)O[C@H]1CN(C[C@@H]1C2CCCCC2)S(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	NA	""
"699763"	"699763"	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)C(C)(C)C"	0	NA	NA	2	1	NA	""
"699766"	"699766"	"Benzoic acid, 2-(2,2-diphenylcyclopentyloxy)ethenyl este..."	"O=C(O\C=C/OC1CCCC1(c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	2	2	3005428	""
"699767"	"699767"	""	"CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](OC3CCCC3(c4ccccc4)c5ccccc5)[C@@H]1OC(=O)c6ccccc6"	0	NA	NA	2	2	NA	""
"699769"	"699769"	"5-Bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole"	"[O-][N+](=O)\C=C\COCc1cc2OCOc2cc1Br"	0	""	""	1	1	5470336	""
"699775"	"699775"	""	"CC(=O)O[C@@H]1[C@H](OC2CCCCC2(c3ccccc3)c4ccccc4)O[N+](=CC15CCCCC5)[O-]"	0	NA	NA	1	1	NA	""
"699776"	"699776"	""	"[O-][N+](=O)\C=C(/CS(=O)(=O)c1ccccc1)\c2ccc3OCOc3c2"	0	NA	NA	1	1	NA	""
"699777"	"699777"	"5-(Methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole"	"COCc1cc2OCOc2cc1\C=C\[N+](=O)[O-]"	0	""	""	1	1	5470338	""
"699779"	"699779"	"6-Tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium"	"CC(=C)CCC1CC=[N+]([O-])OC1C(C)(C)C"	0	""	""	1	1	395298	""
"699781"	"699781"	""	"CO[C@H](C(=O)O[C@@H]1ON2CC[C@@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1C(=O)OC)c4ccccc4"	0	NA	NA	1	1	NA	""
"699782"	"699782"	""	"CCOC(=O)[C@@H]1ON2O[C@@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCCC4c5ccccc5"	0	NA	NA	1	1	NA	""
"699783"	"699783"	""	"CCOC(=O)[C@@H]1ON2O[C@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCCC4c5ccccc5"	0	NA	NA	1	1	NA	""
"699784"	"699784"	""	"CCOC(=O)[C@@H]1ON2O[C@H](C[C@H]3OC(=O)[C@@H]1C23)OC4CCCC4(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"699785"	"699785"	"O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate"	"CCOC(=O)\C=C\C(=O)O\C=C\[N+](=O)[O-]"	0	""	""	1	1	5470339	""
"699787"	"699787"	"1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate"	"COc1cc(c(OC(=O)\C=C\C(=O)O\C=C\[N+](=O)[O-])c(c1)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	5470340	""
"699794"	"699794"	""	"OC1O[C@@H]2[C@@H](CN3[C@@H]2[C@@H]1[C@@H](O)C3=O)[Si](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	1	1	NA	""
"699795"	"699795"	"Isopropyl(2s,3s)-3-[5-(dimethyl-phenyl-silyl)-2h-oxazin-3-yl]-2,4-dihydroxy-butanoate"	"CC(C)OC(=O)[C@@H](O)[C@H](CO)C1=CC(=CON1)[Si](C)(C)c2ccccc2"	0	""	""	1	1	395313	""
"699800"	"699800"	""	"B.CS(=O)(=O)O[C@H]1CN2C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CO"	0	NA	NA	1	1	NA	""
"699801"	"699801"	"(3z)-3-{[3,5-Bis(trifluoromethyl)phenyl]imino}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	"CC1(C)C2CCC1(C)C(=O)/C/2=N\c3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	395319	""
"699804"	"699804"	""	"CC1(C)C2CCC1(C)C(=O)[C@H]2Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"699806"	"699806"	"3-(Tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol"	"CC(C)(C)NC1C(O)C2(C)CCC1C2(C)C"	0	""	""	1	1	395324	""
"699807"	"699807"	""	"CC1(C)C2CCC1(C)[C@H](O)[C@H]2Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"699816"	"699816"	"2-ethyl-6-methyl-3-(1-methylethyl)-1,3,2-oxazaphosphinane 2-sulfide"	"CCP1(=S)OC(C)CCN1C(C)C"	0	""	""	1	1	395334	""
"699818"	"699818"	"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene"	"CC1(C)COC(=N1)c2cccc(C3=NC(C)(C)CO3)c2Br"	0	""	""	1	1	395336	""
"699819"	"699819"	"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene"	"CC1(C)COC(=N1)c2cccc(c2)C3=NC(C)(C)CO3"	0	""	""	1	1	395337	""
"699821"	"699821"	"N-[1-[2-(Methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide"	"CS(=O)(=O)Nc1ccc2ccccc2c1c3c(NS(=O)(=O)C)ccc4ccccc34"	0	""	""	2	1	395339	""
"699833"	"699833"	"Methyl 1-nonyl-4-oxopiperidine-3-carboxylate"	"CCCCCCCCCN1CCC(=O)C(C1)C(=O)OC"	0	""	""	1	1	395351	""
"699837"	"699837"	"4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran"	"COC1CC(COCc2ccccc2)CC(OC)O1"	0	""	""	1	1	395355	""
"699882"	"699882"	"11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride"	"C1Oc2cc3ccnc4C=CNc(c2O1)c34"	0	""	""	2	1	395382	""
"699920"	"699920"	"BG-757"	"CCSc1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	395384	""
"699921"	"699921"	"9-Ethylsulfinyl-2,7-dimethoxy-acridine"	"CCS(=O)c1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	2	395385	""
"699923"	"699923"	"9-((2-Chloroethyl)thio)acridine"	"ClCCSc1c2ccccc2nc3ccccc13"	0	""	""	2	1	395387	""
"699925"	"699925"	"9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1"	0	""	""	3	2	395389	""
"699926"	"699926"	"9-(2-Chloroethylsulfinyl)-2,7-dimethoxy-acridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)CCCl"	0	""	""	2	1	395390	""
"699927"	"699927"	"2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine"	"CCN(CC)CCSc1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	395391	""
"699928"	"699928"	"2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine"	"CCN(CC)CCS(=O)c1c2cc(OC)ccc2nc3ccc(OC)cc13"	0	""	""	2	1	395392	""
"699929"	"699929"	"BG-832"	"COc1ccc2nc3ccc(OC)cc3c(SCCO)c2c1"	0	""	""	2	2	395393	""
"699931"	"699931"	"3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine"	"Clc1ccc2c(SCC3CO3)c4ccccc4nc2c1"	0	""	""	2	2	395395	""
"699932"	"699932"	"9-(Benzylthio)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(SCc4ccccc4)c2c1"	0	""	""	2	1	395396	""
"699933"	"699933"	"9-(Benzylsulfinyl)-2,7-dimethoxyacridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)Cc4ccccc4"	0	""	""	2	1	395397	""
"699934"	"699934"	"9-[(4-Nitrophenyl)methylsulfanyl]acridine"	"[O-][N+](=O)c1ccc(CSc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	395398	""
"699936"	"699936"	"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)Cc4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	395400	""
"699938"	"699938"	"AN-584/43502783"	"COc1ccc2nc3ccc(OC)cc3c(c2c1)S(=O)(=O)C=C"	0	""	""	2	1	395402	""
"699939"	"699939"	"AO-476/40672119"	"FC(F)(F)c1cccc(Nc2c3CCCCc3c(C#N)c4nc5ccccc5n24)c1"	0	""	""	1	1	395403	""
"699940"	"699940"	"1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(Nc2c3CCCc3c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	3	2	395404	""
"699943"	"699943"	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c4CCCc4c(Nc5ccc(Cl)cc5)n3c2cc1C"	0	""	""	1	1	395407	""
"699944"	"699944"	"1-[(4-Fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	395408	""
"699945"	"699945"	"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4ccc(F)cc4)n3c2cc1C)c5ccccc5"	0	""	""	1	1	395409	""
"699946"	"699946"	"1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"FC(F)(F)c1cccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)c1"	0	""	""	1	1	395410	""
"699947"	"699947"	"7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4cccc(c4)C(F)(F)F)n3c2cc1C)c5ccccc5"	0	""	""	1	1	395411	""
"699948"	"699948"	"1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1ccc(Nc2cc(c3ccccc3)c(C#N)c4nc5ccccc5n24)cc1"	0	""	""	2	2	395412	""
"699949"	"699949"	"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2nc3c(C#N)c(cc(Nc4ccc(Cl)cc4)n3c2cc1C)c5ccccc5"	0	""	""	1	1	395413	""
"699950"	"699950"	"(2E)-2-[(4-Fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(cc1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	5470347	""
"699951"	"699951"	"(2E)-2-[(4-Fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(\C=N\c4ccc(F)cc4)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	5470348	""
"699952"	"699952"	"(2E)-2-[(4-Chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile"	"Clc1ccc(cc1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	1817078	""
"699954"	"699954"	"(2E)-1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile"	"FC(F)(F)c1cccc(c1)\N=C\C2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	1	1	5470350	""
"699956"	"699956"	"2-[(4-Fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Fc1ccc(cc1)N=NC2=C(C(=C3Nc4ccccc4N3C2=O)C#N)c5ccccc5"	0	""	""	2	2	395420	""
"699957"	"699957"	"2-[(4-Fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(N=Nc4ccc(F)cc4)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	395421	""
"699959"	"699959"	"7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile"	"Cc1cc2NC3=C(C#N)C(=C(N=Nc4cccc(c4)C(F)(F)F)C(=O)N3c2cc1C)c5ccccc5"	0	""	""	1	1	395423	""
"699960"	"699960"	"1-Oxo-3-phenyl-2-(1-piperidylmethyl)-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile"	"O=C1N2C(=C(C#N)C(=C1CN3CCCCC3)c4ccccc4)Nc5ccccc25"	0	""	""	1	1	395424	""
"699962"	"699962"	"roserine"	"COc1cc2c3CCCC4CC[n+](cc2c(OC)c1OC)c34"	0	""	""	2	1	395426	""
"699968"	"699968"	"2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole"	"CC(=O)ON(C(=O)C)c1ccc(cc1)c2nc3ccccc3s2"	0	""	""	2	2	395430	""
"699969"	"699969"	"2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole"	"CC(=O)Nc1ccc(cc1O)c2nc3ccccc3s2"	0	""	""	1	1	395431	""
"699978"	"699978"	"5,8-Dimethoxy-4-methylquinoline"	"COc1ccc(OC)c2c(C)ccnc12"	0	""	""	3	3	395433	""
"699980"	"699980"	"3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate"	"Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1"	0	""	""	1	1	3005435	""
"699982"	"699982"	"STK170335"	"CN1C(=O)N(C)C(=O)C(=Cc2ccc(Br)cc2)C1=O"	0	""	""	1	1	395437	""
"699988"	"699988"	"7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione"	"COc1ccc(cc1)C2C3=C(OC(N(C)C)(N(C)C)C2(F)F)N(C)C(=O)N(C)C3=O"	0	""	""	1	1	395443	""
"700023"	"700023"	"J7X181M78Y"	"Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1"	0	""	""	1	1	395460	""
"700025"	"700025"	"4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile"	"Cc1sc(Nc2ccccc2[N+](=O)[O-])c(C#N)c1C"	0	""	""	1	1	395462	""
"700029"	"700029"	"2-Butenoic acid, 4,4-dicyano-4-[[(5-methyl-2-thienyl)met..."	"COC(=O)\C=C/C(\N=C\c1ccc(C)s1)(C#N)C#N"	0	NA	NA	2	2	NA	""
"700030"	"700030"	"2-Butenoic acid, 4-[[(4-bromo-2-thienyl)methylene]amino]..."	"COC(=O)\C=C/C(\N=C\c1cc(Br)cs1)(C#N)C#N"	0	NA	NA	2	2	NA	""
"700033"	"700033"	"Methyl 2-(4-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc(C#N)[nH]c1c2cc(Br)cs2"	0	""	""	2	1	395470	""
"700034"	"700034"	"Methyl 2-(5-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc(C#N)[nH]c1c2ccc(Br)s2"	0	""	""	2	2	395471	""
"700086"	"700086"	"17-hydroxyjolkinolide A"	"CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34O[C@@H]3C5=C(CO)C(=O)OC5=C[C@@H]24"	0	""	""	1	1	6712606	""
"700087"	"700087"	"Jolkinolide B"	"CC1=C2[C@H]3O[C@]34CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]4[C@H]6O[C@@]26OC1=O"	0	""	""	2	2	161954	""
"700088"	"700088"	"17-hydroxyjolkinolide B"	"CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]34O[C@@H]3C5=C(CO)C(=O)O[C@]56O[C@@H]6[C@@H]24"	0	""	""	2	1	6712607	""
"700089"	"700089"	"Diazonamide A"	"CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3O[C@@H]4Nc5c6cccc5[C@@]4(c7oc(nc7c8oc(c(Cl)n8)c9c(Cl)[nH]c%10cccc6c9%10)[C@@H](NC1=O)C(C)C)c3c2"	0	""	""	2	2	395475	"406216986"
"700122"	"700122"	"Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate"	"COC(=O)C1C(C(=O)OC)C1(Br)CBr"	0	""	""	1	1	395481	""
"700124"	"700124"	"(3-Bromophenyl) (E)-3-phenylprop-2-enoate"	"Brc1cccc(OC(=O)\C=C\c2ccccc2)c1"	0	""	""	1	1	5876919	""
"700125"	"700125"	""	"O=C(\C=C\c1ccc(cc1)c2ccccc2)c3cccs3"	0	NA	NA	2	2	NA	""
"700126"	"700126"	"4-(2-Hydroxyphenyl)-2-phenyl-1-thiophen-2-ylbutane-1,4-dione"	"Oc1ccccc1C(=O)CC(C(=O)c2cccs2)c3ccccc3"	0	""	""	2	1	395485	""
"700127"	"700127"	"2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester..."	"Oc1ccc(\C=C\C(=O)Oc2ccccc2)cc1O"	0	""	""	2	2	5910817	""
"700128"	"700128"	"3-Hydroxyphenyl 3-phenylacrylate"	"Oc1cccc(OC(=O)\C=C\c2ccccc2)c1"	0	""	""	1	1	1234720	""
"700129"	"700129"	"Guaiacol cinnamate"	"COc1ccccc1OC(=O)\C=C\c2ccccc2"	0	""	""	1	1	695688	""
"700132"	"700132"	"15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene"	"Cn1c(cc2c3ccsc3c4ccsc4c12)c5ccccc5"	0	""	""	1	1	395490	""
"700133"	"700133"	"1-Methyl-2,3,5-tris(2-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3cccs3)c4cccs4"	0	""	""	2	2	395491	""
"700136"	"700136"	"(2-Methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate"	"COc1ccc(\C=C\C(=O)Oc2ccccc2OC)cc1"	0	""	""	2	2	5928358	""
"700141"	"700141"	"4H-Pyran-4-one, 2-(hydroxymethyl)-5-[[(4-methylphenyl)su..."	"Cc1ccc(cc1)S(=O)(=O)OC2=COC(=CC2=O)CO"	0	""	""	2	2	395499	""
"700144"	"700144"	"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione"	"COc1ccc(cc1)C(=C2C(=O)N(C(=O)C2=C(C)C)c3ccccc3)c4ccc(OC)cc4"	0	""	""	3	2	395502	""
"700145"	"700145"	""	"OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)C(O)C(O)C1O"	0	NA	NA	1	1	NA	""
"700147"	"700147"	"Ethyl 4,7-diacetoxybenzothiophene-2-carboxylate"	"CCOC(=O)c1cc2c(OC(=O)C)ccc(OC(=O)C)c2s1"	0	""	""	2	2	395505	""
"700149"	"700149"	"2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate"	"COCOc1ccc(C(=O)Oc2cccc3OC(C)(C)Oc23)c(OCOC)c1"	0	""	""	1	1	395507	""
"700199"	"700199"	"1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone"	"CC(=O)c1ccc(s1)c2oc(cc2c3ccc4OCOc4c3)c5ccccc5"	0	""	""	1	1	395509	""
"700200"	"700200"	"5-Phenyl-2,3-bis(2-thienyl)thiophene"	"c1ccc(cc1)c2cc(c3cccs3)c(s2)c4cccs4"	0	""	""	1	1	395510	""
"700201"	"700201"	"2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene"	"CCCCc1ccc(C#CC#Cc2ccc(CCCC)s2)s1"	0	""	""	1	1	395511	""
"700202"	"700202"	"2-(2-Furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3occc3)c4cccs4"	0	""	""	2	2	395512	""
"700203"	"700203"	"2-Bromochalcone"	"Brc1ccccc1\C=C\C(=O)c2ccccc2"	0	""	""	2	2	5918180	""
"700205"	"700205"	""	"O=C(\C=C\c1ccsc1)c2ccccc2"	0	NA	NA	2	2	NA	""
"700206"	"700206"	""	"O=C(\C=C\c1ccccc1c2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"700208"	"700208"	""	"Clc1ccccc1\C=C\C2(OCCO2)c3ccccc3"	0	NA	NA	1	1	NA	""
"700211"	"700211"	"(E)-1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2cc(OC)cc(OC)c2)cc1"	0	""	""	2	2	5470362	""
"700213"	"700213"	"4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione"	"O=C(CC(C(=O)c1cccs1)c2ccsc2)c3occc3"	0	""	""	1	1	395523	""
"700214"	"700214"	"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-3-ylbutane-1,4-dione"	"O=C(CC(C(=O)c1ccsc1)c2ccc3OCOc3c2)c4ccccc4"	0	""	""	1	1	395524	""
"700215"	"700215"	"2,4-Diphenyl-1-thiophen-3-ylbutane-1,4-dione"	"O=C(CC(C(=O)c1ccsc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	395525	""
"700221"	"700221"	"1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole"	"COc1ccc(cc1)n2c(cc(c3cccs3)c2c4cccs4)c5ccccc5"	0	""	""	1	1	395531	""
"700222"	"700222"	"X4145"	"c1csc(c1)c2ccsc2c3cccs3"	0	""	""	1	1	395532	""
"700224"	"700224"	"Q27121899"	"c1csc(c1)c2csc(c2)c3cccs3"	0	""	""	1	1	395533	""
"700225"	"700225"	"2,3:4,2-TErthiophene"	"c1csc(c1)c2cscc2c3cccs3"	0	""	""	1	1	395534	""
"700226"	"700226"	"Q27121895"	"c1csc(c1)c2ccc(s2)c3ccsc3"	0	""	""	2	1	395535	""
"700228"	"700228"	"4-(2-Thienyl)-2-(3-thienyl)thiophene"	"c1csc(c1)c2csc(c2)c3ccsc3"	0	""	""	2	1	395537	""
"700230"	"700230"	"Q27121894"	"c1cc(cs1)c2ccsc2c3ccsc3"	0	""	""	2	1	395539	""
"700231"	"700231"	"Q27121897"	"c1csc(c1)c2ccsc2c3ccsc3"	0	""	""	1	1	395540	""
"700232"	"700232"	"Y7O1CPR2TH"	"c1cc(cs1)c2cscc2c3ccsc3"	0	""	""	1	1	184440	""
"700243"	"700243"	"1-Methyl-3,5-bis(2-thienyl)-2-(3-thienyl)pyrrole"	"Cn1c(cc(c2cccs2)c1c3ccsc3)c4cccs4"	0	""	""	1	1	395550	""
"700244"	"700244"	"J3.529.118K"	"O=C(\C(=C\c1cccs1)\c2ccccc2)c3ccccc3"	0	""	""	1	1	5934664	""
"700245"	"700245"	"1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole"	"Cn1c(cc(c2ccccc2)c1c3cccs3)c4cccs4"	0	""	""	1	1	395552	""
"700252"	"700252"	"meso-2,6-diaminopimelyl-(D)-methyl ester-(L)-L-alanyl-D-..."	"COC(=O)C(N)CCCC(N)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc3cccc(c13)[N+](=O)[O-])C(=O)N"	0	""	""	2	2	54608848	""
"700261"	"700261"	"N'-[(E)-[(2S)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4ccccc4N2"	0	""	""	1	1	135505170	""
"700262"	"700262"	"N'-[(E)-[(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4cc5OCOc5cc4N2"	0	""	""	1	1	135505171	""
"700264"	"700264"	"N'-[(E)-[(2R)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide"	"COc1cccc(c1)[C@H]2C\C(=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)\c4ccccc4N2"	0	""	""	3	1	135505172	""
"700265"	"700265"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6,7-dihydro-6-(3-m..."	"COc1cccc(c1)[C@H]2CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	395559	""
"700266"	"700266"	"4(1H)-Quinolinone, 2-(3-chlorophenyl)-2,3-dihydro-6-(1-p..."	"Clc1cccc(c1)C2CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	395560	""
"700267"	"700267"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(3-fluorophenyl)..."	"Fc1cccc(c1)C2CC(=O)c3cc4OCOc4cc3N2"	0	""	""	2	2	395561	""
"700268"	"700268"	"4(1H)-Quinolinone, 2,3-dihydro-2-(3-methoxyphenyl)-6-(1-..."	"COc1cccc(c1)C2CC(=O)c3cc(ccc3N2)N4CCCC4"	0	""	""	2	2	395562	""
"700269"	"700269"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-(2-fluorophen..."	"Fc1ccccc1C2=CC(=S)c3cc4OCOc4cc3N2"	0	""	""	2	2	3910131	""
"700270"	"700270"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-[3-(dimethyla..."	"CN(C)c1cccc(c1)C2=CC(=S)c3cc4OCOc4cc3N2"	0	""	""	2	2	5168079	""
"700272"	"700272"	"6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1cnc2NC(=CC(=O)c2c1)c3sccc3C"	0	""	""	2	2	395566	""
"700274"	"700274"	"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)..."	"OC1C(Nc2cc3OCOc3cc2C1=O)c4ccccc4F"	0	""	""	2	2	395568	""
"700280"	"700280"	"4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol"	"CC1=CC(=O)Nc2c3C=CC(C)(C)Oc3ccc12"	0	""	""	2	2	395574	""
"700320"	"700320"	"tritert-butyl[?]triol"	"CC(C)(C)c1cc2COCc3cc(cc(COCc4cc(cc(COCc(c1)c2O)c4O)C(C)(C)C)c3O)C(C)(C)C"	0	""	""	1	1	395590	""
"700322"	"700322"	"trichloro[?]triol"	"Oc1c2COCc3cc(Cl)cc(COCc4cc(Cl)cc(COCc1cc(Cl)c2)c4O)c3O"	0	""	""	1	1	395592	""
"700323"	"700323"	"Acetic acid, 2,2',2''-[25,26,27-trihydroxy-7,15,23- trim..."	"COC(=O)CN1Cc2cc(C)cc(CN(CC(=O)OC)Cc3cc(C)cc(CN(CC(=O)OC)Cc4cc(C)cc(C1)c4O)c3O)c2O"	0	""	""	2	2	395593	""
"700325"	"700325"	"Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),2"	"COC(=O)CN1Cc2cc(C)cc(CN(CC(=O)OC)Cc3cc(C)cc(CN(CC(=O)OC)Cc4cc(C)cc(CN(CC(=O)OC)Cc5cc(C)cc(C1)c5O)c4O)c3O)c2O"	0	""	""	2	2	395595	""
"700332"	"700332"	"Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-"	"CCS(=O)C(=O)N(O)c1ccc(Cl)cc1"	0	""	""	1	1	395596	""
"700346"	"700346"	"(1s)-1-[3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-2,2-dimethyl-cyclobutyl]ethanol"	"C[C@H](O)C1CC(Cn2nnc3c(N)ncnc23)C1(C)C"	0	""	""	1	1	395601	""
"700349"	"700349"	"{(1r,3s)-3-[(2-Amino-6-chloro-9h-purin-9-yl)methyl]-1,2,2-trimethylcyclopentyl}methanol"	"CC1(C)[C@@H](Cn2cnc3c(Cl)nc(N)nc23)CC[C@@]1(C)CO"	0	""	""	1	1	395604	""
"700350"	"700350"	"2-Amino-9-{[(1s,3r)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}-9h-purin-6-ol"	"CC1(C)[C@@H](Cn2cnc3C(=O)NC(=Nc23)N)CC[C@@]1(C)CO"	0	""	""	1	1	135426587	""
"700351"	"700351"	"[(1r,3s)-3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol"	"CC1(C)[C@@H](Cn2nnc3c(N)ncnc23)CC[C@@]1(C)CO"	0	""	""	1	1	395606	""
"700361"	"700361"	"Pyrazine-2,3-dicarbonitrile, 5,6-bis(5-methyl-1,3,4-thia..."	"Cc1nnc(Sc2nc(C#N)c(nc2Sc3nnc(C)s3)C#N)s1"	0	""	""	2	2	395616	""
"700363"	"700363"	"Annamycin Liposomal"	""	0	NA	NA	2	2	NA	""
"700367"	"700367"	"Homohalichondrin B diacetate 19,26-tetraol"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@H]6[C@H](C)[C@H]7OC(=O)CC8CC[C@H]9OC%10[C@@H]%11OC%12C[C@@](CC[C@H]%13CC(O)(CO)[C@H](CC[C@H]%14C[C@@H](C)C(O)(CO)C(C[C@@H]7O[C@H]6C[C@H]5O4)O%14)O%13)(O[C@H]%10%12)O[C@H]%11[C@H]9O8)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(COC(=O)C)OC(=O)C"	0	""	""	2	2	5470371	""
"700368"	"700368"	"norhomohalichondrin B"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(CO)C[C@H]%16O[C@@H]1%15"	0	""	""	2	2	395619	""
"700369"	"700369"	"Homohalichondrin B diacetate 19,26-diketone"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=O)C[C@@H](C)C8=O)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(COC(=O)C)OC(=O)C"	0	""	""	2	2	395620	""
"700370"	"700370"	""	"COC(=O)C[C@H]1CC[C@@H]2OC3[C@@H]4OC5C[C@@](CC[C@H]6CC(=C)[C@H](CC[C@H]7C[C@@H](C)C(=C)C(C[C@@H]8O[C@H]9C[C@H]%10O[C@]%11(C[C@H]%10O[C@H]9[C@H](C)[C@H]8O)C[C@@H]%12O[C@]%13(C[C@H](C)[C@@H]%14O[C@@H]%15CC(O[C@@H]%15C[C@@H]%14O%13)C(O)CO)C[C@H](C)[C@@H]%12O%11)O7)O6)(O[C@H]35)O[C@H]4[C@H]2O1"	0	""	""	2	2	395621	""
"700371"	"700371"	"Homohalichondrin B aldehyde"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8=C)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C=O"	0	""	""	2	2	395622	""
"700373"	"700373"	"Homohalichondrin B 26-diol"	"C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@@]4(C[C@H]5O[C@@H]6[C@H](C[C@H]5O4)O[C@H]7CC8O[C@@H](CC[C@@H]9O[C@@H](CC[C@@]%10%11CC%12O[C@H]%13C(O[C@H]%14CC[C@H](CC(=O)O[C@@H]7[C@H]6C)O[C@@H]%14[C@@H]%13O%10)[C@H]%12O%11)CC9=C)C[C@@H](C)C8(O)CO)C[C@@H]3O2)O[C@H]%15C[C@H]%16OC(C[C@H]%16O[C@@H]1%15)C(O)CO"	0	""	""	2	2	395624	""
"700414"	"700414"	"Isoindolo[1,2-b]quinazolin-12-ol, 12-(4-chlorophenyl)-10..."	"OC1(N2Cc3ccccc3N=C2c4ccccc14)c5ccc(Cl)cc5"	0	""	""	2	1	395630	""
"700415"	"700415"	"6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol"	"OC1(N2CCCN=C2c3ccccc13)c4cccc(OCC=C)c4"	0	""	""	2	1	395631	""
"700417"	"700417"	"13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol"	"OC1(N2Cc3ccccc3CN=C2c4ccccc14)c5ccc(Cl)cc5"	0	""	""	2	1	395635	""
"700418"	"700418"	"LS-77867"	"OC1(N2CCN=C2c3ccccc13)c4ccc(cc4)c5ccccc5"	0	""	""	1	1	395636	""
"700420"	"700420"	"2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol"	"CC1(C)CN=C(N1)c2ccc3ccccc3c2O"	0	""	""	1	1	395638	""
"700421"	"700421"	""	"Oc1c(ccc2ccccc12)C3=N[C@H]4CCCC[C@@H]4N3"	0	NA	NA	2	1	NA	""
"700430"	"700430"	"2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione"	"CC1(N(CCCN2C(=O)c3ccccc3C2=O)C(=O)c4ccccc14)c5ccc(Cl)cc5"	0	""	""	1	1	395648	""
"700443"	"700443"	"7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-oc..."	"C(CCCCc1nnc2SCC(=Nn12)c3ccccc3)CCCc4nnc5SCC(=Nn45)c6ccccc6"	0	""	""	2	1	395661	""
"700447"	"700447"	"2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol"	"Oc1ccccc1c2nn3c(CCCCCCCCc4nnc5sc(nn45)c6ccccc6O)nnc3s2"	0	""	""	2	2	395665	""
"700455"	"700455"	"Quinoline-3,3,4,4-tetracarbonitrile, 2-(4-bromophenyl)-1..."	"Brc1ccc(cc1)C2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N"	0	""	""	2	2	395673	""
"700457"	"700457"	"2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile"	"CCOC1(OCC)N=C(N)C2(C#N)C1(C#N)C23C(=NN(C(C)C)C3=O)C"	0	""	""	1	1	395675	""
"700470"	"700470"	"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide"	"N\C(=C(\C#N)/C(=O)Nc1ccc(Cl)cc1)\N2CCCC2"	0	""	""	1	1	3005444	""
"700474"	"700474"	"4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile"	"O=C1N(C=NC(=C1C#N)N2CCOCC2)c3ccccc3"	0	""	""	1	1	395690	""
"700497"	"700497"	"9H-Azetidino[1,2-a]pyrrolo[3,2-c]azepin-8(7H)-one, 3,4,5..."	"CSC12C(Oc3ccccc3)C(=O)N1CC(C)(C)Cc4c2cc(C)n4c5ccc(I)cc5"	0	""	""	2	2	395702	""
"700498"	"700498"	"7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one"	"CSC12C(Oc3ccccc3)C(=O)N1CC(C)(C)Cc4c2cc(C)n4c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	395703	""
"700500"	"700500"	"2-Methylaminoestra-2,5(10)-dien-1,4,17-trione"	"CNC1=CC(=O)C2=C([C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2)C1=O"	0	NA	NA	2	2	NA	""
"700501"	"700501"	"10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-dien-3-one"	"CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(O)[C@H]3CC[C@]12C"	0	NA	NA	2	2	NA	""
"700502"	"700502"	"4'-Phenylthio-avarone"	"C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)CC3=CC(=O)C(=CC3=O)Sc4ccccc4"	0	NA	NA	1	1	NA	""
"700503"	"700503"	"4'-Isobutylthio-avarone"	"CC(C)CSC1=CC(=O)C(=CC1=O)C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCC=C3C"	0	NA	NA	2	1	NA	""
"700504"	"700504"	"3',4'-Ethylendithio-avarone"	"C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)CC3=CC(=O)C4SCCSC4C3=O"	0	""	""	1	1	6712611	""
"700515"	"700515"	"Dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate"	"COP(=O)(OC)OCN(C)CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C"	0	""	""	1	1	5470378	""
"700520"	"700520"	"1,8-Naphthyridine-3-carboxylic acid, 2-chloro-7-[(1-oxop..."	"CCCCC(=O)Nc1ccc2cc(C(=O)OC)c(Cl)nc2n1"	0	""	""	2	2	395721	""
"700524"	"700524"	"6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene"	"Brc1ccc2CCc3cc4cc5CCc6ccc(Br)cc6c5nc4nc3c2c1"	0	""	""	1	1	395725	""
"700531"	"700531"	"6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene"	"Brc1ccc2CCc3cc4CCc5ccc(Br)cc5c4nc3c2c1"	0	""	""	1	1	395732	""
"700535"	"700535"	"Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate"	"COC(=O)c1cc(cc(c1)c2ccc3CCc4c(nc5c(CCc6ccc(cc56)c7cc(cc(c7)C(=O)OC)C(=O)OC)c4c8ccc(OC)cc8)c3c2)C(=O)OC"	0	""	""	1	1	395735	""
"700536"	"700536"	"3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxo-propanenitrile"	"Brc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(Br)cc5)cc(OCc6ccc(Br)cc6)c4)cc(c3)C(=O)CC#N)cc(OCc7ccc(Br)cc7)c2)cc1"	0	""	""	1	1	395736	""
"700537"	"700537"	"2,2-Dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide"	"CC(C)(C)C(=O)Nc1cccc(n1)c2ccc[nH]2"	0	""	""	2	1	395737	""
"700545"	"700545"	"1H-Phenanthro[9,10-d]imidazole, 4,11-dimethoxy-"	"COc1cccc2c3cccc(OC)c3c4[nH]cnc4c12"	0	""	""	2	2	395745	""
"700546"	"700546"	"4,5-Bis(2-methoxyphenyl)-1H-imidazole"	"COc1ccccc1c2nc[nH]c2c3ccccc3OC"	0	""	""	1	1	395746	""
"700547"	"700547"	"4-Methoxy-3H-phenanthro[9,10-d]imidazole"	"COc1cccc2c3ccccc3c4nc[nH]c4c12"	0	""	""	2	1	395747	""
"700549"	"700549"	"8-Quinolinone, 2-chloro-5,6,7,8-tetrahydro-7-(phenylmeth..."	"Clc1ccc2CC\C(=C/c3ccccc3)\C(=O)c2n1"	0	""	""	2	2	5470385	""
"700552"	"700552"	"4-Quinolinone, 6-bromo-1,2,3,4-tetrahydro-1-[(4-methylph..."	"Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3cc(Br)ccc23"	0	""	""	2	2	395752	""
"700559"	"700559"	"Ptilomycalin A format salt"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	395755	""
"700582"	"700582"	"[1,2,3,4]tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit..."	"CCCCN1C(=S)N(CCCC)C2=C1SSSSC3=C2N(CCCC)C(=S)N3CCCC"	0	""	""	2	2	395763	""
"700583"	"700583"	"[1,4,2,3]-Dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-d..."	"CCCCN1C(=S)N(CCCC)C2=C1S[Se][Se]SC3=C2N(CCCC)C(=S)N3CCCC"	0	""	""	2	2	395764	""
"700584"	"700584"	"[1,4,2,3]-Dithiaselenoca[5,6-d:7,8-d']diimidazole- 2,9-d..."	"CCCCN1C(=[Se])N(CCCC)C2=C1S[Se][Se]SC3=C2N(CCCC)C(=[Se])N3CCCC"	0	""	""	2	2	395765	""
"700642"	"700642"	"1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea"	"Cn1nc(cc1NC(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(c5ccccc45)[N+](=O)[O-])C(=O)N6CC(CCl)c7c6cc(c8ccccc78)[N+](=O)[O-]"	0	""	""	1	1	395798	""
"700643"	"700643"	"[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone"	"COc1cc(OCCN(C)C)c2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	395799	""
"700644"	"700644"	"[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4ccc(N)cc34"	0	""	""	2	2	395800	""
"700648"	"700648"	"Stellettamide B"	"C[C@H](CCC=C(C)C)\C=C\C=C(/C)\C(=O)CC[C@@H]1CC[N@+]2(C)CCCC[C@H]12"	0	NA	NA	1	1	NA	""
"700649"	"700649"	"Tacacoside A2"	"CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)C[C@@H]5C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)[C@@](C)(CO)[C@@H]9CC[C@@]8(C)[C@]7(C)CC6)C(O)C3OC%12OCC(O)C(O)C%12O)C2O)C(O)C(O)C1O"	0	NA	NA	2	1	NA	""
"700650"	"700650"	"Tacacoside B1"	"CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(O)COC4OC(=O)[C@]56CCC(C)(C)C[C@@H]5C7=CCC8[C@@]9(C)C[C@H](O)[C@H](OC%10OC(CO)C(O)C(O)C%10O)[C@@](C)(CO)[C@@H]9CC[C@@]8(C)[C@]7(C)CC6)C(O)C3OC%11OCC(O)(CO)C%11O)C2O)C(O)C(O)C1O"	0	NA	NA	2	1	NA	""
"700657"	"700657"	"Trapoxin B"	"O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)NC1=O)[C@@H]5CO5"	0	""	""	2	2	395803	"133155905"
"700693"	"700693"	"Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihyd..."	"COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)c2cc1OC"	0	""	""	2	2	395805	""
"700694"	"700694"	"6-Methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine"	"COc1ccc2nc3[nH]nc(N)c3nc2c1"	0	""	""	2	2	395806	""
"700701"	"700701"	"Bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone"	"Oc1ccccc1\C=N\c2ccc(cc2)C(=O)c3ccc(cc3)\N=C\c4ccccc4O"	0	""	""	1	1	395813	""
"700715"	"700715"	"[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate"	"CCN(CC)C(=S)SNCc1ccc(cc1)S(=O)(=O)N"	0	""	""	2	1	395823	""
"700718"	"700718"	"LS-158852"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nnc(s2)S(=O)(=O)N"	0	""	""	1	1	395826	""
"700722"	"700722"	"2-[[2-(p-Tolylsulfonylcarbamoylamino)acetyl]amino]acetic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O"	0	""	""	2	1	395830	""
"700844"	"700844"	"6,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid"	"Oc1c(Cl)c(Cl)c(c2cccnc12)S(=O)(=O)O"	0	""	""	3	2	395841	""
"700850"	"700850"	"Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C)C(=S)n2c1nc3ccccc23"	0	""	""	1	1	395847	""
"700851"	"700851"	"Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(CC)C(=O)n2c1nc3ccccc23"	0	""	""	1	1	395848	""
"700853"	"700853"	"Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C(=S)n2c1nc3ccccc23)c4ccccc4"	0	""	""	2	1	395850	""
"700854"	"700854"	"Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate"	"CCOC(=O)C1=CN(C(=S)n2c1nc3ccccc23)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	395851	""
"700861"	"700861"	"4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro-"	"Clc1sc(Cl)c2C(=O)C=Cc12"	0	""	""	2	2	395859	""
"700862"	"700862"	"4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro- 5,6-dihydr..."	"OC1CC(=O)c2c(Cl)sc(Cl)c12"	0	""	""	2	2	395860	""
"700892"	"700892"	"Pinnatin B"	"CC(=O)O[C@H]1[C@@H](CCC2=C[C@H](OC2=O)[C@@]3(C)C[C@@H]3C(=O)\C=C(\C)/C1=O)C(=C)C"	0	""	""	2	2	5470399	""
"700893"	"700893"	"Austocystin D"	"CC(C)(O)CCc1ccc(O)c2C(=O)c3c(O)c4c(O[C@H]5OC=C[C@@]45O)cc3Oc12"	0	""	""	2	2	5470400	"55256536"
"700906"	"700906"	"[1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]p..."	"CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCS(=O)(=O)OC)cn2C)cn1C"	0	""	""	2	2	395869	""
"700911"	"700911"	"5,13,14,15-Tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-one"	"COc1ccc2c(c1)C(=O)CCc3cc(OC)c(OC)c(OC)c23"	0	""	""	2	2	395870	""
"700913"	"700913"	"N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide"	"COc1c2C3=CC=C(SC)C(=O)C=C3[C@H](CCc2cc4nc5ccccc5nc14)NC(=O)C"	0	""	""	2	2	395872	""
"700914"	"700914"	"N-[(17S)-12-Methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide"	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c4nc5ccccc5nc14)SC"	0	""	""	2	2	395873	""
"700915"	"700915"	"4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benz"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)C(=O)N[C@H]5CCc6cc(OC)c(OC)c(OC)c6C7=CC=C(SC)C(=O)C=C57)c8cc9OCOc9cc28"	0	""	""	1	1	395874	""
"700970"	"700970"	"Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate"	"COC(=O)C1(C)OC(=NC1(C(=O)OC)C(=O)OC)C"	0	""	""	2	1	395875	""
"700971"	"700971"	"5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate"	"CCOC(=O)C1(OC(=NC1(C(=O)OC)C(=O)OC)C)C(=O)OCC"	0	""	""	2	1	395876	""
"700985"	"700985"	"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole-6-carboxylate"	"CCOC(=O)c1ccc2c(c1)nc3CSC(c4c(F)cccc4F)n23"	0	""	""	1	1	395890	""
"700989"	"700989"	"1-(2,6-Dichlorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline"	"Clc1cccc(Cl)c1C2SCC3=Nc4ccccc4CN23"	0	""	""	1	1	395894	""
"700993"	"700993"	"1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline"	"C1SC(N2Cc3ccccc3N=C12)c4ccccc4"	0	""	""	1	1	395898	""
"701002"	"701002"	"1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	"Fc1cccc(F)c1C2SCc3nc4ccc(cc4n23)C(=O)c5ccccc5"	0	""	""	2	1	395907	""
"701004"	"701004"	"1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole"	"Clc1cccc(Cl)c1C2SCc3nc4ccc(cc4n23)C(=O)c5ccccc5"	0	""	""	2	2	395909	""
"701008"	"701008"	"1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole"	"Fc1ccc2nc3CSC(c4c(Cl)cccc4Cl)n3c2c1"	0	""	""	1	1	395913	""
"701012"	"701012"	"NE42197"	"Nc1c(nnc2ccccc12)C#N"	0	""	""	1	1	395917	""
"701013"	"701013"	"(4-Aminocinnolin-3-yl)-phenyl-methanone"	"Nc1c(nnc2ccccc12)C(=O)c3ccccc3"	0	""	""	1	1	395918	""
"701014"	"701014"	"2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile"	"Nc1ccccc1Sc2nc(N)c(C#N)c(c3ccccc3)c2C#N"	0	""	""	1	1	395919	""
"701016"	"701016"	"DNDI1417002"	"Nc1nc2[nH]nc(N)c2c(c3ccccc3)c1C#N"	0	""	""	2	2	395921	""
"701017"	"701017"	"STK335726"	"Nc1nc2[nH]nc(N)c2c(c3ccc(Cl)cc3)c1C#N"	0	""	""	2	2	395922	""
"701018"	"701018"	"2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile"	"COc1ccc(cc1)c2c(C#N)c(N)nc(Sc3ccccc3N)c2C#N"	0	""	""	2	2	395923	""
"701019"	"701019"	"11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile"	"Cc1cc(C)n2nc3nc(N)c(C#N)c(c4ccccc4)c3c2n1"	0	""	""	2	1	395924	""
"701021"	"701021"	"8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile"	"Oc1nc2nn3c4ccc5ccccc5c4nnc3c2c(c6ccc(Cl)cc6)c1C#N"	0	""	""	2	1	135426590	""
"701022"	"701022"	"6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile"	"Nc1c(nnc2c3c(c4ccc(Cl)cc4)c(C#N)c(O)nc3nn12)C#N"	0	""	""	2	2	135426591	""
"701023"	"701023"	"Aceanthryleno[1,2-b]quinoxaline, 12-nitro-"	"[O-][N+](=O)c1ccc2nc3c4cccc5cc6ccccc6c(c3nc2c1)c45"	0	""	""	2	2	395928	""
"701024"	"701024"	"3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione"	"O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccc7cc8ccccc8c(c5nc34)c67"	0	""	""	2	2	395929	""
"701025"	"701025"	"Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-"	"NN=C1c2ccccc2C(=C(C#N)C#N)c3ccccc13"	0	""	""	2	1	395930	""
"701027"	"701027"	"N-[(E)-(1-Oxoaceanthrylen-2-ylidene)amino]benzamide"	"O=C(N\N=C/1\C(=O)c2c3ccccc3cc4cccc1c24)c5ccccc5"	0	""	""	2	1	9572075	""
"701028"	"701028"	"3-Chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide"	"Clc1cccc(c1)C(=O)N\N=C/2\C(=O)c3c4ccccc4cc5cccc2c35"	0	""	""	1	1	5955340	""
"701029"	"701029"	"4-Methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide"	"Cc1ccc(cc1)C(=O)N\N=C/2\C(=O)c3c4ccccc4cc5cccc2c35"	0	""	""	2	2	9572076	""
"701031"	"701031"	"(4-Aminocinnolin-3-yl)-(2,4,6-trimethylphenyl)methanone"	"Cc1cc(C)c(C(=O)c2nnc3ccccc3c2N)c(C)c1"	0	""	""	1	1	395936	""
"701069"	"701069"	"CBDivE_005484"	"CCN(CC)c1ccc2C=C(C(=O)N)C(=N)Oc2c1"	0	""	""	1	1	395945	""
"701074"	"701074"	"STK805697"	"CCCCCCc1cc2C=C(C(=O)Nc3ccccc3)C(=N)Oc2cc1O"	0	""	""	2	2	135426592	""
"701075"	"701075"	"2-Imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)Nc3ccccc3)C(=N)Oc12"	0	""	""	1	1	395951	""
"701089"	"701089"	"N-Cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide"	"C=CCc1cccc2C=C(C(=O)NC3CCCCC3)C(=N)Oc12"	0	""	""	1	1	395965	""
"701097"	"701097"	"IFLab1_004437"	"COc1ccc(cc1)\N=C/2\Oc3ccccc3C=C2C(=O)N"	0	""	""	1	1	395973	""
"701100"	"701100"	"2H-1-Benzopyran-2-one, 6-chloro-3-[imidazo[1,2-a]pyridin..."	"Clc1ccc2OC(=O)C(=Cc2c1)c3cn4ccccc4n3"	0	""	""	2	2	395976	""
"701101"	"701101"	"STK075040"	"Clc1ccc2nc(cn2c1)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	395977	""
"701102"	"701102"	"2H-1-Benzopyran-2-one, 6-chloro-3-[6-chloroimidazo[1,2-a..."	"Clc1ccc2OC(=O)C(=Cc2c1)c3cn4cc(Cl)ccc4n3"	0	""	""	2	2	395978	""
"701103"	"701103"	"ChemDiv3_000752"	"O=C1Oc2ccccc2C=C1c3cn4c5ccccc5sc4n3"	0	""	""	1	1	395979	""
"701104"	"701104"	"F0803-0097"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4c5ccccc5sc4n3"	0	""	""	2	2	5470407	""
"701105"	"701105"	"STK057163"	"COc1ccc2OC(=O)C(=Cc2c1)c3cc4c5cc(OC)ccc5OC(=O)c4c(C)n3"	0	""	""	1	1	395981	""
"701108"	"701108"	"IFLab1_000623"	"Fc1ccc(Nc2nc(cs2)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	2	1	395984	""
"701109"	"701109"	"3-[2-[(3,5-Dichlorophenyl)amino]thiazol-4-yl]chromen-2-one"	"Clc1cc(Cl)cc(Nc2nc(cs2)C3=Cc4ccccc4OC3=O)c1"	0	""	""	2	2	395985	""
"701111"	"701111"	"2-Benzooxazol-2-yl-benzo[f]chromen-3-one"	"O=C1Oc2ccc3ccccc3c2C=C1c4oc5ccccc5n4"	0	""	""	2	1	395987	""
"701114"	"701114"	"STL368389"	"COc1ccc2OC(=O)C(=Cc2c1)c3nc4ccccc4s3"	0	""	""	2	1	395990	""
"701115"	"701115"	"STK863043"	"O=C1Oc2ccc3ccccc3c2C=C1c4nc5ccccc5s4"	0	""	""	2	1	395991	""
"701169"	"701169"	"(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride"	"Nc1ncnc2c1ncn2[C@@H]3C[C@H](NO)[C@@H](O)[C@H]3O"	0	""	""	1	1	395996	""
"701186"	"701186"	"[(8R)-13,14,15-Trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate"	"COc1cc2CC[C@@H](OC(=O)c3ccccc3)c4cc(SC)ccc4c2c(OC)c1OC"	0	""	""	2	2	396011	""
"701187"	"701187"	"1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(5-methyl-2-thien..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(C)s3"	0	""	""	2	2	5470409	""
"701188"	"701188"	"1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(3-methyl-2-thien..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3sccc3C"	0	""	""	2	2	5470410	""
"701189"	"701189"	"7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cccs3"	0	""	""	2	2	5470411	""
"701190"	"701190"	"7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccsc3"	0	""	""	2	2	5470412	""
"701191"	"701191"	"7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3cc(C)sc3C"	0	""	""	2	2	5470413	""
"701192"	"701192"	"7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(Cl)s3"	0	""	""	2	2	5470414	""
"701193"	"701193"	"7-Amino-2-(5-bromo-2-thienyl)-1h-1,8-naphthyridin-4-one"	"Nc1ccc2C(=O)C=C(Nc2n1)c3ccc(Br)s3"	0	""	""	2	2	396018	""
"701194"	"701194"	"7-Amino-2-(2-thienyl)-1h-1,8-naphthyridin-4-one"	"Nc1ccc2C(=O)C=C(Nc2n1)c3cccs3"	0	""	""	2	2	396019	""
"701208"	"701208"	"1-N,4-N-Bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide"	"CN1N(C(=O)C(=C1C)\C=N/NC(=S)N2CCN(CC2)C(=S)N\N=C/C3=C(C)N(C)N(C3=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	6371863	""
"701225"	"701225"	"(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5cc(OC)c(OC)c(OC)c5)\C4=O)[C@@H]3CCc2c1"	0	""	""	1	1	5470418	""
"701226"	"701226"	"(8R,9S,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5ccc(OC)c(OC)c5)\C4=O)[C@@H]3CCc2c1"	0	""	""	1	1	5470419	""
"701228"	"701228"	"(8R,9S,13S,14S,16E)-13-Methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(OCCN6CCCC6)ccc5[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	5470421	""
"701303"	"701303"	"Rubrolide A"	"Oc1c(Br)cc(\C=C\2/OC(=O)C=C2c3cc(Br)c(O)c(Br)c3)cc1Br"	0	""	""	1	1	6055630	""
"701312"	"701312"	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6-fluoro..."	"COc1ccc2c(c1)nc3CSC(c4c(F)cccc4Cl)n23"	0	""	""	2	2	396040	""
"701314"	"701314"	"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichloropheny..."	"COc1ccc2c(c1)nc3CSC(c4c(Cl)cccc4Cl)n23"	0	""	""	2	2	396042	""
"701371"	"701371"	"6-[4-[(7-Chloro-4-quinolyl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1h-pyridine-3-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	396044	""
"701372"	"701372"	"6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one"	"COc1ccc(cc1)C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	396045	""
"701373"	"701373"	"3-Pyridinecarbonitrile, 6-[4-[(7-chloro-4-quinolinyl)ami..."	"COc1ccc(C2=C(C#N)C(=O)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)c6ccccc16"	0	""	""	2	2	396046	""
"701374"	"701374"	"2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]pyridine-3-carbonitrile"	"Clc1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	1	1	396047	""
"701375"	"701375"	"3-Pyridinecarbonitrile, 6-[4-[(7-chloro-4-quinolinyl)ami..."	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	""	""	3	2	396048	""
"701378"	"701378"	"3-Pyridinecarbonitrile, 4-(4-chlorophenyl)- 6-[4-[[7-(tr..."	"FC(F)(F)c1ccc2c(Nc3ccc(cc3)C4=CC(=C(C#N)C(=O)N4)c5ccc(Cl)cc5)ccnc2c1"	0	""	""	2	2	396051	""
"701382"	"701382"	"2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile"	"FC(F)(F)c1ccc2c(Nc3ccc(cc3)C4=CC(=C(C#N)C(=N)N4)c5ccc(Cl)cc5)ccnc2c1"	0	""	""	1	1	396055	""
"701383"	"701383"	"2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]pyridine-3-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=N)NC(=C2)c3ccc(Nc4ccnc5cc(ccc45)C(F)(F)F)cc3"	0	""	""	2	2	396056	""
"701389"	"701389"	"1,3-Dioxolo[4,5-g]quinoline-5-carboxylic acid, 6-(2-fluo..."	"CC(C)(C)OC(=O)N1C(=CC(=O)c2cc3OCOc3cc12)c4ccccc4F"	0	""	""	2	2	396059	""
"701554"	"701554"	"Seliciclib"	"CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1"	0	"PK:STK,CDK,CDK2,CDK7,CDK9"	"Clinical trial"	1	1	160355	"186692466"
"701555"	"701555"	"2,3-Dihydro-1,2-syn-3-[phenylseleno]brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]c3ccccc3"	0	""	""	2	2	10982991	""
"701556"	"701556"	"2,3-Dihydro-1,2-syn-3-[benzylseleno]brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]Cc3ccccc3"	0	""	""	2	2	10874069	""
"701557"	"701557"	"2,3-Dihydro-1,2-syn-3-[4'-chlorophenylseleno]brefeldin A"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)[Se]c3ccc(Cl)cc3"	0	""	""	2	1	10906804	""
"701561"	"701561"	"8H-5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epo..."	"COc1cc(cc(OC)c1OC)[C@@]23OC[C@H]4[C@@H]2CO[C@H]4c5cc6OCOc6cc35"	0	""	""	2	2	6712626	""
"701564"	"701564"	"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-11-methanol,..."	"COc1cc(cc(OC)c1OC)C23OCC(Cc4cc5OCOc5cc24)C3CO"	0	""	""	2	1	396064	""
"701566"	"701566"	"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate"	"COc1ccc(cc1OC)C23OCC(Cc4cc(OC)c(OC)cc24)C3COC(=O)C"	0	""	""	1	1	396066	""
"701570"	"701570"	"Androst-5-en-17-one, 3-acetyloxy-16-phenylmethylene-, 17..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C\c5ccccc5)\C\4=N/O)[C@@H]3CC=C2C1"	0	""	""	2	2	9572078	""
"701573"	"701573"	"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(diet..."	"CCN(CC)CCO\N=C/1\CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCC2=C1"	0	""	""	2	1	6520039	""
"701574"	"701574"	"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-py..."	"C[C@]12CC\C(=N\OCCN3CCCC3)\C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C"	0	""	""	2	1	6520040	""
"701575"	"701575"	"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-pi..."	"C[C@]12CC\C(=N\OCCN3CCCCC3)\C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C"	0	""	""	2	1	6520042	""
"701587"	"701587"	"Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate"	"CCOC(=O)C12CCC(=O)N1N(C)c3ncccc3N2"	0	""	""	1	1	396077	""
"701590"	"701590"	"Paullone Analog 7"	"FC(F)(F)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	396079	""
"701592"	"701592"	"Paullone Analog 31"	"COc1cc2NC(=O)Cc3c([nH]c4ccccc34)c2cc1OC"	0	""	""	1	1	396081	""
"701593"	"701593"	"2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy- 6-meth..."	"CCC(C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H](O)[C@H](C)[C@@]1(O)C(=O)\C=C\C"	0	""	""	2	2	21672237	""
"701598"	"701598"	"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3F)N4C=C(C)C(=O)NC4=O)C(O)C2O"	0	""	""	3	2	396086	""
"701599"	"701599"	"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(COP(=O)(O)OCC3OC(CC3OC(=O)C)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	396087	""
"701616"	"701616"	"6H-Pyridazino[4,5-b]carbazol-1-amine, N-[3-(diethylamino..."	"CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccc(OC)cc4c3cc12"	0	""	""	2	2	396092	""
"701617"	"701617"	"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine"	"CCN(CC)CCCNc1nncc2cc3c4cc(OC)ccc4[nH]c3c(C)c12"	0	""	""	2	2	396093	""
"701635"	"701635"	"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCCC3)C(=O)OCC)c4ccc(OC)cc4)N5CCCC5"	0	""	""	1	1	54688722	""
"701638"	"701638"	"Ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C(=O)OCC)c4ccc(Cl)c(c4)[N+](=O)[O-])N5CCOCC5"	0	""	""	1	1	54680275	""
"701639"	"701639"	"Ethyl 5-[(2,6-dichlorophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C(=O)OCC)c4c(Cl)cccc4Cl)N5CCOCC5"	0	""	""	2	1	54688724	""
"701654"	"701654"	""	"C[C@@H]1[C@H](OC1=O)[C@H]2COC(C)(C)O2"	0	NA	NA	1	1	NA	""
"701655"	"701655"	""	"COC(=O)[C@]12CSC[C@H]1C[C@@H](N2)c3ccc(cc3)N(C)C"	0	NA	NA	2	1	NA	""
"701656"	"701656"	"3,7-Dimethyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"CN1N=Nc2c(C#N)c(C)c(c3ccccc3)n2C1=O"	0	""	""	1	1	396108	""
"701657"	"701657"	"7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4ccccc4"	0	""	""	2	2	396109	""
"701658"	"701658"	"Ethyl 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate"	"CCOC(=O)c1c(C)c(c2ccccc2)n3C(=O)N(N=Nc13)c4ccccc4"	0	""	""	2	2	396110	""
"701659"	"701659"	"3-(4-Methoxyphenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"COc1ccc(cc1)N2N=Nc3c(C#N)c(C)c(c4ccccc4)n3C2=O"	0	""	""	2	2	396111	""
"701660"	"701660"	"Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C(=O)n2c3ccccc13)c4ccc(OC)cc4"	0	""	""	2	1	396112	""
"701661"	"701661"	"Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C(=O)n2c3ccccc13)c4ccccc4"	0	""	""	2	2	396113	""
"701662"	"701662"	"Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate"	"CCOC(=O)c1c2N=NN(C)C(=O)n2c3ccccc13"	0	""	""	2	1	396114	""
"701664"	"701664"	"2,6-Ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol"	"CN(C)CCCN1\C(=N\c2ccccc2)\SC=C1c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	396117	""
"701665"	"701665"	"ChemDiv3_001104"	"COc1ccc(cc1)C2=CS\C(=N/c3ccccc3)\N2CCCN(C)C"	0	""	""	1	1	396118	""
"701666"	"701666"	"Benzenamine, N-[4-(4-chlorophenyl)-3-(2-propenyl)- 2(3H)..."	"COc1ccccc1\N=C\2/SC=C(N2CC=C)c3ccc(Cl)cc3"	0	NA	NA	2	2	NA	""
"701667"	"701667"	""	"COc1ccc(cc1)C2=CS\C(=N/c3ccccc3)\N2CC(O)c4ccc(cc4)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"701670"	"701670"	"CBDivE_014298"	"CN(C)CCCN1\C(=N\c2ccccc2)\SC=C1c3ccc(Br)cc3"	0	""	""	1	1	396126	""
"701679"	"701679"	""	"CC1(C)C(N)C2(CN)CCC1C2"	0	NA	NA	2	1	NA	""
"701736"	"701736"	"C28H19Cl2N3O2S"	"Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(c4ccccc4Cl)c1C(=O)Nc5ccccc5"	0	""	""	3	2	396188	""
"701743"	"701743"	"1,3-Bis[2-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-1h-indol-5-yl]urea"	"Nc1cc2N(CC(CCl)c2c3ccccc13)C(=O)c4cc5cc(NC(=O)Nc6ccc7[nH]c(cc7c6)C(=O)N8CC(CCl)c9c8cc(N)c%10ccccc9%10)ccc5[nH]4"	0	""	""	2	2	396192	""
"701744"	"701744"	"1,3-Bis[5-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea"	"Cn1nc(cc1NC(=O)Nc2cc(nn2C)C(=O)N3CC(CCl)c4c3cc(N)c5ccccc45)C(=O)N6CC(CCl)c7c6cc(N)c8ccccc78"	0	""	""	1	1	396193	""
"701745"	"701745"	"Methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride"	"COC(=O)c1cc2c3C(CCl)CN(C(=O)c4cc5cc(OC)c(OC)c(OC)c5[nH]4)c3cc(NCCN)c2[nH]1"	0	""	""	2	2	396194	""
"701747"	"701747"	"N-[5-[(Z)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide"	"CC(=O)Nc1cc(\C=C/C(=O)N2CC(CCl)c3c2cc(N)c4ccccc34)n(C)n1"	0	""	""	2	1	5470439	""
"701748"	"701748"	"Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate"	"CC(=O)O.CC(=O)[O-].Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc7ccc([N+](=O)[O-])n7C)c3nc12"	0	""	""	2	2	396198	""
"701749"	"701749"	"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride"	"CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc5ccc(cc5)[N+](=O)[O-])c6ccccc46"	0	""	""	2	1	396200	""
"701755"	"701755"	"2,3-Dihydro-1,2-syn-3-[methylseleno]brefeldin A"	"C[Se][C@@H]1CC(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O"	0	""	""	2	2	10970813	""
"701758"	"701758"	"STK008852"	"c1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccccc45"	0	""	""	2	2	396206	""
"701759"	"701759"	"2,4-Bis(6-bromo-1H-indol-3-yl)thiazole"	"Brc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5cc(Br)ccc45"	0	""	""	2	2	396207	""
"701812"	"701812"	"12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dim..."	"CCC[n+]1cc2cc(OC)c(OC)cc2c3Cc4cc5OCOc5cc4c13"	0	""	""	3	3	11811448	""
"701817"	"701817"	"3-Hydroxy-16-(3,4,5-trimethoxybenzylidene)-17-oxo-1,3,5(..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	5470445	""
"701822"	"701822"	"3-(2-Pyrrolidinoethoxy)-16-(p-N,N-dimethylbenzylidene)-1..."	"CN(C)c1ccc(\C=C\2/C[C@H]3[C@@H]4CCc5cc(OCCN6CCCC6)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1"	0	""	""	2	1	5470450	""
"701852"	"701852"	"Vorinostat"	"ONC(=O)CCCCCCC(=O)Nc1ccccc1"	0	"HDAC"	"FDA approved"	9	4	NA	"149647789"
"701973"	"701973"	"4-N-Diphenoxyphosphoryl-1-N-(10H-indolo[3,2-b]quinolin-11-yl)-2-methoxybenzene-1,4-diamine"	"COc1cc(NP(=O)(Oc2ccccc2)Oc3ccccc3)ccc1Nc4c5ccccc5nc6c7ccccc7[nH]c46"	0	""	""	2	2	396276	""
"701984"	"701984"	"4H,9H-Naphtho[2,3-b]furan-2-carboxaldehyde, 4,9-dioxo-"	"O=Cc1oc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	2	2	396286	""
"701985"	"701985"	"Naphtho[2,3-b]furan-4,9-dione, 2-bromo-"	"Brc1oc2C(=O)c3ccccc3C(=O)c2c1"	0	""	""	2	2	396287	""
"701986"	"701986"	"1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione"	"CCCCN1C(=O)c2c(Br)sc(Br)c2C1=O"	0	""	""	1	1	396288	""
"701990"	"701990"	"1-Oxaspiro[4,5]deca-6,9-diene-2,8-dione"	"O=C1CCC2(O1)C=CC(=O)C=C2"	0	NA	NA	1	1	NA	""
"701992"	"701992"	"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn..."	"COC(=O)C#CC1(O)C=CC(=O)C=C1"	0	""	""	2	2	396292	""
"701993"	"701993"	"7-(1h-Pyrrol-2-yl)-2,1,3-benzothiadiazole"	"c1c[nH]c(c1)c2cccc3nsnc23"	0	""	""	1	1	396293	""
"701994"	"701994"	"AK123225"	"c1csc(c1)c2ccc(c3cccs3)c4nsnc24"	0	""	""	2	2	396294	""
"701995"	"701995"	"7-[5-(2-Thienyl)-2-thienyl]-2,1,3-benzothiadiazole"	"c1csc(c1)c2ccc(s2)c3cccc4nsnc34"	0	""	""	1	1	396295	""
"702015"	"702015"	"1H-Indole-2-carboxylic acid, 2,3,5,11a-tetrahydro-7-meth..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OC(=O)c4cc5ccccc5[nH]4"	0	""	""	2	2	396302	""
"702030"	"702030"	"4(3H)-Quinazolinone, 2,2'-thiobis[3-amino-"	"NN1C(=Nc2ccccc2C1=O)SC3=Nc4ccccc4C(=O)N3N"	0	""	""	2	1	396306	""
"702045"	"702045"	"2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(3,4-dimethoxy..."	"COc1ccc(\C=C\C(=O)c2cccc(n2)C(=O)\C=C\c3ccc(OC)c(OC)c3)cc1OC"	0	""	""	2	2	5470456	""
"702046"	"702046"	"(E)-3-(2-Thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one"	"O=C(\C=C\c1cccs1)c2cccc(n2)C(=O)\C=C\c3cccs3"	0	""	""	2	2	5470457	""
"702047"	"702047"	"2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(2-furanyl)-"	"O=C(\C=C\c1occc1)c2cccc(n2)C(=O)\C=C\c3occc3"	0	""	""	2	2	5470458	""
"702104"	"702104"	"N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide"	"C\C(=C/c1ccccc1)\C(=O)NCc2ccc(cc2)C(=O)NCCc3ccccc3"	0	""	""	2	2	5470459	""
"702105"	"702105"	"Methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate"	"COC(=O)[C@@H](NC(=O)c1ccc(CNC(=O)\C(=C\c2ccccc2)\C)cc1)C(C)C"	0	""	""	1	1	5470460	""
"702106"	"702106"	"Methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate"	"COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)\C(=C\c2ccccc2)\C)cc1"	0	""	""	1	1	5470461	""
"702108"	"702108"	"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(CNC(=O)\C(=C\c4ccccc4)\C)cc3"	0	""	""	1	1	5470462	""
"702110"	"702110"	"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3ccc(cc3)c4ccccc4)cc2"	0	""	""	1	1	5470464	""
"702113"	"702113"	"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3ccc(OCc4ccccc4)cc3)cc2"	0	""	""	2	2	5470467	""
"702114"	"702114"	"N-Benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3ccc(OCc4ccccc4)cc3"	0	""	""	1	1	5470468	""
"702116"	"702116"	"N-Benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3cccc(Oc4ccccc4)c3"	0	""	""	1	1	5470470	""
"702117"	"702117"	"Methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3cccc(Oc4ccccc4)c3)cc2"	0	""	""	1	1	5470471	""
"702120"	"702120"	"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide"	"C\C(=C/c1ccccc1)\C(=O)NCc2ccc(cc2)C(=O)NCCc3c[nH]c4ccccc34"	0	""	""	1	1	5470474	""
"702121"	"702121"	"4-[[[(E)-3-[5-(2-Nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide"	"[O-][N+](=O)c1ccccc1c2oc(\C=C\C(=O)NCc3ccc(cc3)C(=O)NCCc4ccccc4)cc2"	0	""	""	1	1	5470475	""
"702123"	"702123"	"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(CNC(=O)\C=C\c4cccc(Oc5ccccc5)c4)cc3"	0	""	""	1	1	5470477	""
"702124"	"702124"	"N-(3-Methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide"	"CC(C)CCNC(=O)c1ccc(CNC(=O)\C=C\c2oc(cc2)c3ccccc3[N+](=O)[O-])cc1"	0	""	""	1	1	5470478	""
"702125"	"702125"	"N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2c[nH]c3ccccc23)\C=C\c4ccc(OCc5ccccc5)cc4"	0	""	""	2	2	5470479	""
"702128"	"702128"	"N-Benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCc2ccccc2)\C=C\c3ccc4ccccc4c3"	0	""	""	2	1	5470482	""
"702129"	"702129"	"N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide"	"C[C@@H](NC(=O)c1ccc(CNC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1)c4ccccc4"	0	""	""	2	2	5470483	""
"702131"	"702131"	"N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2ccccc2)\C=C\c3csc(n3)c4ccccc4"	0	""	""	1	1	5470485	""
"702134"	"702134"	"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(CNC(=O)\C=C\c3csc(n3)c4ccccc4)cc2"	0	""	""	2	2	5470488	""
"702136"	"702136"	"Methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate"	"COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1"	0	""	""	2	2	5470490	""
"702137"	"702137"	"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide"	"O=C(NCc1ccc(cc1)C(=O)NCCc2c[nH]c3ccccc23)\C=C\c4ccc(cc4)c5ccccc5"	0	""	""	1	1	5470491	""
"702152"	"702152"	"2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole"	"CC(=O)ON(C(=O)C)c1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	396348	""
"702154"	"702154"	"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline"	"Nc1ccc(cc1I)c2nc3ccc(F)cc3s2"	0	""	""	2	2	396350	""
"702155"	"702155"	"2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Cl)c2nc3ccc(F)cc3s2"	0	""	""	2	2	396351	""
"702156"	"702156"	"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline"	"Cc1cc(ccc1N)c2nc3ccc(F)cc3s2"	0	""	""	1	1	396352	""
"702158"	"702158"	"7-epi-3,4-bis-nor-dolastatin 11"	"CC[C@H](C)[C@@H]1OC(=O)CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC1=O"	0	""	""	2	2	396354	""
"702208"	"702208"	"Heliquinomycin"	"COC1CC(O[C@@H]2c3c(O)c4C(=O)C=C(OC)C(=O)c4c(O)c3O[C@@]25Oc6c(O)c7C(=O)OC(=Cc7cc6C[C@H]5O)C(=O)OC)OC(C)C1O"	0	NA	NA	3	2	NA	"178182495"
"702214"	"702214"	"(1R,2R,5R,9R,10S,13R)-13-Hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one"	"C[C@@H]1CCC2[C@@H](C)C(=O)O[C@@H]3C4C[C@@H]1[C@@]23OO[C@@]4(C)O"	0	""	""	1	1	6712631	""
"702294"	"702294"	"Estramustine"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OP(=O)(O)O"	0	"A7|TUBB|AlkAg"	"FDA approved"	2	1	54611422	"52205739"
"702295"	"702295"	"4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro- 2-[3-fluoro..."	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3"	0	""	""	2	2	396363	""
"702308"	"702308"	"Bipinnatin H"	"CC(=O)O[C@@H]1CC([C@H](OC(=O)C)c2oc(cc2C)[C@H]3O[C@]3(C)C[C@@H]4OC(=O)C1=C4)[C@@]5(C)CO5"	0	""	""	1	1	396365	""
"702309"	"702309"	"Bipinnatin I"	"COC(=O)C(=C)C1C[C@@H](OC(=O)C)C2=C[C@H](C[C@@]3(C)O[C@@H]3c4oc([C@H]1OC(=O)C)c(C)c4)OC2=O"	0	""	""	1	1	396366	""
"702313"	"702313"	"Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate"	"COC(=O)CN1c2nc(C#N)c(nc2N(CC(=O)OC)c3nc(C#N)c(nc13)C#N)C#N"	0	""	""	2	2	396370	""
"702320"	"702320"	"WGSBXSBPVUTUKB-UHFFFAOYSA-N"	"N#Cc1nc(c2ccccn2)c(nc1C#N)c3ccccn3"	0	""	""	2	2	396371	""
"702321"	"702321"	"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate"	"CCOC(=O)CNC1=NC(=O)C2=C(O1)C=C(Cl)OC2=O"	0	""	""	1	1	396372	""
"702322"	"702322"	"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate"	"CCOC(=O)C(Cc1ccc(O)cc1)NC2=NC(=O)C3=C(O2)C=C(Cl)OC3=O"	0	""	""	2	1	396373	""
"702323"	"702323"	"Ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate"	"CCOC(=O)NNC1(NC(=O)C2=C(O1)C=C(Cl)OC2=O)SC"	0	""	""	2	1	396374	""
"702326"	"702326"	"2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\Cc1cc(O)ccc1O)\C)\C)\C)\C)\C)\C)\C)C"	0	""	""	2	2	5470495	""
"702327"	"702327"	"Benzene-1,4-diol, 2-[19-(hydroxymethyl)-3,7,11,15,23,27,..."	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\Cc1cc(O)ccc1O)\C)\C)\C)\C)\CO)\C)\C)C"	0	""	""	2	2	5470496	""
"702328"	"702328"	"(2Z,6Z,10E,14E,18E)-20-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal"	"CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C/CC\C(=C\CC\C(=C\CC\C(=C\CC1=CC(=O)C=CC1=O)\C)\C)\C)\C)\C=O)\C)\C)C"	0	""	""	1	1	5470497	""
"702332"	"702332"	"N-(2,5-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine"	"COc1ccc(OC)c(c1)\N=C\c2cc(OC)c(OC)c(OC)c2"	0	""	""	2	1	396379	""
"702334"	"702334"	"(E)-N-Pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine"	"COc1cc(\C=N\c2ccccn2)cc(OC)c1OC"	0	""	""	2	1	9556386	""
"702337"	"702337"	"AR-685/43307786"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccccc3OC"	0	""	""	3	2	396384	""
"702338"	"702338"	"4-Thiazolidinone, 3-(4-chlorophenyl)-2-(3,4,5-trimethoxy..."	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(Cl)cc3"	0	""	""	2	2	396385	""
"702340"	"702340"	"3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ccc(Cl)c(Cl)c3"	0	""	""	2	2	396387	""
"702345"	"702345"	"3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one"	"COc1cccc(c1)N2C(SCC2=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	396392	""
"702348"	"702348"	"(5E)-5-Benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	2	5470499	""
"702349"	"702349"	"(5E)-5-Benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	5470500	""
"702350"	"702350"	"(5E)-5-Benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccccc1N2C(S\C(=C\c3ccccc3)\C2=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	5470501	""
"702351"	"702351"	"(5E)-5-Benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(Cl)cc4"	0	""	""	2	2	5470502	""
"702352"	"702352"	"(5E)-5-Benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccccc4Cl"	0	""	""	1	1	5470503	""
"702353"	"702353"	"N-[4-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccc(NC(=O)C)cc4"	0	""	""	1	1	5470504	""
"702355"	"702355"	"(5E)-5-Benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cc(Cl)c(Cl)cc4Cl"	0	""	""	2	1	5470506	""
"702357"	"702357"	"N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4cccc(NC(=O)C)c4"	0	""	""	1	1	5470508	""
"702358"	"702358"	"(5E)-5-Benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1ccc(OC)c(c1)N2C(S\C(=C\c3ccccc3)\C2=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	1	5470509	""
"702359"	"702359"	"(5E)-3-Benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2Cc4ccccc4"	0	""	""	1	1	5470510	""
"702363"	"702363"	"(5E)-5-Benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2S\C(=C\c3ccccc3)\C(=O)N2c4ccccn4"	0	""	""	2	1	5470514	""
"702373"	"702373"	"Paullone Analog 47"	"COc1cccc2c1NC(=O)Cc3c2[nH]c4ccc(Br)cc34"	0	""	""	2	2	396411	""
"702378"	"702378"	"Paullone Analog 9"	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)c2cc1OC"	0	""	""	2	2	396412	""
"702395"	"702395"	"3-Benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2Cc3ccccc3)cc1"	0	""	""	1	1	9556387	""
"702396"	"702396"	"3-[(4-Chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one"	"[O-][N+](=O)c1oc(\C=N\N2C(=O)NN=C2Cc3ccc(Cl)cc3)cc1"	0	""	""	2	2	9556388	""
"702397"	"702397"	"3-Benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2Cc3ccccc3)c(OC)c1"	0	""	""	2	1	9556389	""
"702399"	"702399"	"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"COc1ccc(\C=N\N2C(=O)NN=C2c3ccccc3)c(OC)c1"	0	""	""	2	2	9556391	""
"702400"	"702400"	"3-Phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one"	"COc1cc(\C=N\N2C(=O)NN=C2c3ccccc3)cc(OC)c1OC"	0	""	""	2	2	9556392	""
"702403"	"702403"	"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one"	"O=C1NN=C(N1\N=C\c2c[nH]c3ccccc23)c4ccccc4"	0	""	""	1	1	135505175	""
"702408"	"702408"	"N-[3-(Methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride"	"CNCCCNC(=S)CN1C=C(C)C(=O)NC1=O"	0	""	""	3	1	5470518	""
"702415"	"702415"	"Dimethyl 7-benzoyl-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[2,1-f]pyridazine-5,6-dicarboxylate"	"COC(=O)C1=C(C(N2N=C(C=CC12)c3ccc(Cl)cc3)C(=O)c4ccccc4)C(=O)OC"	0	""	""	1	1	396442	""
"702416"	"702416"	"(Z)-1-(4-Bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate"	"Clc1ccc(NC(=O)[C-](C(=O)c2ccc(Br)cc2)[n+]3cccc(n3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	54714473	""
"702418"	"702418"	"Dimethyl 2-(4-chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[2,1-f]pyridazine-5,6-dicarboxylate"	"COC(=O)c1c(C(=O)OC)c2ccc(nn2c1C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	1	1	396446	""
"702421"	"702421"	"N-[2-Acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide"	"CCC[C@H](O)[C@@H](CNc1cc(NC(=O)C)nc(NC(=O)C)n1)N(Cc2ccccc2)Cc3ccccc3"	0	""	""	1	1	396448	""
"702422"	"702422"	"1,3-Bis[(E)-dimethylsulfamoyliminomethyl]benzene"	"CN(C)S(=O)(=O)\N=C\c1cccc(\C=N\S(=O)(=O)N(C)C)c1"	0	""	""	1	1	9572083	""
"702433"	"702433"	"2-[2-[5-Bromo-2-[3-(2-tetrahydropyran-2-yloxyethyl)-2-thienyl]-3-thienyl]ethoxy]tetrahydropyran"	"Brc1cc(CCOC2CCCCO2)c(s1)c3sccc3CCOC4CCCCO4"	0	""	""	2	2	396459	""
"702435"	"702435"	"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]etha"	"OCCc1ccsc1c2sc(cc2CCO)c3cc(CCO)c(s3)c4sc(cc4CCO)c5cc(CCO)c(s5)c6sccc6CCO"	0	""	""	2	1	396461	""
"702436"	"702436"	"[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate"	"FC(F)(F)S(=O)(=O)Oc1ccc2oc3ccccc3c2c1c4c(OS(=O)(=O)C(F)(F)F)ccc5oc6ccccc6c45"	0	""	""	2	1	396462	""
"702438"	"702438"	"3-[(1R,12Br)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide"	"CC[C@@]1(CCC(=O)NCCc2c[nH]c3ccccc23)CCC(=O)N4CCc5c([nH]c6ccccc56)[C@@H]14"	0	""	""	1	1	396464	""
"702440"	"702440"	"[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester"	"COC(=O)\C=C\1/CCC(C)(C(=O)NS(=O)(=O)c2ccc(C)cc2)C1(C)C"	0	""	""	1	1	5470525	""
"702616"	"702616"	"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tet..."	"O=C1c2cccnc2c3nccc4c5CCCCc5nc1c34"	0	""	""	2	2	396466	""
"702644"	"702644"	"Graviquinone"	"COC(=O)\C=C\C1(O)C=CC(=O)C=C1"	0	""	""	2	2	5470526	""
"702648"	"702648"	"5-[5-(5-Formyl-2-furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde"	"Cn1c(ccc1c2oc(C=O)cc2)c3oc(C=O)cc3"	0	""	""	1	1	396471	""
"702652"	"702652"	"2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid"	"OC(=O)Cc1ccc2nc(COC(=O)c3ccccc3)sc2c1"	0	""	""	1	1	396475	""
"702655"	"702655"	"LDDHTAJMMDSEME-OKKQSCSOSA-N"	"NC([C@@H]1CC(=NO1)Br)C(=O)O"	0	""	""	2	2	6712634	""
"702684"	"702684"	"{[(4-Methylphenyl)sulfonyl]carbamoyl}sulfamic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NS(=O)(=O)O"	0	""	""	1	1	396499	""
"702688"	"702688"	"5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide"	"NS(=O)(=O)c1nnc(NC(=S)NC(=O)Nc2ccc(Cl)c(Cl)c2)s1"	0	""	""	1	1	5470532	""
"702690"	"702690"	"3-(2,3-Dichloro-4,6-disulfamoyl-phenyl)-1,1-diphenyl-urea"	"NS(=O)(=O)c1cc(c(NC(=O)N(c2ccccc2)c3ccccc3)c(Cl)c1Cl)S(=O)(=O)N"	0	""	""	1	1	396505	""
"702691"	"702691"	"4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide"	"NC(=S)Nc1c(Cl)c(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N"	0	""	""	1	1	5470533	""
"702692"	"702692"	"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea"	"NS(=O)(=O)c1cc(c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl)S(=O)(=O)N"	0	""	""	1	1	396507	""
"702734"	"702734"	"3-[[(1R,4As)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione"	"COC1=CC(=O)C(=C(C[C@]2(C)C(C)CC[C@@]3(C)C2CCCC3=C)C1=O)Cl"	0	""	""	2	2	396513	""
"702755"	"702755"	"3-[5-(1H-Indol-3-yl)pyrazin-2-yl]-1H-indole"	"c1ccc2c(c[nH]c2c1)c3cnc(cn3)c4c[nH]c5ccccc45"	0	""	""	1	1	396515	""
"702756"	"702756"	"1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole"	"Cn1cc(c2cnc(cn2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	3	3	396516	""
"702759"	"702759"	"Ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate"	"CCOC(=O)CCc1cccc2c1oc3c(CCNC(=O)OCC4c5ccccc5c6ccccc46)cccc23"	0	""	""	1	1	396517	""
"702923"	"702923"	"sphinxolide E"	"COC(CC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(OC)C(OC)C2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]2O"	0	""	""	1	1	5470535	""
"702924"	"702924"	"sphinxolide F"	"COC(C\C=C\N(C)C=O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C2OC2(C)CC(OC)C(OC)C3=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(O)CC(OC)\C=C\C1C)OC)[C@H]3O"	0	""	""	2	2	5470536	""
"702925"	"702925"	"Reidispongiolide C"	"COC(CC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@H](C2)C(C)C(CC(OC)\C=C\C(C)C(CC(OC)\C=C\C1C)OC)OC)OC"	0	""	""	1	1	5470537	""
"702985"	"702985"	"2,3-Bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid"	"COc1ccc(\C=C\C(=O)NCC(NC(=O)\C=C\c2ccc(OC)c(OC)c2)C(=O)O)cc1OC"	0	""	""	1	1	5470542	""
"702986"	"702986"	"N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine"	"OCC(NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)O"	0	""	""	1	1	5470543	""
"702987"	"702987"	"Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate"	"COC(=O)C(COC(=O)C)NC(=O)\C=C\c1ccc(O)c(OC(=O)C)c1"	0	""	""	1	1	5470544	""
"703013"	"703013"	"(6As)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione"	"COc1cc2C(=S)N3CCC[C@H]3C(=S)Nc2cc1OCc4ccccc4"	0	""	""	1	1	5470549	""
"703018"	"703018"	"3-allylthiohydantoin"	"C=CCN1C(=O)CNC1=S"	0	""	""	1	1	3032418	""
"703020"	"703020"	"STK968464"	"COc1ccc(\C=C\2/NC(=S)N(CC=C)C2=O)cc1"	0	""	""	1	1	1041244	""
"703028"	"703028"	"(5Z)-5-Benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one"	"C\C=C\CSC1=N\C(=C/c2ccccc2)\C(=O)N1CC=C"	0	""	""	1	1	5470561	""
"703035"	"703035"	""	"COc1ccc(\C=C\2/N=C(SC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N(CC=C)C2=O)cc1"	0	NA	NA	2	1	NA	""
"703036"	"703036"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(C)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	NA	""
"703037"	"703037"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Cl)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	2	NA	""
"703038"	"703038"	""	"COc1ccc(\C=C\2/N=C(SC3OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C3OC(=O)C)N(CC=C)C2=O)cc1"	0	NA	NA	1	1	NA	""
"703039"	"703039"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(C)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"703040"	"703040"	""	"CC(=O)OCC1OC(SC2=N\C(=C/c3ccc(Cl)cc3)\C(=O)N2CC=C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"703062"	"703062"	"3,5'-diformyl-2,5-bis-(2'-thienyl)-pyrrol"	"O=Cc1ccc(s1)c2cc(C=O)c([nH]2)c3cccs3"	0	""	""	2	2	396573	""
"703070"	"703070"	"4-Benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine"	"C#CCn1ncc2c(SCc3ccccc3)ncnc12"	0	""	""	1	1	396581	""
"703092"	"703092"	"VMTUPCLFULPHMX-UHFFFAOYSA-N"	"CCOC(=O)c1cn2c3ccc(Cl)cc3sc2n1"	0	""	""	1	1	396584	""
"703097"	"703097"	"Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate"	"CCOC(=O)c1cn2c3cc(C)c(C)cc3sc2n1"	0	""	""	1	1	396589	""
"703099"	"703099"	"Benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate"	"Cc1cc(CNC(=O)OCc2ccccc2)c(C)c3Oc4ccccc4Oc13"	0	""	""	2	1	396591	""
"703102"	"703102"	"1-Methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3cnccn3"	0	""	""	2	2	9572088	""
"703104"	"703104"	"N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3ccncn3"	0	""	""	2	2	9572090	""
"703105"	"703105"	"1-Methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3ccncn3"	0	""	""	2	2	9572091	""
"703107"	"703107"	"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3cc4ccccc4cn3"	0	""	""	2	2	9572092	""
"703108"	"703108"	"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3cc4ccccc4cn3"	0	""	""	2	2	9572093	""
"703109"	"703109"	"5-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(C)ccc2s1)\c3ccccn3"	0	""	""	2	2	9572094	""
"703110"	"703110"	"N-[(E)-1-Pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(ccc2s1)C(F)(F)F)\c3ccccn3"	0	""	""	2	2	9572095	""
"703111"	"703111"	"5-Chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2cc(Cl)ccc2s1)\c3ccccn3"	0	""	""	2	2	9572096	""
"703116"	"703116"	"N-(4-Aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCN)OCCCN"	0	""	""	1	1	396612	""
"703117"	"703117"	"N-(5-Aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCCN)OCCCN"	0	""	""	2	2	396614	""
"703122"	"703122"	"2-Amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol"	"Nc1cc(ccc1O)C2CCCc3c2[nH]c4ccccc34"	0	""	""	1	1	396623	""
"703127"	"703127"	"1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione"	"S=C1NN=C2N3C4CCCCC4C5CCCC(=C2N1)C35"	0	""	""	1	1	5470587	""
"703131"	"703131"	"F3223-0004"	"Cc1nc2ccccc2n1Cc3oc(nn3)c4ccccc4"	0	""	""	1	1	396632	""
"703132"	"703132"	"AOD100951"	"Cc1nc2ccccc2n1Cc3oc(N)nn3"	0	""	""	1	1	396633	""
"703133"	"703133"	"1-[2-(1,3-Benzothiazol-2-yl)ethyl]-2-methyl-benzimidazole"	"Cc1nc2ccccc2n1CCc3nc4ccccc4s3"	0	""	""	1	1	396634	""
"703136"	"703136"	"1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea"	"Cc1nc2ccccc2n1Cc3ccc(NC(=S)NC4CCCCC4)cc3"	0	""	""	2	2	5470589	""
"703138"	"703138"	"(e)-(3,5-Dimethyl-4h-pyrazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"CC1=NN=C(C)C1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	2	2	396639	""
"703139"	"703139"	"(e)-(3,5-Dimethylisoxazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"Cc1onc(C)c1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	1	1	396640	""
"703141"	"703141"	"(e)-(5,7-Dimethyl-3,6-dihydro-2h-1,4-diazepin-6-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene"	"CC1=NCCN=C(C)C1N=Nc2ccc3[nH]c(C)nc3c2"	0	""	""	1	1	396642	""
"703147"	"703147"	"Epothilone D"	"C[C@H]1CCC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(C)n2)\C)\C"	0	"Tu-stab"	""	1	1	NA	"189453109"
"703161"	"703161"	"Methyl 4-(3-phenylazoquinoxalin-2-yl)butanoate"	"COC(=O)CCCc1nc2ccccc2nc1N=Nc3ccccc3"	0	""	""	1	1	396647	""
"703162"	"703162"	"N-[(E)-(3,5-Dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline"	"CSC1=C(C)C(=C(C)N(c2ccccc2)S1(=O)=O)\C=N\Nc3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	9572097	""
"703165"	"703165"	"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3cc4ccccc4cn3"	0	""	""	1	1	9572098	""
"703174"	"703174"	"3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione"	"O=C1N(CN2CCOCC2)CN(CN3CCOCC3)C(=O)N1Cc4ccc(cc4)c5ccc(CN6C(=O)N(CN7CCOCC7)CN(CN8CCOCC8)C6=O)cc5"	0	""	""	2	1	396660	""
"703177"	"703177"	"13,14-Dimethyl-11lambda6-thia-2,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16),13-heptaene 11,11-dioxide"	"Cc1[nH]c2Nc3nc4ccccc4cc3S(=O)(=O)c2c1C"	0	""	""	1	1	396663	""
"703178"	"703178"	"N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide"	"Cc1cc(C)nc(NC(=O)c2ccc(Br)s2)c1"	0	""	""	1	1	396664	""
"703196"	"703196"	"N,N'-Bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide"	"CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O"	0	""	""	1	1	396682	""
"703202"	"703202"	"Cartilagineol"	"CC1(Cl)CC[C@]2(CC1Br)C(=C)C[C@@H](O)[C@@H](Br)C2(C)C"	0	""	""	2	2	396684	"185215990"
"703203"	"703203"	"mailione"	"CC1(C)[C@H](Br)[C@H](O)CC(=C)[C@@]12CCC(=O)C=C2"	0	""	""	2	2	396685	"185213745"
"703215"	"703215"	"(6E)-10-Hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione"	"C\C\1=C/CCC(C)(O)C(=O)C2CC(=O)C(=C)C2CC1=O"	0	""	""	2	2	5470594	""
"703216"	"703216"	"(6E)-10,11-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione"	"C\C\1=C/CCC(C)(O)C(O)C2CC(=O)C(=C)C2CC1=O"	0	""	""	4	2	5470595	""
"703220"	"703220"	""	"CCCC[C@H]1[C@H](COC(=O)N1[C@H](C)c2ccccc2)OCOc3ccccc3"	0	NA	NA	2	1	NA	""
"703226"	"703226"	"2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol"	"CN(CCCNCc1ccccn1)Cc2ccccc2O"	0	""	""	1	1	396692	""
"703305"	"703305"	"4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide"	"Clc1ccc(cc1)N=N\C(=N\c2ccccc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	396697	""
"703306"	"703306"	"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide"	"Fc1ccc(cc1)\N=C(/N=Nc2ccccc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	396698	""
"703311"	"703311"	"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide"	"Cc1ccc(cc1)N=N\C(=N/c2ccc(Cl)cc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	396703	""
"703312"	"703312"	"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide"	"COc1ccc(cc1)N=N\C(=N/c2ccc(Cl)cc2)\c3ccc(cc3)N(CCC#N)CCC#N"	0	""	""	1	1	396704	""
"703315"	"703315"	"3-Chloroindolo[2,1-b]quinazoline-6,12-dione"	"Clc1ccc2C(=O)N3C(=Nc2c1)C(=O)c4ccccc34"	0	""	""	1	1	396706	""
"703317"	"703317"	"6-Hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one"	"OC1C2Nc3ccc(cc3C(=O)N2c4ccccc14)[N+](=O)[O-]"	0	""	""	1	1	396708	""
"703318"	"703318"	"J3.572.907K"	"OC1C2Nc3ccccc3C(=O)N2c4ccccc14"	0	""	""	1	1	396709	""
"703319"	"703319"	"4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one"	"COc1cc(\C=C\C2=CC(=CC(=O)O2)\C=C\c3ccc(O)c(OC)c3)ccc1O"	0	""	""	2	2	5470596	""
"703320"	"703320"	"4,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one"	"Oc1ccc(\C=C\C2=CC(=CC(=O)O2)\C=C\c3ccc(O)c(O)c3)cc1O"	0	""	""	2	1	5470597	""
"703321"	"703321"	"4-[(Z)-2-[5-[(Z)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol"	"COc1cc(\C=C/c2nnc(\C=C/c3ccc(O)c(OC)c3)s2)ccc1O"	0	""	""	2	2	135505177	""
"703322"	"703322"	"4-[(Z)-2-[5-[(Z)-2-(3,4-Dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol"	"Oc1ccc(\C=C/c2nnc(\C=C/c3ccc(O)c(O)c3)s2)cc1O"	0	""	""	2	2	135505178	""
"703323"	"703323"	"N-(3-Bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine"	"Brc1cccc(Nc2ncnc3sc4CC5(CCc4c23)OCCO5)c1"	0	""	""	1	1	396714	""
"703324"	"703324"	"4-[(3-Bromophenyl)amino]-6,8-dihydro-5h-benzothiopheno[2,3-d]pyrimidin-7-one"	"Brc1cccc(Nc2ncnc3sc4CC(=O)CCc4c23)c1"	0	""	""	2	1	396715	""
"703326"	"703326"	"N-(3-Bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine"	"COC1(CCc2c(C1)sc3ncnc(Nc4cccc(Br)c4)c23)OC"	0	""	""	1	1	396717	""
"703327"	"703327"	"2,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one"	"COc1cc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(O)c(OC)c3)ccc1O"	0	""	""	2	2	5470600	""
"703328"	"703328"	"2,6-Bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one"	"COc1ccc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(OC)c(O)c3)cc1O"	0	""	""	2	1	5470601	""
"703329"	"703329"	"2,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one"	"Oc1ccc(\C=C\C2=CC(=O)C=C(O2)\C=C\c3ccc(O)c(O)c3)cc1O"	0	""	""	2	2	5470602	""
"703331"	"703331"	"N-(2-Chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide"	"COc1cc2nc(Cl)nc(NS(=O)(=O)c3cc4ccccc4s3)c2cc1OC"	0	""	""	1	1	396722	""
"703333"	"703333"	"2,3-Dimethoxy-8-nitro-indolo[2,1-b]quinazoline-6,12-dione"	"COc1cc2N=C3N(C(=O)c2cc1OC)c4ccc(cc4C3=O)[N+](=O)[O-]"	0	""	""	1	1	396724	""
"703334"	"703334"	"2-Chloroindolo[2,1-b]quinazoline-6,12-dione"	"Clc1ccc2N=C3N(C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	396725	""
"703357"	"703357"	"4H-1-Benzopyran-4-one, 5-amino-2- [4-[[2-amino-5-guanidi..."	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)C(N)CCCNC(=N)N)c(F)c3"	0	""	""	2	2	396727	""
"703439"	"703439"	"5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	396729	""
"703440"	"703440"	"5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCCCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	396730	""
"703441"	"703441"	"5-Acetyl-6-(2-morpholinoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CC(=O)C1=C(SCCN2CCOCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	1	396731	""
"703442"	"703442"	"Ethyl 4-(2-diethylaminoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(SCCN(CC)CC)N(C(=S)N(C1=O)c2ccccc2)c3ccccc3"	0	""	""	2	2	396732	""
"703443"	"703443"	"Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate"	"CCOC(=O)C1=C(SCCN2CCCC2)N(C(=S)N(C1=O)c3ccccc3)c4ccccc4"	0	""	""	2	2	396733	""
"703444"	"703444"	"7-(2-Diethylaminoethylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"CCN(CC)CCSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	396734	""
"703445"	"703445"	"5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[6,5-d]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCN5CCCC5)c6ccccc6"	0	""	""	2	2	396735	""
"703446"	"703446"	"5-Imino-7-(2-morpholinoethylsulfanyl)-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCN5CCOCC5)c6ccccc6"	0	""	""	2	2	396736	""
"703447"	"703447"	"7-(3-Dimethylaminopropylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione"	"CN(C)CCCSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	396737	""
"703448"	"703448"	"7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione"	"CC(CSC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5)CN(C)C"	0	""	""	2	2	396738	""
"703449"	"703449"	"5-Imino-1,3,6-triphenyl-7-[3-(1-piperidyl)propylsulfanyl]pyrimido[6,5-d]pyrimidine-2,4-dithione"	"N=C1N(C(=NC2=C1C(=S)N(C(=S)N2c3ccccc3)c4ccccc4)SCCCN5CCCCC5)c6ccccc6"	0	""	""	2	2	396739	""
"703452"	"703452"	"6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCCN3CCCCCC3)c4ccccc4)c5ccccc5"	0	""	""	1	1	396742	""
"703454"	"703454"	"1,3,5-Triphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidin-4-one"	"O=C1N(C(=S)N(C(=C1c2ccccc2)SCCCN3CCCCC3)c4ccccc4)c5ccccc5"	0	""	""	1	1	396744	""
"703456"	"703456"	"3-(2,2-Dimethylpropanoyl)-2-thioxo-imidazolidine-1-carbaldehyde"	"CC(C)(C)C(=O)N1CCN(C=O)C1=S"	0	""	""	1	1	396746	""
"703457"	"703457"	"2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde"	"COc1cc(cc(OC)c1OC)C(=O)N2CCN(C=O)C2=S"	0	""	""	1	1	396747	""
"703458"	"703458"	"3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde"	"Clc1ccc(cc1)C(=O)N2CCN(C=O)C2=S"	0	""	""	1	1	396748	""
"703462"	"703462"	"3-(Furan-2-carbonyl)-2-thioxo-imidazolidine-1-carbaldehyde"	"O=CN1CCN(C(=O)c2occc2)C1=S"	0	""	""	2	1	396752	""
"703463"	"703463"	"[2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2=S"	0	""	""	1	1	396753	""
"703465"	"703465"	"[3-(3,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,4-dichlorophenyl)methanone"	"Clc1ccc(cc1Cl)C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2=S"	0	""	""	1	1	396755	""
"703466"	"703466"	"[3-(3,5-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,5-dichlorophenyl)methanone"	"Clc1cc(Cl)cc(c1)C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)C2=S"	0	""	""	2	2	396756	""
"703467"	"703467"	"[3-(Furan-2-carbonyl)-2-thioxo-imidazolidin-1-yl]-(2-furyl)methanone"	"O=C(N1CCN(C(=O)c2occc2)C1=S)c3occc3"	0	""	""	2	2	396757	""
"703468"	"703468"	"2-Thienyl-[3-(thiophene-2-carbonyl)-2-thioxo-imidazolidin-1-yl]methanone"	"O=C(N1CCN(C(=O)c2cccs2)C1=S)c3cccs3"	0	""	""	2	1	396758	""
"703469"	"703469"	"O-(2-Phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate"	"COc1ccc(cc1)C(=O)N(C(=S)OCCOc2ccccc2)c3ccccc3"	0	""	""	1	1	396759	""
"703470"	"703470"	"(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester"	"Clc1ccc(cc1)C(=O)N(C(=S)OCCOc2ccccc2)c3ccccc3"	0	""	""	1	1	396760	""
"703542"	"703542"	"(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol"	"OC(\C=C\CCCCCCC#CC\C=C/CC#CCCCCCC\C=C\C(O)C#C)C#C"	0	""	""	2	2	5470603	""
"703543"	"703543"	"(4E,15Z)-Triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol"	"OC(CCCCCCCCC#CC\C=C/CC#CCCCCCC\C=C\C(O)C#C)C#C"	0	""	""	2	2	5470604	""
"703544"	"703544"	"(4E,12Z,27Z,43Z)-Hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol"	"OC(\C=C\CCCCCC\C=C/CCCCC#CC(O)C#CCCCC\C=C/CCCCCCCCCCCCCC\C=C/C#C)C#C"	0	""	""	2	2	5470605	""
"703545"	"703545"	"3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5h-furo[5,4-d][1,3]dioxol-6-ol"	"CC1(C)OC2C(O)C(CO)OC2(O1)C(F)F"	0	""	""	2	1	396766	""
"703547"	"703547"	"Methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate"	"COC(=O)\C=C/1\N2C(=CC1=O)[C@@H]3C[C@H]4C[C@H](CC[C@@]24C)C3(C)NC(=O)C"	0	""	""	2	2	5470606	""
"703550"	"703550"	"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"Cc1ccc(cc1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	1	1	135505181	""
"703552"	"703552"	"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccccc1N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	1	1	135505183	""
"703554"	"703554"	"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"Cc1ccc(cc1)C(=O)N\N=C(/N=Nc2cccc(c2)[N+](=O)[O-])\c3ccc(cc3C)N(CCC#N)CCC#N"	0	""	""	2	1	135505185	""
"703558"	"703558"	"1H-Indole-2-carboxamide, N-[3-[[2,3,5,11a-tetrahydro-7-m..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	2	2	396779	""
"703749"	"703749"	"[(4Z)-4-Decylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CCCCCCCCC\C=C/1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O"	0	""	""	2	2	5470622	""
"703750"	"703750"	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C"	0	""	""	2	2	5470623	""
"703751"	"703751"	"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C"	0	""	""	2	1	5470624	""
"703756"	"703756"	"(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate"	"CCCCCCCCC\C=C\1/CC(CO)(COC(=O)C2CCCCC2)OC1=O"	0	""	""	1	1	5470628	""
"703757"	"703757"	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)c2ccccc2)OC1=O)C(C)C"	0	""	""	1	1	5470629	""
"703759"	"703759"	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C"	0	""	""	1	1	5470631	""
"703760"	"703760"	"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C"	0	""	""	1	1	5470632	""
"703761"	"703761"	"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate"	"CC(C)C(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C"	0	""	""	2	2	5470633	""
"703762"	"703762"	"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate"	"CC(C)C(C\C=C\1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)C(C)C"	0	""	""	1	1	5470634	""
"703763"	"703763"	"3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester"	"CCCCCCCC\C=C/CCCCCCC\C=C/1\C[C@](CO)(OC1=O)\C=C\C(=O)OC"	0	""	""	2	2	5470635	""
"703764"	"703764"	"Methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate"	"CCCCCCCC\C=C/CCCCCCC\C=C\1/C[C@](CO)(OC1=O)\C=C\C(=O)OC"	0	""	""	2	2	5470636	""
"703770"	"703770"	"C35H43N5O"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	2	1	6712640	""
"703771"	"703771"	"Usambarensine"	"C\C=C/1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc5nccc6c7ccc(O)cc7[nH]c56"	0	""	""	2	1	54611444	""
"703772"	"703772"	"Isostrychnopentamine A"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	3	1	6712642	""
"703776"	"703776"	"3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid"	"OC(=O)CCSC(CC1(NC(=O)CCS1)c2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	1	396797	""
"703779"	"703779"	"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	1	1	5470638	""
"703781"	"703781"	"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1C)c2nc3ccccc3s2"	0	""	""	1	1	396804	""
"703783"	"703783"	"(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	"Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)c2nc3ccccc3s2"	0	""	""	2	2	396808	""
"703784"	"703784"	"L-Lysinamide, N-[4-(1,3-benzothiazol-2-yl)phenyl-2-chlor..."	"NCCCC[C@H](N)C(=O)Nc1ccc(cc1Cl)c2nc3ccccc3s2"	0	""	""	2	2	396810	""
"703785"	"703785"	"6-Benzothiazolol, 2-(4-amino-3-methylphenyl)-"	"Cc1cc(ccc1N)c2nc3ccc(O)cc3s2"	0	""	""	1	1	396812	""
"703786"	"703786"	"4-(5-fluorobenzo[d]thiazol-2-yl)-2-methyl aniline"	"Cc1cc(ccc1N)c2nc3cc(F)ccc3s2"	0	""	""	3	3	396813	""
"703788"	"703788"	"Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-"	"Nc1ccc(cc1F)c2nc3ccccc3s2"	0	""	""	1	1	396815	""
"703823"	"703823"	"3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,3,5(10)-estra..."	"C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C\C(=C/c5ccncc5)\C2=O"	0	""	""	1	1	5470644	""
"703830"	"703830"	"Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate"	"CCOC(=O)c1csc(NC(=O)CCN(CC)CC)n1"	0	""	""	1	1	396826	""
"703837"	"703837"	"Ethyl 2-[2-(1-piperidyl)propanoylamino]thiazole-4-carboxylate"	"CCOC(=O)c1csc(NC(=O)C(C)N2CCCCC2)n1"	0	""	""	1	1	396833	""
"703850"	"703850"	"STK092790"	"CC(=O)Nc1ccc(cc1)\N=C\2/C(=C(SC3=C(\C(=N/c4ccc(NC(=O)C)cc4)\c5ccccc35)c6ccccc6)c7ccccc27)c8ccccc8"	0	""	""	1	1	396836	""
"703855"	"703855"	"6-(4-Methylphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	"Cc1ccc(cc1)\N=C\2/C(=O)C3=C(OC(C)(C)CC3)c4ccccc24"	0	""	""	2	2	396837	""
"703857"	"703857"	"6-(4-Nitrophenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one"	"CC1(C)CCC2=C(O1)c3ccccc3\C(=N\c4ccc(cc4)[N+](=O)[O-])\C2=O"	0	""	""	1	1	396839	""
"703866"	"703866"	"Tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate"	"CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N2CC[C@H](N2)C(=O)N3[C@H]4C[C@@H]5CC[C@@]4(CS3(=O)=O)C5(C)C"	0	""	""	1	1	396842	""
"703874"	"703874"	"N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide"	"CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\NC(=O)c5cccc6cc7ccccc7nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	9572109	""
"703876"	"703876"	"[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5cccc6cc7ccccc7nc56)ccc34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	396849	""
"703878"	"703878"	"12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride"	"COc1c(O)cc2C=CNc3ccnc1c23"	0	""	""	1	1	396850	""
"703889"	"703889"	"N-[(Z)-[2-(4-Nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide"	"[O-][N+](=O)c1ccc(OC\C(=N\NC(=O)c2ccncc2)\N=C\c3ccncc3)cc1"	0	""	""	1	1	9572115	""
"703899"	"703899"	"(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide"	"CCOC(=O)\C(=C(\N)/N1CCCC1)\C(=O)Nc2ccc(F)cc2"	0	""	""	1	1	135426608	""
"703912"	"703912"	"Ethyl 1-(3-chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carboxylate"	"CCOC(=O)C1=C(N=CN(C1=O)c2cccc(Cl)c2)N3CCOCC3"	0	""	""	1	1	396885	""
"703982"	"703982"	""	"COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(=O)C)c(OC(=O)C)c1)NC(=O)\C=C\c2ccc(OC(=O)C)c(OC(=O)C)c2"	0	NA	NA	1	1	NA	""
"704065"	"704065"	"(1S,4S,5R,9R,12R,13R)-1,5,9-Trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,"	"C[C@@H]1CCC2[C@@H](C)C(OCCOC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CCC([C@H]3C)[C@@]46O5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27O8"	0	""	""	1	1	6712644	""
"704066"	"704066"	"2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefel..."	"CCOP(=O)(CC[Se][C@@H]1CC(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O)OCC"	0	""	""	2	2	11016831	""
"704077"	"704077"	"6-(5-Nitropyridin-2-yl)sulfanyl-7H-purin-2-amine"	"Nc1nc(Sc2ccc(cn2)[N+](=O)[O-])c3nc[nH]c3n1"	0	""	""	2	1	3977545	""
"704080"	"704080"	"1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole"	"Cc1c(c2c(C)c3ccccc3n2S(=O)(=O)c4ccccc4)n(c5ccccc15)S(=O)(=O)c6ccccc6"	0	""	""	2	1	396901	""
"704082"	"704082"	"N-(Naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"O=S1(=O)N(C(=Nc2ccncc12)NCc3cccc4ccccc34)c5ccccc5"	0	""	""	2	1	135426615	""
"704083"	"704083"	"N-[(2-Methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"COc1ccccc1CNC2=Nc3ccncc3S(=O)(=O)N2c4ccccc4"	0	""	""	1	1	135416672	""
"704085"	"704085"	"4-[(1E,3E,5E)-6-(4-Bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline"	"CN(C)c1ccc(cc1)\C(=C(/F)\C(=C(/F)\C(=C(/F)\c2ccc(Br)cc2)\F)\F)\F"	0	""	""	2	2	5470675	""
"704089"	"704089"	"1-[(3As,6s)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methyl-propan-1-one"	"CC(C)C(=O)[C@@]1(C)SC[C@H]2CCN=C12"	0	""	""	1	1	396910	""
"704096"	"704096"	"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"CN(C)c1ccc(cc1)\C(=N\NC(=O)c2ccc(C)cc2)\N=Nc3cccc(C)c3"	0	""	""	1	1	135505189	""
"704098"	"704098"	"N-[(Z)-[[(2-Chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide"	"CN(C)c1ccc(cc1)\C(=N\NC(=O)c2ccc(C)cc2)\N=Nc3ccccc3Cl"	0	""	""	1	1	135505191	""
"704099"	"704099"	"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cccc(c1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3)N(C)C"	0	""	""	1	1	135505192	""
"704100"	"704100"	"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccc(cc1)N=N\C(=N/NC(=O)c2ccc(C)cc2)\c3ccc(cc3)N(C)C"	0	""	""	2	1	135505193	""
"704104"	"704104"	"6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione"	"Cc1sc2N=C3SN4C(=Nc5sc(C)c(C)c5C4=O)N3C(=O)c2c1C"	0	""	""	1	1	396923	""
"704105"	"704105"	"11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione"	"O=C1N2SC3=Nc4sc5CCCCc5c4C(=O)N3C2=Nc6sc7CCCCc7c16"	0	""	""	2	1	396924	""
"704108"	"704108"	"(2s)-2-[[4-[(6-Allophanoyl-2-pyridyl)methylamino]benzoyl]amino]pentanedioic acid"	"NC(=O)NC(=O)c1cccc(CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)n1"	0	""	""	1	1	396927	""
"704113"	"704113"	"6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one hydrochloride"	"NC1CC(=O)c2cscc12"	0	""	""	1	1	396928	""
"704115"	"704115"	"4H-Cyclopenta[c]thiophen-4-one, 6-amino-1-chloro-5,6-dih..."	"NC1CC(=O)c2csc(Cl)c12"	0	""	""	2	2	396931	""
"704117"	"704117"	"1,3-Diiodocyclopenta[c]thiophen-6-one"	"Ic1sc(I)c2C(=O)C=Cc12"	0	""	""	1	1	396934	""
"704119"	"704119"	"6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(NCc3ccccc3)c12"	0	""	""	2	2	396937	""
"704121"	"704121"	"6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(Nc3ccccc3)c12"	0	""	""	2	2	396939	""
"704122"	"704122"	"(4S,6R)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene"	"Cl[C@@H]1C[C@H](Cl)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	396940	""
"704124"	"704124"	"(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine"	"O\N=C\1/C\C(=N/O)\c2c(Br)sc(Br)c12"	0	""	""	1	1	9572130	""
"704125"	"704125"	"1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine hydrochloride"	"NC1CC(Cl)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	396943	""
"704127"	"704127"	"1,3-Dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol"	"OC1CC(O)c2c(Cl)sc(Cl)c12"	0	""	""	1	1	396946	""
"704128"	"704128"	"IKESWEOGHPMERW-WSOKHJQSSA-"	"Br[C@@H]1C[C@H](Br)c2c(Br)sc(Br)c12"	0	""	""	1	1	396947	""
"704130"	"704130"	"1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"ClC1CC(=O)c2c(Cl)sc(Cl)c12"	0	""	""	2	2	396949	""
"704171"	"704171"	"2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3ccc(F)cc3)n1c4ccc(F)cc4"	0	""	""	2	2	396951	""
"704172"	"704172"	"2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile"	"Nc1c(C#N)c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2c3cccc4ccccc34)n1c5cccc6ccccc56"	0	""	""	2	2	396952	""
"704174"	"704174"	"N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide"	"S=C(NC1CCCCC1)N2CCNC2=S"	0	""	""	1	1	3005453	""
"704176"	"704176"	"N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide"	"O=C(NC1CCCCC1)N2CCNC2=S"	0	""	""	1	1	3005455	""
"704177"	"704177"	"N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide"	"O=C(Nc1ccccc1)N2CCN(C(=O)Nc3ccccc3)C2=S"	0	""	""	1	1	396957	""
"704179"	"704179"	"3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide"	"CNC(=S)N1CCN(C(=O)C)C1=S"	0	""	""	1	1	3005457	""
"704180"	"704180"	"N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide"	"O=C(N(C(=S)N1CCN(C(=O)c2ccccc2)C1=S)c3ccccc3)c4ccccc4"	0	""	""	2	1	396960	""
"704200"	"704200"	"Tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate"	"CC1=CN(C2C1C=C(C=C2OCc3ccccc3)N(CC=C)C(=O)OC(C)(C)C)S(=O)(=O)c4ccccc4"	0	""	""	1	1	396963	""
"704205"	"704205"	"1-(Benzenesulfonyl)-7-benzyloxy-3-methyl-5-nitro-indole"	"Cc1cn(c2c(OCc3ccccc3)cc(cc12)[N+](=O)[O-])S(=O)(=O)c4ccccc4"	0	""	""	1	1	396968	""
"704213"	"704213"	"Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phe..."	"Cc1cn(c2c(OCc3ccccc3)cc(NS(=O)(=O)C)cc12)S(=O)(=O)c4ccccc4"	0	""	""	3	2	396976	""
"704214"	"704214"	"Ethyl 5-(allyl-methylsulfonyl-amino)-7-methoxy-3-methyl-4-nitro-1h-indole-2-carboxylate"	"CCOC(=O)c1[nH]c2c(OC)cc(N(CC=C)S(=O)(=O)C)c(c2c1C)[N+](=O)[O-]"	0	""	""	1	1	396977	""
"704215"	"704215"	"N-[3-Methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide"	"Cc1cn(c2c(OCc3ccccc3)cc(N(CC=C)S(=O)(=O)C)c(c12)[N+](=O)[O-])S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	2	1	396978	""
"704216"	"704216"	"N-[2-[[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide"	"Cc1cn(c2c(OCc3ccccc3)cc(cc12)N(CC=C)C(=O)CNC(=O)C(F)(F)F)S(=O)(=O)c4ccccc4"	0	""	""	2	2	396979	""
"704218"	"704218"	"Benzyl 6-[1-(benzenesulfonyl)indol-2-yl]-3-methoxy-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate"	"COC1=CC2C(CC1CN2C(=O)OCc3ccccc3)c4cc5ccccc5n4S(=O)(=O)c6ccccc6"	0	""	""	1	1	396981	""
"704219"	"704219"	"Methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate"	"COC(=O)[C@@]1(CC2CN(C1CC2=O)C(=O)C)c3cc4ccccc4n3S(=O)(=O)c5ccccc5"	0	""	""	2	2	396982	""
"704221"	"704221"	"Methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate"	"COC(=O)[C@@]12CC3CN(C(CBr)c4c1n(c5ccccc45)S(=O)(=O)c6ccccc6)C2C=C3"	0	""	""	1	1	396984	""
"704225"	"704225"	"Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imida..."	"NCCCN(CCCN)CCc1cn(cn1)C(=O)c2ccccc2"	0	""	""	2	1	396988	""
"704231"	"704231"	"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one"	"O=C1C2CCCCN2CCc3c1[nH]c4ccccc34"	0	""	""	1	1	396994	""
"704238"	"704238"	"Methyl(6r)-6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]octane-6-carboxylate"	"COC(=O)[C@@]1(CC2CCC1NC2)c3cc4ccccc4n3S(=O)(=O)c5ccccc5"	0	""	""	1	1	397001	""
"704239"	"704239"	"8-O-Benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate"	"COC(=O)[C@@]1(CC2CN(C1C3OC(C)(C)OC23)C(=O)OCc4ccccc4)c5cc6ccccc6n5S(=O)(=O)c7ccccc7"	0	""	""	1	1	397002	""
"704241"	"704241"	"Methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate"	"COC1C2CN(CC(=C)S(=O)(=O)c3ccccc3)C(C1OC)[C@@](C2)(C(=O)OC)c4cc5ccccc5[nH]4"	0	""	""	2	2	397004	""
"704244"	"704244"	"AQ-776/42801638"	"COc1ccc2c(CCN)c([nH]c2c1)C(=O)O"	0	""	""	2	1	397008	""
"704278"	"704278"	"2-(4-amino-3-methylphenyl)-7-hydroxybenzothiazole"	"Cc1cc(ccc1N)c2nc3cccc(O)c3s2"	0	""	""	1	1	397016	""
"704280"	"704280"	"4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile"	"O=C1C=CC(=O)c2c1ccc3c4ccccc4n(c5ccc(cc5)C#N)c23"	0	""	""	2	2	397017	""
"704281"	"704281"	"11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione"	"O=C(c1ccccc1)c2ccc(cc2)n3c4ccccc4c5ccc6C(=O)C=CC(=O)c6c35"	0	""	""	2	2	397018	""
"704282"	"704282"	"11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione"	"COc1ccc(cc1)C(=O)c2ccc(cc2)n3c4ccccc4c5ccc6C(=O)C=CC(=O)c6c35"	0	""	""	2	2	397019	""
"704283"	"704283"	"4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol"	"Oc1ccc(O)c2C3OC=CC3C(=Cc12)[N+](=O)[O-]"	0	""	""	2	2	3424350	""
"704284"	"704284"	"2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g]benzofuran-6,9-dione"	"CC1=CC2C(O1)C3C(=O)C=CC(=O)C3=CC2[N+](=O)[O-]"	0	""	""	2	2	397021	""
"704285"	"704285"	"4-Nitrobenzo[g]benzofuran-6,9-dione"	"[O-][N+](=O)c1cc2C(=O)C=CC(=O)c2c3occc13"	0	""	""	2	2	397022	""
"704286"	"704286"	"2-Methyl-4-nitro-benzo[g]benzofuran-6,9-dione"	"Cc1oc2c3C(=O)C=CC(=O)c3cc(c2c1)[N+](=O)[O-]"	0	""	""	2	2	397023	""
"704287"	"704287"	"6-Nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol"	"Oc1ccc(O)c2C3C(Nc4ccccc34)C(=Cc12)[N+](=O)[O-]"	0	""	""	2	2	5177983	""
"704288"	"704288"	"7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol"	"CN1C2C(c3ccccc13)c4c(O)ccc(O)c4C=C2[N+](=O)[O-]"	0	""	""	2	2	5132626	""
"704312"	"704312"	"8-Chloro-5,5-dioxo-N-(1,3-thiazol-2-yl)imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4nccs4"	0	""	""	1	1	397030	""
"704313"	"704313"	"N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4cccc5nsnc45"	0	""	""	2	2	397031	""
"704314"	"704314"	"(2-Methylquinolin-8-yl) 8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxylate"	"Cc1ccc2cccc(OC(=O)c3cc4c(Sc5nccn5S4(=O)=O)cc3Cl)c2n1"	0	""	""	2	1	397032	""
"704315"	"704315"	"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile"	"CC1=NN(c2nc(N)nc(n2)C(C#N)C(=O)c3cc4c(Sc5nccn5S4(=O)=O)cc3Cl)C(C)(C)C1"	0	""	""	1	1	397033	""
"704317"	"704317"	"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3ccc(s3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	2	2	54611464	""
"704318"	"704318"	"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3oc(cc3)c4ccc(cc4)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	1	1	54611462	""
"704319"	"704319"	"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C\c3cccn3c4cc(Cl)cc(Cl)c4)\C#N)C(C)(C)C1"	0	""	""	1	1	6520161	""
"704322"	"704322"	"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3cccc(c3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	3	2	54611463	""
"704330"	"704330"	"2-Chloro-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-N-phenyl-4-sulfanylbenzamide"	"CC1CNC(=NN1)NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S"	0	""	""	1	1	397048	""
"704341"	"704341"	"4-Chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide"	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(N2)c4ccccc4"	0	""	""	1	1	397059	""
"704343"	"704343"	"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)Nc4nc5cccnc5[nH]4)C(=O)Nc6ccc(Cl)cc6)cc2Cl)S(=O)(=O)Nc7nc8cccnc8[nH]7)cc1"	0	""	""	1	1	397061	""
"704345"	"704345"	"2-Chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenylbenzamide"	"Clc1ccc2N=C(NS(=O)(=O)c3cc(C(=O)Nc4ccccc4)c(Cl)cc3SSc5cc(Cl)c(cc5S(=O)(=O)NC6=Nc7ccc(Cl)cc7C(N6)c8ccccc8)C(=O)Nc9ccccc9)NC(c%10ccccc%10)c2c1"	0	""	""	2	1	25077304	""
"704346"	"704346"	"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)su"	"Clc1ccc(NC(=O)c2cc(c(SSc3cc(Cl)c(cc3S(=O)(=O)NC4=Nc5ccc(Cl)cc5C(N4)c6ccccc6)C(=O)Nc7ccc(Cl)cc7)cc2Cl)S(=O)(=O)NC8=Nc9ccc(Cl)cc9C(N8)c%10ccccc%10)cc1"	0	""	""	2	1	25077305	""
"704373"	"704373"	"2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid"	"NC(CCC(=O)NC(CSCC1C(=O)Nc2ccccc12)C(=O)NCC(=O)O)C(=O)O"	0	""	""	2	2	397066	""
"704376"	"704376"	"(5Z)-5-[[4-[(2R)-4-Aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one"	"CCC1=C(C)C(=O)N/C/1=C\c2[nH]c(C)c([C@H](C)CCN)c2C"	0	""	""	1	1	54611460	""
"704387"	"704387"	"2H-1-Benzopyran-2-one, 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-"	"O=C1Oc2ccccc2C=C1c3nnc(s3)c4ccccc4"	0	""	""	2	2	397074	""
"704388"	"704388"	"TimTec1_008492"	"O=C1Oc2ccccc2C=C1c3cn4ccccc4n3"	0	""	""	2	2	397075	""
"704391"	"704391"	"STK372674"	"COc1ccc2OC(=O)C(=Cc2c1)c3oc4ccccc4n3"	0	""	""	1	1	397078	""
"704393"	"704393"	"HTS028333"	"COc1cccc2C=C(C(=O)Nc3ccccn3)C(=N)Oc12"	0	""	""	1	1	397080	""
"704394"	"704394"	"BAS 01020669"	"Oc1ccc2C=C(C(=O)Nc3ccccn3)C(=N)Oc2c1"	0	""	""	1	1	135426625	""
"704397"	"704397"	"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-"	"N=C1Oc2ccccc2C=C1C(=O)Nc3nccs3"	0	""	""	2	2	397084	""
"704399"	"704399"	"2h-1-benzopyran-3-carboxamide, 2-imino-n-(1-adamantyl)-"	"N=C1Oc2ccccc2C=C1C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	2	2	397086	""
"704402"	"704402"	"N-(1-Adamantyl)-2-imino-8-methoxychromene-3-carboxamide"	"COc1cccc2C=C(C(=O)NC34CC5CC(CC(C5)C3)C4)C(=N)Oc12"	0	""	""	2	2	397089	""
"704408"	"704408"	"6,8-Dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide"	"Clc1cc(Cl)c2OC(=N)C(=Cc2c1)C(=O)Nc3cccc4ccccc34"	0	""	""	2	2	397095	""
"704428"	"704428"	"STK030831"	"NC(=O)C1=Cc2ccc(O)cc2O/C/1=N/c3ccccc3"	0	""	""	1	1	135426627	""
"704435"	"704435"	"ChemDiv3_000672"	"CCN(CC)c1ccc2C=C(C(=O)N)\C(=N\c3ccc(F)cc3)\Oc2c1"	0	""	""	1	1	397122	""
"704533"	"704533"	"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"NC1=NC(=O)N(C=C1)C2CCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)O2"	0	""	""	2	2	397134	""
"704535"	"704535"	"N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CS(=O)c2ccc(C)cc2)C(F)(F)C(F)(F)F)cc1"	0	""	""	1	1	397136	""
"704536"	"704536"	"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CS(=O)c2ccc(C)cc2)c3ccc(F)cc3)cc1"	0	""	""	1	1	397137	""
"704537"	"704537"	"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline"	"COc1ccc(N[C@H](CSc2ccc(C)cc2)c3ccc(F)cc3)cc1"	0	""	""	1	1	397138	""
"704543"	"704543"	"2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	"[O-][N+](=O)c1ccc(cc1)N2CCN(CC2)c3c(C#N)[n+]([O-])c4ccccc4[n+]3[O-]"	0	""	""	1	1	397144	""
"704544"	"704544"	"2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide"	"COc1cc2c(cc1Cl)[n+]([O-])c(C#N)c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])[n+]2[O-]"	0	""	""	2	2	397145	""
"704545"	"704545"	"2-Quinoxalinecarbonitrile, 7-methoxy-3-[4-(4-nitrophenyl..."	"COc1ccc2c(c1)[n+]([O-])c(C#N)c(N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])[n+]2[O-]"	0	""	""	2	2	397146	""
"704552"	"704552"	"1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(c12)n3ccnc3"	0	""	""	2	2	397151	""
"704556"	"704556"	"1,3,6-Tribromocyclopenta[c]thiophen-4-one"	"BrC1=CC(=O)c2c(Br)sc(Br)c12"	0	""	""	2	2	397155	""
"704557"	"704557"	"1,3-dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)CC(NCCCNC3CC(=O)c4c(Br)sc(Br)c34)c12"	0	""	""	2	1	397156	""
"704558"	"704558"	""	"CCCOc1c2Cc3cc(COC4OC(CO)C(O)C(O)C4O)cc(Cc5cc(COC6OC(CO)C(O)C(O)C6O)cc(Cc7cc(COC8OC(CO)C(O)C(O)C8O)cc(Cc1cc(COC9OC(CO)C(O)C(O)C9O)c2)c7OCCC)c5OCCC)c3OCCC"	0	NA	NA	1	1	NA	""
"704561"	"704561"	"3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18)"	"CCCCN1C(=S)N(CCCC)C2=C1SSC3=C(N(CCCC)C(=S)N3CCCC)C4=C(SSC5=C(N(CCCC)C(=S)N5CCCC)C6=C(SSC7=C2N(CCCC)C(=S)N7CCCC)N(CCCC)C(=S)N6CCCC)N(CCCC)C(=S)N4CCCC"	0	""	""	2	2	397158	""
"704562"	"704562"	""	"C(NC1C2CCC(C2)C1c3c[nH]c4ccccc34)c5cccc(CNC6C7CCC(C7)C6c8c[nH]c9ccccc89)c5"	0	NA	NA	2	1	NA	""
"704563"	"704563"	""	"C(NC1C2CCC(C2)C1c3c[nH]c4ccccc34)c5cccc(CNC6C7CCC(C7)C6c8c[nH]c9ccccc89)c5"	0	NA	NA	2	1	NA	""
"704565"	"704565"	"RE 1492"	"C(CCc1ccccc1)CNCc2cc(CNCCCCc3ccccc3)cc(CNCCCCc4ccccc4)c2"	0	""	""	2	1	163878	""
"704578"	"704578"	"Tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate"	"CC(C)(C)OC(=O)NCCCCC1NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)C(C5CCCCC5)N2C1=O"	0	""	""	1	1	397173	""
"704582"	"704582"	"Tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate"	"CC(C)CC1N2[C@@H](Cc3c1[nH]c4ccccc34)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C2=O"	0	""	""	1	1	397177	""
"704583"	"704583"	"(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione"	"CC(C)CC1N2[C@@H](Cc3c1[nH]c4ccccc34)C(=O)NC(COC(C)(C)C)C2=O"	0	""	""	1	1	397178	""
"704587"	"704587"	"5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one"	"COc1cc(cc(C)c1O)C2=COc3c(OC)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c(OC)c(O)c3C2=O"	0	""	""	1	1	5470694	""
"704588"	"704588"	"3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one"	"COc1cc(cc(OC)c1C)C2=COc3c(OC)c(OC4OC(CO)C(O)C(O)C4O)c(OC)cc3C2=O"	0	""	""	2	1	397182	""
"704592"	"704592"	"[C-(5-Nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate"	"[O-][N+](=O)c1oc(cc1)\C(=N\c2ccccc2)\SS\C(=N/c3ccccc3)\c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	397185	""
"704593"	"704593"	"[N-(4-Methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate"	"COc1ccc(cc1)\N=C(\SS\C(=N\c2ccc(OC)cc2)\c3oc(cc3)[N+](=O)[O-])/c4oc(cc4)[N+](=O)[O-]"	0	""	""	2	2	397186	""
"704600"	"704600"	"2-Butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide"	"CCC(C)C(C(=O)N\N=C/1\SCC(=O)N1C)C(=O)N\N=C/2\SCC(=O)N2C"	0	""	""	1	1	9572137	""
"704602"	"704602"	"(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide"	"O=C1N2CCC[C@H]2CS1(=O)=O"	0	""	""	1	1	397195	""
"704604"	"704604"	"2,4-Dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid"	"CN1C(=O)N(C)c2nc3NC(Cn3c2C1=O)C(=O)O"	0	""	""	1	1	397197	""
"704607"	"704607"	"STK116989"	"O=C(NCc1cccnc1)C(=O)NCc2cccnc2"	0	""	""	1	1	397198	""
"704612"	"704612"	"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	1	1	5470700	""
"704614"	"704614"	"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC"	0	""	""	2	2	5470702	""
"704615"	"704615"	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1cc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC3)OC(=O)C)C)=N/O)cc(OC)c1OC"	0	""	""	2	2	9572139	""
"704617"	"704617"	"7,8-Dichloro-N-[2-[2-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1cn(C)c2c1ccc3cc(Cl)c(Cl)cc23)CCNC(=O)c4cn(C)c5c4ccc6cc(Cl)c(Cl)cc56"	0	""	""	2	2	397208	""
"704618"	"704618"	"7-Chloro-N-[2-[2-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1cn(C)c2c1ccc3cc(Cl)ccc23)CCNC(=O)c4cn(C)c5c4ccc6cc(Cl)ccc56"	0	""	""	2	1	397209	""
"704619"	"704619"	"7,8-Dichloro-N-[3-[3-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCCNC(=O)c1cn(C)c2c1ccc3cc(Cl)c(Cl)cc23)CCCNC(=O)c4cn(C)c5c4ccc6cc(Cl)c(Cl)cc56"	0	""	""	2	1	397210	""
"704620"	"704620"	"7-Chloro-N-[3-[3-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide"	"CN(CCCNC(=O)c1cn(C)c2c1ccc3cc(Cl)ccc23)CCCNC(=O)c4cn(C)c5c4ccc6cc(Cl)ccc56"	0	""	""	2	1	397211	""
"704622"	"704622"	"N-[2-[2-(1H-Benzo[g]indole-3-carbonylamino)ethyl-methylamino]ethyl]-1H-benzo[g]indole-3-carboxamide"	"CN(CCNC(=O)c1c[nH]c2c1ccc3ccccc23)CCNC(=O)c4c[nH]c5c4ccc6ccccc56"	0	""	""	2	1	397214	""
"704623"	"704623"	"1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbothioyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carbothioamide"	"CN(CCNC(=S)c1cn(C)c2c1ccc3ccccc23)CCNC(=S)c4cn(C)c5c4ccc6ccccc56"	0	""	""	1	1	5470705	""
"704626"	"704626"	"Indolo[3,4-d]benzazepin-6(5H)-one, 9-cyano-7,12-dihydro-"	"O=C1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1"	0	""	""	1	1	397216	""
"704634"	"704634"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6ccccc6"	0	""	""	1	1	5470706	""
"704637"	"704637"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"CCN(CC)c1ccc(\C=C\C2=NN(c3cccc(c3)S(=O)(=O)O)C4(C2)C(Cl)C(=O)N4c5nc6ccccc6s5)cc1"	0	""	""	2	1	5470709	""
"704638"	"704638"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"COc1ccccc1\C=C\C2=NN(c3cccc(c3)S(=O)(=O)O)C4(C2)C(Cl)C(=O)N4c5nc6ccccc6s5"	0	""	""	2	2	5470710	""
"704639"	"704639"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6ccccc6Cl"	0	""	""	1	1	5470711	""
"704640"	"704640"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23C(Cl)C(=O)N3c4nc5ccccc5s4)\C=C\c6cccs6"	0	""	""	1	1	5470712	""
"704641"	"704641"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"C\C=C\C=C\C1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	2	1	5470713	""
"704651"	"704651"	"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"CC(C)C\C=C\C1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	5470723	""
"704653"	"704653"	"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"OS(=O)(=O)c1cccc(c1)N2N=C(CC23SCC(=O)N3c4nc5ccccc5s4)\C=C\C=C\c6ccccc6"	0	""	""	1	1	5470725	""
"704657"	"704657"	"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid"	"CC1=NN(c2cccc(c2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	2	2	397240	""
"704663"	"704663"	"1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid"	"OC(=O)C1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)C(Cl)C(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	397246	""
"704665"	"704665"	"4-[4-(1,3-benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid"	"CC1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	397248	""
"704669"	"704669"	"4-(1,3-benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid"	"OC(=O)C1=NN(c2ccc(cc2)S(=O)(=O)O)C3(C1)SCC(=O)N3c4nc5ccccc5s4"	0	""	""	1	1	397252	""
"704782"	"704782"	"2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide"	"Sc1ccccc1C(=O)NNC(=O)c2ccccc2SSc3ccccc3C(=O)NNC(=O)c4ccccc4S"	0	""	""	2	2	397254	""
"704783"	"704783"	"RT-014053"	"O=C1NNC(=O)c2ccccc2SSc3ccccc3C(=O)NNC(=O)c4ccccc4SSc5ccccc15"	0	""	""	2	2	397255	""
"704784"	"704784"	"ACM292615419"	"Sc1ccccc1C(=O)NNC(=O)c2ccccc2S"	0	""	""	2	2	397256	""
"704787"	"704787"	"2-(2-Chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	"CC(Oc1ccccc1Cl)C(=O)NN2C(SCC2=O)c3ccc(Cl)cc3"	0	""	""	1	1	397259	""
"704788"	"704788"	"2-(2,4-Dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	"CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	397260	""
"704789"	"704789"	"2-(2,4-Dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide"	"COc1ccc(cc1)C2SCC(=O)N2NC(=O)C(C)Oc3ccc(Cl)cc3Cl"	0	""	""	1	1	397261	""
"704791"	"704791"	"2-(2-Methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide"	"CC(Oc1ccccc1C)C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	397263	""
"704795"	"704795"	"2-(2-Chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	"CC(Oc1ccccc1Cl)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccc(Cl)cc3"	0	""	""	1	1	397267	""
"704796"	"704796"	"2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide"	"CC(Oc1ccc(Cl)cc1Cl)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccccc3"	0	""	""	1	1	397268	""
"704799"	"704799"	"2-(2-Methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide"	"CC(Oc1ccccc1C)C(=O)NN2C(=O)CC(=O)N(C2=S)c3ccc(C)cc3"	0	""	""	1	1	397271	""
"704822"	"704822"	"4H-1-Benzopyran-4-one, 6,8-difluoro-7-methyl-5-(dimethyl..."	"CN(C)CC(=O)Nc1ccc(cc1F)C2=CC(=O)c3c(NC(=O)CN(C)C)c(F)c(C)c(F)c3O2"	0	""	""	1	1	397280	""
"704823"	"704823"	"4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro-7-methyl-2-[..."	"CN(C)CC(=O)Nc1ccc(cc1F)C2=CC(=O)c3c(N)c(F)c(C)c(F)c3O2"	0	""	""	3	2	397281	""
"704848"	"704848"	"1-(4-Chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea"	"Clc1ccc(NC(=S)Nc2sc3CN(CCc3c2C#N)N4CCc5c(C4)sc(NC(=S)Nc6ccc(Cl)cc6)c5C#N)cc1"	0	""	""	1	1	5470733	""
"704851"	"704851"	"1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-tr"	"CCNC(=S)\N=C\1/SC(=Nc2sc3CN(CCc3c12)N4CCc5c(C4)sc6N=C(NCC)S\C(=N/C(=S)NCC)\c56)NCC"	0	""	""	1	1	5470736	""
"704853"	"704853"	"1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,"	"S=C(NCc1ccccc1)\N=C\2/SC(=Nc3sc4CN(CCc4c23)N5CCc6c(C5)sc7N=C(NCc8ccccc8)S\C(=N/C(=S)NCc9ccccc9)\c67)NCc%10ccccc%10"	0	""	""	4	2	5470738	""
"704856"	"704856"	"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one"	"O=C1N\C(=N\N=C\c2cccs2)\N/C/1=C\c3occc3"	0	""	""	1	1	135471536	""
"704857"	"704857"	"(4Z)-2-[(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one"	"O=C1N\C(=N\N=C\c2c[nH]c3ccccc23)\N/C/1=C\c4cccs4"	0	""	""	1	1	135440628	""
"704862"	"704862"	"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one"	"OCC(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C\c2occc2)\N1"	0	""	""	1	1	135505209	""
"704863"	"704863"	"(5E)-5-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C=N\N=C/1\NC(=O)\C(=C\c2c[nH]c3ccccc23)\N1"	0	""	""	1	1	135505210	""
"704868"	"704868"	"(4Z)-2-Butylsulfanyl-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one"	"CCCCSC1=N\C(=C/c2ccc(cc2)N(C)C)\C(=O)N1"	0	""	""	1	1	135505211	""
"704873"	"704873"	"(4Z)-4-[(2-Hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"Oc1ccccc1\C=C\2/N=C(NNc3ccccc3)NC2=O"	0	""	""	1	1	135505214	""
"704875"	"704875"	"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"CN(C)c1ccc(\C=C\2/N=C(NNc3ccccc3)NC2=O)cc1"	0	""	""	1	1	135505216	""
"704881"	"704881"	"1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-bromobutyl)-5-methyl-pyrimidine-2,4-dione"	"CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)N(CCCCBr)C1=O"	0	""	""	1	1	397325	""
"704883"	"704883"	"Diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate"	"CCOC(=O)\C=C(/N1C(=O)N(C=C(C)C1=O)C2CC(N=[N+]=[N-])C(CO)O2)\C(=O)OCC"	0	""	""	1	1	5470763	""
"704885"	"704885"	"2-Butenedioic acid, 2-[5-iodo-2,4-dioxo-3-(2-propynyl)-1..."	"CCOC(=O)\C=C(\N1C=C(I)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	5470765	""
"704886"	"704886"	"2-Butenedioic acid, 2-[5-chloro-2,4-dioxo-3-(2-propynyl)..."	"CCOC(=O)\C=C(\N1C=C(Cl)C(=O)N(CC#C)C1=O)/C(=O)OCC"	0	""	""	2	2	5470766	""
"704887"	"704887"	"2-Butenedioic acid, 2-[5-chloro-3-(2-ethoxy-2-oxoethyl)-..."	"CCOC(=O)CN1C(=O)N(C=C(Cl)C1=O)\C(=C/C(=O)OCC)\C(=O)OCC"	0	""	""	2	2	5470767	""
"704888"	"704888"	"2-Butenedioic acid, 2-[5-chloro-3-(2-ethoxy-2-oxoethyl)-..."	"CCOC(=O)CN1C(=O)N(C=C(Cl)C1=O)\C(=C\C(=O)OCC)\C(=O)OCC"	0	""	""	2	2	5470768	""
"704894"	"704894"	"4-Amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one"	"CCOP(=O)(OCC)\C=C/N1C=CC(=NC1=O)N"	0	""	""	1	1	5470774	""
"704944"	"704944"	"(6R,6As,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one"	"COc1ccc2C(=O)[C@]3(O)[C@H](Oc2c1)[C@@H](OC4OC(CO)C(O)C(O)C4O)Oc5cc(OC)c(OC)cc35"	0	""	""	1	1	397341	""
"704946"	"704946"	"11-Deoxyclitoriacetal"	"COc1ccc2C(=O)[C@]3(O)[C@H](Oc2c1)C(O)Oc4cc(OC)c(OC)cc34"	0	""	""	1	1	397343	""
"704964"	"704964"	"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]b"	"COC1=CC(=O)N([C@H]1Cc2ccccc2)C(=O)[C@@H](OC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc5ccccc5)C(C)C)C(C)C)C(C)C"	0	""	""	1	1	397354	""
"704969"	"704969"	"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrroli"	"COc1ccc(CNC(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(Cc3ccccc3)Cc4ccccc4)C(C)C)cc1OC"	0	""	""	2	1	5470782	""
"704970"	"704970"	"(2S)-N-[(2R)-1-(1,3-Benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolid"	"CC(C)[C@H](NC(=O)[C@H](C(C)C)N(Cc1ccccc1)Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](C)C(=O)NCc4ccc5OCOc5c4"	0	""	""	2	1	397360	""
"704971"	"704971"	"(2S)-N-[(2R)-1-[(2,4-Dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrroli"	"CCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)NCc2ccc(OC)cc2OC"	0	""	""	2	2	397361	""
"704972"	"704972"	"(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-c"	"COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(Cc3ccccc3)Cc4ccccc4)C(C)C)c(OC)c1"	0	""	""	1	1	397362	""
"705016"	"705016"	"(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene"	"O1[C@@H]2[C@H]1c3cccc4[C@@H]5O[C@@H]5c6cccc2c6c34"	0	""	""	1	1	397363	""
"705017"	"705017"	"(2S,4R,10R,12S)-6-Nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene"	"[O-][N+](=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	2	397364	""
"705020"	"705020"	"(2R,4S,10R,12S)-6-Bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene"	"Brc1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	397367	""
"705021"	"705021"	"1-[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone"	"CC(=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	2	397368	""
"705022"	"705022"	"1-[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone"	"CC(=O)c1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	397369	""
"705023"	"705023"	"[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate"	"CC(=O)Oc1ccc2[C@H]3O[C@H]3c4cccc5[C@@H]6O[C@@H]6c1c2c45"	0	""	""	2	1	397370	""
"705024"	"705024"	"[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate"	"CC(=O)Oc1ccc2[C@H]3O[C@H]3c4cccc5[C@H]6O[C@H]6c1c2c45"	0	""	""	2	2	397371	""
"705027"	"705027"	"(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane"	"C[C@]12O[C@@]3(C)O[C@@]3(C)[C@]4(C)O[C@]4(C)[C@@]1(C)O2"	0	""	""	1	1	397374	""
"705028"	"705028"	""	"O1[C@@H]2[C@@H]3O[C@@H]3[C@@H]4O[C@@H]4[C@H]5O[C@H]5[C@H]12"	0	NA	NA	1	1	NA	""
"705079"	"705079"	"5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid"	"OC(=O)c1nc(c2ccccn2)c(nc1C(=O)O)c3ccccn3"	0	""	""	2	2	397377	""
"705084"	"705084"	"4-butanediylDihydroguaiaretic acid"	"COc1cc(CC(C)C(C)Cc2ccc(O)c(OC)c2)ccc1O"	0	""	""	2	1	161924	""
"705128"	"705128"	"(E)-1-Dimethoxyphosphorylbut-2-en-1-ol"	"COP(=O)(OC)C(O)\C=C\C"	0	""	""	2	1	5470785	""
"705144"	"705144"	"(1r,6r)-8-Ethyl-7,9-dimethyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide"	"CCP1(=O)N(C)[C@@H]2CCCC[C@H]2N1C"	0	""	""	1	1	397403	""
"705149"	"705149"	"(E)-1-[(4R,5R)-1,3-Dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol"	"OC(\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]([C@H](N2Cc4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	3	2	5470796	""
"705157"	"705157"	""	"CC(=O)OC(\C=C\c1ccccc1)P2(=O)N(CC(C)(C)C)[C@@H]3CCCC[C@H]3N2CC(C)(C)C"	0	NA	NA	2	1	NA	""
"705162"	"705162"	"3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione"	"CC(C)(C)OC(=O)NC1CC2(OC1=O)C=C(Br)C(=O)C(=C2)Br"	0	""	""	2	2	397416	""
"705163"	"705163"	"Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate"	"CCOC(=O)C1=NOC2(C1)C=C(Br)C(=O)C(=C2)Br"	0	""	""	2	2	397417	""
"705167"	"705167"	"DA-39244"	"COCOc1cc(OC)ccc1C=O"	0	""	""	1	1	397421	""
"705262"	"705262"	"ap5p197"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	397427	""
"705287"	"705287"	"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	54685701	""
"705289"	"705289"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccc(Cl)cc3"	0	""	""	1	1	5470804	""
"705290"	"705290"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H](C)C[C@@H]2[C@H](C(=O)OC)[C@@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3c(F)cccc3F)\c4ccccc4"	0	""	""	1	1	5470805	""
"705291"	"705291"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C=C\c3ccc(Cl)cc3)c4ccccc4"	0	""	""	2	2	5470806	""
"705292"	"705292"	"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)\C(=C\c3ccc(Cl)cc3)\c4ccc(Cl)cc4)c5ccccc5"	0	""	""	1	1	5470807	""
"705293"	"705293"	"3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one"	"CCSC1=C(C)C2=C(Cc3ccccc3C2)N(Cc4ccc(OC)cc4)C1=O"	0	""	""	1	1	397435	""
"705297"	"705297"	"3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methyl-benzo[g]quinolin-2-one"	"COC1=C(C)c2cc3ccccc3cc2N(Cc4ccc(OC)cc4)C1=O"	0	""	""	1	1	397439	""
"705305"	"705305"	"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] trifluoromethanesulfonate"	"COc1ccc(CN2C(=O)C(=CC3=C2c4ccccc4C3)OS(=O)(=O)C(F)(F)F)cc1"	0	""	""	2	2	397447	""
"705316"	"705316"	"22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one"	"O=C1N2CCc3c([nH]c4ccccc34)C25CC6CCCCC16S5"	0	""	""	1	1	397458	""
"705318"	"705318"	"7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one"	"O=C1N(c2ccccc2)C3(CC4CCCC14S3)c5ccccc5"	0	""	""	1	1	397460	""
"705320"	"705320"	"1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one"	"COc1ccc(CC(=O)N2CCC3(C)CC(=O)CC=C23)cc1OC"	0	""	""	1	1	397462	""
"705323"	"705323"	"Methyl 1-(6-bromo1,3-benzodioxole-5-carbonyl)indoline-5-carboxylate"	"COC(=O)c1ccc2N(CCc2c1)C(=O)c3cc4OCOc4cc3Br"	0	""	""	2	2	397465	""
"705324"	"705324"	"Methyl 5-[(6-bromo1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate"	"COC(=O)c1oc(NC(=O)c2cc3OCOc3cc2Br)cc1"	0	""	""	1	1	397466	""
"705326"	"705326"	"Tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate"	"CC(C)c1coc(c1)N(CCC(=C)C)C(=O)OC(C)(C)C"	0	""	""	1	1	397468	""
"705327"	"705327"	"(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide"	"CC(C)(C)N(Cc1ccc2OCOc2c1)C(=O)\C=C/Sc3ccccc3"	0	""	""	1	1	5470808	""
"705328"	"705328"	"(3Z)-1-Tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one"	"CC(C)(C)N1CC(C)(C(O)c2ccccc2)\C(=C\Sc3ccccc3)\C1=O"	0	""	""	1	1	5470809	""
"705330"	"705330"	"(Z)-3-(Benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide"	"CC(C)(C)N(Cc1ccc2OCOc2c1)C(=O)\C=C/S(=O)c3ccccc3"	0	""	""	2	2	5470811	"207350092"
"705331"	"705331"	"2-Propenamide, N-(1,1-dimethylethyl)-N-(phenylmethyl)- 3..."	"CC(C)(C)N(Cc1ccccc1)C(=O)\C=C/S(=O)c2ccccc2"	0	""	""	2	1	5470812	""
"705332"	"705332"	"(Z)-N-Tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide"	"CC(C)(C)NC(=O)\C(=C/Sc1ccccc1)\c2ccccc2"	0	""	""	2	1	5470813	""
"705333"	"705333"	"(4Z)-2-Tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one"	"COc1cc2CN(C(=O)\C(=C/Sc3ccccc3)\c2c(OC)c1)C(C)(C)C"	0	""	""	1	1	5470814	""
"705334"	"705334"	"2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one"	"CC(C)(C)N1Cc2ccccc2\C(=C\Sc3ccccc3)\C1=O"	0	""	""	2	1	5470815	""
"705335"	"705335"	"(Z)-N-Tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide"	"COc1cccc(CN(C(=O)\C=C/Sc2ccccc2)C(C)(C)C)c1"	0	""	""	1	1	5470816	""
"705336"	"705336"	"(Z)-N-Tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide"	"C\C(=C\c1ccccc1)\CN(C(=O)\C=C/Sc2ccccc2)C(C)(C)C"	0	""	""	2	1	5470817	""
"705435"	"705435"	"[(1S,2R)-1-Benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](\N=C\c4ccc(cc4)C(=O)O[C@H]([C@@H](NC(=O)c5ccccc5)c6ccccc6)C(=O)O[C@H]7C[C@@]8(O)[C@@H](OC(=O)c9ccccc9)[C@@H]%10[C@@]%11(CO[C@@H]%11C[C@H](O)[C@@]%10(C)C(=O)[C@H](OC(=O)C)C(=C7C)C8(C)C)OC(=O)C)c%12cc%13OCOc%13cc2%12"	0	""	""	2	2	16129931	""
"705436"	"705436"	"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-b"	"COc1cc(cc(C)c1O)[C@H]2C3C(COC3=O)[C@H](\N=C\c4ccc(cc4)C(=O)O[C@H]5C[C@H]6OC[C@@]6(OC(=O)C)[C@H]7[C@H](OC(=O)c8ccccc8)[C@]9(O)C[C@H](OC(=O)[C@H](OC(=O)c%10ccc(\C=N\[C@H]%11[C@H]%12COC(=O)[C@@H]%12[C@H](c%13cc(OC)c(O)c(OC)c%13)c%14cc%15OCOc%15cc%11%14)cc%10)[C@@H](NC(=O)c%16ccccc%16)c%17ccccc%17)C(=C([C@@H](OC(=O)C)C(=O)[C@]57C)C9(C)C)C)c%18cc%19OCOc%19cc2%18"	0	""	""	2	2	16129932	""
"705437"	"705437"	"[(1S,2R)-1-Benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)\N=C/c5ccc(cc5)C(=O)O[C@H]([C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=O)O[C@H]8C[C@@]9(O)[C@@H](OC(=O)c%10ccccc%10)[C@@H]%11[C@@]%12(CO[C@@H]%12C[C@H](O)[C@@]%11(C)C(=O)[C@H](OC(=O)C)C(=C8C)C9(C)C)OC(=O)C)c%13cc%14OCOc%14cc2%13"	0	""	""	2	2	16129933	""
"705524"	"705524"	"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-(2-nitrophenyl)-"	"[O-][N+](=O)c1ccccc1n2c3ccccc3c4ccc5C(=O)C=CC(=O)c5c24"	0	""	""	2	2	397482	""
"705533"	"705533"	"Kuanoniamine C"	"CCC(=O)NCCc1c2Nc3ccccc3c4ccnc(c5ncsc15)c24"	0	""	""	3	2	397485	"133401124"
"705534"	"705534"	"Faradiol"	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC=C1C"	0	""	""	2	2	397486	""
"705584"	"705584"	"1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione"	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O"	0	""	""	2	1	5470820	""
"705588"	"705588"	""	"Oc1ccc(\C=C\2/CCC\C(=C/c3ccc(O)c(c3)[N+](=O)[O-])\C2=O)cc1[N+](=O)[O-]"	0	NA	NA	2	1	NA	""
"705591"	"705591"	""	"COc1cc(\C=C\2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)\C2=O)cc(OC)c1O"	0	NA	NA	2	2	NA	""
"705600"	"705600"	"N-(4-Fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine"	"Fc1ccc(Nc2nnc(s2)c3ccccn3)cc1"	0	""	""	1	1	397505	""
"705627"	"705627"	"Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-"	"Nc1ccc(cc1CO)c2nc3ccccc3s2"	0	""	""	2	2	397506	""
"705636"	"705636"	"(8R,9S,10R,13S,14S,17S)-17-Acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"	"O=C1CC[C@@H]2[C@H]3CC[C@@H]4[C@H](CC[C@H]4[C@@H]3CCC2=C1)Oc5c6ccccc6nc7ccccc57"	0	""	""	1	1	397510	""
"705638"	"705638"	"[(8R,9S,13S,14S,17S)-17-Acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate"	"C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2Oc6c7ccccc7nc8ccccc68"	0	""	""	1	1	397512	""
"705701"	"705701"	"alsterpaullone"	"[O-][N+](=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	3	2	5005498	""
"705813"	"705813"	"3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-"	"CS(=O)(=O)c1nc(cc2CCCCc12)c3cc4CCCCc4c(n3)S(=O)(=O)C"	0	""	""	2	2	397515	""
"705814"	"705814"	"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline"	"CS(=O)(=O)c1nc(cc2CCCc12)c3cc4CCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	397516	""
"705815"	"705815"	"1-Methylsulfonyl-3-(1-methylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	"CS(=O)(=O)c1nc(cc2CCCCc12)c3cc4CCCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	397517	""
"705816"	"705816"	"1-Methylsulfanyl-3-(3-methylsulfanyl-1,2,4-triazin-5-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine"	"CSc1nncc(n1)c2cc3CCCc3c(SC)n2"	0	""	""	1	1	397518	""
"705819"	"705819"	"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine"	"CS(=O)(=O)c1nc(cc2CCCc12)c3cc4CCCCCc4c(n3)S(=O)(=O)C"	0	""	""	1	1	397521	""
"705840"	"705840"	"DNDI1388178"	"CC1CC(=Nc2ccccc2N1Cc3ccccc3)NC4CCCCC4"	0	""	""	2	1	135426651	""
"705842"	"705842"	"1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine"	"CC1CC(=Nc2ccccc2N1C)N3CCOCC3"	0	""	""	1	1	397534	""
"705847"	"705847"	"(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine"	"CC1CN(C)c2ccccc2N=C1NN"	0	""	""	1	1	397539	""
"705850"	"705850"	"STK533980"	"Oc1nc(S)nc2Oc3nc(S)nc(O)c3C(c4ccc(Cl)cc4)c12"	0	""	""	1	1	3003719	""
"705867"	"705867"	"1-Methyl-3-[2-(1-methylindol-3-yl)thiazol-4-yl]indole"	"Cn1cc(c2csc(n2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	1	1	397547	""
"705868"	"705868"	"2-(1H-Indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole"	"COc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccccc45"	0	""	""	2	2	397548	""
"705869"	"705869"	"2-(5-Bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	"Brc1ccc2c(c[nH]c2c1)c3csc(n3)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	1	397549	""
"705870"	"705870"	"4-(5-Bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole"	"Brc1ccc2c(c[nH]c2c1)c3nc(cs3)c4c[nH]c5ccc(Br)cc45"	0	""	""	2	2	397550	""
"705871"	"705871"	"1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-"	"Brc1ccc2[nH]cc(c3csc(n3)c4ccccn4)c2c1"	0	""	""	2	2	397551	""
"705873"	"705873"	"3-(3,4-Dihydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid"	"Cc1ccc(cc1)S(=O)(=O)NC(=O)NC(Cc2ccc(O)c(O)c2)C(=O)O"	0	""	""	1	1	397553	""
"705874"	"705874"	"1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea"	"NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c4ccccc4)cc2)cc1"	0	""	""	1	1	397554	""
"705875"	"705875"	"4-[(Aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide"	"NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N"	0	""	""	1	1	397555	""
"705885"	"705885"	"N-[4-(6H-Pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	"CS(=O)(=O)Nc1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1"	0	""	""	2	2	397557	""
"705886"	"705886"	"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride"	"COc1cc(NS(=O)(=O)C)ccc1Nc2ccnc3ccc4[nH]ccc4c23"	0	""	""	1	1	397559	""
"705887"	"705887"	"N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride"	"Cc1cc(Nc2ccc(NS(=O)(=O)C)cc2)c3c(ccc4[nH]ccc34)n1"	0	""	""	1	1	397561	""
"705889"	"705889"	"N-[4-(3,7,12-Triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride"	"CS(=O)(=O)Nc1ccc(cc1)N2Cc3c[nH]c4ccc5nccc2c5c34"	0	""	""	1	1	397565	""
"705891"	"705891"	"N-[4-(6-Methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride"	"Cc1cc2N(Cc3c[nH]c4ccc(n1)c2c34)c5ccc(NS(=O)(=O)C)cc5"	0	""	""	1	1	397569	""
"705894"	"705894"	"3-Indolizin-2-ylchromen-2-one"	"O=C1Oc2ccccc2C=C1c3cc4ccccn4c3"	0	""	""	1	1	397574	""
"705895"	"705895"	"2H-1-Benzopyran-2-one, 6-hexyl-7-hydroxy-3-(imidazo[1,2-..."	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4ccccc4n3"	0	""	""	2	2	5470855	""
"705896"	"705896"	"STL141036"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3cn4ccsc4n3"	0	""	""	4	2	5470856	""
"705897"	"705897"	"STK054773"	"O=C1Oc2ccc3ccccc3c2C=C1c4cn5c6ccccc6sc5n4"	0	""	""	1	1	397577	""
"705898"	"705898"	"(9R)-9,10-Dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"CN1C(=O)C(C2C[C@@]1(C)Oc3ccccc23)C(=O)Nc4ccccn4"	0	""	""	1	1	397578	""
"705899"	"705899"	"(9R)-N-(1-Adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"C[C@@]12CC(C(C(=O)NC34CC5CC(CC(C5)C3)C4)C(=O)N1)c6ccccc6O2"	0	""	""	1	1	397579	""
"705901"	"705901"	"2-(1-Adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione"	"O=C1NC(=CC2=C1C(=O)Oc3ccccc23)C45CC6CC(CC(C6)C4)C5"	0	""	""	2	2	397581	""
"705902"	"705902"	"16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile"	"O=C1NC23CCCCC2C(C1C#N)c4ccccc4O3"	0	""	""	1	1	397582	""
"705925"	"705925"	"EN300-25990"	"CCC1=C(C#N)C(=S)NC2=C1CCC2"	0	""	""	1	1	794510	""
"705927"	"705927"	"STK524933"	"CC1(C)CC(=O)C2=C(C1)NC(=C(C#N)C2c3ccc(Br)cc3)SCC(=O)O"	0	""	""	1	1	397586	""
"705928"	"705928"	"2-[1-[(Z)-3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile"	"COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)\C(=O)c3ccc(Cl)cc3)cc1OC"	0	""	""	2	2	5470857	""
"705930"	"705930"	"[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone"	"COc1ccc(cc1OC)C2CC(=Nc3ccccc3S2)c4cc5c(C)c(oc5cc4O)C(=O)c6ccccc6"	0	""	""	2	1	397589	""
"705931"	"705931"	"[(2R,5S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol"	"CC[C@H]1CN2CC[C@H]1C[C@H]2C(O)c3ccnc4ccc(OCCN5CCN(CCOc6ccc7nccc(C(O)[C@H]8CC9CCN8C[C@H]9CC)c7c6)CC5)cc34"	0	""	""	1	1	397590	""
"705935"	"705935"	"1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one"	"O=C1NCN(c2ccccc2)C13CCN(CCc4ccc5NC(=S)Nc5c4)CC3"	0	""	""	1	1	5470860	""
"705936"	"705936"	"5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione"	"Fc1ccc(cc1)C(=C2CCN(CCc3ccc4NC(=S)Nc4c3)CC2)c5ccc(F)cc5"	0	""	""	2	2	5470861	""
"705937"	"705937"	"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione"	"CC(C)(C)c1cc(c2SC(=S)Oc2c1O)C(C)(C)C"	0	""	""	2	1	397596	""
"705941"	"705941"	"2-[[5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidenemethyl)thiophen-2-yl]methylidene]propanedinitrile"	"N#CC(=Cc1ccc(C=C2SC3=C(SCCS3)S2)s1)C#N"	0	""	""	1	1	397600	""
"705942"	"705942"	"1,2-bis[bis(2-methylthiophenyl)phosphino]ethane"	"CSc1ccccc1P(CCP(c2ccccc2SC)c3ccccc3SC)c4ccccc4SC"	0	""	""	4	4	397601	""
"705945"	"705945"	"(2r,3r,6r)-6-(2-Hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one"	"Oc1ccccc1S[C@@H]2CC(=O)C=CC23O[C@@H]([C@H](O3)c4ccccc4)c5ccccc5"	0	""	""	2	2	397604	""
"705948"	"705948"	"3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene"	"CSc1ccsc1c2sc(cc2SC)c3cc(SC)c(s3)c4sc(cc4SC)c5cc(SC)c(s5)c6sccc6SC"	0	""	""	1	1	397607	""
"705954"	"705954"	"1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione"	"CN1P(OCCN(CCOP2N(C)C(=O)N(C)C(=O)N2C)P3(=O)NCCCO3)N(C)C(=O)N(C)C1=O"	0	""	""	1	1	397612	""
"705973"	"705973"	"10,26-Dioxabicyclo[23.3.1]nonacosa- 5,7,13,19,28-pentaen..."	"COC(CCC(=O)O)C(C)C(=O)CCC(C)C(OC)C(C)C1OC(=O)\C=C\C=C(/C)\CC(CC2=CC(=O)O[C@@H](C(C)C(CC(OC)\C=C\C(C)C(CC(OC)\C=C\C1C)OC)OC)[C@H]2O)OC"	0	""	""	2	2	5470863	""
"705995"	"705995"	"EH00087"	"N\C(=N/c1ccccc1)\c2ccccc2N"	0	""	""	1	1	397632	""
"705998"	"705998"	"EH00091"	"N\C(=N/c1ccc(Cl)cc1)\c2ccccc2N"	0	""	""	1	1	397635	""
"705999"	"705999"	"EH00093"	"N\C(=N/c1ccc(Cl)c(Cl)c1)\c2ccccc2N"	0	""	""	1	1	397636	""
"706000"	"706000"	"2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	397637	""
"706001"	"706001"	"2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNOCCONCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	1	1	397639	""
"706002"	"706002"	"2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCNCCCCNCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	397641	""
"706003"	"706003"	"2-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide"	"O=C1N(CCCNCCCCNCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56"	0	""	""	2	2	397643	""
"706008"	"706008"	""	"Cc1ccc(CNNC(=O)c2cc[n+]([BH2+3][C-]#N)cc2)cc1"	0	NA	NA	2	1	NA	""
"706010"	"706010"	"(7E)-5-Ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CCN1CC2C(N(N=C2\C(=C\c3cc(OC)c(OC)c(OC)c3)\C1)c4ccccc4)c5cc(OC)c(OC)c(OC)c5"	0	""	""	2	2	5470866	""
"706012"	"706012"	"(8E)-6-Ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione"	"CCN1C\C(=C/c2cc(OC)c(OC)c(OC)c2)\C3=C(C1)C(NC(=S)N3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	5470868	""
"706013"	"706013"	"(5Z,13E)-8-(4-Chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one"	"CCN1C\C(=C/c2ccc(Cl)cc2)\C3=C(C1)C(N4C(=N3)S\C(=C/c5ccc(Cl)cc5)\C4=O)c6ccc(Cl)cc6"	0	""	""	1	1	5470869	""
"706015"	"706015"	"RSC007125"	"CCN1C\C(=C/c2ccc(Cl)cc2)\C3=C(C1)C(C(=C(N)O3)C#N)c4ccc(Cl)cc4"	0	""	""	1	1	5285732	""
"706017"	"706017"	"16-(3',4',5'-trimethoxybenzylidene)-17a-aza-D-homo-4-and..."	"COc1cc(\C=C/2\C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)NC2=O)cc(OC)c1OC"	0	""	""	1	1	5470872	""
"706018"	"706018"	"3.beta.-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)-..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)N6CCCC6)cc(OC)c1OC"	0	""	""	2	1	5470873	""
"706019"	"706019"	"17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C=C(CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)N6CCCC6)cc(OC)c1OC"	0	""	""	2	1	5470874	""
"706023"	"706023"	"(4Z)-2-Butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one"	"CCCCSC1=N\C(=C/c2occc2)\C(=O)N1"	0	""	""	1	1	135505222	""
"706025"	"706025"	"(4Z)-4-(Furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one"	"O=C1NC(=N/C/1=C\c2occc2)NNc3ccccc3"	0	""	""	1	1	135505223	""
"706031"	"706031"	"5-Benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine"	"Cc1[nH]c2N=CN(Nc3ccccc3)C(=N)c2c1Cc4ccccc4"	0	""	""	2	2	135426658	""
"706038"	"706038"	"1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea"	"Cc1cccc2sc(NC(=O)NS(=O)(=O)n3cnc4ccccc34)nc12"	0	""	""	1	1	397676	""
"706040"	"706040"	"1-(4-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea"	"CC1=CC(=O)N=C(N1)S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2"	0	""	""	1	1	135426662	""
"706043"	"706043"	"1,3,3-Trimethyl-2-methylene-5-(1,3,3-trimethyl-2-methylene-indolin-5-yl)sulfonyl-indoline"	"CN1C(=C)C(C)(C)c2cc(ccc12)S(=O)(=O)c3ccc4N(C)C(=C)C(C)(C)c4c3"	0	""	""	1	1	397681	""
"706044"	"706044"	"4-(1H-Benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride"	"C(c1ccccc1)c2ccc(cc2)c3[nH]c4ccccc4c3\C=N\Nc5ccc(cc5)c6nc7ccccc7[nH]6"	0	""	""	2	2	135505227	""
"706089"	"706089"	""	"COC(=O)[C@@H]1O[C@]12[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C)C(=O)NC3=O"	0	NA	NA	1	1	NA	""
"706090"	"706090"	""	"CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(O[C@H]3C(=O)NO)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	2	1	NA	""
"706091"	"706091"	""	"CC1=CN([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(O[C@H]3C(=O)NN)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)NC1=O"	0	NA	NA	2	1	NA	""
"706122"	"706122"	"11-ethylpaullone"	"CCc1cccc2c3CC(=O)Nc4ccccc4c3[nH]c12"	0	""	""	1	1	397719	""
"706131"	"706131"	"Ethyl(1r,2r,4r)-4-hydroxy-4-methyl-8-oxo-2-phenyl-bicyclo[3.2.1]octane-1-carboxylate"	"CCOC(=O)[C@@]12CCC(C1=O)[C@](C)(O)C[C@@H]2c3ccccc3"	0	""	""	1	1	397723	""
"706132"	"706132"	"Methyl 8-acetyl-1-hydroxy-bicyclo[3.2.2]non-6-ene-7-carboxylate"	"COC(=O)C1=CC2CCCC1(O)C(C2)C(=O)C"	0	""	""	2	1	397724	""
"706133"	"706133"	"2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester"	"COC(=O)C1=C(O)CCCC(=C1)CCC(=O)C"	0	""	""	1	1	54685703	""
"706151"	"706151"	"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cc(ccc1\C(=N/NC(=O)c2ccc(C)cc2)\N=Nc3ccccc3C)N(CCC#N)CCC#N"	0	""	""	1	1	135505231	""
"706152"	"706152"	"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cc(ccc1\C(=N/NC(=O)c2ccc(C)cc2)\N=Nc3cccc(C)c3)N(CCC#N)CCC#N"	0	""	""	1	1	135505232	""
"706154"	"706154"	"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1ccc(cc1)N=N\C(=N\NC(=O)c2ccc(C)cc2)\c3ccc(cc3OC)N(CCC#N)CCC#N"	0	""	""	1	1	135505234	""
"706155"	"706155"	"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide"	"COc1cccc(c1)N=N\C(=N\NC(=O)c2ccc(C)cc2)\c3ccc(cc3OC)N(CCC#N)CCC#N"	0	""	""	1	1	135505235	""
"706157"	"706157"	"1-Benzyl-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-2-one"	"FC(F)(F)c1cc(nc2OC(=O)N(Cc3ccccc3)c12)c4ccccc4"	0	""	""	2	2	397734	""
"706158"	"706158"	"6-Chloro-5-phenyl-7-(trifluoromethyl)-1h-oxazolo[4,5-e]pyridin-2-one"	"FC(F)(F)c1c(Cl)c(nc2OC(=O)Nc12)c3ccccc3"	0	""	""	1	1	397735	""
"706162"	"706162"	"3-(2-Hydroxypropyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea"	"CC(O)CNC(=O)NC1=C(C=C(NC1=O)c2ccccc2)C(F)(F)F"	0	""	""	1	1	397739	""
"706168"	"706168"	"Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate"	"COC(=O)C1=C2SCc3ccc(CSC4=C(S\C(=C(\S2)/S1)\S4)C(=O)OC)cc3"	0	""	""	1	1	5470903	""
"706172"	"706172"	"(1S)-1-[[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccccc3)n2C[C@@H]4CCCN5CCCCC45"	0	""	""	2	2	397749	""
"706173"	"706173"	"(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine"	"COc1ccc(Cc2nc3cc(ccc3n2C[C@@H]4CCCN5CCCCC45)C(F)(F)F)cc1"	0	""	""	2	2	397750	""
"706174"	"706174"	"(1S)-1-[(2-Benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	"[O-][N+](=O)c1ccc2c(c1)nc(Cc3ccccc3)n2C[C@@H]4CCCN5CCCCC45"	0	""	""	1	1	397751	""
"706177"	"706177"	"3-[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cc2ccccc2)nc3cc(ccc13)C(F)(F)F"	0	""	""	1	1	397755	""
"706178"	"706178"	"3-[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"COc1ccc(Cc2nc3cc(ccc3n2CCCN(C)C)C(F)(F)F)cc1"	0	""	""	1	1	397756	""
"706179"	"706179"	"3-[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cc2ccc(Cl)cc2)nc3cc(ccc13)C(F)(F)F"	0	""	""	2	2	397757	""
"706180"	"706180"	"2-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine"	"CN(C)CCn1c(Cn2nc3ccccc3n2)nc4cc(ccc14)C(F)(F)F"	0	""	""	1	1	397758	""
"706182"	"706182"	"3-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine"	"CN(C)CCCn1c(Cn2nc3ccccc3n2)nc4cc(ccc14)C(F)(F)F"	0	""	""	1	1	397760	""
"706184"	"706184"	"1-Oxo-3a,7a-dihydrobenzo[d]dithiole-3-thione"	"O=S1SC(=S)C2C=CC=CC12"	0	""	""	1	1	397762	""
"706186"	"706186"	"3a,7a-Dihydrodithiolo[5,4-b]pyridine-3-thione"	"S=C1SSC2N=CC=CC12"	0	""	""	1	1	397764	""
"706188"	"706188"	"LFCXOXKKNZBHGK-UHFFFAOYSA-N"	"O=C1Sc2cc3ccccc3cc2C(=O)Sc4cc5ccccc5cc14"	0	""	""	2	2	397765	""
"706189"	"706189"	"2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione"	"Brc1ccc2SC(=O)c3ccccc3SC(=O)c2c1"	0	""	""	2	2	397766	""
"706190"	"706190"	"6H,14H-Benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione, ..."	"Brc1ccc2SC(=O)c3cc4ccccc4cc3SC(=O)c2c1"	0	""	""	2	1	397767	""
"706192"	"706192"	"1,1-Bis(methylsulfanyl)-2,2-diphenyl-8h-azeto[4,1-b]quinazoline"	"CSC1(SC)N2Cc3ccccc3N=C2C1(c4ccccc4)c5ccccc5"	0	""	""	2	2	397769	""
"706193"	"706193"	"1-(4-Nitrophenyl)-2,2-diphenyl-1h-azeto[4,1-b]quinazolin-8-one"	"[O-][N+](=O)c1ccc(cc1)C2N3C(=O)c4ccccc4N=C3C2(c5ccccc5)c6ccccc6"	0	""	""	1	1	397770	""
"706203"	"706203"	"(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione"	"COc1ccc(\C=C\2/CN(C)CC3C(NC(=S)N=C23)c4ccc(OC)cc4)cc1"	0	""	""	2	2	5470907	""
"706209"	"706209"	""	"CN1C\C(=C/c2cccs2)\C(=O)\C(=C\c3cccs3)\C1"	0	NA	NA	1	1	NA	""
"706211"	"706211"	"(7E)-5-Methyl-2-phenyl-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CN1CC2C(N(N=C2\C(=C\c3cccs3)\C1)c4ccccc4)c5cccs5"	0	""	""	2	2	5470914	""
"706212"	"706212"	"(8E)-6-Methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione"	"CN1CC2C(NC(=S)N=C2\C(=C\c3cccs3)\C1)c4cccs4"	0	""	""	1	1	5470915	""
"706213"	"706213"	"(8E)-2-Amino-6-methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile"	"CN1C\C(=C/c2cccs2)\C3=C(C1)C(C(=C(N)O3)C#N)c4cccs4"	0	""	""	2	2	5470916	""
"706217"	"706217"	"(7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine"	"CN1CC2C(N(C)N=C2\C(=C\c3cccs3)\C1)c4cccs4"	0	""	""	1	1	5470920	""
"706232"	"706232"	"7-Chloro-10,11-dimethoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4-dione"	"COc1cc2NC(=O)C(=O)c3cc(Cl)nc(c1OC)c23"	0	""	""	2	2	397794	""
"706234"	"706234"	"7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one"	"COc1cc2NC(=O)C(O)(CC(=O)c3ccccc3)c4cc(Cl)nc(c1OC)c24"	0	""	""	2	1	397796	""
"706236"	"706236"	"9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one"	"COc1cc2NC(=O)c3cc(cc4c(Cl)nc(c1OC)c2c34)c5ccccc5"	0	""	""	2	2	5470922	""
"706237"	"706237"	"Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate"	"CCOC(=O)COC1=Nc2cc(OC)c(OC)c3nc(Cl)cc(C1=O)c23"	0	""	""	2	2	397799	""
"706363"	"706363"	"Arsenic trioxide"	""	0	"Apo"	"FDA approved"	3	2	NA	""
"706415"	"706415"	"4-(Benzhydrylideneamino)-5-methyl-2h-1,2,4-triazol-3-one"	"CC1=NNC(=O)N1N=C(c2ccccc2)c3ccccc3"	0	""	""	1	1	397825	""
"706416"	"706416"	"5-Benzyl-4-(cyclohexylideneamino)-2h-1,2,4-triazol-3-one"	"O=C1NN=C(Cc2ccccc2)N1N=C3CCCCC3"	0	""	""	1	1	397826	""
"706420"	"706420"	"3-[(4-Chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one"	"Clc1ccc(CC2=NNC(=O)N2\N=C\c3ccc(\C=N\N4C(=O)NN=C4Cc5ccc(Cl)cc5)cc3)cc1"	0	""	""	1	1	54611479	""
"706444"	"706444"	"1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine"	"NN\C(=N/S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)\Nc3ccc(Cl)cc3"	0	""	""	1	1	9572176	""
"706446"	"706446"	"1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine"	"NN\C(=N/S(=O)(=O)c1ccc(s1)c2ccccn2)\Nc3ccc(Cl)cc3"	0	""	""	1	1	9572178	""
"706449"	"706449"	"1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine"	"NN\C(=N/S(=O)(=O)c1oc2ccccc2c1)\Nc3ccc(Cl)cc3"	0	""	""	1	1	9572181	""
"706450"	"706450"	"1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine"	"Cn1nc(cc1C(F)(F)F)c2ccc(s2)S(=O)(=O)N\C(=N\c3ccc(Cl)cc3)\NN"	0	""	""	1	1	9572182	""
"706461"	"706461"	"7-Methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3ccc(s3)c4ccccc4"	0	""	""	2	2	5470947	""
"706462"	"706462"	"7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3csc4ccccc34"	0	""	""	2	2	5470948	""
"706463"	"706463"	"7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one"	"Cc1ccc2C(=O)C=C(Nc2n1)c3sc4ccccc4c3C"	0	""	""	1	1	5470949	""
"706464"	"706464"	"1,8-Naphthyridin-4(1H)-one, 2-(benzo[b]thiophen-2-yl)-7-..."	"Cc1ccc2C(=O)C=C(Nc2n1)c3cc4ccccc4s3"	0	""	""	2	2	5470950	""
"706470"	"706470"	"Methanone, 4-methyl-1-piperazinyl-1-[[1-[(1,3-benzodioxo..."	"CN1CCN(CC1)C(=O)c2cn(Cc3cncn3Cc4ccc5OCOc5c4)cc2c6cccc7ccccc67"	0	""	""	3	2	397854	""
"706476"	"706476"	"Remangilone C"	"CC1=C(O)C(=O)C[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@@]34C"	0	""	""	1	1	397856	""
"706480"	"706480"	"(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)c6c(O)cc(O)c7C[C@H](O)[C@H](Oc67)c8ccc(O)c(O)c8"	0	""	""	1	1	397857	""
"706482"	"706482"	"[(2R,3R)-8-[(5R,5Ar,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](c4cc5OCOc5cc24)c6c(O)cc(O)c7C[C@@H](OC(=O)c8cc(O)c(O)c(O)c8)[C@H](Oc67)c9ccc(O)c(O)c9"	0	""	""	2	2	397859	""
"706484"	"706484"	"[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-Acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydrox"	"C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)F)[C@@H]1CC[C@]23C[C@]12CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5C[C@@H](OC6OC(COC(=O)C)C(O)C(O)C6O)[C@@]34C"	0	""	""	1	1	397861	""
"706485"	"706485"	"16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde"	"COc1ccc2C(=C3N(CCc4cc5OCOc5cc34)C(=O)c2c1OC)C=O"	0	""	""	1	1	397862	""
"706486"	"706486"	"2,3,9,10-Tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile"	"COc1cc2CCN3C(C#N)c4c(OC)c(OC)ccc4C=C3c2cc1OC"	0	""	""	1	1	397863	""
"706491"	"706491"	"2,2,2-Trifluoro-1-[2-isopropyl-2-methyl-4-(trifluoromethyl)-3h-benzo[h]quinazolin-6-yl]ethanone"	"CC(C)C1(C)Nc2c(cc(C(=O)C(F)(F)F)c3ccccc23)C(=N1)C(F)(F)F"	0	""	""	2	1	135426671	""
"706492"	"706492"	"STK242450"	"Cc1nc2ccccc2n1Cc3nnc4SCC(=Nn34)c5ccccc5"	0	""	""	1	1	397868	""
"706493"	"706493"	"(2r,3s)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxy-propan-1-one"	"O[C@H]([C@@H](O)c1cccc(Cl)c1)C(=O)C23CC4CC(CC(C4)C2)C3"	0	""	""	2	2	397869	""
"706496"	"706496"	"2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol"	"Oc1ccccc1C2=NOC(C2)c3ccc(cc3)C(F)(F)F"	0	""	""	2	2	397872	""
"706705"	"706705"	"Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-"	"Cc1cc(ccc1N)c2nc3c(F)cccc3s2"	0	""	""	1	1	397873	""
"706729"	"706729"	"3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol"	"CC(=CCC[C@]1(C)CC[C@]2(C)C3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]2(C)C1)C"	0	""	""	1	1	397877	""
"706730"	"706730"	"3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol acetate"	"CC(=CCC[C@]1(C)CC[C@]2(C)C3CCC(=C(C)C)[C@@H](CCCOC(=O)C)[C@]3(C)CC[C@@]2(C)C1)C"	0	""	""	1	1	397878	""
"706736"	"706736"	"9-Tert-butyl-16-methyl-4-(4-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"Cc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccc(C)cc56)C3C2=O)C(C)(C)C"	0	""	""	1	1	397880	""
"706737"	"706737"	"9-Tert-butyl-16-methyl-4-(4-phenoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione"	"Cc1ccc2[nH]c3C4C(C5CC(CCC5c3c2c1)C(C)(C)C)C(=O)N(C4=O)c6ccc(Oc7ccccc7)cc6"	0	""	""	2	2	397881	""
"706739"	"706739"	"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(di..."	"CCC1CCC2C(C1)C3C(C(=O)N(N(C)C)C3=O)c4[nH]c5ccc(C)cc5c24"	0	""	""	2	2	397883	""
"706741"	"706741"	"tert-butyl(p-tolyl)[?]dione"	"Cc1ccc(cc1)N2C(=O)C3C4CC(CCC4c5c([nH]c6ccccc56)C3C2=O)C(C)(C)C"	0	""	""	2	1	397885	""
"706743"	"706743"	"5h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6h)-..."	"COc1cc2C(=O)N(CCCNCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	397888	"308246528"
"706744"	"706744"	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(CCCNCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	"TOP1"	""	2	2	397887	"308246573"
"706806"	"706806"	"8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne"	"CC(C)(C)c1ccc2OCCCOc3cc4C#Cc5cc(ccc5OCCCOc4cc3C#Cc2c1)C(C)(C)C"	0	""	""	1	1	397891	""
"706809"	"706809"	"5-Methoxy-14,15,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,15-heptaene-12-carboxamide"	"COc1ccc2c(CCc3cc(C(=O)N)c4nnnn4c23)c1"	0	""	""	2	2	397894	""
"706829"	"706829"	"1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC6C3CC7CC4C(C5)C6(C7)c8ccc(Oc9ccc(N)cc9)cc8)cc1"	0	""	""	2	2	397904	""
"706831"	"706831"	"1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC6C3CC7CC4C(C5)C6(C7)c8ccc(Oc9ccc(N)c(O)c9)cc8)cc1O"	0	""	""	2	2	397906	""
"706833"	"706833"	"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC(CC(C5)(C3)c6ccc(Oc7ccc(N)cc7)cc6)C4)cc1"	0	""	""	2	1	397908	""
"706835"	"706835"	"1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C34CC5CC(CC(C5)(C3)c6ccc(Oc7ccc(N)c(O)c7)cc6)C4)cc1O"	0	""	""	2	1	397910	""
"706838"	"706838"	"[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate"	"COc1cc(c(OC)c2nc(COC(=O)C)n(C)c12)c3nc4ccc(nc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	6712700	""
"706965"	"706965"	".beta.-D-Glucopyranosylamine, N,N'-(iminodi-2,1-ethanedi..."	"OCC1OC(NCCNCCNC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O"	0	NA	NA	1	1	NA	"290815757"
"706978"	"706978"	"4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine"	"COc1ccc(cc1)c2c(CN3CCOCC3)sc4nc5ccccc5n24"	0	""	""	2	2	397922	""
"706979"	"706979"	"N-Ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine"	"CCN(CC)Cc1sc2nc3ccccc3n2c1c4ccc(OC)cc4"	0	""	""	1	1	397923	""
"706981"	"706981"	"3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]quinazolin-4-one"	"Clc1ccc(cc1)N2C(=Nc3ccccc3C2=O)Cc4nc(cs4)c5ccc(Cl)cc5"	0	""	""	1	1	397925	""
"706982"	"706982"	"6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one"	"COc1ccc(cc1)N2C(=Nc3c(Br)cc(Br)cc3C2=O)Cc4nc(cs4)c5ccc(OC)cc5"	0	""	""	1	1	397926	""
"706983"	"706983"	"6,8-Dibromo-3-[4-(4-methoxyphenyl)thiazol-2-yl]-2-phenyl-quinazolin-4-one"	"COc1ccc(cc1)c2csc(n2)N3C(=O)c4cc(Br)cc(Br)c4N=C3c5ccccc5"	0	""	""	1	1	397927	""
"706989"	"706989"	"tortuosine"	"COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4c(c1)c23"	0	""	""	2	2	397928	""
"706992"	"706992"	"4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one"	"NC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	10944751	""
"706993"	"706993"	"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\CCOC(=O)c5cccc6C(=O)c7ccccc7Nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	397929	""
"706994"	"706994"	"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate"	"C[C@]12CC[C@H]3[C@@H](CCC4=C\C(=N\CCOC(=O)c5cccc6cc7ccccc7nc56)\CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C"	0	""	""	1	1	397930	""
"706995"	"706995"	"Entinostat"	"Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2"	0	"HDAC"	"Clinical trial"	2	2	4261	"209783802"
"706999"	"706999"	"Cystothiazole A"	"CO[C@@H](\C=C\c1csc(n1)c2csc(n2)C(C)C)[C@@H](C)\C(=C/C(=O)OC)\OC"	0	""	""	2	2	5470965	""
"707000"	"707000"	"Arnidiol"	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CCC1=C"	0	""	""	2	1	397932	""
"707006"	"707006"	"5-Acetyl-6-(2-diethylaminoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one"	"CCN(CC)CCSC1=C(C(=O)C)C(=O)N(C(=S)N1c2ccccc2)c3ccccc3"	0	""	""	2	2	397937	""
"707019"	"707019"	"N-(5-Aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride"	"Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N(CCCCCON)OCCCN"	0	""	""	2	1	397938	""
"707020"	"707020"	"N-(3-Aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)c2c(C)cc(C)cc2C"	0	""	""	2	1	397940	""
"707021"	"707021"	"2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane"	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCN(OCCCCCO2)S(=O)(=O)c3c(C)cc(C)cc3C"	0	""	""	1	1	397942	""
"707029"	"707029"	"14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate"	"Clc1ccc2C=C3C(Cc2c1)C[N+]4=C3CCCCC4"	0	""	""	1	1	397955	""
"707031"	"707031"	"2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1ccccc1)\Nc2ccc(Cl)cc2"	0	""	""	2	2	9572188	""
"707037"	"707037"	"1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine"	"ON\C(=N/S(=O)(=O)c1ccc(s1)c2ccccn2)\Nc3ccc(Cl)cc3"	0	""	""	1	1	9572194	""
"707038"	"707038"	"2-Thiophenesulfonamide, N-[(4-chlorophenylamino)(hydroxy..."	"ON\C(=N/S(=O)(=O)C1CC=C(S1)c2ccon2)\Nc3ccc(Cl)cc3"	0	""	""	2	2	9572195	""
"707042"	"707042"	"2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)\Nc3ccc(Cl)cc3"	0	""	""	2	1	9572199	""
"707043"	"707043"	"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine"	"ON\C(=N/S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2)[N+](=O)[O-])c(Cl)c1)\Nc3ccc(Cl)cc3"	0	""	""	2	1	9572200	""
"707048"	"707048"	"Methyl (2Z)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)acetate"	"COC(=O)\C=C\1/C(=O)Nc2ccc(Br)cc12"	0	""	""	2	1	5470983	""
"707049"	"707049"	"Ethyl (2Z,5Z)-2-carbamoyl-6-(4-chlorophenyl)-3,6-dihydroxy-4-oxohexa-2,5-dienoate"	"CCOC(=O)\C(=C(/O)\C(=C\C(=O)c1ccc(Cl)cc1)\O)\C(=O)N"	0	""	""	1	1	54685705	""
"707050"	"707050"	"LS-91134"	"CN(C)c1ccc(cc1)C(=NN)c2ccc(cc2)N(C)C"	0	""	""	2	2	397978	""
"707054"	"707054"	"(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)sulfamic acid"	"OS(=O)(=O)\N=C\1/C(=O)Nc2ccc(Br)cc12"	0	""	""	1	1	135505239	""
"707055"	"707055"	"CBMicro_021216"	"Sc1nnc(NNc2ccccc2)n1Nc3ccccc3"	0	""	""	2	2	812842	""
"707058"	"707058"	"Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate"	"COC(=O)\C=C\1/C(=O)N(C(=O)C)c2ccc(Br)cc12"	0	""	""	2	1	5408868	""
"707059"	"707059"	"(Z)-N-[(Z)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide"	"O\C(=C/C(=O)c1ccc(Cl)cc1)\C(=O)N\N=C\2/C(=O)Nc3ccc(Br)cc23"	0	""	""	1	1	135426685	""
"707060"	"707060"	"STK761344"	"Cc1ccc(C(=O)\C=C(/O)\C(=C\C(=O)c2ccc(C)cc2C)\O)c(C)c1"	0	""	""	2	1	5290828	""
"707063"	"707063"	"(2Z,5Z)-3-(2-Benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione"	"O\C(=C/C(=O)c1ccccc1)\C(=C\C(=O)c2ccccc2)\NN=C(c3ccccc3)c4ccccc4"	0	""	""	1	1	5470988	""
"707067"	"707067"	"2-[(Z)-1,4-Dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide"	"NC(=O)C(=C(O)\C(=C\C(=O)c1ccccc1)\O)C(=O)N"	0	""	""	1	1	54685707	""
"707068"	"707068"	"Ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate"	"CCOC(=O)\C(=C(/O)\C(=C(/Br)\C(=O)c1ccccc1)\O)\C(=O)N"	0	""	""	2	2	54685708	""
"707075"	"707075"	"Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate"	"CCOC(=O)C(C(=O)N)C1=Nc2cc(ccc2N/C/1=C\C(=O)c3ccc(C)cc3)[N+](=O)[O-]"	0	""	""	2	1	135426689	""
"707079"	"707079"	"2-Anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide"	"CC(C)(C)C1(O)C=C(O)C(=O)N1NC(=O)c2ccccc2Nc3ccccc3"	0	""	""	1	1	398007	""
"707081"	"707081"	"STL446444"	"Cc1ccc(c(C)c1)c2cc([nH]n2)c3cc([nH]n3)c4ccc(C)cc4C"	0	""	""	2	1	398009	""
"707085"	"707085"	"(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one"	"COc1ccc(cc1)C2N(c3ccc(OC)cc3)C(O)(CC(=O)c4ccccc4)C(=C2C(=O)c5ccccc5)O"	0	""	""	2	2	5471002	""
"707086"	"707086"	"2-(3-Oxo-3,4-dihydro-2h-1,4-benzothiazin-2-ylidene)-1,3-diphenylpropane-1,3-dione"	"O=C(C(=C1Sc2ccccc2NC1=O)C(=O)c3ccccc3)c4ccccc4"	0	""	""	2	1	398013	""
"707088"	"707088"	"3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one"	"O=C(C(=C1Nc2ccccc2SC1=O)C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	135505241	""
"707090"	"707090"	"dat1"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccccc3)cc1"	0	""	""	2	2	398017	""
"707091"	"707091"	"2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-"	"O=C1CCC(=O)N1CNc2ccc3Oc4ccccc4Sc3c2"	0	""	""	1	1	398018	""
"707094"	"707094"	"4-(4-Chlorophenyl)-3-(1-phenylpent-4-enoxy)thiazole-2-thione"	"Clc1ccc(cc1)C2=CSC(=S)N2OC(CCC=C)c3ccccc3"	0	""	""	1	1	398021	""
"707106"	"707106"	"2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	"CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)c3c[nH]c4ccc(Br)cc34"	0	""	""	1	1	398033	""
"707140"	"707140"	"Cadambine"	"COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C4CN5CCc6c([nH]c7ccccc67)C5(CC13)O4"	0	""	""	1	1	398038	""
"707148"	"707148"	"Odoroside H"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)C(CC[C@]45O)C6=CC(=O)OC6)C2)C1O"	0	""	""	2	1	24202596	"18810258"
"707149"	"707149"	"Neritaloside"	"COC1C(O)C(C)OC(O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@H](C[C@]45O)OC(=O)C)C6=CC(=O)OC6)C2)C1O"	0	NA	NA	2	2	NA	"465134"
"707150"	"707150"	"(8-8a),(8'-8'a)-tetradehydroisocalycanthine 3'a(R),3'a(R)"	"CN1CC[C@]23C1=Nc4ccccc4[C@]25CCN(C)C5=Nc6ccccc36"	0	""	""	1	1	398040	""
"707181"	"707181"	"16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3.bet..."	"CN(C)c1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1"	0	""	""	1	1	5471008	""
"707211"	"707211"	"(1s,2s,3s)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol"	"COP(=O)(OC)[C@](O)([C@@H](O)[C@@H](O)c1ccccc1)c2ccccc2"	0	""	""	1	1	398049	""
"707231"	"707231"	"4-[(1S,3S,3Ar,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid"	"OC(=O)CCC[C@]1(O)O[C@@]2(CCCC2=O)[C@]3(O)CCC[C@]13O"	0	""	""	1	1	398054	""
"707389"	"707389"	"Eribulin mesilate"	"CO[C@H]1[C@@H](C[C@H](O)CN)O[C@H]2C[C@H]3OC(CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@H]7O6)CC4=C)C[C@@H](C)C3=C"	0	"TUBB"	"FDA approved"	6	3	54611489	"441045176"
"707400"	"707400"	"2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine"	"N\C(=N/c1ccc(Cl)cc1)\NS(=O)(=O)c2c(cccc2C(F)(F)F)C(F)(F)F"	0	""	""	1	1	9572209	""
"707404"	"707404"	"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine"	"N\C(=N/c1ccc(Cl)cc1)\NS(=O)(=O)c2cccc3nsnc23"	0	""	""	1	1	9572213	""
"707419"	"707419"	"3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene"	"C1Cn2ccnc2c3nc4ccccc4n3C1"	0	""	""	1	1	398072	""
"707438"	"707438"	"1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-..."	"COC(C)(C)\C=C\c1[nH]c2ccccc2c1CC(=O)NCCc3cn(cn3)C(c4ccccc4)(c5ccccc5)c6ccccc6"	0	""	""	2	2	5471025	""
"707439"	"707439"	"2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(1-tritylimidazol-4-yl)ethyl]acetamide"	"CC(=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc3cn(cn3)C(c4ccccc4)(c5ccccc5)c6ccccc6)C"	0	""	""	2	2	398074	""
"707444"	"707444"	"Ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate"	"CCOC(=O)n1cncc1CC(NC(=O)Cc2c([nH]c3ccccc23)C(=O)C=C(C)C)C(=O)OC"	0	""	""	1	1	398079	""
"707447"	"707447"	"(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate"	"CC(=O)Oc1ccc2c(Oc3cc(ccc3C24OC(=O)c5ccccc45)C(=O)C)c1"	0	""	""	1	1	398082	""
"707448"	"707448"	"2-[3,6-Bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide"	"COc1ccc(CCNC(=O)c2ccccc2C3c4ccc(OCc5ccccc5)cc4Oc6cc(OCc7ccccc7)ccc36)cc1OC"	0	""	""	1	1	398083	""
"707454"	"707454"	"N'-[3-(3-Aminopropylamino)propyl]propane-1,3-diamine;hydrobromide"	"NCCCNCCCNCCCN"	0	""	""	1	1	398090	""
"707456"	"707456"	"(E)-But-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide"	"O=CNCCCN1CCN(CCCNC=O)CC1"	0	""	""	1	1	54611530	""
"707457"	"707457"	"Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate"	"CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	398092	""
"707459"	"707459"	"[2-(Bromomethyl)-3-hydroxy-2-methyl-propyl] 4-amino-3,5-dibromo-benzoate"	"CC(CO)(CBr)COC(=O)c1cc(Br)c(N)c(Br)c1"	0	""	""	1	1	398094	""
"707461"	"707461"	"2-(3,4-Dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=S)Cc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	54611531	""
"707463"	"707463"	"2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide"	"CN([C@H]1CCCC[C@@H]1[N+]2(C)CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	398097	""
"707465"	"707465"	"2-Butenoic acid, 4-[[4,5-dichloro-2-[[[[2-(1-pyrrolidiny..."	"COC(=O)\C=C\C(=O)Nc1cc(Cl)c(Cl)cc1CC(=O)N(C)[C@H]2CCCC[C@@H]2N3CCCC3"	0	""	""	2	1	54611534	""
"707467"	"707467"	"(E)-But-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate"	"CN([C@H]1CCCC[C@H]1N2CCCC2)C(=O)OC(C)(C)C"	0	""	""	1	1	5471028	""
"707471"	"707471"	"(2S)-2-Amino-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide"	"CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@@H](N)c3ccccc3"	0	""	""	1	1	398107	""
"707474"	"707474"	"2-Hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide"	"CC(C)N(C(C)C)C(=O)C1(O)c2ccccc2C=Cc3ccccc13"	0	""	""	1	1	398109	""
"707482"	"707482"	"SNC-67"	"CCN(CC)C(=O)c1ccc(cc1)[C@H](N2C[C@H](C)N(CC=C)C[C@H]2C)c3cccc(OC)c3"	0	""	""	1	1	398116	""
"707483"	"707483"	"Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate"	"COC(=O)[C@H](C)NC(=O)[C@@H](C)N(CC=C)C(=O)OC(C)(C)C"	0	""	""	1	1	5471032	""
"707484"	"707484"	"Snc 80"	"CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3cccc(OC)c3"	0	""	""	1	1	123924	""
"707492"	"707492"	"(4R,4As,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid"	"COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O"	0	""	""	1	1	6712734	""
"707545"	"707545"	"Alvespimycin"	"CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@@H](C)[C@@H]1O)\C)\C)C2=O"	0	"HSP90"	"Clinical trial"	7	3	NA	"467214217"
"707546"	"707546"	"N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine"	"CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CC)N1C"	0	""	""	1	1	398123	""
"707547"	"707547"	"(3Ar,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole"	"CC1(C)O[C@@H]2C=C[C@H]3OC(=N[C@H]3[C@@H]2O1)c4ccccc4"	0	""	""	1	1	398124	""
"707553"	"707553"	"Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate"	"COC(=O)Nc1cc(OCCCOC(=O)C)c2[nH]c(cc2c1C[C@H](O)CO)C(=O)OC"	0	""	""	1	1	398126	""
"707557"	"707557"	"3-[[5-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol"	"OCC(O)COCn1nncc1Cn2ncc3c(SCc4ccccc4)ncnc23"	0	""	""	1	1	398130	""
"707559"	"707559"	"3-[[4-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol"	"CNc1ncnc2c1cnn2Cc3cn(COCC(O)CO)nn3"	0	""	""	1	1	398132	""
"707563"	"707563"	"(2E,4E)-5-Phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2ccc3CCCCc3c2"	0	""	""	1	1	54611498	""
"707616"	"707616"	"2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine"	"Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1"	0	""	""	4	2	398148	""
"707617"	"707617"	"2-amino-6-cyclohexylmethoxy-N(sup 9)-methylpurine"	"Cn1cnc2c(OCC3CCCCC3)nc(N)nc12"	0	""	""	1	1	398149	""
"707687"	"707687"	"DRQSTMDEXDIYTG-UHFFFAOYSA-N"	"CSc1ccccc1P(c2ccccc2SC)c3ccccc3SC"	0	""	""	1	1	398155	""
"707688"	"707688"	"12-Phenyl-9-prop-2-enyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one"	"C=CCN1C(=O)C=C(c2ccccc2)n3ncc4cccc1c34"	0	""	""	1	1	398156	""
"707690"	"707690"	"11-Butyl-4-methylfuro[3,4-b]oxanthren-1(3h)-one"	"CCCCc1c2Oc3ccccc3Oc2c(C)c4COC(=O)c14"	0	""	""	2	2	398158	""
"707691"	"707691"	"Benzamido 2-methyl-5-phenyl-4-(p-tolyl)-1h-pyrrole-3-carboxylate"	"Cc1ccc(cc1)c2c(C(=O)ONC(=O)c3ccccc3)c(C)[nH]c2c4ccccc4"	0	""	""	2	2	398159	""
"707692"	"707692"	"Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl- 1..."	"COc1cccc(c1)c2c(C(=O)ONC(=O)c3ccccc3)c(C)[nH]c2c4ccccc4"	0	""	""	2	1	398160	""
"707693"	"707693"	"Benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate"	"Cc1[nH]c(c2ccccc2)c(c3ccc(Cl)cc3)c1C(=O)ONC(=O)c4ccccc4"	0	""	""	2	1	398161	""
"707694"	"707694"	"ChemDiv1_005833"	"Nc1nc(SCc2ccccc2)c(C#N)c(c3ccc(O)cc3)c1C#N"	0	""	""	2	1	398162	""
"707696"	"707696"	"6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide"	"CC1=C(C(C(=C(N1)SCc2ccccc2)C#N)c3oc(C)cc3)C(=O)Nc4ccccc4"	0	""	""	2	2	398164	""
"707697"	"707697"	"STK834713"	"CCSC1=C(C#N)C2(CCCCC2)C3=C(CC(C)(C)CC3=O)N1"	0	""	""	1	1	398165	""
"707700"	"707700"	"4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile"	"CCCCCCCCCSC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c3ccc(OCCCC)cc3"	0	""	""	2	2	398168	""
"707701"	"707701"	"Cambridge id 5721799"	"COc1ccc(cc1)c2cc(nc(SCC(=O)O)c2C#N)C3CC3"	0	""	""	1	1	398169	""
"707772"	"707772"	"Pyrazolo[1,5-a]indolinium, 4-[[4-(dimethylamino)phenyl]m..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(C)[n+]4C)cc1"	0	""	""	2	2	5471038	""
"707773"	"707773"	"N,N-Dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(\C=C\c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	5471040	""
"707774"	"707774"	"Methyl(2r,3as)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate"	"COC(=O)[C@@]1(Cc2ccc(O)cc2)C[C@@H]3Cc4ccccc4N3N1"	0	""	""	1	1	398179	""
"707801"	"707801"	"7-Fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride"	"COc1ccc2CC3NCCC45C(Oc1c24)C(F)C=CC35O"	0	""	""	1	1	398198	""
"707817"	"707817"	"2-(2-Amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=O)Cc3cc(Cl)c(Cl)cc3N"	0	""	""	1	1	54611452	""
"707819"	"707819"	"3-(3,4-Dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride"	"CN(C1CCCC[C@@H]1N2CCCC2)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	54611453	""
"707820"	"707820"	"Benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride"	"CN(C1CCCCC1N2CCCC2)C(=O)[C@H](NC(=O)OCc3ccccc3)c4ccccc4"	0	""	""	1	1	54611454	""
"707825"	"707825"	"2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride"	"CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3cc(Cl)c(Cl)cc3N=C=S"	0	""	""	2	1	54611471	""
"707832"	"707832"	"(E)-1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c4ccc(F)cc4)CC2)cc1"	0	""	""	1	1	5471054	""
"707834"	"707834"	"STK803595"	"COc1cc(C=O)ccc1Oc2nnnn2c3ccccc3"	0	""	""	1	1	398233	""
"707839"	"707839"	"2-Bromo-1-(2,3-dimethoxyphenyl)-4-azabicyclo[3.3.1]nonane hydrobromide"	"COc1cccc(c1OC)C23CCCC(C2)NCC3Br"	0	""	""	1	1	398239	""
"707841"	"707841"	"Methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate"	"CCOc1ccc(Cc2nc3cc(NC\C=C/C(=O)OC)ccc3n2CCN(CC)CC)cc1"	0	""	""	1	1	5471055	""
"707848"	"707848"	"CFQVRXZCCTVTIK-UHFFFAOYSA-N"	"COc1ccc2CC3N(C)CCC45C(Oc1c24)C(OC)(OC)C(I)C=C35"	0	""	""	1	1	398249	""
"707904"	"707904"	"7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccccc4"	0	""	""	2	2	23661578	""
"707907"	"707907"	"6,7-Bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccc(OC)cc4"	0	""	""	2	2	24202597	""
"707909"	"707909"	"6-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one"	"COc1ccc(cc1)C2=C(C(=O)N3CCCC3C2)c4ccc(OC)c(OC)c4"	0	""	""	2	2	24202598	""
"707977"	"707977"	"Ethyl 4-(2-amino-3-cyano-4-phenyl-pyrrol-1-yl)-3-(4-chlorophenyl)-2-thioxo-thiazole-5-carboxylate"	"CCOC(=O)C1=C(N(C(=S)S1)c2ccc(Cl)cc2)n3cc(c4ccccc4)c(C#N)c3N"	0	""	""	1	1	398263	""
"707982"	"707982"	"[4-[[2-(1h-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone"	"O=C(N1CCC(CC2(OCCO2)c3cc4ccccc4[nH]3)CC1)c5ccccc5"	0	""	""	1	1	398268	""
"707983"	"707983"	"[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone"	"CCOn1c(cc2ccccc12)C3(CC4CCN(CC4)C(=O)c5ccccc5)OCCO3"	0	""	""	1	1	398269	""
"707985"	"707985"	"Methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate"	"CCC12C=CCN3CCC4(C13)C(N(C)c5cc(OC)c(cc45)C(C6Cc7ccccc7N6)c8ccc(OC)cc8)C(O)(C2O)C(=O)OC"	0	""	""	1	1	398271	""
"707993"	"707993"	"(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate"	"CN(C)C(=O)OC1=CC2CCC(C1)N2C"	0	""	""	1	1	398279	""
"708015"	"708015"	"AQ-776/42801493"	"Oc1cccc(c1)c2cn3cc(Cl)ccc3n2"	0	""	""	1	1	398301	""
"708027"	"708027"	"3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol"	"Oc1cccc(c1)c2cn3cc(ccc3n2)C(F)(F)F"	0	""	""	1	1	398313	""
"708035"	"708035"	"Phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate"	"O=C(Nc1ccc2nc(cn2c1)c3ccccc3)Oc4ccccc4"	0	""	""	1	1	398321	""
"708044"	"708044"	"Methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccccc1)(C#N)C#N"	0	""	""	2	2	5471060	""
"708045"	"708045"	"Methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccc(C)cc1)(C#N)C#N"	0	""	""	2	2	5471061	""
"708046"	"708046"	"Methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate"	"COC(=O)\C=C/C(\N=C\c1ccc(OC)cc1)(C#N)C#N"	0	""	""	2	2	5471062	""
"708047"	"708047"	"Ethyl 5-cyano-2-(3-thienyl)-1h-pyrrole-3-carboxylate"	"CCOC(=O)c1cc(C#N)[nH]c1c2ccsc2"	0	""	""	1	1	398328	""
"708048"	"708048"	"2-Butenoic acid, 4,4-dicyano-4-[[(3-thienyl)methylene]am..."	"CCOC(=O)\C=C/C(\N=C\c1ccsc1)(C#N)C#N"	0	""	""	2	2	5471063	""
"708049"	"708049"	"Piperazine-2,2,5,5-tetracarbonitrile, 3,6-dipropyl-"	"CCCC1NC(C#N)(C#N)C(CCC)NC1(C#N)C#N"	0	""	""	2	2	398330	""
"708052"	"708052"	""	"CN1CCc2cc(N)cc3c2C1Cc4ccc(O)c(O)c34"	0	""	""	1	1	398332	""
"708061"	"708061"	"3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione"	"CC1(C)C=CC(=O)C(O)C(C)(C)C1=O"	0	""	""	1	1	398341	""
"708062"	"708062"	"6-Ethoxy-2-(hydroxymethyl)-2h-pyran-3(6h)-one"	"CCOC1OC(CO)C(=O)C=C1"	0	""	""	2	2	398342	""
"708066"	"708066"	"8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol"	"CN1C2CCCc3cc(O)cc(c23)c4c(O)c(O)ccc14"	0	""	""	2	2	398346	""
"708067"	"708067"	"13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine"	"CN1CCc2cc(N)cc3c2C1Cc4ccc5OCOc5c34"	0	""	""	2	2	398347	""
"708069"	"708069"	""	"[Cl-][Au+]1(P(c2ccccc2)(c3ccccc3)c4ccccc4)P(CCCP1(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	NA	""
"708070"	"708070"	"gemmp[10]"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)OC3C(COP(=O)OC4C(COP(=O)OC5C(COP(=O)OC6C(COP(=O)OC7C(COP(=O)OC8C(COP(=O)OC9C(COP(=O)OC%10C(COP(=O)OC%11C(CO)OC(N%12C=CC(=NC%12=O)N)C%11(F)F)OC(N%13C=CC(=NC%13=O)N)C%10(F)F)OC(N%14C=CC(=NC%14=O)N)C9(F)F)OC(N%15C=CC(=NC%15=O)N)C8(F)F)OC(N%16C=CC(=NC%16=O)N)C7(F)F)OC(N%17C=CC(=NC%17=O)N)C6(F)F)OC(N%18C=CC(=NC%18=O)N)C5(F)F)OC(N%19C=CC(=NC%19=O)N)C4(F)F)OC(N%20C=CC(=NC%20=O)N)C3(F)F)C(O)C2(F)F"	0	""	""	4	4	16129935	""
"708072"	"708072"	"1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea"	"S=C(Nc1cccc(c1)C2(CCCCC2)N3CCCCC3)Nc4cccc(c4)C5(CCCCC5)N6CCCCC6"	0	""	""	1	1	5471064	""
"708073"	"708073"	"2-Amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide"	"CN(Cc1cc(Cl)c(Cl)cc1NC(=O)CN)[C@H]2CCCC[C@@H]2N3CCCC3"	0	""	""	1	1	398349	""
"708074"	"708074"	"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid"	"CNCCCNC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	2	1	54611499	""
"708080"	"708080"	"1-(1-Benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid"	"CNC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	5471068	""
"708081"	"708081"	"1-(1-Benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid"	"CN(C)C1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	5471069	""
"708087"	"708087"	"1-[1-(1-Benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid"	"C1CCCC(CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	5471072	""
"708092"	"708092"	"AYFQZGKBCJUBOZ-UHFFFAOYSA-N"	"CC(C)(C)OC(=O)NCCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	398379	""
"708094"	"708094"	"N-[1-(1-Benzothiophen-2-yl)cyclohexyl]pentanamide"	"CCCCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	398381	""
"708096"	"708096"	"1-[1-(Benzothiophen-2-yl)-4-isothiocyanato-cyclohexyl]piperidine"	"S=C=N[C@@H]1CC[C@@](CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	398383	""
"708105"	"708105"	"4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexan-1-amine"	"N[C@@H]1CC[C@@](CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	398392	""
"708106"	"708106"	"2-Amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid"	"NCC(=O)NC1(CCCCC1)c2cc3ccccc3s2"	0	""	""	1	1	5471073	""
"708123"	"708123"	"1-[1-(1-Benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid"	"C1CCN(CC1)C2(CCCC2)c3cc4ccccc4s3"	0	""	""	1	1	5471077	""
"708130"	"708130"	"Methanesulfonic acid; 2-[3-[1-(1-piperidyl)cyclohexyl]phenoxy]ethanamine"	"NCCOc1cccc(c1)C2(CCCCC2)N3CCCCC3"	0	""	""	1	1	398428	""
"708237"	"708237"	"1-[(4As,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone"	"CC(=O)C1=C(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc4ccccc4)[C@H](O)[C@@H]2S1"	0	""	""	1	1	398461	""
"708240"	"708240"	"Cbz-[Lys3]-Didemnin B"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)[C@H](C)O)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(=O)OCc5ccccc5)NC(=O)[C@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	1	1	398464	""
"708244"	"708244"	"Indolo[3,2-d]benzazepin-6(5H)-one, 9-cyano-2,3-dimethoxy..."	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)c2cc1OC"	0	""	""	2	2	398465	""
"708298"	"708298"	"AR-67"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5ccc(O)cc5c4[Si](C)(C)C(C)(C)C)C2=O"	0	"TOP1"	"Clinical trial"	2	2	6712744	"220913326"
"708371"	"708371"	"7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-"	"CCC1=C(Cc2cccc3ccccc23)N4C(CSC4=NC1=O)OCCO"	0	""	""	1	1	398467	""
"708375"	"708375"	"(1'R,2'R,8'S,10'S)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	"O=C1C[C@H](Sc2ccccc2)C3(OCCO3)[C@H]4ON5CCC[C@@H]5[C@@H]14"	0	""	""	2	2	398472	""
"708376"	"708376"	"4-(3-Thioxodithiol-4-yl)-5,6-dihydrodithiolo[5,4-b][1,4]thiazine-3-thione"	"S=C1SSC=C1N2CCSC3=C2C(=S)SS3"	0	""	""	1	1	398473	""
"708387"	"708387"	"12-Bromo-10-thia-1-azoniatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene;bromide"	"BrC1CSc2cccc3ccc[n+](C1)c23"	0	""	""	2	2	398483	""
"708390"	"708390"	"Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate"	"CC1(COS(=O)(=O)OCC2(C)COS(=O)(=O)OC2)COS(=O)(=O)OC1"	0	""	""	2	1	398487	""
"708393"	"708393"	"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile"	"Cc1nnc(SCc2nc(C#N)c(nc2CSc3nnc(C)s3)C#N)s1"	0	""	""	2	2	398490	""
"708394"	"708394"	"5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile"	"N#Cc1nc(Sc2cnsn2)c(Sc3cnsn3)nc1C#N"	0	""	""	2	2	398491	""
"708404"	"708404"	"Didemnimide A"	"O=C1NC(=O)C(=C1c2cnc[nH]2)c3c[nH]c4ccccc34"	0	""	""	1	1	398493	""
"708406"	"708406"	"Didemnimide B"	"Brc1ccc2c(c[nH]c2c1)C3=C(C(=O)NC3=O)c4cnc[nH]4"	0	""	""	1	1	398495	""
"708409"	"708409"	"[(1R,11S,12S)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3CO[C@@H](C3CO)c4cc5OCOc5cc24"	0	""	""	1	1	54611494	""
"708410"	"708410"	"(E)-1-(4-Methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	"COc1ccc(\C=N\c2nc3cc4sc(\N=C\c5ccc(OC)cc5)nc4cc3s2)cc1"	0	""	""	2	2	54611474	""
"708411"	"708411"	"(E)-N-[2-[(E)-Benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine"	"C(=N\c1nc2cc3sc(\N=C\c4ccccc4)nc3cc2s1)/c5ccccc5"	0	""	""	2	1	54611475	""
"708412"	"708412"	"(E)-1-Thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine"	"C(=N\c1nc2cc3sc(\N=C\c4cccs4)nc3cc2s1)/c5cccs5"	0	""	""	1	1	54611488	""
"708413"	"708413"	"(E,E)-3-Phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine"	"C(=C\c1ccccc1)/C=N/c2nc3cc4sc(\N=C\C=C\c5ccccc5)nc4cc3s2"	0	""	""	2	2	54611483	""
"708415"	"708415"	"2-Ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol"	"CCOc1cc(\C=N\c2nc3cc4sc(\N=C\c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O"	0	""	""	1	1	135505246	""
"708416"	"708416"	"4-[(E)-[2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2nc3cc4sc(\N=C\c5ccc(cc5)N(C)C)nc4cc3s2)cc1"	0	""	""	1	1	54611485	""
"708417"	"708417"	"2-[(E)-[2-[(E)-(2-Hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol"	"Oc1ccccc1\C=N\c2nc3cc4sc(\N=C\c5ccccc5O)nc4cc3s2"	0	""	""	2	2	135505247	""
"708419"	"708419"	"3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one"	"O=C1CSC(N1c2nc3cc4sc(nc4cc3s2)N5C(SCC5=O)c6ccccc6)c7ccccc7"	0	""	""	2	2	398508	""
"708420"	"708420"	"3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one"	"O=C1CSC(N1c2nc3cc4sc(nc4cc3s2)N5C(SCC5=O)c6cccs6)c7cccs7"	0	""	""	1	1	398509	""
"708421"	"708421"	"3-[2-[4-Oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one"	"O=C1CSC(\C=C\c2ccccc2)N1c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)\C=C\c7ccccc7"	0	""	""	2	2	5471094	""
"708422"	"708422"	"2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"CCOc1cc(ccc1O)C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccc(O)c(OCC)c7"	0	""	""	2	2	398511	""
"708423"	"708423"	"2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"CN(C)c1ccc(cc1)C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccc(cc7)N(C)C"	0	""	""	2	2	398512	""
"708424"	"708424"	"2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one"	"Oc1ccccc1C2SCC(=O)N2c3nc4cc5sc(nc5cc4s3)N6C(SCC6=O)c7ccccc7O"	0	""	""	2	2	398513	""
"708426"	"708426"	"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c[nH]c3ccc4ncccc4c23"	0	""	""	2	1	398515	""
"708428"	"708428"	"N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide"	"COc1cc(NS(=O)(=O)C)ccc1NCc2c[nH]c3ccc4nc(C)ccc4c23"	0	""	""	1	1	398517	""
"708429"	"708429"	"1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanyl-benzene"	"CC(C)(C)c1cc(c(SS(=O)(=O)O)c(O)c1O)C(C)(C)C"	0	""	""	1	1	398518	""
"708431"	"708431"	"5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one"	"CC(C)(C)c1cc(c2SCC(=O)Oc2c1O)C(C)(C)C"	0	""	""	2	1	398520	""
"708433"	"708433"	"2-(4,6-Ditert-butyl-2,3-dihydroxy-phenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol"	"CC(C)(C)c1cc(c(SC2OC(CO)C(O)C(O)C2O)c(O)c1O)C(C)(C)C"	0	""	""	2	1	398522	""
"708440"	"708440"	"3-Bromoacetamido-benzoylurea"	"NC(=O)NC(=O)c1cccc(NC(=O)CBr)c1"	0	""	""	2	2	398525	""
"708441"	"708441"	"3-Iodoacetamido-benzoylurea"	"NC(=O)NC(=O)c1cccc(NC(=O)CI)c1"	0	""	""	2	2	398526	""
"708442"	"708442"	"4-bromoacetamido-benzoylurea"	"NC(=O)NC(=O)c1ccc(NC(=O)CBr)cc1"	0	""	""	2	2	398527	""
"708443"	"708443"	"3-chloroacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CCl)c1"	0	""	""	2	1	398528	""
"708444"	"708444"	"3-Bromoacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CBr)c1"	0	""	""	2	2	398529	""
"708445"	"708445"	"3-Iodoacetamido-benzoic acid ethyl ester"	"CCOC(=O)c1cccc(NC(=O)CI)c1"	0	""	""	2	2	398530	""
"708446"	"708446"	"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)C2O"	0	""	""	2	2	398531	""
"708447"	"708447"	"[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin"	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3COP(=O)(O)OCC4OC(C(O)C4O)N5C=CC(=NC5=O)N)N6C=C(F)C(=O)NC6=O)C(O)C2O"	0	""	""	2	2	398532	""
"708472"	"708472"	"beauvericin (8ci, 9ci)"	"CC(C)C1OC(=O)C(Cc2ccccc2)N(C)C(=O)C(OC(=O)C(Cc3ccccc3)N(C)C(=O)C(OC(=O)C(Cc4ccccc4)N(C)C1=O)C(C)C)C(C)C"	0	""	""	2	1	105014	""
"708483"	"708483"	"(4-Methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone"	"COc1ccc(cc1)C(=O)c2ccc(cc2)n3cc(\C=C\[N+](=O)[O-])c4ccccc34"	0	""	""	2	2	5471105	""
"708486"	"708486"	"diindolylmethane"	"C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34"	0	""	""	1	1	3071	""
"708488"	"708488"	"(3s,6s,6As)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2h-furo[2,3-d]furan-5-one"	"CCOn1cc(C[C@@]2(O)C(=O)OC3[C@@H](O)CO[C@]23O)c4ccccc14"	0	""	""	1	1	398552	""
"708489"	"708489"	"1H-Indole-3-methanol, 1-methoxy-"	"COn1cc(CO)c2ccccc12"	0	""	""	2	2	398553	""
"708490"	"708490"	"Q63409863"	"COn1cc(C=O)c2ccccc12"	0	""	""	2	2	398554	""
"708495"	"708495"	"pancratistatin,1-o-(3-hydroxybutyryl)-"	"CC(O)CC(=O)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12"	0	""	""	2	2	398555	""
"708496"	"708496"	"1-O-(3-O-.beta.-D-glucopyranosylbutyryl)pancratistatin"	"CC(CC(=O)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(O)c4OCOc4cc3[C@@H]12)OC5OC(CO)C(O)C(O)C5O"	0	""	""	2	1	398556	""
"708534"	"708534"	"(1S,13R)-10-[2-(4-Aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride"	"C[C@H]1C2Cc3cc(O)ccc3[C@@]1(C)CCN2CCc4ccc(N)cc4"	0	""	""	1	1	398561	""
"708546"	"708546"	"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	"CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	398577	""
"708548"	"708548"	"N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide"	"CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN2CCCC2"	0	""	""	2	2	398581	""
"708550"	"708550"	"N-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide"	"CN(CCN(C)CCc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	398585	""
"708551"	"708551"	"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide"	"CN(CCCN(C)Cc1ccc(Cl)c(Cl)c1)CCN2CCCC2"	0	""	""	2	2	398587	""
"708559"	"708559"	"Benzeneacetamide, 3,4-dichloro-N-methyl-N-[3- [(methyl)[..."	"CN(CCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)CCCN2CCCC2"	0	""	""	2	2	398603	""
"708560"	"708560"	"2-(3,4-Dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid"	"Clc1ccc(CC(=O)NCCCN2CCN(CCCN3CCCCC3)CC2)cc1Cl"	0	""	""	1	1	398605	""
"708562"	"708562"	"2-(3,4-Dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid"	"CN(CCCCN1CCCC1)CCCN(C)C(=O)Cc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	398608	""
"708563"	"708563"	"2-(3,4-Dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid"	"CN(CCCCN(C)C(=O)Cc1ccc(Cl)c(Cl)c1)CCCCN2CCCC2"	0	""	""	1	1	398610	""
"708564"	"708564"	"2-(3,4-Dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid"	"CN(CCN(C)CCN1CCCC1)CCN(C)C(=O)Cc2ccc(Cl)c(Cl)c2"	0	""	""	1	1	398612	""
"708594"	"708594"	"2-[(1,3-Dimethyl-2,4-dioxo-pyrimidin-5-yl)methylene]propanedinitrile"	"CN1C=C(C=C(C#N)C#N)C(=O)N(C)C1=O"	0	""	""	1	1	398627	""
"708595"	"708595"	"2-[(2,4-Dioxo-1h-pyrimidin-5-yl)methylene]propanedinitrile"	"O=C1NC=C(C=C(C#N)C#N)C(=O)N1"	0	""	""	1	1	398628	""
"708781"	"708781"	"3-(4-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	398631	""
"708782"	"708782"	"3-(3-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(C#N)c2N=NN(C(=O)n2c1c3ccccc3)c4cccc(Cl)c4"	0	""	""	1	1	398632	""
"708785"	"708785"	"3-(4-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C(=O)n13)c4ccc(Cl)cc4"	0	""	""	1	1	398635	""
"708787"	"708787"	"6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C(=O)n13)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	398637	""
"708788"	"708788"	"3-Cyclohexyl-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"Cc1c(c2ccccc2)c(C#N)c3N=NN(C4CCCCC4)C(=O)n13"	0	""	""	1	1	398638	""
"708789"	"708789"	"3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile"	"COc1ccc(cc1)N2N=Nc3c(C#N)c(c(C)n3C2=O)c4ccccc4"	0	""	""	1	1	398639	""
"708791"	"708791"	"Bulbophyllanthrone"	"COc1ccc2c(c1)C(=O)C(=O)c3cc(O)c(OC)c(OC)c23"	0	""	""	2	2	398641	""
"708804"	"708804"	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane"	"C1CN2CCNCCN(CCN1)CC2"	0	""	""	1	1	398645	""
"708806"	"708806"	"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-"	"C(N1CCN2CCN(Cc3ccccc3)CCN(CC1)CC2)c4ccccc4"	0	""	""	2	2	398647	""
"708807"	"708807"	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane"	"C1CNCCN2CCCNCCN(C1)CC2"	0	""	""	1	1	398648	""
"708808"	"708808"	"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-"	"C(N1CCCN2CCN(Cc3ccccc3)CCCN(CC1)CC2)c4ccccc4"	0	""	""	1	1	398649	""
"708809"	"708809"	"5,11-Dimethyl-1,5,8,11-tetrazabicyclo[6.5.2]pentadecane"	"CN1CCCN2CCN(C)CCN(CC1)CC2"	0	""	""	1	1	398650	""
"708810"	"708810"	"(4-Amino-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone"	"Nc1ccc(C(=O)c2cn(CCN3CCOCC3)c4ccccc24)c5ccccc15"	0	""	""	1	1	398651	""
"708814"	"708814"	"Benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate"	"Clc1ccc(cc1)C2=NCC(=O)N(CCNC(=O)OCc3ccccc3)c4ccc(Cl)cc24"	0	""	""	1	1	398656	""
"708815"	"708815"	"1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one hydrochloride"	"NCCN1C(=O)CN=C(c2ccc(Cl)cc2)c3cc(Cl)ccc13"	0	""	""	1	1	398657	""
"708822"	"708822"	"4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride"	"CCC(CC)NC(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3cccc(OC)c3"	0	""	""	1	1	5471112	""
"708824"	"708824"	"[4-[(S)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid"	"COc1cccc(c1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)c3ccc(cc3)C(=O)N4CCCCC4"	0	""	""	1	1	398674	""
"708830"	"708830"	"5-(2-Fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one"	"CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)N=C=S"	0	""	""	1	1	398681	""
"708837"	"708837"	"(14R)-11,15-Dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione"	"COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C6(OC)C=CC35C7C6C(=O)NNC7=O"	0	""	""	1	1	398688	""
"708846"	"708846"	"4,6-Dibromo-1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine hydrochloride"	"CCOc1ccc(Cc2nc3c(Br)c(N)c(Br)cc3n2CCN(CC)CC)cc1"	0	""	""	1	1	398700	""
"708852"	"708852"	"Tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate"	"CC(C)(C)OC(=O)N1[C@@H]2Cc3ccc(N)cc3[C@@]1(C)c4ccccc24"	0	""	""	1	1	6712746	""
"708854"	"708854"	"[4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexoxy]-trimethyl-silane"	"C[Si](C)(C)OC1CCC(CC1)(N2CCCCC2)c3cc4ccccc4s3"	0	""	""	1	1	398710	""
"708857"	"708857"	"N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide"	"COc1ccccc1N2CCN(CCCCNC(=O)c3oc(cc3)[N+](=O)[O-])CC2"	0	""	""	2	2	398713	""
"708858"	"708858"	"1-[1-(5-Bromo-2-thienyl)cyclohexyl]piperidine hydrochloride"	"Brc1ccc(s1)C2(CCCCC2)N3CCCCC3"	0	""	""	1	1	398714	""
"708924"	"708924"	"Dehydroglaucine"	"COc1cc2cc3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34"	0	""	""	2	2	398788	""
"708929"	"708929"	"Neferine"	"COc1ccc(CC2N(C)CCc3cc(OC)c(Oc4cc(CC5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc23)cc1"	0	""	""	2	2	398793	""
"708931"	"708931"	"24-Methylenecholesta-5,24(28)-diene-3.beta.,5.alpha.,6.b..."	"CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C"	0	""	""	2	1	398795	""
"708935"	"708935"	"TC6"	"C[C@H](C1CC(C)(O)C(C)(O)C(O)O1)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]6(O)CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C"	0	""	""	1	1	398799	""
"708936"	"708936"	"Cimiaceroside A"	"C[C@@H]1[C@H]2OC(C)(C)[C@@H](O)[C@@]2(O)O[C@H]3C[C@@]4(C)C5=CC[C@H]6C(C)(C)[C@H](CC[C@@]67C[C@@]57CC[C@]4(C)[C@@H]13)OC8OCC(O)C(O)C8O"	0	""	""	2	1	398800	""
"708962"	"708962"	"2-[(2R,6S,14S)-5-(2-Aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol"	"CCCC(C)(O)C1CC23C=CC1(OC)[C@H]4Oc5c(OC)ccc6C[C@@H]2N(CCN)CC[C@]34c56"	0	""	""	1	1	6712750	""
"708980"	"708980"	"N-(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide"	"Clc1cc2CCC(Cc2cc1Cl)N(CCN3CCCC3)C=O"	0	""	""	1	1	398842	""
"708981"	"708981"	"Ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate"	"CCOC(=O)N(C)CCC1CC=CC(=O)C1c2cccc(OC)c2OC"	0	""	""	1	1	398844	""
"708983"	"708983"	"(9R)-4-Bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one"	"COc1cc(Br)cc2c1O[C@H]3C(=O)CC4CC23CCN4C"	0	""	""	1	1	398847	""
"708987"	"708987"	"(E)-But-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide"	"CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3ccc(Cl)cc3Cl"	0	""	""	1	1	54611514	""
"709001"	"709001"	"1-[[3,4-Bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide"	"COc1cc2CCN(C(Cc3ccc(OCc4ccccc4)c(OCc5ccccc5)c3)c2cc1O)C(=O)NCCc6ccccc6"	0	""	""	1	1	398849	""
"709079"	"709079"	"N'-(4-Chloroanilino)pyrazine-2-carboximidamide"	"N\C(=N/Nc1ccc(Cl)cc1)\c2cnccn2"	0	""	""	1	1	9572225	""
"709080"	"709080"	"4-[(2Z)-2-[Amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid"	"N\C(=N/Nc1ccc(cc1)C(=O)O)\c2cnccn2"	0	""	""	1	1	9572226	""
"709085"	"709085"	"N'-(3-Chloroanilino)pyridine-3-carboximidamide"	"N\C(=N/Nc1cccc(Cl)c1)\c2cccnc2"	0	""	""	2	2	9572231	""
"709089"	"709089"	"N'-[(E)-Benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine"	"N\C(=N/N=C/c1cc2ccccc2s1)\c3cnccn3"	0	""	""	1	1	9575101	""
"709090"	"709090"	"N'-[(E)-1,3-Benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine"	"N\C(=N/N=C/c1oc2ccccc2n1)\c3cnccn3"	0	""	""	1	1	9575105	""
"709091"	"709091"	"1-(1,3-Benzothiazol-2-yl)-3-(2-pyridyl)-1,2,4-triazaspiro[4.5]dec-3-ene"	"C1CCC2(CC1)NC(=NN2c3nc4ccccc4s3)c5ccccn5"	0	""	""	1	1	398870	""
"709096"	"709096"	"(2E,4E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\C=C\c2ccccc2"	0	""	""	2	2	54611541	""
"709098"	"709098"	"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2ccc(O)c(O)c2O"	0	""	""	2	1	5471154	""
"709099"	"709099"	"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2c(Cl)cccc2Cl"	0	""	""	2	2	5471155	""
"709100"	"709100"	"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1OC"	0	""	""	2	2	5471156	""
"709101"	"709101"	"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	"CN(C)c1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1"	0	""	""	2	2	5471157	""
"709102"	"709102"	"(E)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2ccc3OCOc3c2"	0	""	""	2	2	5471158	""
"709103"	"709103"	"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	"CCN(CC)c1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1"	0	""	""	2	2	5471159	""
"709104"	"709104"	"2-Propenone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphen..."	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c2cc[nH]n2"	0	""	""	2	2	5471160	""
"709109"	"709109"	"2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone"	"CC(C)(C)C1=CC(=C2Oc3ccccc3C=C2)C=C(C1=O)C(C)(C)C"	0	""	""	2	1	398888	""
"709112"	"709112"	"(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester"	"COC(=O)\C(=C\c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)\C#N"	0	""	""	2	1	5471164	""
"709115"	"709115"	"2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol"	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2NCCO2"	0	""	""	1	1	398894	""
"709117"	"709117"	"(5E)-5-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one"	"CC(C)(C)c1cc(\C=C/2\NC(=S)N(CC=C)C2=O)cc(c1O)C(C)(C)C"	0	""	""	1	1	5471168	""
"709125"	"709125"	"2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one"	"COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+](=O)[O-])c2cc1OC"	0	""	""	2	2	5331104	""
"709136"	"709136"	"2-[(E)-[6-(4-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	9572239	""
"709137"	"709137"	"2-[(E)-[6-(4-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	2	9572241	""
"709138"	"709138"	"2-[(E)-[6-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	2	2	9572243	""
"709148"	"709148"	"1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)CC(c12)n3cccc3"	0	""	""	2	2	398914	""
"709152"	"709152"	"Cyclopenta[c]thiophene-4,5,6-trione"	"O=C1C(=O)c2cscc2C1=O"	0	""	""	1	1	398918	""
"709153"	"709153"	"(5R,6R)-1,3-Dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one"	"O[C@@H]1[C@H](O)c2c(Br)sc(Br)c2C1=O"	0	""	""	2	2	398919	""
"709156"	"709156"	"1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one"	"BrC1CC(=O)c2c(Br)sc(Br)c12"	0	""	""	1	1	398922	""
"709157"	"709157"	"(5S,6R)-1,3-Dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"Cl[C@@H]1[C@H](Cl)c2c(Br)sc(Br)c2C1=O"	0	""	""	1	1	398923	""
"709159"	"709159"	"4-Chloro-3-methyl-1-(2,4,6-triisopropylphenyl)-1$l5-phosphacyclohex-2-ene 1-oxide"	"CC(C)c1cc(C(C)C)c(c(c1)C(C)C)P2(=O)CCC(Cl)C(=C2)C"	0	""	""	1	1	398925	""
"709237"	"709237"	"Camptothecin Derivative"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5cc(O)ccc5nc34)C2=O"	0	"TOP1"	""	2	1	398933	""
"709238"	"709238"	"Hepta-2,4-dienamide, 7-[4-(dimethylamino)phenyl]-N-hydro..."	"CC(\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C"	0	NA	NA	2	2	NA	""
"709246"	"709246"	"Jusmicranthin ethyl ether"	"CCOC1OC(=O)c2cc3ccc4OCOc4c3c(c5ccc6OCOc6c5)c12"	0	""	""	2	2	398934	""
"709250"	"709250"	"flexinine"	"O[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6cc5C3"	0	""	""	1	1	398936	""
"709251"	"709251"	"augustine"	"CO[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6cc5C3"	0	""	""	1	1	157561	""
"709257"	"709257"	"Quinoline, 7-chloro-4-[3-(2-nitroimidazolyl)propylamino]..."	"[O-][N+](=O)c1nccn1CCCNc2ccnc3cc(Cl)ccc23"	0	NA	NA	3	1	NA	""
"709311"	"709311"	"decipidone"	"CCCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)C)[C@@H](C)C[C@]2(O)C(=O)[C@@](C)(OC(=O)C)[C@@H]3[C@H](C=C[C@@H](OC(=O)C)[C@@]13COC(=O)C)C(=C)C"	0	""	""	1	1	398943	""
"709314"	"709314"	"[[3-(2-Benzyloxy-2-oxo-ethoxy)phenyl]-cyano-methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"	"CC1(C)C(C(=O)OC(C#N)c2cccc(OCC(=O)OCc3ccccc3)c2)C1(C)C"	0	""	""	1	1	398946	""
"709317"	"709317"	"Dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate"	"COC(=O)[C@@H]1[C@H]([C@H](C(=O)OC)C2(C[C@@]1(C)O)NCCS2)c3cccc(Cl)c3"	0	""	""	1	1	398949	""
"709318"	"709318"	"2-[(4-Chlorophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole"	"Clc1ccc(Cc2nc3cc(CCN4CCN(CC4)c5ccccc5)ccc3[nH]2)cc1"	0	""	""	1	1	398950	""
"709319"	"709319"	"3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione"	"CN1CSC(=S)N(C1)c2c3ccccc3nc4ccc(Br)cc24"	0	""	""	2	1	6712756	""
"709322"	"709322"	"Dimethyl(1r,2r,3r,4r)-1,4-dimethyl-2,3,4,11-tetrahydro-1h-benzo[a]carbazole-2,3-dicarboxylate"	"COC(=O)[C@@H]1[C@@H](C)c2ccc3c4ccccc4[nH]c3c2[C@H](C)[C@H]1C(=O)OC"	0	""	""	1	1	398953	""
"709340"	"709340"	"4,7-Dimethoxy-2-(methoxymethyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole"	"COCc1nc2c(OC)c(cc(OC)c2[nH]1)c3nc4ccc(cc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	398956	""
"709341"	"709341"	"2-(Ethoxymethyl)-4,7-dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole"	"CCOCc1nc2c(OC)c(cc(OC)c2[nH]1)c3nc4ccc(cc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	398957	""
"709357"	"709357"	"2-Acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one"	"CC(=O)N1N=C(N(\N=C\c2oc(cc2)[N+](=O)[O-])C1=O)c3ccccc3"	0	""	""	3	2	54611520	""
"709358"	"709358"	"1H-Pyrrole-2-carboxamide, N-[3-(dimethylamino)propyl]-1-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)c5)n(C)c4"	0	""	""	2	2	398964	""
"709359"	"709359"	"4-[4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)c6)n(C)c5)n(C)c4"	0	""	""	2	2	398965	""
"709360"	"709360"	"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide"	"O=C(NCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	1	1	5471188	""
"709361"	"709361"	"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide"	"O=C(NCCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	2	2	5471189	""
"709362"	"709362"	"Acetamide, N,N'-(1,5-pentanediyl)bis[2-(1,3,5,11a-tetrah..."	"O=C(NCCCCCNC(=O)\C=C\1/C[C@H]2C=Nc3ccccc3C(=O)N2C1)\C=C\4/C[C@H]5C=Nc6ccccc6C(=O)N5C4"	0	""	""	2	2	5471190	""
"709381"	"709381"	"(25R)-26-O-.beta.-D-glucopyranosyl-22-O-methy-5.alpaha.-..."	"COC1(CC[C@@H](C)COC2OC(CO)C(O)C(O)C2O)OC3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC9OC(C)C(O)C(O)C9O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)C3[C@@H]1C"	0	""	""	2	1	398982	""
"709432"	"709432"	"RSC000437"	"CCNc1nc(N)c(s1)C(=O)c2ccc(Cl)cc2"	0	""	""	1	1	399011	""
"709433"	"709433"	"(4-Amino-2-anilino-thiazol-5-yl)-(2-thienyl)methanone"	"Nc1nc(Nc2ccccc2)sc1C(=O)c3cccs3"	0	""	""	2	2	399012	""
"709435"	"709435"	"3-(4-Amino-2-anilino-thiazole-5-carbonyl)chromen-2-one"	"Nc1nc(Nc2ccccc2)sc1C(=O)C3=Cc4ccccc4OC3=O"	0	""	""	2	2	399014	""
"709437"	"709437"	"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-thienyl)methanone"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3cccs3)cc1"	0	""	""	2	2	399016	""
"709438"	"709438"	"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-furyl)methanone"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3occc3)cc1"	0	""	""	2	2	399017	""
"709439"	"709439"	"Methanone, [4-amino-2-[(4-methoxyphenyl)amino]-5-thiazol..."	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3c[nH]c4ccccc34)cc1"	0	""	""	2	2	399018	""
"709440"	"709440"	"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(2-thienyl)methanone"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c3cccs3"	0	""	""	1	1	399019	""
"709447"	"709447"	"5,6-Dichloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride"	"Nc1nc(nc(Cl)c1Cl)[n+]2ccc(cc2)c3ccncc3"	0	""	""	1	1	399031	""
"709475"	"709475"	"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one"	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)\C=C\c4occc4"	0	""	""	1	1	5471213	""
"709477"	"709477"	"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one"	"Clc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)\C=C\c4cccs4"	0	""	""	1	1	5471215	""
"709480"	"709480"	"3-(4-Methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)c2cn3c4ccccc4nc3c(\C=C\c5cccs5)n2"	0	""	""	1	1	5471218	""
"709481"	"709481"	"3-(4-Chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole"	"Clc1ccc(cc1)c2cn3c4ccccc4nc3c(\C=C\c5cccs5)n2"	0	""	""	1	1	5471219	""
"709482"	"709482"	"4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCOCC6)cc5"	0	""	""	2	2	399071	""
"709483"	"709483"	"4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine"	"Clc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCOCC6)cc5"	0	""	""	1	1	399072	""
"709484"	"709484"	"3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole"	"COc1ccc(cc1)C2=Cn3c(nc4ccccc34)C(=C)N2c5ccc(OCCN6CCCCC6)cc5"	0	""	""	2	1	399073	""
"709501"	"709501"	"9-Amino-7-(4-chlorophenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile"	"Nc1c(C#N)c(c2COc3ccccc3c2c1C#N)c4ccc(Cl)cc4"	0	""	""	1	1	399085	""
"709502"	"709502"	"9-Amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile"	"COc1cc(cc(OC)c1OC)c2c3COc4ccccc4c3c(C#N)c(N)c2C#N"	0	""	""	2	1	399086	""
"709504"	"709504"	"2-Amino-4-(p-tolyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile"	"Cc1ccc(cc1)C2=C(C#N)C(N)OC3=C2COc4ccccc34"	0	""	""	1	1	399088	""
"709505"	"709505"	"2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile"	"COc1cc(cc(OC)c1OC)C2=C(C#N)C(N)OC3=C2COc4ccccc34"	0	""	""	1	1	399089	""
"709507"	"709507"	"BC4154941"	"Nc1sc2COc3ccccc3c2c1C#N"	0	""	""	1	1	399091	""
"709508"	"709508"	""	"ClC1=CCC2(OC23COc4ccccc4C3=O)C=C1"	0	""	""	1	1	399092	""
"709511"	"709511"	""	"COC1=C(OC)C(=CC2(C1)OC23COc4ccccc4C3=O)OC"	0	""	""	1	1	399095	""
"709512"	"709512"	"4-Phenyltetrazolo[1,5-a]quinoxaline"	"c1ccc(cc1)c2nc3ccccc3n4nnnc24"	0	""	""	1	1	399096	""
"709515"	"709515"	"1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline"	"Clc1ccccc1c2nnc3c(nc4ccccc4n23)c5ccccc5"	0	""	""	1	1	399099	""
"709516"	"709516"	"1-(3-Methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline"	"COc1cccc(c1)c2nnc3c(nc4ccccc4n23)c5ccccc5"	0	""	""	2	2	399100	""
"709518"	"709518"	"2,5-Diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"C1N2C(=NN=C1c3ccccc3)C(=Nc4ccccc24)c5ccccc5"	0	""	""	2	2	399102	""
"709520"	"709520"	"2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"Cc1ccc(cc1)C2=NN=C3N(C2)c4ccccc4N=C3c5ccccc5"	0	""	""	2	2	399104	""
"709521"	"709521"	"2-(4-Methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline"	"COc1ccc(cc1)C2=NN=C3N(C2)c4ccccc4N=C3c5ccccc5"	0	""	""	1	1	399105	""
"709535"	"709535"	"2-(5-Anilino-1,3,4-thiadiazol-2-yl)benzo[f]chromen-3-one"	"O=C1Oc2ccc3ccccc3c2C=C1c4nnc(Nc5ccccc5)s4"	0	""	""	1	1	399116	""
"709540"	"709540"	"2-Imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide"	"COc1ccc2OC(=N)C(=Cc2c1)C(=O)Nc3cccc4ccccc34"	0	""	""	1	1	399121	""
"709553"	"709553"	"7-(Diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide"	"CCN(CC)c1ccc2C=C(C(=O)Nc3ccccc3OC)C(=N)Oc2c1"	0	""	""	1	1	399134	""
"709562"	"709562"	"N-(2,4-Dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide"	"CC12CC(C(C(=O)Nc3ccc(Cl)cc3Cl)C(=O)N1)c4ccccc4O2"	0	""	""	1	1	399143	""
"709563"	"709563"	"N-(2-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4ccccc4F)\Oc2c1"	0	""	""	1	1	135426693	""
"709564"	"709564"	"N-(2-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4cccc(F)c4)\Oc2c1"	0	""	""	1	1	135426694	""
"709566"	"709566"	"N-(2-Fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccccc3F)\C(=N\c4cccc(c4)C(F)(F)F)\Oc2c1"	0	""	""	1	1	135426695	""
"709568"	"709568"	"N-(3-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3cccc(F)c3)\C(=N\c4cccc(F)c4)\Oc2c1"	0	""	""	1	1	135426697	""
"709570"	"709570"	"N-(4-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide"	"Oc1ccc2C=C(C(=O)Nc3ccc(F)cc3)\C(=N\c4ccccc4F)\Oc2c1"	0	""	""	1	1	135426698	""
"709580"	"709580"	"6-Hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide"	"CCCCCCc1cc2C=C(C(=O)Nc3cccc(c3)C(F)(F)F)C(=N)Oc2cc1O"	0	""	""	2	2	135426702	""
"709581"	"709581"	"N-(4-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide"	"CCCCCCc1cc2C=C(C(=O)Nc3ccc(F)cc3)C(=N)Oc2cc1O"	0	""	""	1	1	135426703	""
"709582"	"709582"	"11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione"	"O=C1NC(=O)C2=Cc3c(OC2=C1)ccc4ccccc34"	0	""	""	1	1	399163	""
"709588"	"709588"	"EU-0000702"	"CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3nnc([nH]3)c4ccccc4"	0	""	""	1	1	399169	""
"709589"	"709589"	"STK065845"	"[O-][N+](=O)c1ccc(cc1)c2nnc([nH]2)C3=Cc4c(OC3=O)ccc5ccccc45"	0	""	""	1	1	399170	""
"709598"	"709598"	"Tachpyr"	"C(N[C@@H]1C[C@@H](C[C@@H](C1)NCc2ccccn2)NCc3ccccn3)c4ccccn4"	0	""	""	4	4	399175	"177660401"
"709746"	"709746"	"1-[(9r,10r)-10-Allyl-10-(4,4-dimethyl-5h-oxazol-2-yl)-9h-phenanthren-9-yl]ethanone"	"CC(=O)[C@@H]1c2ccccc2c3ccccc3[C@]1(CC=C)C4=NC(C)(C)CO4"	0	""	""	2	1	399176	""
"709748"	"709748"	"Pyridazin-3(2H)-one, 4-bromo-2-(1,1-dibromo-2-oxopropyl)..."	"COc1ccc(OC2=C(Br)C(=O)N(N=C2)C(Br)(Br)C(=O)C)cc1"	0	""	""	2	2	399178	""
"709752"	"709752"	"23-O-acetylshengmanol xyloside"	"C[C@H](C[C@@H](OC(=O)C)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)C4CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)OC7OCC(O)C(O)C7O"	0	""	""	1	1	399180	""
"709753"	"709753"	"(24S)-24-O-acetyl,-7,8-didehydroshengmanol xyloside"	"C[C@@H]1CC(O[C@@]2(O)[C@H](O)[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]3(C)[C@@H]12)OC7OCC(O)C(O)C7O)[C@H](OC(=O)C)C(C)(C)O"	0	""	""	1	1	399181	""
"709756"	"709756"	"2,3-Dimethyl-8,9-(methylenedioxy)-11H-indeno[1,2-c]isoqu..."	"COc1cc2cnc3c(Cc4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	11976942	""
"709848"	"709848"	"Tetra(N-methyl-2-pyridyl)-porphyrin Chloride"	"C[n+]1ccccc1\C\2=C\3/C=CC(=N3)\C(=C\4/N\C(=C(/C5=N\C(=C(/C6NC2C=C6)\c7cccc[n+]7C)\C=C5)\c8cccc[n+]8C)\C=C4)\c9cccc[n+]9C"	0	""	""	1	1	5471231	""
"709849"	"709849"	"17-[(3S)-3-Aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride"	"N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5cc6oc7ccccc7c6cc5Oc2c34)C(=O)O"	0	""	""	2	2	54611538	""
"709852"	"709852"	"[(9Z,17Z)-24-(3-Hydroxypropanoyloxy)tetracosa-9,17-dienyl] 3-hydroxypropanoate"	"OCCC(=O)OCCCCCCCC\C=C/CCCCCC\C=C/CCCCCCOC(=O)CCO"	0	""	""	1	1	5471233	""
"709855"	"709855"	"Methyl 4-dimethylamino-2-ethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate"	"CCc1nc2c(CCc3ccccc23)c(N(C)C)c1C(=O)OC"	0	""	""	1	1	399193	""
"709858"	"709858"	"Butanoic acid, 3,4-dihydroxy-2-methylene-, 1,3,3a,4,5,8,..."	"C\C\1=C\CC\C(=C\[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(O)CO)C(=C)OC2=O)\CO"	0	""	""	2	2	5471234	""
"709876"	"709876"	"6-Hydroxyundulatine"	"CO[C@@H]1C[C@H]2N3CC[C@]2([C@H]4O[C@@H]14)c5cc6OCOc6c(OC)c5C3O"	0	""	""	1	1	399203	""
"709882"	"709882"	"cirensenoxide g"	"CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@@]8(C)CC[C@H](O)[C@@](C)(CO)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)C(=C)C)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O"	0	""	""	2	1	399208	""
"709900"	"709900"	"Isoxazolo[5,4-d]-1,2,3-triazin-4(3H)-one, 3-(4-chlorophe..."	"Cc1noc2N=NN(C(=O)c12)c3ccc(Cl)cc3"	0	""	""	2	2	399226	""
"709906"	"709906"	"(3s,6r)-1,4-Bis(4-methoxybenzyl)-3-(1-methylethyl)-6-prop-2-yn-1-ylpiperazine-2,5-dione"	"COc1ccc(CN2[C@H](CC#C)C(=O)N(Cc3ccc(OC)cc3)[C@@H](C(C)C)C2=O)cc1"	0	""	""	1	1	399233	""
"709907"	"709907"	"N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine"	"CN(C)CCNCc1ccc2c(nc3cc(Cl)c(Cl)cc3n12)c4ccccc4"	0	""	""	3	1	399234	""
"709913"	"709913"	"2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one"	"CC1=Nc2cc(Cl)ccc2C(=O)N1c3ncc(C)s3"	0	""	""	1	1	399240	""
"709922"	"709922"	"Landomycin E"	"CC1OC(CCC1O)OC2CC(OC3C(O)CC(Oc4ccc(O)c5C(=O)C6=C(C(O)Cc7cc(C)cc(O)c67)C(=O)c45)OC3C)OC(C)C2O"	0	""	""	2	2	399246	""
"709923"	"709923"	"ZX-AH054289"	"Nc1ccc(cc1)c2nc3cc(F)ccc3s2"	0	""	""	2	2	399247	""
"709924"	"709924"	"(2S)-2-Amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride"	"C[C@H](N)C(=O)Nc1ccc(cc1C)c2nc3ccc(F)cc3s2"	0	""	""	2	2	54611546	""
"709925"	"709925"	"2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Br)c2nc3cc(F)ccc3s2"	0	""	""	2	2	399248	""
"709926"	"709926"	"IMJKFJZKKOFDFI-UHFFFAOYSA-N"	"Nc1ccc(cc1I)c2nc3cc(F)ccc3s2"	0	""	""	2	2	399249	""
"709927"	"709927"	"2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline"	"Nc1ccc(cc1Cl)c2nc3cc(F)ccc3s2"	0	""	""	2	2	399250	""
"709928"	"709928"	"N-[Dimethoxyphosphoryl(furan-2-yl)methyl]-4-[[4-[[dimethoxyphosphoryl(furan-2-yl)methyl]amino]phenyl]methyl]aniline"	"COP(=O)(OC)C(Nc1ccc(Cc2ccc(NC(c3occc3)P(=O)(OC)OC)cc2)cc1)c4occc4"	0	""	""	1	1	399251	""
"709944"	"709944"	"benzyl trisulfide"	"C(SSSCc1ccccc1)c2ccccc2"	0	""	""	2	2	122842	""
"709948"	"709948"	"[(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5ccc(Cl)nc45)[C@@H]3CC=C2C1"	0	""	""	1	1	399256	""
"709953"	"709953"	"[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5-phenyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](Cc5c4c(C)nn5c6ccccc6)[C@@H]3CC=C2C1"	0	""	""	1	1	399261	""
"709954"	"709954"	"(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3Cc5ccc(Cl)nc45"	0	""	""	2	2	399262	""
"709958"	"709958"	"Tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate"	"CC(CCCCNC(=O)OC(C)(C)C)NC(=O)NC(C)CCCCNC(=O)OC(C)(C)C"	0	""	""	1	1	399266	""
"709969"	"709969"	"(2R,6R)-9,11-Dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=O)O[C@@H]3c12"	0	""	""	2	2	399280	""
"709970"	"709970"	"(2R,6R)-9,11-Dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one"	"Brc1sc(Br)c2C(=O)[C@@H]3OC(=S)N[C@@H]3c12"	0	""	""	2	1	5471245	""
"709971"	"709971"	"7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazol-7-one, 4,6-di..."	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=S)O[C@@H]3c12"	0	""	""	2	2	5471246	""
"709974"	"709974"	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCOCC3)c4ccccc4"	0	""	""	1	1	399285	""
"709975"	"709975"	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] piperidine-1-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCCCC3)c4ccccc4"	0	""	""	1	1	399286	""
"709976"	"709976"	"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] pyrrolidine-1-carbodithioate"	"O=C(Nc1oc(nn1)c2ccccc2)C(SC(=S)N3CCCC3)c4ccccc4"	0	""	""	1	1	399287	""
"709978"	"709978"	"[1-Methyl-2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate"	"CC(SC(=S)N1CCOCC1)C(=O)Nc2oc(nn2)c3ccccc3"	0	""	""	1	1	399289	""
"709980"	"709980"	"1-Piperidinecarbodithioic acid, 2-[[5-(4-chlorophenyl)-1..."	"Clc1ccc(cc1)c2oc(NC(=O)C(SC(=S)N3CCCCC3)c4ccccc4)nn2"	0	""	""	2	1	399291	""
"709981"	"709981"	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate"	"CC(SC(=S)N(C)C)C(=O)Nc1oc(nn1)c2ccc(Cl)cc2"	0	""	""	1	1	399292	""
"709982"	"709982"	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] morpholine-4-carbodithioate"	"CC(SC(=S)N1CCOCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	399293	""
"709983"	"709983"	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] piperidine-1-carbodithioate"	"CC(SC(=S)N1CCCCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	399294	""
"709984"	"709984"	"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate"	"CC(SC(=S)N1CCCC1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3"	0	""	""	1	1	399295	""
"709985"	"709985"	"N'-(Furan-2-ylmethyl)-1H-indole-2-carbohydrazide"	"O=C(NNCc1occc1)c2cc3ccccc3[nH]2"	0	""	""	2	2	399296	""
"709986"	"709986"	"N-[Bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide"	"CN(C)c1ccc(cc1)C(=NNC(=O)c2cc3ccccc3[nH]2)c4ccc(cc4)N(C)C"	0	""	""	2	2	399297	""
"709991"	"709991"	"1-(1-Acetyl-1H-indol-3-yl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one"	"CC(=O)n1cc(C2CC23N=C(OC3=O)c4ccccc4)c5ccccc15"	0	""	""	2	1	399302	""
"709992"	"709992"	"Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester"	"COc1ccc(\C=C\2/N=C(OC2=O)c3ccccc3)cc1OC(=O)C"	0	""	""	1	1	740151	""
"709993"	"709993"	"5-Benzylsulfanyl-1-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one"	"O=C1SC(=NC12CC2c3ccccc3)SCc4ccccc4"	0	""	""	2	1	399304	""
"710002"	"710002"	"[3-Methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate"	"Cc1cc(OC(=O)Nc2ccc(Cl)cc2)ccc1C(=S)Nc3ccccc3"	0	""	""	1	1	5471249	""
"710003"	"710003"	"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate"	"Clc1ccc(NC(=O)Oc2ccc(cc2)C(=S)Nc3ccc(Br)cc3)cc1"	0	""	""	1	1	5471250	""
"710005"	"710005"	"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-methylcarbamate"	"CNC(=O)Oc1ccc(cc1)C(=S)Nc2ccc(Br)cc2"	0	""	""	1	1	5471252	""
"710006"	"710006"	"[5-Methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate"	"CC(C)c1cc(C(=S)Nc2ccccc2)c(C)cc1OC(=O)Nc3cccc4ccccc34"	0	""	""	1	1	5471253	""
"710007"	"710007"	"[2-Bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate"	"CN(C)C(=O)Oc1ccc(cc1Br)C(=S)Nc2ccccc2"	0	""	""	1	1	5471254	""
"710008"	"710008"	"[4-(Butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate"	"CCCCNC(=S)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1"	0	""	""	1	1	5471255	""
"710013"	"710013"	"Ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate"	"CCOC(=O)NC(=S)c1ccc(O)c2ccccc12"	0	""	""	1	1	135426705	""
"710018"	"710018"	"5-(Diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide"	"CCN(CC)Cc1ccc(s1)C(=S)Nc2ccc(C)cc2"	0	""	""	1	1	5471261	""
"710022"	"710022"	"N-(4-Chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide"	"Clc1ccc(NC(=S)c2ccc(CN3CCCCC3)s2)cc1"	0	""	""	1	1	5471265	""
"710071"	"710071"	"2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A"	"COc1ccc(CS[C@@H]2CC(=O)O[C@@H](C)CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1"	0	""	""	1	1	10917077	""
"710080"	"710080"	"2,4-Dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide"	"Clc1ccc(cc1)S(=O)(=O)c2ccsc2NC(=O)c3ccc(Cl)cc3Cl"	0	""	""	2	1	399372	""
"710091"	"710091"	"Digitonin"	"CC1CC[C@@]2(OC1)O[C@H]3[C@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10OC%11OC(CO)C(O)C(O)C%11O)C(O)C7O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C"	0	""	""	1	1	399374	"11024241"
"710099"	"710099"	"[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol"	"Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC3(CO)CCC(CCc4ccccc4)C3)n1"	0	""	""	2	2	399379	""
"710100"	"710100"	"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride"	"Nc1nc(Cl)c(N)c(NCC2(CO)CCC(CCc3ccccc3)C2)n1"	0	""	""	2	2	399380	""
"710101"	"710101"	"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyl-cyclopentyl]methanol"	"Nc1nc(Cl)cc(NCC2(CO)CCC(Cc3ccccc3)C2)n1"	0	""	""	2	2	399382	""
"710103"	"710103"	"(3Z)-5-Chloro-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one"	"Sc1nnc(c2ccncc2)n1\N=C\3/C(=O)N(CN4CCCCC4)c5ccc(Cl)cc35"	0	""	""	1	1	9572273	""
"710107"	"710107"	"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(morpholin-4-ylmethyl)indol-2-one"	"Cc1ccc(cc1)c2cc(nc(\N=C\3/C(=O)N(CN4CCOCC4)c5ccc(Cl)cc35)n2)c6ccc(Cl)cc6"	0	""	""	1	1	9572277	""
"710109"	"710109"	"3-[(Z)-[5-Chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one"	"CSC1=Nc2ccccc2C(=O)N1\N=C\3/C(=O)N(CN4CCCCC4)c5ccc(Cl)cc35"	0	""	""	1	1	9572278	""
"710110"	"710110"	"3-[(Z)-[5-Chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one"	"CSC1=Nc2ccccc2C(=O)N1\N=C\3/C(=O)N(CN4CCOCC4)c5ccc(Cl)cc35"	0	""	""	1	1	9572279	""
"710111"	"710111"	"7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxoindol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CN4C(=O)\C(=N/c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)\c7cc(Cl)ccc47)CC3"	0	""	""	1	1	9572280	""
"710112"	"710112"	"7-[4-[[5-Chloro-2-hydroxy-3-(pyridine-4-carbonyldiazenyl)indol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid"	"CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CN4C(=O)\C(=N/NC(=O)c5ccncc5)\c6cc(Cl)ccc46)CC3"	0	""	""	1	1	399393	""
"710113"	"710113"	"Dimethyl 3-(4-chlorophenyl)-9-methyl-carbazole-1,2-dicarboxylate"	"COC(=O)c1c(cc2c3ccccc3n(C)c2c1C(=O)OC)c4ccc(Cl)cc4"	0	""	""	1	1	399394	""
"710116"	"710116"	"3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one"	"O=C1N2CCCNC2c3cccc4cccc1c34"	0	""	""	1	1	6712761	""
"710117"	"710117"	"3-Benzhydryloxy-1,2-benzoxazole"	"O(C(c1ccccc1)c2ccccc2)c3noc4ccccc34"	0	""	""	1	1	399396	""
"710118"	"710118"	"5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol"	"OC1(N2CCN=C2c3ccccc13)C4(CCCC4)c5ccc(Cl)cc5"	0	""	""	1	1	399397	""
"710121"	"710121"	"2-[[3-(4-Chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol"	"CC1(N=C(NCCO)c2ccccc12)c3ccc(Cl)cc3"	0	""	""	2	2	135426706	""
"710181"	"710181"	"2-Acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one"	"COc1cc(\C=N\N2C(=O)N(N=C2c3ccccc3)C(=O)C)cc(OC)c1OC"	0	""	""	2	2	9572282	""
"710184"	"710184"	"2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene"	"Cc1c2cccc2ccc3c4ccccc4[nH]c13"	0	""	""	2	1	399411	""
"710185"	"710185"	"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl acetate"	"CC(=O)OCCOc1cc2c3ccccc3[nH]c2c(C)c4cccc14"	0	""	""	2	1	399412	""
"710196"	"710196"	"2,6-Diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride"	"Cc1cc(ccc1NC(=O)C(N)CCCCN)c2nc3ccc(F)cc3s2"	0	""	""	4	4	399419	""
"710203"	"710203"	"Obtusol"	"C[C@]1(Br)CC[C@]2(C[C@@H]1Cl)C(=C)C[C@@H](O)[C@@H](Br)C2(C)C"	0	""	""	2	2	399421	"73494221"
"710204"	"710204"	"Naviculyl Caffeate"	"C[C@@H]1CC[C@@]2(C)[C@H](C)\C(=C/COC(=O)\C=C\c3ccc(O)c(O)c3)\CC[C@@]12C"	0	""	""	1	1	5471279	""
"710207"	"710207"	"1-decarboxy-3-oxo-ceanothic acid"	"CC(=C)[C@@H]1CCC2(CCC3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)C5CC[C@@]34C)C12)C(=O)O"	0	""	""	1	1	399425	""
"710264"	"710264"	"HX-0835"	"COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(OC)c1"	0	""	""	2	2	5471280	""
"710265"	"710265"	"2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone"	"COc1ccc(C(=O)\C=C\c2cc(O)c(O)cc2F)c(OC)c1"	0	""	""	2	2	5471281	""
"710266"	"710266"	"(E)-1-(2,5-Dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one"	"COc1ccc(OC)c(c1)C(=O)\C=C\c2cc(O)c(O)cc2F"	0	""	""	2	2	5471282	""
"710267"	"710267"	"(E)-1-(2,4-Dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2F)c(OC)c1"	0	""	""	2	2	5471283	""
"710268"	"710268"	"(E)-3-(2,3-Difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2cc(O)c(O)c(F)c2F)c(OC)c1"	0	""	""	1	1	5471284	""
"710270"	"710270"	"Karenitecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5ccccc5nc34)C2=O"	0	"TOP1"	"Clinical trial"	2	2	148202	""
"710271"	"710271"	"4-[5-[4-[5-(4-Pyridyl)-2-furyl]phenyl]-2-furyl]pyridine"	"o1c(ccc1c2ccc(cc2)c3oc(cc3)c4ccncc4)c5ccncc5"	0	""	""	1	1	399432	""
"710272"	"710272"	"4,4'-[Oxybis(4,1-phenylene)]dipyridine"	"O(c1ccc(cc1)c2ccncc2)c3ccc(cc3)c4ccncc4"	0	""	""	2	2	399433	""
"710280"	"710280"	"N-[(Z)-1-(1-Adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride"	"Brc1ccc(N\C(=C/C=N/c2ccc(Br)cc2)\C34CC5CC(CC(C5)C3)C4)cc1"	0	""	""	2	2	5471287	""
"710281"	"710281"	"Ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride"	"CCOC(=O)c1ccc(N\C(=C/C=N/c2ccc(cc2)C(=O)OCC)\C34CC5CC(CC(C5)C3)C4)cc1"	0	""	""	1	1	5471289	""
"710282"	"710282"	"N-[(1Z)-1,2-Dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline"	"Cc1cc(C)n(CC(=C(\C(=C(\Cl)/Nc2ccc(cc2)[N+](=O)[O-])\Cl)[N+](=O)[O-])Cn3nc(C)cc3C)n1"	0	""	""	2	1	5471291	""
"710287"	"710287"	"[4,7-Dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methyl acetate"	"COc1cc(c(OC)c2nc(COC(=O)C)[nH]c12)c3nc4ccc(nc4[nH]3)N5CCN(C)CC5"	0	""	""	1	1	6712765	""
"710295"	"710295"	"Bradykinin Antagonist"	"NC(=N)NCCC[C@@H](NC(=N)CCCCCCC(=N)N[C@H](CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)NC(C3Cc4ccccc4C3)C(=O)NC(CO)C(=O)N[C@H](C5Cc6ccccc6C5)C(=O)N7C8CCCCC8CC7C(=O)NC(CCCNC(=N)N)C(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N9CCCC9C(=O)N%10C[C@H](O)C[C@H]%10C(=O)NCC(=O)NC(C%11Cc%12ccccc%12C%11)C(=O)NC(CO)C(=O)N[C@H](C%13Cc%14ccccc%14C%13)C(=O)N%15C%16CCCCC%16CC%15C(=O)NC(CCCNC(=N)N)C(=O)O"	0	""	""	1	1	16134278	""
"710297"	"710297"	"PX-316"	"CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@H]1O)OC"	0	"PK:STK"	"Clinical trial"	1	1	399457	"213388411"
"710305"	"710305"	"Hexanamide, 2,6-diamino-N-[2-methyl-4-(5-fluoro-2-benzo ..."	"Cc1cc(ccc1NC(=O)[C@@H](N)CCCCN)c2nc3cc(F)ccc3s2"	0	""	""	2	2	399464	""
"710320"	"710320"	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide"	"Cc1nn2c(C(=O)N\N=C\c3ccccc3O)c(C)nc2s1"	0	""	""	1	1	135436146	""
"710326"	"710326"	"3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one"	"CN\C(=N/N=C/1\C(=O)Nc2ccccc12)\SCC(=O)c3ccc(Br)cc3"	0	""	""	2	2	399475	""
"710328"	"710328"	"3-(4-Chlorophenyl)-6-(1-methylindol-3-yl)-2H-1,2,4-triazin-5-one"	"Cn1cc(C2=NNC(=NC2=O)c3ccc(Cl)cc3)c4ccccc14"	0	""	""	2	2	135426708	""
"710333"	"710333"	"(E)-But-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine"	"NC1CCN(CC1)c2nc3ccccc3c4CCCCc24"	0	""	""	2	1	5471308	""
"710334"	"710334"	"[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)-4-piperidyl]methanamine"	"NCC1CCN(CC1)c2nc3ccccc3c4CCCCc24"	0	""	""	2	1	399484	""
"710336"	"710336"	"Dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=N/n1cc(C(=O)OC)c(C(=O)OC)c1c2ccc(C)cc2)\c3ccc(C)cc3)\C(=O)OC"	0	""	""	2	2	9572290	""
"710340"	"710340"	"Artelastin"	"CC(=CCc1c(O)c(CC=C(C)C)c2OC3=C(C(Oc4cc(O)ccc34)C=C(C)C)C(=O)c2c1O)C"	0	""	""	2	1	399488	"182052057"
"710341"	"710341"	"Artelastochromene"	"CC(=CCc1c2OC(C)(C)C=Cc2c(O)c3C(=O)C4=C(Oc13)c5ccc(O)cc5OC4C=C(C)C)C"	0	""	""	2	1	5471310	"182052091"
"710342"	"710342"	"Artelasticin"	"CC(=CCC1=C(Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C1=O)c3ccc(O)cc3O)C"	0	""	""	2	1	5471311	"182052137"
"710343"	"710343"	"Artocarpesin"	"CC(=CCc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3O)C"	0	""	""	2	1	399491	"3162092"
"710351"	"710351"	"Achilleol A"	"CC(=CCC\C(=C\CC\C(=C\CC\C=C(/C)\CC[C@@H]1C(=C)CC[C@H](O)C1(C)C)\C)\C)C"	0	""	""	1	1	5471312	""
"710352"	"710352"	"Bryodulcosigenin"	"C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	1	1	399493	""
"710353"	"710353"	"Cabenoside D"	"C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](OC5OC(CO)C(O)C(O)C5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C"	0	""	""	1	1	399494	""
"710359"	"710359"	"N-[(Z)-[Amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide"	"N\C(=N/NC(=O)c1nc2ccccc2s1)\c3ccccn3"	0	""	""	2	2	9572291	""
"710362"	"710362"	"[3,5-Diacetoxy-2-(acetoxymethyl)-6-[(2-thioxo-1-pyridyl)oxy]tetrahydropyran-4-yl] acetate"	"CC(=O)OCC1OC(ON2C=CC=CC2=S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	399501	""
"710365"	"710365"	"2-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione"	"CC(=O)C([C@@H]1OC(C)(C)O[C@@H]1[C@H]2COC(C)(C)O2)C(=O)c3ccc(C)cc3"	0	""	""	2	2	399504	""
"710373"	"710373"	"1-N,4-N-Bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine"	"Cc1sc(Nc2ccc(Nc3nc(c(C)s3)c4ccccc4)cc2)nc1c5ccccc5"	0	""	""	1	1	399510	""
"710374"	"710374"	"2-[(E)-Benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one"	"Cc1c(NC2(C)C(=O)N(\N=C\c3ccccc3)N=C2c4ccccc4)[nH]nc1c5ccccc5"	0	""	""	2	2	9572292	""
"710386"	"710386"	"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)pro"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)N=O)[C@](O)([C@@H]2O)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)OC"	0	""	""	1	1	399523	""
"710387"	"710387"	"Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	"CCOC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OCC)C(=O)OCC)C(=O)SS3)C(=O)OCC"	0	""	""	2	2	399524	""
"710390"	"710390"	"Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate"	"COC(=O)C1=CSC2(S1)C3=C(SC=C2C(=O)OC)C(=O)SS3"	0	""	""	2	2	399526	""
"710391"	"710391"	"2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione"	"O=C(C1=C(C(=O)c2ccccc2)C(=O)C3=C(S1)C(=O)C(=C(S3)C(=O)c4ccccc4)C(=O)c5ccccc5)c6ccccc6"	0	""	""	1	1	399527	""
"710392"	"710392"	"4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one"	"O=C(C1=C(SC2(S1)C3=C(SC(=C2C(=O)c4ccccc4)C(=O)c5ccccc5)C(=O)SS3)C(=O)c6ccccc6)c7ccccc7"	0	""	""	1	1	399528	""
"710393"	"710393"	"Dimethyl(4z,6z)-4,6-bis[(4-methoxyphenyl)imino]thieno[4,5-c]thiophene-2,3-dicarboxylate"	"COC(=O)c1sc2\C(=N\c3ccc(OC)cc3)\S\C(=N/c4ccc(OC)cc4)\c2c1C(=O)OC"	0	""	""	2	1	399529	""
"710396"	"710396"	"3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol"	"Cc1ccc2C(=C3C(Nc4ccccc34)Oc2c1)O"	0	""	""	1	1	399532	""
"710402"	"710402"	"2-(2-Pyridylsulfanyl)-6-(trifluoromethyl)quinoxaline"	"FC(F)(F)c1ccc2nc(Sc3ccccn3)cnc2c1"	0	""	""	1	1	399538	""
"710403"	"710403"	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3ccccc3n4cccc24)cc1)C(=O)OCC"	0	""	""	1	1	399539	""
"710404"	"710404"	"4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline"	"COc1cc(OCc2nc3ccccc3n4cccc24)cc(OC)c1OC"	0	""	""	2	2	399540	""
"710405"	"710405"	"Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(c(Cl)nc3c2)c4ccccc4)c5ccccc15)C(=O)OCC"	0	""	""	1	1	399541	""
"710406"	"710406"	"Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)c4ccccc14)C(=O)OCC"	0	""	""	1	1	399542	""
"710412"	"710412"	"1-(2,4-Dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCNC(=O)c1nn(c2ccc(Cl)cc2Cl)c3c1Cc4ccccc34)CCNC(=O)c5nn(c6ccc(Cl)cc6Cl)c7c5Cc8ccccc78"	0	""	""	2	2	399548	""
"710413"	"710413"	"1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCCNC(=O)c1nn(C)c2c1Cc3ccccc23)CCCNC(=O)c4nn(C)c5c4Cc6ccccc56"	0	""	""	2	2	399549	""
"710415"	"710415"	"1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide"	"CN(CCCNC(=O)c1nn(c2ccc(Cl)cc2Cl)c3c1Cc4ccccc34)CCCNC(=O)c5nn(c6ccc(Cl)cc6Cl)c7c5Cc8ccccc78"	0	""	""	2	1	399551	""
"710416"	"710416"	"[8-Methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate"	"CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc3ccsc23"	0	""	""	2	1	399552	""
"710439"	"710439"	"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide"	"COc1ccc(cc1)c2nc(SCC(=O)N\N=C\c3ccc(O)c(OC)c3)[nH]c2c4ccc(OC)cc4"	0	""	""	1	1	135436149	""
"710441"	"710441"	"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide"	"COc1ccc(cc1)c2nc(SCC(=O)N\N=C\c3ccc(cc3)[N+](=O)[O-])[nH]c2c4ccc(OC)cc4"	0	""	""	2	2	9572297	""
"710442"	"710442"	"N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide"	"COc1ccc(cc1)c2nc(SCC(=O)NNC(=S)Nc3ccccc3)[nH]c2c4ccc(OC)cc4"	0	""	""	1	1	5471321	""
"710444"	"710444"	"Diethyl (2E,4E,6E)-4,5-dibromoocta-2,4,6-trienedioate"	"CCOC(=O)\C=C\C(=C(/Br)\C=C\C(=O)OCC)\Br"	0	""	""	2	2	5471322	""
"710446"	"710446"	"2-(1-Acetyl-5-chloro-1h-pyrazol-3-yl)-3-chloroquinoxaline"	"CC(=O)n1nc(cc1Cl)c2nc3ccccc3nc2Cl"	0	""	""	2	2	399572	""
"710447"	"710447"	"8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene"	"CN1COCc2c1ccc3cc4ccc5N(COCc5c4nc23)S(=O)(=O)C"	0	""	""	1	1	399573	""
"710448"	"710448"	"[(1R,4R,5R,6R)-5,6-Bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol"	"SC[C@]12O[C@H](C=C1)[C@H]([C@@H]2S(=O)(=O)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	399574	""
"710456"	"710456"	"2-[(4r)-5,5-Dimethyl-4-phenyl-2-thioxo-1,3-dioxa-2$l5-phosphacyclohex-2-yl]pyridine"	"CC1(C)COP(=S)(O[C@@H]1c2ccccc2)c3ccccn3"	0	""	""	1	1	399579	""
"710464"	"710464"	"AFP464"	"Cc1c(F)c(N)c2C(=O)C=C(Oc2c1F)c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3"	0	"Db|DDI"	"Clinical trial"	2	2	399587	"468719531"
"710485"	"710485"	"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate"	"COC(=O)C(CCSC)NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1c3ccccc3"	0	""	""	1	1	6712769	""
"710486"	"710486"	"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate"	"COC(=O)C(Cc1ccccc1)NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2c4ccccc4"	0	""	""	1	1	6712770	""
"710510"	"710510"	"4-benzylthio-1-{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triaz..."	"OCCOCn1nncc1Cn2ncc3c(SCc4ccccc4)ncnc23"	0	""	""	1	1	399613	""
"710525"	"710525"	"RSC002586"	"COc1ccc(cc1)C(=O)c2sc(Nc3ccccc3)nc2N"	0	""	""	2	2	399616	""
"710526"	"710526"	"AM-807/14146364"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(Cl)cc3)cc1"	0	""	""	2	2	399617	""
"710527"	"710527"	"AM-807/12426021"	"COc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(OC)cc3)cc1"	0	""	""	2	2	399618	""
"710528"	"710528"	"3-[4-Amino-2-[(4-methoxyphenyl)amino]thiazole-5-carbonyl]chromen-2-one"	"COc1ccc(Nc2nc(N)c(s2)C(=O)C3=Cc4ccccc4OC3=O)cc1"	0	""	""	1	1	399619	""
"710529"	"710529"	"4-aminothiazole, 2.3"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c3ccc(Cl)cc3"	0	""	""	2	2	399620	""
"710530"	"710530"	"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2sc(Nc3ccc(Cl)cc3)nc2N"	0	""	""	2	2	399621	""
"710532"	"710532"	"3-[4-Amino-2-[(4-chlorophenyl)amino]thiazole-5-carbonyl]chromen-2-one"	"Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)C3=Cc4ccccc4OC3=O"	0	""	""	1	1	399623	""
"710534"	"710534"	"(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(4-methoxyphenyl)methanone"	"COc1ccc(cc1)C(=O)c2sc(nc2c3ccccc3)N(C)C"	0	""	""	1	1	399625	""
"710546"	"710546"	"10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccccc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	3	2	399629	""
"710547"	"710547"	"2H,6H-Pyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine- 5,7-..."	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc5c(c(nn5CCN(C)C)c2c1)c34"	0	""	""	2	2	399630	""
"710548"	"710548"	"10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	2	2	399631	""
"710549"	"710549"	"10,16-Bis[2-(dimethylamino)ethyl]-5-nitro-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45)[N+](=O)[O-]"	0	""	""	2	2	399632	""
"710550"	"710550"	"5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione"	"CN(C)CCN1C(=O)N2c3ccc(N)cc3c4nn(CCN(C)C)c5ccc(C1=O)c2c45"	0	""	""	2	2	399633	""
"710551"	"710551"	"6H-Pyrazolo[3,4,5-kl]acridine-5-carboxamide, N,N'-[methy..."	"CN(C)CCn1nc2c3ccccc3Nc4c(ccc1c24)C(=O)NCCCN(C)CCCNC(=O)c5ccc6c7c5Nc8ccccc8c7nn6CCN(C)C"	0	""	""	2	2	135426709	""
"710552"	"710552"	"14-[2-(Dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino"	"COc1ccc2Nc3c(ccc4c3c(nn4CCN(C)C)c2c1)C(=O)NCCCN(C)CCCNC(=O)c5ccc6c7c5Nc8ccc(OC)cc8c7nn6CCN(C)C"	0	""	""	2	2	135426710	""
"710553"	"710553"	"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide"	"COc1ccc2Nc3c(Cc2c1)c(NCCN(C)C)ccc3C(=O)NCCCN(C)CCCNC(=O)c4ccc(NCCN(C)C)c5Cc6cc(OC)ccc6Nc45"	0	""	""	2	2	399636	""
"710554"	"710554"	"N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide"	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3Nc4ccccc4C(=O)c23)c5C(=O)c6ccccc6Nc15"	0	""	""	2	2	399637	""
"710555"	"710555"	"SC-41842"	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3Nc4ccc(cc4C(=O)c23)[N+](=O)[O-])c5C(=O)c6cc(ccc6Nc15)[N+](=O)[O-]"	0	""	""	2	2	11980935	""
"710556"	"710556"	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-"	"CN(C)CCN1C(=O)N2c3ccccc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccccc8C(=O)c5c67)ccc(C1=O)c24"	0	""	""	2	2	399638	""
"710557"	"710557"	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(OC)cc8C(=O)c5c67)c(C(=O)c2c1)c34"	0	""	""	2	2	399639	""
"710558"	"710558"	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]pr"	"CN(C)CCN1C(=O)N2c3ccc(cc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(cc8C(=O)c5c67)[N+](=O)[O-])ccc(C1=O)c24)[N+](=O)[O-]"	0	""	""	2	1	399640	""
"710559"	"710559"	"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]"	"CN(C)CCN1C(=O)N2c3ccc(O)cc3C(=O)c4c(NCCCN(C)CCCNc5ccc6C(=O)N(CCN(C)C)C(=O)N7c8ccc(O)cc8C(=O)c5c67)ccc(C1=O)c24"	0	""	""	2	1	399641	""
"710560"	"710560"	"4-Acridinecarboxamide, 9,10-dihydro-N-[2-(dimethylamino)..."	"CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3C(=O)N(CCN(C)C)C(=O)N4c5ccccc5C(=O)c2c34)c6C(=O)c7ccccc7Nc16"	0	""	""	2	2	399642	""
"710572"	"710572"	"7-(3-Bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C4SC(=NN4C3=O)c5cccc(Br)c5"	0	""	""	1	1	135436150	""
"710575"	"710575"	"4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide"	"NN1C(=NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O)Nc4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	135436151	""
"710578"	"710578"	"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide"	"Cc1cnoc1NS(=O)(=O)c2ccc(NC3=NN=C(\C=C\c4c(O)ccc5ccccc45)C(=O)N3N)cc2"	0	""	""	1	1	135436154	""
"710579"	"710579"	"2-(2-Hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C(S)N(N4C(SCC4=O)c5c(O)ccc6ccccc56)C3=O"	0	""	""	1	1	135436155	""
"710580"	"710580"	"2-[[3-(Carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid"	"OC(=O)CNN1C(=NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O)SCC(=O)O"	0	""	""	1	1	135436156	""
"710582"	"710582"	"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"O=C1C=NNC(=S)N1\N=C\c2c[nH]c3ccccc23"	0	""	""	1	1	135436157	""
"710584"	"710584"	"7-Sulfanylidene-6H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"O=C1C=NN=C2SC(=S)NN12"	0	""	""	1	1	5471339	""
"710585"	"710585"	"4-[(4-Amino-5-oxo-1,2,4-triazin-3-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC3=NN=CC(=O)N3N)cc2)n1"	0	""	""	1	1	399667	""
"710587"	"710587"	"4-[(4E)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"Clc1ccc(\C=C/2\N=C(N(N3C(=S)NN=CC3=O)C2=O)c4ccccc4)cc1"	0	""	""	1	1	5471340	""
"710590"	"710590"	"4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one"	"NN1C(=S)NN=C(\C=C\c2c(O)ccc3ccccc23)C1=O"	0	""	""	1	1	135436158	""
"710592"	"710592"	"3-[(E)-2-(2-Hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"Oc1ccc2ccccc2c1\C=C\C3=NN=C4SC(=NN4C3=O)c5cccc(c5)[N+](=O)[O-]"	0	""	""	1	1	135415166	""
"710598"	"710598"	"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one"	"CCC\N=C\1/S\C(=C\c2ccc(OC)c(OC)c2)\C(=O)N1c3ccccc3"	0	""	""	1	1	5471348	""
"710607"	"710607"	"N,N-Dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	"CC1CNC(=N1)c2cccc(c2)c3nc(nc(n3)c4cccc(c4)C5=NC(C)CN5)N(C)C"	0	""	""	2	2	399691	""
"710608"	"710608"	"N,N-Dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride"	"CC1CNC(=N1)c2ccc(cc2)c3nc(nc(n3)c4ccc(cc4)C5=NC(C)CN5)N(C)C"	0	""	""	2	2	399693	""
"710614"	"710614"	"2,5-Dimethyl-3,4-dibromothiophene 1-oxide"	"CC1=C(Br)C(=C(C)S1=O)Br"	0	""	""	1	1	399696	""
"710616"	"710616"	"N-Bromoacetyltryptamine"	"BrCC(=O)NCCc1c[nH]c2ccccc12"	0	""	""	2	2	399698	""
"710716"	"710716"	"[3,4,5-Triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(O\C=C(/CN=[N+]=[N-])\C(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	1	1	5471355	""
"710746"	"710746"	"1-Hydroxy-2-methoxyanthracene-4-propanoic acid"	"COc1cc(CCC(=O)O)c2cc3ccccc3cc2c1O"	0	""	""	1	1	399715	""
"710765"	"710765"	"3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole"	"Cc1nnc2sc(nn12)c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	399719	""
"710768"	"710768"	"(5r)-3-(2,4-Dichloro-5-fluoro-phenyl)-5-[5-(4-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole"	"[O-][N+](=O)c1ccc(cc1)c2oc(cc2)[C@H]3CC(=NN3)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	399722	""
"710770"	"710770"	"(5r)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole"	"[O-][N+](=O)c1cccc(c1)c2oc(cc2)[C@H]3CC(=NN3)c4ccc(Cl)cc4"	0	""	""	1	1	399724	""
"710779"	"710779"	"(7Z)-6-(4-Methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(C)nnc3S/C/2=C\c4oc(cc4)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	5471358	""
"710780"	"710780"	"(7Z)-7-[[5-(4-Chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1nnc2S\C(=C/c3oc(cc3)c4ccc(Cl)cc4)\C(=Nn12)c5ccccc5"	0	""	""	1	1	5471359	""
"710835"	"710835"	"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate"	"CC(C)CNP(=O)(NCC(C)C)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)OCc3ccccc3)cc1"	0	""	""	1	1	399740	""
"710848"	"710848"	"Ethyl 3-[[1-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate"	"CCOC(=O)Cn1nnc2cc(Nc3nc4ccccc4nc3C(=O)OCC)ccc12"	0	""	""	1	1	399754	""
"710852"	"710852"	"Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate"	"CCOC(=O)Cn1nnc2ccc(Nc3nc4ccccc4nc3c5ccccc5)cc12"	0	""	""	1	1	399758	""
"710857"	"710857"	"Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl..."	"CCOC(CN\C=C(/C(=O)OCC)\c1nc2ccccc2[nH]1)OCC"	0	""	""	1	1	5471362	""
"710859"	"710859"	"Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H- benzim..."	"CCOC(=O)\C(=C/NC(C)(C)CO)\c1nc2ccccc2[nH]1"	0	""	""	1	1	5471364	""
"710860"	"710860"	"Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazo..."	"CCOC(=O)\C(=C/NCC(O)c1ccccc1)\c2nc3ccccc3[nH]2"	0	""	""	1	1	5471365	""
"710861"	"710861"	"(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2..."	"CCOC(=O)\C(=C/NC[C@@H](C)O)\c1nc2ccccc2[nH]1"	0	""	""	1	1	5471366	""
"710862"	"710862"	"Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate"	"CCOC(=O)\C(=C/NC#N)\c1nc2ccccc2[nH]1"	0	""	""	1	1	5471367	""
"710863"	"710863"	"Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl..."	"CCOC(=O)\C(=C/NC(C)(C)C)\c1nc2ccccc2[nH]1"	0	""	""	1	1	5471368	""
"710865"	"710865"	"Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acry..."	"CCOC(=O)\C(=C/NC(C)(C)C)\c1oc2ccccc2n1"	0	""	""	1	1	5471370	""
"710868"	"710868"	"3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione"	"C=CCN1CN(CSC1=S)C2CCCCC2"	0	""	""	2	2	399773	""
"710869"	"710869"	"F0547-0312"	"CC(C)(C)N1CSC(=S)N(Cc2occc2)C1"	0	""	""	1	1	399774	""
"710870"	"710870"	"3-(4-Bromophenyl)-5-(2-furylmethyl)-1,3,5-thiadiazinane-2-thione"	"Brc1ccc(cc1)N2CN(Cc3occc3)CSC2=S"	0	""	""	1	1	399775	""
"710872"	"710872"	"Diethyl 2-(5-cyanospiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate"	"CCOC(=O)C(=C1NC2(C(S1)C#N)c3ccccc3Nc4ccccc24)C(=O)OCC"	0	""	""	1	1	399777	""
"710881"	"710881"	"1-Bromo-6-chloro-5,6-dihydrocyclopenta[c]thiophen-4-one"	"ClC1CC(=O)c2csc(Br)c12"	0	""	""	1	1	399786	""
"710895"	"710895"	"3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-..."	"CC(C)Oc1cccc(c1)N2C(=Nc3ccncc3S2(=O)=O)NCCc4c[nH]c5ccccc45"	0	""	""	1	1	135426715	""
"710897"	"710897"	"2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,3-e]-1..."	"CC(C)Oc1cccc(c1)N2C(=Nc3ccncc3S2(=O)=O)Nc4ccccc4"	0	""	""	1	1	399798	""
"710898"	"710898"	"3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4..."	"COc1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2c4ccccc4)cc1"	0	""	""	1	1	135426716	""
"710902"	"710902"	"N-[1,1-Dioxo-2-(3-isopropoxyphenyl)-2H-pyrido[4,3-e]-1,2..."	"COC(=O)C(Cc1c[nH]c2ccccc12)NC3=Nc4ccncc4S(=O)(=O)N3c5cccc(OC(C)C)c5"	0	""	""	1	1	135426717	""
"710903"	"710903"	"N-(1,1-Dioxo-2-phenyl-2H-pyrido[4,3-e]-1,2,4-thiadiazin-..."	"COC(=O)C(Cc1c[nH]c2ccccc12)NC3=Nc4ccncc4S(=O)(=O)N3c5ccccc5"	0	""	""	1	1	135426718	""
"710904"	"710904"	"1-N,4-N-Bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\C=C\c3oc(cc3)[N+](=O)[O-])cc1"	0	""	""	2	2	9572304	""
"710905"	"710905"	"1-N,4-N-Bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide"	"[O-][N+](=O)c1oc(\C=N\NC(=O)c2ccc(cc2)C(=O)N\N=C\c3oc(cc3)[N+](=O)[O-])cc1"	0	""	""	1	1	9572305	""
"710906"	"710906"	"4,6-Dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1oc(\C=C\C=N\Nc2c(cc3NC(=O)Nc3c2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	1	1	11979479	""
"710907"	"710907"	"4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1c(Nc2c3ccccc3nc4ccccc24)c5NC(=O)Nc5c(c1Nc6c7ccccc7nc8ccccc68)[N+](=O)[O-]"	0	""	""	2	1	11979480	""
"710909"	"710909"	"Methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)n3nnc4ccccc34"	0	""	""	1	1	399811	""
"710914"	"710914"	"Methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N3CCOCC3"	0	""	""	1	1	399816	""
"710916"	"710916"	"STL257912"	"[O-][N+](=O)c1oc(\C=N\Nc2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	9572306	""
"710917"	"710917"	"N,N'-Bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide"	"[O-][N+](=O)c1oc(\C=C\C=N/NC(=O)C(=O)N\N=C/C=C/c2oc(cc2)[N+](=O)[O-])cc1"	0	""	""	1	1	9572307	""
"710959"	"710959"	"(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane"	"[O-][N+](=O)c1ccc(SN=S=NSc2cccc(SN=S=NSc3ccc(cc3)[N+](=O)[O-])c2)cc1"	0	""	""	1	1	399824	""
"710962"	"710962"	"5-Bromo-3-[(4-chlorophenyl)-imidazol-1-yl-methyl]-1-ethyl-indole"	"CCn1cc(C(c2ccc(Cl)cc2)n3ccnc3)c4cc(Br)ccc14"	0	""	""	1	1	399827	""
"710966"	"710966"	"Diethyl 2-[[3-(1h-indol-3-yl)-1h-indol-2-yl]methylene]propanedioate"	"CCOC(=O)C(=Cc1[nH]c2ccccc2c1c3c[nH]c4ccccc34)C(=O)OCC"	0	""	""	1	1	399830	""
"710968"	"710968"	"2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole"	"COc1ccc(c(OC)c1)c2oc3cc(C)ccc3n2"	0	""	""	3	1	399832	""
"710969"	"710969"	"Carbonotrithioic acid, 2,3,5,6-tetrachloro-4-pyridinyl-,..."	"CC(C)SC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl"	0	""	""	2	1	399833	""
"710971"	"710971"	"2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol"	"OC(c1ccc(F)cc1)C(F)(F)c2onc(n2)c3ccccc3"	0	""	""	1	1	399835	""
"710972"	"710972"	"N-Benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide"	"C[C@H](Sc1ccc(C)cc1)[C@@](O)(CF)CN(Cc2ccccc2)C(=O)C(F)(F)F"	0	""	""	1	1	399836	""
"711012"	"711012"	"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride"	"Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8ccccc8c7C[C@@]36O"	0	""	""	1	1	5471387	""
"711014"	"711014"	"(1S,2S,14R,22R)-23-(Cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride"	"Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7nc8ccccc8cc7C[C@@]36O"	0	""	""	1	1	5471391	""
"711018"	"711018"	"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride"	"Oc1cccc(c1)c2ccc3C[C@H]4N(CC5CC5)CC[C@@]67[C@@H](Oc2c36)C(=O)CC[C@@]47O"	0	""	""	2	1	5471398	""
"711020"	"711020"	"(1S,2S,13R,21R)-16,22-Dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride"	"CN1CC[C@]23[C@H]4Oc5c(C)ccc(C[C@@H]1[C@]2(O)Cc6c4[nH]c7ccccc67)c35"	0	""	""	1	1	5471402	""
"711021"	"711021"	"[2-Methyl-1-(2-morpholinoethyl)indol-3-yl]-(6-methyl-1-naphthyl)methanone hydrochloride"	"Cc1ccc2c(cccc2c1)C(=O)c3c(C)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	399882	""
"711023"	"711023"	"(6-Methoxy-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone"	"COc1ccc2c(cccc2c1)C(=O)c3c(C)n(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	399885	""
"711024"	"711024"	"(6-Hydroxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone"	"Oc1ccc2c(cccc2c1)C(=O)c3cn(CCN4CCOCC4)c5ccccc35"	0	""	""	1	1	399886	""
"711026"	"711026"	"1-[(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone"	"CC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8ccccc8c7C[C@@]36O"	0	""	""	1	1	5471404	""
"711041"	"711041"	"(12Br)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one"	"COc1ccc2CC3NCC[C@]45C(Oc1c24)C(=O)C=CC35O"	0	""	""	2	2	399905	""
"711062"	"711062"	"(3E)-3-[(6-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nc2SCCn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	5471407	""
"711064"	"711064"	"(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)nc4SCCn34)\c2c1"	0	""	""	1	1	5471409	""
"711066"	"711066"	"(3E)-5-Methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(nc4SCCn34)c5ccccc5)\c2c1"	0	""	""	1	1	5471411	""
"711070"	"711070"	"(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1cccc2NC(=O)\C(=C\c3c(Cl)nc4sccn34)\c12"	0	""	""	1	1	5471415	""
"711074"	"711074"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccccc34)c(C)nc2s1"	0	""	""	1	1	5471419	""
"711076"	"711076"	"(3E)-3-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)nc4sc(C)cn34)\c2c1"	0	""	""	1	1	5471421	""
"711077"	"711077"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(C)nc4sc(C)cn34)\c2c1"	0	""	""	3	2	5471422	""
"711079"	"711079"	"(3E)-4-Chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)nc2s1"	0	""	""	1	1	5471424	""
"711082"	"711082"	"(3E)-5-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1ccc2NC(=O)\C(=C\c3c(Cl)nc4sccn34)\c2c1"	0	""	""	1	1	5471427	""
"711083"	"711083"	"5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc2Sc3nc4ccccc4n3C(O)c2c(n1)N5CCOCC5"	0	""	""	1	1	399931	""
"711087"	"711087"	"5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"CSc1nc(NC(C)C)c2C(O)n3c(Sc2n1)nc4ccccc34"	0	""	""	1	1	399935	""
"711088"	"711088"	"7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol"	"COc1nc(SC)nc2Sc3nc4ccccc4n3C(O)c12"	0	""	""	1	1	399936	""
"711089"	"711089"	"5-Methylsulfanyl-N-propan-2-yl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine"	"CSc1nc(NC(C)C)c2C=Nn3c(Sc2n1)nc4ccccc34"	0	""	""	1	1	399937	""
"711090"	"711090"	"N-Cyclopropyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine"	"CSc1nc(NC2CC2)c3C=Nn4c(Sc3n1)nc5ccccc45"	0	""	""	1	1	399938	""
"711092"	"711092"	"10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol"	"CSc1nc(Cl)c2C(O)n3ncnc3Sc2n1"	0	""	""	1	1	399940	""
"711095"	"711095"	"Ethyl 9-(3-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CC(=O)Nc1c23)c4cccc(F)c4"	0	""	""	1	1	399943	""
"711099"	"711099"	"Ethyl 5-amino-4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc(OC)c(OC)c3)c2c1N"	0	""	""	1	1	399947	""
"711100"	"711100"	"Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)CC(=O)Nc1c(sc2nc(SC)nc(Nc3ccc(OC)c(OC)c3)c12)C(=O)OCC"	0	""	""	1	1	399948	""
"711102"	"711102"	"Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc5OCOc5c4"	0	""	""	1	1	399950	""
"711103"	"711103"	"Ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc5OCCCOc5c4"	0	""	""	1	1	399951	""
"711104"	"711104"	"Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc3N(CNc1c23)c4ccc(F)c(F)c4"	0	""	""	2	2	399952	""
"711105"	"711105"	"Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCOc4c3)c2c1N"	0	""	""	1	1	399953	""
"711106"	"711106"	"Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCCOc4c3)c2c1N"	0	""	""	1	1	399954	""
"711107"	"711107"	"Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate"	"CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4OCCCOc4c3)c2c1N"	0	""	""	1	1	399955	""
"711113"	"711113"	"3,3-bis[4-(4-aminoiphenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5C6CC7CC(C6C4)C3C5C7)c8ccc(Oc9ccc(N)cc9)cc8)cc1"	0	""	""	2	2	399961	""
"711114"	"711114"	"3,3-bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5C6CC7CC(C6C4)C3C5C7)c8ccc(Oc9ccc(N)c(O)c9)cc8)cc1O"	0	""	""	2	1	399962	""
"711117"	"711117"	"2,2-bis(4-aminophenyl)adamantane"	"Nc1ccc(cc1)C2(C3CC4CC(CC2C4)C3)c5ccc(N)cc5"	0	""	""	1	1	399965	""
"711118"	"711118"	"2,2-bis[4-(4-aminophenoxy)phenyl]adamantane"	"Nc1ccc(Oc2ccc(cc2)C3(C4CC5CC(CC3C5)C4)c6ccc(Oc7ccc(N)cc7)cc6)cc1"	0	""	""	2	2	399966	""
"711119"	"711119"	"1,3-bis(4-aminophenyl)adamantane"	"Nc1ccc(cc1)C23CC4CC(CC(C4)(C2)c5ccc(N)cc5)C3"	0	""	""	1	1	399967	""
"711122"	"711122"	"2-aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-p..."	"Oc1ccc(Cl)cc1c2cc(nc(NCN3CCCCC3)n2)c4ccccc4"	0	""	""	1	1	399970	""
"711142"	"711142"	"3-(2-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide"	"CC1=NN(C(C1C(=O)Nc2ccccc2)c3ccccc3Cl)C(=O)c4ccccc4O"	0	""	""	2	2	399990	""
"711172"	"711172"	"[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methyl-pyrrol-2-yl]methanol"	"Cn1c(CO)ccc1c2ccc([se]2)c3ccc(CO)[se]3"	0	""	""	2	2	399993	""
"711173"	"711173"	"[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol"	"Cn1c(CO)ccc1c2ccc([se]2)c3ccc[se]3"	0	""	""	2	2	399994	""
"711175"	"711175"	"2-[[(1S,5R)-1,5-Dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol"	"C[C@@H]1CCC2C(=C)C(OCCO)OC3O[C@]4(C)CCC1C23OO4"	0	""	""	1	1	45027785	""
"711176"	"711176"	"Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3a..."	"C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@]2(O)CC1)\C"	0	""	""	2	2	5471440	""
"711187"	"711187"	"3-(3,4-Dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea"	"COc1ccc(cc1)N(C2N(C(=O)n3cccc23)c4ccc(Cl)c(Cl)c4)C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	400005	""
"711189"	"711189"	"Ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate"	"CCOC(=O)\C(=C\1/C2=C(NC(=S)NC2=O)Oc3ccc4ccccc4c13)\C#N"	0	""	""	1	1	5471441	""
"711193"	"711193"	"2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)C(=O)O"	0	""	""	4	2	400010	"218600443"
"711198"	"711198"	"J-100034"	"Oc1ccc2C=C(C(=O)Oc2c1)c3nc4ccccc4s3"	0	""	""	1	1	135426721	""
"711215"	"711215"	"N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline"	"Clc1ccc(\N=C\2/Oc3ccccc3C=C2c4nc5ccccc5[nH]4)c(Cl)c1"	0	""	""	1	1	400029	""
"711219"	"711219"	"3-{[(2z)-3-(1h-Benzimidazol-2-yl)-6-bromo-2h-chromen-2-ylidene]amino}benzamide"	"NC(=O)c1cccc(c1)\N=C\2/Oc3ccc(Br)cc3C=C2c4nc5ccccc5[nH]4"	0	""	""	1	1	400033	""
"711223"	"711223"	"STL503934"	"CCOC(=O)c1ccc(cc1)\N=C\2/Oc3ccc(OC)cc3C=C2c4nc5ccccc5[nH]4"	0	""	""	1	1	400037	""
"711312"	"711312"	"4-Methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine"	"COc1nncc2[nH]c(cc12)c3ccccc3"	0	""	""	1	1	5471457	""
"711426"	"711426"	""	"CC(=O)NC1(Cc2ccc3ccccc3c2c4c(C1)ccc5ccccc45)C(=O)N[C@@H](Cc6ccccc6)C(=O)NC7CCCCC7"	0	NA	NA	1	1	NA	""
"711427"	"711427"	""	"CC(=O)NC1(Cc2ccc3ccccc3c2c4c(C1)ccc5ccccc45)C(=O)N[C@@H](Cc6ccccc6)C(=O)NC7CCCCC7"	0	NA	NA	1	1	NA	""
"711510"	"711510"	"1'-acetoxychavicol acetate"	"CC(=O)OC(C=C)c1ccc(OC(=O)C)cc1"	0	""	""	2	1	400072	""
"711581"	"711581"	"6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1CCCN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	400089	""
"711582"	"711582"	"6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1CC(C)CN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	400090	""
"711583"	"711583"	"6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one"	"CCN1C(C)CCN2C(=O)Nc3cc(Br)cc1c23"	0	""	""	1	1	400091	""
"711589"	"711589"	"HLKANFKOOWUNDF-UHFFFAOYSA-N"	"CC1(CC(=C(C#N)C(=C(C#N)C#N)N1)c2cccs2)c3cccs3"	0	""	""	1	1	400097	""
"711606"	"711606"	"1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane"	"COc1ccc(SC2(CC2)C(=C)C)cc1"	0	""	""	1	1	400116	""
"711610"	"711610"	"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)n(c4ccccc4)c5ccccc35)\c2c1"	0	""	""	1	1	5471470	""
"711611"	"711611"	"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C/c3c(Cl)n(c4ccccc4)c5ccccc35)\C(=O)Nc2cc1C"	0	""	""	1	1	5471471	""
"711613"	"711613"	"3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one"	"COc1ccc2[nH]c(Cl)c(\C=C/3\C(=O)Nc4cc(C)c(OC)cc34)c2c1"	0	""	""	1	1	5471473	""
"711615"	"711615"	"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one"	"COc1ccc2[nH]c(Cl)c(\C=C/3\C(=O)N(c4ccccc4)c5ccccc35)c2c1"	0	""	""	1	1	5471475	""
"711616"	"711616"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	5471476	""
"711617"	"711617"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4cc(C)c(OC)cc34)\c2c1"	0	""	""	2	2	5471477	""
"711618"	"711618"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C/c3c(Cl)[nH]c4cc(C)c(OC)cc34)\C(=O)Nc2cc1C"	0	""	""	2	1	5471478	""
"711619"	"711619"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(C)c4ccccc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	5471479	""
"711620"	"711620"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(c4ccccc4)c5ccccc35)c(Cl)[nH]c2cc1C"	0	""	""	2	1	5471480	""
"711628"	"711628"	"(1R,5S,7R)-5-Methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one"	"CO[C@]12S[C@@H]3CCCC[C@]13C(C)(C)C(=O)N2c4ccccc4"	0	""	""	1	1	5471482	""
"711632"	"711632"	"2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile"	"NC1=C(C#N)C(=CC(c2ccc(F)cc2)C1(C#N)C#N)C3CC3"	0	""	""	1	1	400138	""
"711636"	"711636"	"5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydro-1h-indazol-4-yl thiocyanate"	"Cc1nn(c2CCC(=C(SC#N)c12)C=O)c3ccccn3"	0	""	""	1	1	400142	""
"711639"	"711639"	"(1r,2r,4s)-1,3,3-Trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol"	"C[C@@]12CC[C@@H](C1)C(C)(C)[C@@]2(S)Cc3ccccn3"	0	""	""	1	1	400145	""
"711646"	"711646"	"2-[(3-Formylindol-1-yl)methoxy]ethyl acetate"	"CC(=O)OCCOCn1cc(C=O)c2ccccc12"	0	""	""	1	1	400151	""
"711649"	"711649"	"1-(4-Methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione"	"Cc1ccc(cc1)N2C(=S)N(\N=C\3/C(=O)Nc4ccccc34)C(=O)C2=O"	0	""	""	1	1	135436174	""
"711659"	"711659"	"1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4..."	"CCN(CC)CCCNc1nnc(C)c2[nH]c3ccccc3c12"	0	""	""	1	1	5471483	""
"711661"	"711661"	"[2,6-Bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene"	"COc1ccc(\C=C(\c2ccccc2)/c3c(C)cc(C)c(\C(=C/c4ccc(OC)cc4)\c5ccccc5)c3N=Nc6cc(C)cc(C)c6)cc1"	0	""	""	2	2	5471486	""
"711663"	"711663"	"N-(1-Adamantyl)-6-chloropurine-9-carboxamide"	"Clc1ncnc2c1ncn2C(=O)NC34CC5CC(CC(C5)C3)C4"	0	""	""	1	1	400163	""
"711669"	"711669"	"L-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluo..."	"CC(N)C(=O)Nc1ccc(cc1C)c2nc3cc(F)ccc3s2"	0	""	""	2	2	400165	""
"711670"	"711670"	"2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole"	"Cc1cc(ccc1N)c2nc3cccc(F)c3s2"	0	""	""	2	2	400167	""
"711671"	"711671"	"2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole"	"Cc1cc(ccc1N)c2nc3cc(F)c(F)cc3s2"	0	""	""	2	2	400168	""
"711692"	"711692"	"2,2,2-Trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone"	"FC(F)(F)C(=O)c1cc2C(=NC3(CCCCC3)Nc2c4ccccc14)C(F)(F)F"	0	""	""	1	1	135426727	""
"711693"	"711693"	"1H-Benz[e]indole-3-carboxylic acid, 7-[[5-[7-(acetylamin..."	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	400180	""
"711694"	"711694"	"Tert-butyl 7-[[6-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	400181	""
"711695"	"711695"	"Tert-butyl 7-[[7-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	400182	""
"711696"	"711696"	"Tert-butyl 7-[[8-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-8-oxooctanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCCC(=O)Nc4ccc5c6C(CCl)CN(C(=O)OC(C)(C)C)c6cc(O)c5c4)c3cc(O)c2c1"	0	""	""	2	2	400183	""
"711720"	"711720"	"(3E,6E)-3-Benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"O=C1N\C(=C\c2ccc(OCc3ccccc3)cn2)\C(=O)N/C/1=C/c4ccccc4"	0	""	""	2	2	5471488	""
"711721"	"711721"	"(3E,6E)-3-[(4-Hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Oc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	5471489	""
"711723"	"711723"	"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-"	"COc1cc(Nc2nc3ccccc3n4cccc24)cc(OC)c1OC"	0	""	""	1	1	400205	""
"711724"	"711724"	"N-(3,4-Dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	"COc1ccc(Nc2nc3ccccc3n4cccc24)cc1OC"	0	""	""	1	1	400206	""
"711725"	"711725"	"Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate"	"CCOC(=O)c1ccc(Nc2nc3ccccc3n4cccc24)cc1"	0	""	""	1	1	400207	""
"711727"	"711727"	"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine"	"COc1cc(Nc2nc3cc(ccc3n4cccc24)C(F)(F)F)cc(OC)c1OC"	0	""	""	1	1	400209	""
"711731"	"711731"	"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3n4cccc24)cc1)C(=O)OCC"	0	""	""	1	1	400213	""
"711733"	"711733"	"(2R,6R)-9,11-Dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione"	"Brc1sc(Br)c2C(=O)[C@@H]3NC(=O)N[C@@H]3c12"	0	""	""	2	2	400215	""
"711737"	"711737"	"7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazole-2,7(1H)-dion..."	"Clc1sc(Cl)c2C(=O)[C@@H]3NC(=O)O[C@@H]3c12"	0	""	""	2	2	400219	""
"711739"	"711739"	"1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one"	"OC1CC(=O)c2c(Br)sc(Br)c12"	0	""	""	1	1	400221	""
"711740"	"711740"	"1,3-Dibromo-4h-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)C=Cc12"	0	""	""	1	1	400222	""
"711741"	"711741"	"Di-(1,3-dibromo-4-oxo-5,6-dihydro-4H-cyclopenta[c]thien-..."	"Brc1sc(Br)c2C(=O)CC(NC3CC(=O)c4c(Br)sc(Br)c34)c12"	0	""	""	2	2	400223	""
"711742"	"711742"	"(5E)-1,3-Dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)\C(=C\c3cccnc3)\C(c12)n4cccc4"	0	""	""	2	2	5471491	""
"711743"	"711743"	"(5E)-1,3-Dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one"	"Brc1sc(Br)c2C(=O)\C(=C\c3ccncc3)\C(c12)n4cccc4"	0	""	""	1	1	5471492	""
"711744"	"711744"	"5-Bromo-1,3-dichloro-4h-cyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)C(=Cc12)Br"	0	""	""	2	2	400226	""
"711745"	"711745"	"6-Bromo-1,3-dichloro-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one"	"Clc1sc(Cl)c2C(=O)CC(Br)c12"	0	""	""	1	1	400227	""
"711783"	"711783"	"6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid"	"OC(=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	400255	""
"711784"	"711784"	"Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate"	"COC(=O)c1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	400256	""
"711790"	"711790"	"(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane"	"CC(C)C(C(C)(C)Cl)S(=O)(=Nc1ccccc1)c2ccc(C)cc2"	0	""	""	1	1	400257	""
"711796"	"711796"	"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one"	"O=C(CC1=Nc2ccccc2NC1=O)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	5471500	""
"711797"	"711797"	"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one"	"O=C(CC1=Nc2ncccc2NC1=O)\C=C\c3ccc4OCOc4c3"	0	""	""	1	1	5471501	""
"711805"	"711805"	"Maybridge3_003220"	"O=C1Nc2ccccc2N=C1c3c[nH]c4ccccc34"	0	""	""	1	1	400272	""
"711806"	"711806"	"3-[2-(1h-Indol-3-yl)-2-oxoethyl]quinoxalin-2(1h)-one"	"O=C(CC1=Nc2ccccc2NC1=O)c3c[nH]c4ccccc34"	0	""	""	1	1	400273	""
"711821"	"711821"	"1-(5-Nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine"	"[O-][N+](=O)c1ccc2sc(\C=N\c3cnccn3)cc2c1"	0	""	""	1	1	400287	""
"711826"	"711826"	"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1ccc(OC)c2sc(nc12)N3C(=O)\C(=C\c4ccc(O)c(OC)c4)\N=C3c5ccccc5"	0	""	""	1	1	5471513	""
"711830"	"711830"	"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"COc1ccc(OC)c2sc(nc12)N3C(=O)\C(=C\c4ccc(cc4)N(C)C)\N=C3c5ccccc5"	0	""	""	1	1	1273997	""
"711844"	"711844"	"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	5471530	""
"711846"	"711846"	"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)ccc1O"	0	""	""	1	1	5471532	""
"711848"	"711848"	"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one"	"Clc1cc(Cl)c2nc(sc2c1)N3C(=O)\C(=C\Cc4occc4)\N=C3c5ccccc5"	0	""	""	1	1	5471534	""
"711850"	"711850"	"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	5471536	""
"711852"	"711852"	"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one"	"Sc1ccccc1\C=C\2/N=C(N(C2=O)c3nc4c(Cl)cc(Cl)cc4s3)c5ccccc5"	0	""	""	1	1	5471538	""
"711855"	"711855"	"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	5471541	""
"711856"	"711856"	"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)ccc1O"	0	""	""	1	1	5471542	""
"711860"	"711860"	"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3nc4cc(C)c(C)cc4s3)c5ccccc5)cc1"	0	""	""	1	1	5471546	""
"711866"	"711866"	"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c6ccccc6)ccc1O"	0	""	""	1	1	5471552	""
"711867"	"711867"	"(5Z)-5-[(3-Nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one"	"[O-][N+](=O)c1cccc(\C=C\2/N=C(N(C2=O)c3nc4ccc(Sc5ccccc5)cc4[nH]3)c6ccccc6)c1"	0	""	""	1	1	5471553	""
"711880"	"711880"	"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3ccc4Nc5ccc(cc5Sc4c3)N6C(=O)\C(=C\c7ccc(cc7)N(C)C)\N=C6c8ccccc8)c9ccccc9)cc1"	0	""	""	1	1	5471566	""
"711885"	"711885"	"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5cc(OC)c(OC)c(OC)c5)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc(OC)c1OC"	0	""	""	1	1	5471570	""
"711887"	"711887"	"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1cccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5cccc(c5)[N+](=O)[O-])\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)c1"	0	""	""	1	1	5471572	""
"711889"	"711889"	"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one"	"CSc1ccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5ccc(SC)cc5)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc1"	0	""	""	1	1	5471574	""
"711890"	"711890"	"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one"	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3ccc(cc3N4C(=O)\C(=C\c5ccc(cc5)N(C)C)\N=C4c6ccccc6)C(=O)c7ccccc7)c8ccccc8)cc1"	0	""	""	1	1	5471575	""
"711891"	"711891"	"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one"	"O=C(c1ccccc1)c2ccc(N3C(=O)\C(=C\c4cccc(Oc5ccccc5)c4)\N=C3c6ccccc6)c(c2)N7C(=O)\C(=C\c8cccc(Oc9ccccc9)c8)\N=C7c%10ccccc%10"	0	""	""	1	1	16129940	""
"711898"	"711898"	"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one"	"Cc1ccc2nc(Cl)c(\C=N\N3C(=O)\C(=C\Cc4occc4)\N=C3c5ccccc5)cc2c1"	0	""	""	3	1	9572330	""
"711902"	"711902"	"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one"	"Cc1ccc2nc(Cl)c(\C=N\N3C(=O)\C(=C\c4ccccc4S)\N=C3c5ccccc5)cc2c1"	0	""	""	1	1	9572334	""
"711946"	"711946"	"N-[3-[6-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	400400	""
"711947"	"711947"	"N-[3-[7-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide"	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	400401	""
"711948"	"711948"	"Acetamide, N,N'-[1,8-dioxo-1,8-octanediyldi[1-(chloromet..."	"CC(=O)Nc1ccc2c3C(CCl)CN(C(=O)CCCCCCC(=O)N4CC(CCl)c5c4cc(O)c6cc(NC(=O)C)ccc56)c3cc(O)c2c1"	0	""	""	2	2	400402	""
"711960"	"711960"	"2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide"	"Cc1c2cccc2c(OCCO)cc3c4ccccc4n(C)c13"	0	""	""	1	1	400404	""
"711987"	"711987"	"5-Methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride"	"CC1CNC(=N1)c2cccc(OCc3ccc(COc4cccc(c4)C5=NC(C)CN5)cc3)c2"	0	""	""	1	1	400409	""
"711991"	"711991"	"2,6-Dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol"	"Oc1c(Br)cc(\C=C\c2cccc(\C=C\c3cc(Br)c(O)c(Br)c3)n2)cc1Br"	0	""	""	1	1	135436183	""
"711993"	"711993"	"4-[(E)-2-[6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol"	"Oc1ccc(\C=C\c2cccc(\C=C\c3ccc(O)c(O)c3)n2)cc1O"	0	""	""	1	1	135436185	""
"711994"	"711994"	"7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-"	"Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O"	0	""	""	1	1	135436186	""
"712000"	"712000"	"5-(1H-Indol-3-yl)-3-methoxypyrazin-2-amine"	"COc1nc(cnc1N)c2c[nH]c3ccccc23"	0	""	""	1	1	400421	""
"712001"	"712001"	"3-Bromo-5-{1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl}pyrazin-2-amine"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3cnc(N)c(Br)n3)c4ccccc24"	0	""	""	2	2	400422	""
"712006"	"712006"	"3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole"	"COc1cc(nc(n1)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4)c5cn(c6ccccc56)S(=O)(=O)c7ccc(C)cc7"	0	""	""	2	2	400427	""
"712009"	"712009"	"3-[2-(1H-Indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole"	"Cc1cnc(nc1c2c[nH]c3ccccc23)c4c[nH]c5ccccc45"	0	""	""	1	1	400430	""
"712011"	"712011"	"3-[2-(1H-Indol-3-yl)pyrimidin-4-yl]-1H-indole"	"c1ccc2c(c[nH]c2c1)c3ccnc(n3)c4c[nH]c5ccccc45"	0	""	""	1	1	400432	""
"712183"	"712183"	"Euplexide D"	"CC(C)CC(=O)C\C(=C\CC\C(=C\Cc1cc(O)c(C)cc1OC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2O)\C)\C"	0	""	""	1	1	5471619	""
"712184"	"712184"	"Bromodeoxytopsentin"	"Brc1ccc2c(c[nH]c2c1)c3cnc([nH]3)C(=O)c4c[nH]c5ccccc45"	0	""	""	1	1	400452	""
"712196"	"712196"	"3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"[O-][N+](=O)c1ccc(cc1)C2Nn3c(S2)nnc3c4cccc(c4)[N+](=O)[O-]"	0	""	""	1	1	400459	""
"712199"	"712199"	"Didemnin B aminomethylene"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)CC2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)C4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	400460	""
"712201"	"712201"	"10-Amino-7-trimethylsilylethylcamptothecin"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CC[Si](C)(C)C)c5cc(N)ccc5nc34)C2=O"	0	""	""	2	1	400461	""
"712202"	"712202"	"N-[4-[15-(4-Acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride"	"CC(=O)Nc1ccc(cc1)c2c3C=Cc([nH]3)c(c4cc5ccccc5[n+](C)c4)c6ccc(n6)c(c7ccc(NC(=O)C)cc7)c8ccc([nH]8)c(c9cc%10ccccc%10[n+](C)c9)c%11ccc2n%11"	0	""	""	1	1	16129941	""
"712237"	"712237"	"[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=C(C#N)C(=C(C#N)C2=S)c3ccc(C)cc3)N"	0	""	""	1	1	5471623	""
"712243"	"712243"	"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	"COc1ccc(\C=C/2\C(=Nc3ccccc3N(C4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)C2=O)N)cc1"	0	""	""	1	1	5471626	""
"712244"	"712244"	"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2C(=O)\C(=C/c3ccc(Cl)cc3)\C(=Nc4ccccc24)N"	0	""	""	1	1	5471627	""
"712304"	"712304"	"N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide"	"COc1c(Br)cc(C\C(=N\O)\C(=O)NCC=C)c(O)c1Br"	0	""	""	1	1	9572344	""
"712393"	"712393"	"2-(Chloromethyl)-4,5-bis(pyrimidin-2-ylsulfanyl)pyridazin-3(2h)-one"	"ClCN1N=CC(=C(Sc2ncccn2)C1=O)Sc3ncccn3"	0	""	""	2	2	400496	""
"712396"	"712396"	"Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-"	"C(CP(c1ccccn1)c2ccccn2)P(c3ccccc3)c4ccccc4"	0	""	""	3	3	400499	""
"712399"	"712399"	"Ambewelamide A"	"CCCC(=O)O[C@H]1C=C2C[C@@]34SSC5(CC6=C[C@H](OC(=O)C)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]8O[C@@H]18"	0	""	""	2	2	400501	"220345711"
"712400"	"712400"	"Sodagnitin A"	"CC1(C)OC(=CC1=O)C(=C)[C@@H]2CC=C([C@H](O)O2)[C@@H]3CC[C@H]4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)[C@H](O)C[C@]45C"	0	""	""	2	2	400502	""
"712401"	"712401"	"Sodagnitin C"	"CC(O)(CC(=O)O)CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](CC[C@H]23)C4=CC[C@H](O[C@H]4O)C(=C)C5=CC(=O)C(C)(C)O5)C(C)(C)C1=O"	0	""	""	1	1	400503	""
"712408"	"712408"	"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC)cc3"	0	""	""	1	1	54681580	""
"712409"	"712409"	"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3cccc(OC)c3"	0	""	""	1	1	54681581	""
"712410"	"712410"	"Tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@@H]1[C@H]2C[C@H]([C@@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC)c(OC)c3"	0	""	""	1	1	54681582	""
"712411"	"712411"	"Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	400513	""
"712423"	"712423"	"(2E)-2-[(4-Chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile"	"CC1=C(C#N)c2nc3ccccc3n2C(=O)/C/1=C/Nc4ccc(Cl)cc4"	0	""	""	1	1	5456998	""
"712430"	"712430"	"2-[4-[(2Z)-2-(2-Oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine"	"NC(=N)NS(=O)(=O)c1ccc(N\N=C/2\CCOC2=O)cc1"	0	""	""	1	1	9572347	""
"712571"	"712571"	"Artesunate"	"CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C23OO4"	0	""	"FDA approved"	1	1	105031	""
"712572"	"712572"	"1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone"	"CNC(C)C(O)c1ccc2OC3=CC(=O)c4ccccc4C3=Nc2c1"	0	""	""	1	1	400530	""
"712578"	"712578"	"Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate"	"COC(=O)C1=C(SC2(S1)C3=C(CCCC3)SC(=C2C(=O)OC)C(=O)OC)C(=O)OC"	0	""	""	1	1	400533	""
"712583"	"712583"	"(S,S)-(+)-Bis(2-chloropropyl)sulfide"	"C[C@H](Cl)CSC[C@H](C)Cl"	0	""	""	1	1	400538	""
"712671"	"712671"	"4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione"	"Nc1ccc(cc1)C2=CSSC2=S"	0	""	""	1	1	400550	""
"712675"	"712675"	"Diethyl bis[2-(9-benzyl-9h-purin-6-yl)ethyl]propanedioate"	"CCOC(=O)C(CCc1ncnc2c1ncn2Cc3ccccc3)(CCc4ncnc5c4ncn5Cc6ccccc6)C(=O)OCC"	0	""	""	1	1	400554	""
"712682"	"712682"	"2,6-Dimethoxy-3-{[1-(methylsulfanyl)-1-pyridin-2-ylethyl]sulfanyl}pyridine"	"COc1ccc(SC(C)(SC)c2ccccn2)c(OC)n1"	0	""	""	1	1	400560	""
"712693"	"712693"	"2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester"	"CC(C)(C)OC(=O)CN1C(CC(=O)c2ccccc2)CC1=O"	0	""	""	1	1	400570	""
"712697"	"712697"	"Benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate"	"Cc1ccc(S[C@](NC(=O)OCc2ccccc2)([C@@H](O)CC=C)C(F)(F)F)cc1"	0	""	""	1	1	400574	""
"712700"	"712700"	"Benzotriazole, 1-(p-methoxyphenylethynyl)"	"COc1ccc(cc1)C#Cn2nnc3ccccc23"	0	""	""	1	1	400577	""
"712703"	"712703"	"1,10-Dimethoxybenzo[c][1,2]benzodithiine"	"COc1cccc2SSc3cccc(OC)c3c12"	0	""	""	1	1	400580	""
"712708"	"712708"	"N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline"	"COc1cc(NC(C)c2ccc3OCCOc3c2)cc(OC)c1OC"	0	""	""	1	1	400585	""
"712720"	"712720"	"Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate"	"CC[C@@]12C=CCN3CCC4([C@H]13)[C@@H](N(C)c5cc(OC)c(cc45)N=Nc6ccc(cc6)[N+](=O)[O-])[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	""	""	1	1	400598	""
"712724"	"712724"	"Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5c4cc(Br)c(OC)c5[N+](=O)[O-])[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	""	""	1	1	400602	""
"712733"	"712733"	"Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-diphenylethenyl]pyrazole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=C(\c1ccccc1)/n2cc(C(=O)OC)c(n2)C(=O)OC)\c3ccccc3)\C(=O)OC"	0	""	""	1	1	5471657	""
"712734"	"712734"	"Methyl 1-[(Z)-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-1,2-diphenylethenyl]pyrazole-3-carboxylate"	"COC(=O)\C=C/S\C(=C(\c1ccccc1)/n2ccc(n2)C(=O)OC)\c3ccccc3"	0	""	""	1	1	5471658	""
"712735"	"712735"	"Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-bis(4-methoxyphenyl)ethenyl]pyrazole-3,4-dicarboxylate"	"COC(=O)\C=C(/S\C(=C(\c1ccc(OC)cc1)/n2cc(C(=O)OC)c(n2)C(=O)OC)\c3ccc(OC)cc3)\C(=O)OC"	0	""	""	1	1	5471659	""
"712737"	"712737"	"2,7a-Diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile"	"N#CC1CCN2N=C(SC12c3ccccc3)c4ccccc4"	0	""	""	1	1	400615	""
"712738"	"712738"	"1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2ncn(C[Si](C)(C)C)c2c3ccc(OC)cc3"	0	""	""	1	1	400616	""
"712740"	"712740"	"1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2N=C3CSC(N3Cc2c1)c4ccccc4Cl"	0	""	""	1	1	400618	""
"712741"	"712741"	"1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2CN3C(SCC3=Nc2c1)c4ccccc4Cl"	0	""	""	1	1	400619	""
"712742"	"712742"	"1-(3-Bromophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2N=C3CSC(N3Cc2c1)c4cccc(Br)c4"	0	""	""	1	1	400620	""
"712747"	"712747"	"1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline"	"COc1ccc2CN3C(SCC3=Nc2c1)c4c(Cl)cccc4[N+](=O)[O-]"	0	""	""	1	1	400625	""
"712821"	"712821"	"10-(diiodomethylene)-9(10)-phenanthrenone"	"IC(=C1C(=O)c2ccccc2c3ccccc13)I"	0	""	""	2	2	400634	""
"712822"	"712822"	"2,3,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclop..."	"COc1cc2c3CN4C(CCC4=O)C(=O)c3c5cc(OC)c(OC)cc5c2cc1OC"	0	""	""	1	1	400635	""
"712914"	"712914"	"1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one"	"Oc1ccc(O)c2c1C(=O)c3ccccc3C2(O)CC=C"	0	""	""	2	1	400653	""
"713018"	"713018"	"8-Chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	"Cc1ccc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)cc1"	0	""	""	1	1	400656	""
"713019"	"713019"	"8-Chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine"	"Cc1cc2c(Sc3nnc(Nc4ccccc4)n3S2(=O)=O)cc1Cl"	0	""	""	1	1	400657	""
"713023"	"713023"	"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide"	"CN(C)c1cc[n+](cc1)\C(=N/S(=O)(=O)c2ccc(Cl)cc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	9572352	""
"713026"	"713026"	"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide"	"CC[N+](CC)(CC)\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\NS(=O)(=O)c2cc(C)c(Cl)cc2S"	0	""	""	1	1	9572355	""
"713039"	"713039"	"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/C3COc4ccccc4C3=O)\C#N)C(C)(C)C1"	0	""	""	1	1	5471681	""
"713048"	"713048"	"2-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide"	"CC1=NN(c2nc(N)nc(n2)c3ccccc3S(=O)(=O)N)C(C)(C)C1"	0	""	""	1	1	400693	""
"713053"	"713053"	"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile"	"CC1=NN(c2nc(N)nc(n2)\C(=C/c3csc(c3)[N+](=O)[O-])\C#N)C(C)(C)C1"	0	""	""	1	1	5471684	""
"713064"	"713064"	"Methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate"	"COC(=O)\C(=N\N=C(/S)\SC)\C"	0	""	""	1	1	9572357	""
"713070"	"713070"	"STK520746"	"COc1ccc(C=C2C(=O)NC(=S)NC2=O)c3ccccc13"	0	""	""	1	1	885874	""
"713075"	"713075"	"(3R,6'RS)-3-Hydroxy-.beta.,.epsilon.-caroten-3-one"	"C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C)\C=C\C=C(/C)\C=C\C2C(=CC(=O)CC2(C)C)C"	0	""	""	1	1	5471692	""
"713079"	"713079"	"Ir(dpm)PQ2"	"N[C@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5cc6ccc7ccccc7c6cc5Oc2c34)C(=O)O"	0	""	""	1	1	400715	""
"713082"	"713082"	"18-[(3R)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid"	"N[C@@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN4c5ccc6c(ccc7ccccc67)c5Oc2c34)C(=O)O"	0	""	""	1	1	400718	""
"713155"	"713155"	"crambescidin 800 trihydrochloride"	"[Cl-].[Cl-].CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	400719	""
"713156"	"713156"	"Triacetyl crambescidin 800 hydrochloride"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	400721	""
"713159"	"713159"	""	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	2	2	400727	""
"713160"	"713160"	"Triacetyl 13,14,15-isocrambescidin 800 hydrochloride"	"CC[C@@H]1O[C@@]2(CCC=C1)C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)C[C@H](CCNC(=O)C)OC(=O)C)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2"	0	""	""	1	1	11970117	""
"713162"	"713162"	"2-(1-Hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol"	"COc1ccc2[nH]c3c(O)c(c(C)cc3c2c1)c4c(C)cc5c6cc(OC)ccc6[nH]c5c4O"	0	""	""	1	1	6712792	""
"713165"	"713165"	"5,6,7,8-Tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine"	"ClC1=C(Cl)C(=C(Cl)C2OC3C=CCC3OC12)Cl"	0	""	""	1	1	400732	""
"713188"	"713188"	"[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide"	"OCc1ccc2\C(=N/C#N)\c3ccccc3\C(=N\C#N)\c2c1"	0	""	""	1	1	400757	""
"713192"	"713192"	"2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile"	"N#CC(=C1C(=Cc2ccc(OCCCCCCCCCCSSCCCCCCCCCCOc3ccc(C=C4C(=C(C#N)C#N)c5ccccc5C4=C(C#N)C#N)cc3)cc2)C(=C(C#N)C#N)c6ccccc16)C#N"	0	""	""	1	1	400761	""
"713193"	"713193"	"2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile"	"CSCCCCCCCCCCOc1ccc(C=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1"	0	""	""	1	1	400762	""
"713196"	"713196"	"2-[5-[5-(4,9-Dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione"	"O=C1C2NC(=NC2C(=O)c3ccccc13)CCCCCSSCCCCCC4=NC5C(N4)C(=O)c6ccccc6C5=O"	0	""	""	1	1	400765	""
"713197"	"713197"	"Benzo[g]quinoxaline-2,3-dicarboxylic acid, 5,10-dihydro-..."	"CCOC(=O)c1nc2C(=O)c3ccccc3C(=O)c2nc1C(=O)OCC"	0	""	""	2	2	400766	""
"713198"	"713198"	"Benzo[g]quinoxaline-2-carboxaldehyde, 3,4,5,10-tetrahydr..."	"[O-][N+](=O)c1ccc(N\N=C\C2=NC3=C(NC2=O)C(=O)c4ccccc4C3=O)cc1"	0	""	""	2	2	135436193	""
"713200"	"713200"	"Bardoxolone Methyl"	"COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2"	0	NA	NA	4	2	NA	"218600534"
"713201"	"713201"	"3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione"	"CCN1C2=NC(=O)N(CCCCCCCCSC(c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)C2=Nc6ccccc16"	0	""	""	1	1	400770	""
"713210"	"713210"	"4-(1H-Benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline"	"Brc1ccc(cc1)c2[nH]c3ccccc3c2\C=N\Nc4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	2	2	135436194	""
"713211"	"713211"	"4-(1H-Benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline"	"N(\N=C\c1c([nH]c2ccccc12)c3ccccc3)c4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	1	1	135436195	""
"713215"	"713215"	"5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine"	"FC(F)(F)C(=O)c1cc2C(=NCCNc2c3ccccc13)C(F)(F)F"	0	""	""	1	1	135426734	""
"713288"	"713288"	"6-[(4-Chlorophenoxy)methyl]-3-[2-[6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Clc1ccc(OCc2nn3c(CCc4nnc5sc(COc6ccc(Cl)cc6)nn45)nnc3s2)cc1"	0	""	""	1	1	400782	""
"713290"	"713290"	"2-[(3-Chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione"	"CC1=NN(CNc2ccc(F)c(Cl)c2)C(=S)N1\N=C\c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	9572360	""
"713296"	"713296"	"4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione"	"CN1CCN(CN2N=C(N(\N=C\c3oc(cc3)c4ccc(Cl)cc4Cl)C2=S)c5ccccc5)CC1"	0	""	""	1	1	9572366	""
"713298"	"713298"	"5-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione"	"CN1CCN(CN2N=C(COc3ccc(Cl)cc3)N(\N=C\c4oc(cc4)c5ccc(Cl)cc5Cl)C2=S)CC1"	0	""	""	1	1	9572368	""
"713302"	"713302"	"7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one"	"Fc1ccc(cc1Cl)c2oc(cc2)C3=NN4C(=NN=C(Cc5ccc(Cl)cc5)C4=O)S3"	0	""	""	1	1	400796	""
"713306"	"713306"	"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(\C=C\2/Sc3nnc(C)n3N=C2c4cc(F)c(Cl)cc4Cl)cc1OC"	0	""	""	1	1	5471715	""
"713309"	"713309"	"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(\C=C\2/Sc3nnc(c4ccccc4)n3N=C2c5cc(F)c(Cl)cc5Cl)cc1OC"	0	""	""	1	1	5471718	""
"713310"	"713310"	"(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Fc1cc(C2=Nn3c(COc4ccccc4Cl)nnc3S/C/2=C\c5ccc(Cl)cc5)c(Cl)cc1Cl"	0	""	""	1	1	5471719	""
"713312"	"713312"	"(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1cc(OCc2nnc3S\C(=C/c4ccc(Cl)cc4)\C(=Nn23)c5cc(F)c(Cl)cc5Cl)ccc1Cl"	0	""	""	1	1	5471721	""
"713320"	"713320"	"4-Chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline"	"COc1ccc(\C=C\2/Sc3nnc(CNc4ccc(Cl)cc4)n3N=C2c5cc(F)c(Cl)cc5Cl)cc1OC"	0	""	""	1	1	5471729	""
"713324"	"713324"	"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone"	"COc1ccc(cc1)C2=NN(C(=O)c3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	400818	""
"713326"	"713326"	"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone"	"COc1ccc(cc1OC)C2=NN(C(=O)c3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	400820	""
"713334"	"713334"	"2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole"	"Clc1ccc(cc1)c2oc(cc2)c3oc(CCc4oc(nn4)c5oc(cc5)c6ccc(Cl)cc6)nn3"	0	""	""	2	2	400828	""
"713368"	"713368"	"2-Butyne, 1,4-bis(phenylsulfonyl)-"	"O=S(=O)(CC#CCS(=O)(=O)c1ccccc1)c2ccccc2"	0	""	""	2	2	400843	""
"713546"	"713546"	"1-{[2-(4-Chlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccc(Cl)cc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	400868	""
"713547"	"713547"	"1-{[2-(3,4-Dichlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"FC(F)(F)c1ccc2c(c1)nc(Cc3ccc(Cl)c(Cl)c3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	400869	""
"713548"	"713548"	"1-{[5,6-Dichloro-2-(4-chlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC4CCCN5CCCCC45)cc1"	0	""	""	1	1	400870	""
"713549"	"713549"	"1-{[5,6-Dichloro-2-(3,4-dichlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine"	"Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC4CCCN5CCCCC45)cc1Cl"	0	""	""	1	1	400871	""
"713550"	"713550"	"1-{[2-Phenyl-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine hydrochloride"	"FC(F)(F)c1ccc2c(c1)nc(c3ccccc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	400872	""
"713551"	"713551"	"1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride"	"FC(F)(F)c1ccc2c(c1)nc(c3ccc(Cl)cc3)n2CC4CCCN5CCCCC45"	0	""	""	1	1	400874	""
"713560"	"713560"	"6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline"	"CCCCC1Cc2ccccc2c3nc4ccccc4n13"	0	""	""	1	1	400885	""
"713561"	"713561"	"6-Butyl-12-methyl-5,6-dihydrobenzimidazo[2,1-a]isoquinolin-12-ium iodide"	"CCCCC1Cc2ccccc2c3[n+](C)c4ccccc4n13"	0	""	""	1	1	400886	""
"713587"	"713587"	"1,3-Dioxolo[4,5-c]pyrrole-5-carboxylic acid, tetrahydro-..."	"CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]2[C@H]3OC(C)(C)O[C@H]3CN2C(=O)OCC4c5ccccc5c6ccccc46)C(=O)OCC=C"	0	""	""	2	2	400903	""
"713589"	"713589"	"4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione"	"CCN1C(=S)NN=C1c2cc3ccccc3cc2OC(=O)C"	0	""	""	1	1	5471745	""
"713591"	"713591"	"Tribenzyl (2S,6S,10S)-4,8,12-trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylate"	"O=C(OCc1ccccc1)[C@@H]2CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N2)C(=O)OCc3ccccc3)C(=O)OCc4ccccc4"	0	""	""	2	1	5471746	""
"713608"	"713608"	"4-Methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline"	"Cc1ccc(NCc2nnc3c(nc4ccccc4n23)c5ccccc5)cc1"	0	""	""	1	1	400924	""
"713616"	"713616"	"2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile"	"CC(O)(Cc1ccccc1C#N)Cc2ccccc2C#N"	0	""	""	1	1	400932	""
"713636"	"713636"	"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate"	"CCOC(=O)Cn1nnc2cc(Nc3c(C)[n+]([O-])c4cc(F)c(OCC)cc4[n+]3[O-])ccc12"	0	""	""	1	1	135426737	""
"713649"	"713649"	"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine"	"CC1=NN(\C(=N\c2nc3ccccc3s2)\C\1=C/C=C/c4ccccc4)c5cccc(Cl)c5"	0	""	""	1	1	9572374	""
"713651"	"713651"	"4-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol"	"CCOc1cc(\C=C\2/C(/N(N=C2C)c3cccc(Cl)c3)=N\c4nc5ccccc5s4)ccc1O"	0	""	""	1	1	135436211	""
"713655"	"713655"	"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one"	"CC1=NN(c2cccc(Cl)c2)C3(SCC(=O)N3c4nc5ccccc5s4)/C/1=C\C=C\c6ccccc6"	0	""	""	1	1	5471757	""
"713659"	"713659"	"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one"	"CC1=NN(c2cccc(Cl)c2)C3(SCC(=O)N3c4nc5ccccc5s4)/C/1=C\c6ccc(Cl)cc6"	0	""	""	1	1	5471761	""
"713661"	"713661"	"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"CC1=NN(c2cccc(Cl)c2)C3(C(Cl)C(=O)N3c4nc5ccccc5s4)/C/1=C\C=C\c6ccccc6"	0	""	""	2	1	5471763	""
"713663"	"713663"	"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"COc1cc(\C=C/2\C(=NN(c3cccc(Cl)c3)C24C(Cl)C(=O)N4c5nc6ccccc6s5)C)ccc1O"	0	""	""	1	1	135436215	""
"713664"	"713664"	"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one"	"CN(C)c1ccc(\C=C/2\C(=NN(c3cccc(Cl)c3)C24C(Cl)C(=O)N4c5nc6ccccc6s5)C)cc1"	0	""	""	1	1	5471766	""
"713672"	"713672"	"3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one"	"Oc1ccccc1C2SCC(=O)N2c3ccc4N=C5C(=C6Oc7cc(ccc7N=C6C(=C5Oc4c3)Cl)N8C(SCC8=O)c9ccccc9O)Cl"	0	""	""	1	1	400979	""
"713673"	"713673"	"3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one"	"CCOc1cc(ccc1O)C2SCC(=O)N2c3ccc4N=C5C(=C6Oc7cc(ccc7N=C6C(=C5Oc4c3)Cl)N8C(SCC8=O)c9ccc(O)c(OCC)c9)Cl"	0	""	""	1	1	400980	""
"713682"	"713682"	"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5"	0	""	""	1	1	5471774	""
"713685"	"713685"	"AO-240/14587015"	"Clc1ccc(\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5)cc1"	0	""	""	1	1	1815886	""
"713686"	"713686"	"(5Z)-5-Benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\c6ccccc6)\N=C5c7ccccc7)C(=N/C/1=C\c8ccccc8)c9ccccc9"	0	""	""	1	1	5471777	""
"713687"	"713687"	"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\C=C\c6ccccc6)\N=C5c7ccccc7)C(=N/C/1=C\C=C\c8ccccc8)c9ccccc9"	0	""	""	1	1	5471778	""
"713688"	"713688"	"(5Z)-5-[(2-Hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccccc7O)\N=C6c8ccccc8)C2=O)c9ccccc9"	0	""	""	1	1	5471779	""
"713690"	"713690"	"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccc(Cl)cc7)\N=C6c8ccccc8)C2=O)c9ccccc9)cc1"	0	""	""	1	1	5471781	""
"713705"	"713705"	"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1ccccc1\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5"	0	""	""	1	1	5471788	""
"713706"	"713706"	"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3nc4ccccc4s3)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	5471789	""
"713707"	"713707"	"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one"	"O=C1N(C(=N/C/1=C\c2cccs2)c3ccccc3)c4nc5ccccc5s4"	0	""	""	1	1	5471790	""
"713709"	"713709"	"(5Z)-5-[(2-Nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one"	"[O-][N+](=O)c1ccccc1\C=C\2/N=C(N(C3Nc4cc5SC(Nc5cc4S3)N6C(=O)\C(=C\c7ccccc7[N+](=O)[O-])\N=C6c8ccccc8)C2=O)c9ccccc9"	0	""	""	1	1	5471792	""
"713711"	"713711"	"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one"	"O=C1N(C2Nc3cc4SC(Nc4cc3S2)N5C(=O)\C(=C\c6cccs6)\N=C5c7ccccc7)C(=N/C/1=C\c8cccs8)c9ccccc9"	0	""	""	1	1	5471794	""
"713730"	"713730"	"2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate"	"Cc1c2C(=O)N(CCSC(=N)N)C(=O)c2c(C)n1c3ccccc3"	0	""	""	1	1	401025	""
"713750"	"713750"	"4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione"	"Cc1c2C(=O)N(CCN3CCN(CC3)c4cccc(c4)C(F)(F)F)C(=O)c2c(C)n1c5ccccc5"	0	""	""	1	1	401045	""
"713752"	"713752"	"2-Butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione"	"CCCCn1c(C)c2C(=O)N(CC(O)CN3CCc4ccccc4C3)C(=O)c2c1C"	0	""	""	1	1	401047	""
"713759"	"713759"	"(3Z)-3-[Hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one"	"Cc1cc(C)c2C(=C(N(CCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)c2n1)C(=O)c5ccccc5)O"	0	""	""	1	1	5471800	""
"713760"	"713760"	"(3Z)-3-[Hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one"	"COc1ccccc1N2CCN(CCCN3C(=C(O)c4c(C)cc(C)nc4S3(=O)=O)C(=O)c5ccccc5)CC2"	0	""	""	1	1	5471801	""
"713761"	"713761"	"LS-91170"	"Cc1cc(C)c2C(=C(N(CCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)S(=O)(=O)c2n1)C(=O)c5ccc(Cl)cc5)O"	0	""	""	1	1	5471802	""
"713763"	"713763"	"Rebimastat"	"CNC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C"	0	"PSM"	"Clinical trial"	1	1	401057	""
"713771"	"713771"	"Brefeldin A,2,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-"	"C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@@H](CC(=O)O1)S(=O)c3cccc(N)c3"	0	""	""	2	2	24202618	"376648134"
"713791"	"713791"	"14-Hydroxyhypocretenolide-.beta.-D-glucoside-4',14\"-hydr..."	"CC1=CC(=O)C2C(CO)CC[C@H](C[C@]12O)C(=C)C(=O)OC3C(O)C(O)C(OCC4CC[C@@H]5C[C@@]6(OC(=O)C5=C)C4C(=O)C=C6C)OC3CO"	0	""	""	2	2	401063	""
"713799"	"713799"	"(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-Dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-met"	"COC[C@@H](C[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(/C)\C=C(/C)\C=C(/C)\C(=O)O2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]4C[C@](C)(O)[C@@H](O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5)C(C)O4"	0	""	""	2	2	5471806	""
"713829"	"713829"	"(3S,10R,13S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"COc1ccc(\C=C\2/CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	5471809	""
"713831"	"713831"	"(3S,10R,13S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"COc1ccc(\C=C/2\C(\[C@@]3(C(C2)C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC3)C)=N/O)cc1OC"	0	""	""	1	1	9572381	""
"713910"	"713910"	"2-(3,3a,4,8b-Tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CN3CC4Nc5ccccc5C4C3)Sc2n1"	0	""	""	1	1	401087	""
"713911"	"713911"	"2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CC(O)CN3CCN(CCOCCO)CC3)Sc2n1"	0	""	""	1	1	401088	""
"713915"	"713915"	"2-[2-Hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one"	"Cc1cc(C)c2C(=O)N(CC(O)CN3CCN(CC3)c4ncccn4)Sc2n1"	0	""	""	1	1	401092	""
"713917"	"713917"	"[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate"	"CC(=O)OC(CN1CCN(CC1)c2ccccn2)CN3Sc4nc(C)cc(C)c4C3=O"	0	""	""	1	1	401094	""
"714000"	"714000"	"4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3cc(ccc3CCC2)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	1	1	401106	""
"714004"	"714004"	"12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	"CCN1CCc2sc3N=C(S)N(C)C(=O)c3c2C1"	0	""	""	1	1	5471815	""
"714070"	"714070"	"Hexyl (E)-3-[(2S,4Z)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]prop-2-enoate"	"CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)\C(=O)O1"	0	""	""	1	1	5471817	""
"714071"	"714071"	""	"CC(C)CC(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"	0	NA	NA	1	1	NA	""
"714074"	"714074"	"2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester"	"CCC[C@H](NS(=O)c1ccc(C)cc1)C(=C(c2ccccc2)c3ccccc3)C(=O)OCC"	0	""	""	1	1	5471819	""
"714075"	"714075"	"(Z)-4-(2-Aminoanilino)-1,1,1-trichlorobut-3-en-2-one"	"Nc1ccccc1N\C=C/C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	5471820	""
"714076"	"714076"	"(Z)-1,1,1-Trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	"Oc1ccccc1N\C=C/C(=O)C(Cl)(Cl)Cl"	0	""	""	1	1	5471821	""
"714121"	"714121"	"[(3Ar,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate"	"Cc1cc(C)c(c(C)c1)[S@@](=O)O[C@H]2[C@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@H]4COC(C)(C)O4"	0	""	""	1	1	9572384	""
"714122"	"714122"	"(1R,2S,6R,7S)-4-(2,5-Ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"	"CC(C)(C)c1ccc(c(c1)N2C(=O)[C@@H]3[C@H]4C[C@H](C=C4)[C@]3(C)C2=O)C(C)(C)C"	0	""	""	1	1	401154	""
"714123"	"714123"	"2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione"	"CC1=C(C)CC2C(C1)C(=O)N(C2=O)c3cc(ccc3C(C)(C)C)C(C)(C)C"	0	""	""	1	1	401155	""
"714187"	"714187"	"3,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridin..."	"CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[n+]3C"	0	""	""	1	1	9804187	""
"714203"	"714203"	"2,6-di-[2-(furan-2-yl)vinyl]pyridine"	"o1cccc1\C=C\c2cccc(\C=C\c3occc3)n2"	0	""	""	1	1	5471824	""
"714204"	"714204"	"2,6-di-[2-(thien-2-yl)vinyl]pyridine"	"C(=C\c1cccs1)/c2cccc(\C=C\c3cccs3)n2"	0	""	""	1	1	5471825	""
"714205"	"714205"	"2,6-di-[2(pyridin-2-yl)vinyl]pyridine"	"C(=C\c1cccc(\C=C\c2ccccn2)n1)/c3ccccn3"	0	""	""	1	1	5471826	""
"714362"	"714362"	"8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(OC)c(c1)C2CCc3c(C2)cnc4nc(N)nc(N)c34"	0	""	""	1	1	401166	""
"714363"	"714363"	"Pyrimido[4,5-b]quinoline-2,4-diamine, 7-(2,5-dimethoxyph..."	"COc1ccc(OC)c(c1)C2CCc3nc4nc(N)nc(N)c4cc3C2"	0	""	""	2	2	401167	""
"714364"	"714364"	"8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"Nc1nc(N)c2c3CCC(Cc3cnc2n1)c4ccccc4"	0	""	""	1	1	401168	""
"714365"	"714365"	"8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(cc1)C2CCc3c(C2)cnc4nc(N)nc(N)c34"	0	""	""	1	1	401169	""
"714366"	"714366"	"7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine"	"COc1ccc(cc1)C2CCc3nc4nc(N)nc(N)c4cc3C2"	0	""	""	1	1	401170	""
"714369"	"714369"	"Meridianin D"	"Nc1nccc(n1)c2c[nH]c3cc(Br)ccc23"	0	""	""	1	1	401171	""
"714370"	"714370"	"dehydrotamandarin-A"	"CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(=O)C)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	""	""	2	2	401172	""
"714375"	"714375"	"6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine"	"Clc1nc2c(ncnc2n1C3CCCCO3)C#Cc4ccccc4"	0	""	""	1	1	401174	""
"714378"	"714378"	"9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine"	"Clc1nc2c(ncnc2n1Cc3ccccc3)c4cccs4"	0	""	""	2	2	401177	""
"714379"	"714379"	"9-Benzyl-6-chloro-8-(2-phenylethynyl)purine"	"Clc1ncnc2c1nc(C#Cc3ccccc3)n2Cc4ccccc4"	0	""	""	1	1	401178	""
"714380"	"714380"	"9-Benzyl-6-chloro-8-ethenyl-9H-purine"	"Clc1ncnc2c1nc(C=C)n2Cc3ccccc3"	0	""	""	2	2	401179	""
"714391"	"714391"	"15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	"CC1(C)CC(=O)c2c(C1)nc3CC(C)(C)Cc4[nH]c(c5ccc(Br)cc5)c2c34"	0	""	""	1	1	5471830	""
"714392"	"714392"	"5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one"	"CC1(C)CC(=O)c2c(C1)nc3CC(C)(C)Cc4[nH]c(c5ccc(cc5)[N+](=O)[O-])c2c34"	0	""	""	1	1	5471831	""
"714407"	"714407"	"[(Z)-[2-[[6-[[2-[(Z)-(Carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea"	"NC(=O)N\N=C\c1ccccc1OCc2cccc(COc3ccccc3\C=N\NC(=O)N)n2"	0	""	""	1	1	54604867	""
"714408"	"714408"	"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propa"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]2O)C(=O)NC(Cc6c[nH]c7ccccc67)C(=O)OC"	0	""	""	1	1	54604865	""
"714423"	"714423"	"Methyl (3R,3aS)-4-oxo-3-phenyl-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate"	"COC(=O)C1=NN2[C@@H]([C@H]1c3ccccc3)C(=O)N(Cc4ccccc24)[C@@H](C)c5ccccc5"	0	""	""	1	1	401219	""
"714424"	"714424"	"Methyl (3S,3aR)-3-methyl-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate"	"COC(=O)C1=NN2[C@H]([C@@H]1C)C(=O)N(Cc3ccccc23)[C@@H](C)c4ccccc4"	0	""	""	1	1	401220	""
"714445"	"714445"	"N-[1,3-Bis(1,10-phenanthrolin-2-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCC(=O)NC(COc4ccc5ccc6cccnc6c5n4)COc7ccc8ccc9cccnc9c8n7)c2c1"	0	""	""	1	1	401238	""
"714446"	"714446"	"N-[1,3-Bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide"	"COc1ccc2nc3cc(Cl)ccc3c(NCCCCCC(=O)NC(COc4cnc5c(ccc6cccnc56)c4)COc7cnc8c(ccc9cccnc89)c7)c2c1"	0	""	""	1	1	401239	""
"714452"	"714452"	"4-Chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide"	"Clc1ccc(cc1)C(=O)NC2=NN(C(=O)c3cccnc3)C(=O)S2"	0	""	""	1	1	401245	""
"714454"	"714454"	"2-[5-(4-Chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate"	"COc1cc(cc(OC)c1OC)C(=O)OCCN2NC(=NC2=S)c3ccc(Cl)cc3"	0	""	""	1	1	5471842	""
"714465"	"714465"	""	"CCCNC(=O)CCC(C)C1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CC[C@@]7(C)[C@H](C[C@@H](OC(=O)C)C8C9CCC(C(C)CCC(=O)NCCC)[C@@]9(C)[C@H](CC78)OC(=O)C)C6)OO5)OC(=O)C"	0	""	""	3	2	401252	""
"714512"	"714512"	"{(e)-[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2oc3ccccc3n2)C#N"	0	""	""	1	1	401258	""
"714531"	"714531"	"Naphtho[3,2-c]isochromene-5,7,12-trione"	"O=C1OC2=C(C(=O)c3ccccc3C2=O)c4ccccc14"	0	""	""	1	1	401276	""
"714597"	"714597"	"Imexon"	"N=C1NC(=O)N2CC12"	0	"Apo"	"Clinical trial"	2	2	NA	"59643913"
"714598"	"714598"	"Ammonium tetrathiomolybdate"	"S=[Mo-2](=S)(=S)=S"	0	NA	NA	1	1	NA	"15060556"
"714602"	"714602"	"Funkiosid H"	"CC1CC[C@@]2(OC1)OC3C[C@H]4[C@@H]5CC=C6CC(CCC6(C)[C@H]5CCC4(C)C3[C@@H]2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(OC%11OC(C)C(OC%12OC(C)C(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C7O"	0	""	""	1	1	401296	""
"714604"	"714604"	"Purpureagitosid"	"CC(CC[C@@]1(O)OC2C[C@H]3[C@@H]4CC[C@H]5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC9OC(CO)C(O)C(O)C9O)C(O)C6O)[C@H](O)CC5(C)[C@H]4CCC3(C)C2[C@@H]1C)COC%10OC(CO)C(O)C(O)C%10O"	0	""	""	1	1	401298	""
"714611"	"714611"	"BEMDGXSOILVUJR-UHFFFAOYSA-N"	"CCSSCS(=O)(=O)C"	0	""	""	1	1	401305	""
"714616"	"714616"	""	"C1CCC2N=C(NC2C1)c3ccc(cc3)c4oc(cc4)c5ccc(cc5)C6=NC7CCCCC7N6"	0	NA	NA	1	1	NA	""
"714620"	"714620"	""	"C1CNC(=NC1)c2ccc(cc2)c3oc(cc3)c4ccc(cc4)C5=NCCCN5"	0	NA	NA	1	1	NA	""
"714632"	"714632"	"Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate"	"CCOC(=O)CC1(O)CCCCC1(Sc2ccc(C)cc2)Sc3ccc(C)cc3"	0	""	""	1	1	401322	""
"714636"	"714636"	"3-[2-(5-Bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	"CC(C)Oc1cccc(c1)N2C(=NS(=O)(=O)c3cnccc23)CCc4c[nH]c5ccc(Br)cc45"	0	""	""	1	1	401326	""
"714645"	"714645"	"N-(1H-Indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine"	"O=S1(=O)N=C(NCc2c[nH]c3ccccc23)N(c4ccccc4)c5ccncc15"	0	""	""	1	1	135426739	""
"714652"	"714652"	"3-(Benzylsulfanyl)-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide"	"O=S1(=O)N=C(SCc2ccccc2)N(c3ccccc3)c4ccncc14"	0	""	""	1	1	401340	""
"714655"	"714655"	"N-(Benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide"	"CC(C)(C(=O)N(C(=O)N1CCN(CC1)c2ccccc2)S(=O)(=O)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	401343	""
"714656"	"714656"	"N-(Benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide"	"Clc1ccc(cc1)C2(CCCC2)C(=O)N(C(=O)N3CCN(CC3)c4ccccc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	401344	""
"714663"	"714663"	"N-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide"	"CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N2CCN(CC2)c3ccccc3)c4ccccc4"	0	""	""	1	1	401351	""
"714672"	"714672"	"O-(1-Adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate"	"Clc1ccc(cc1Cl)C(=O)N(C(=S)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	401360	""
"714674"	"714674"	"O-(1-Adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate"	"COc1cc(cc(OC)c1OC)C(=O)N(C(=S)OC23CC4CC(CC(C4)C2)C3)c5ccccc5"	0	""	""	1	1	401362	""
"714680"	"714680"	"2,4-Dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1ccc(C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4ccc(Cl)cc4Cl)c(Cl)c1"	0	""	""	1	1	401368	""
"714681"	"714681"	"3,4-Dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1ccc(cc1Cl)C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	401369	""
"714682"	"714682"	"3,5-Dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"Clc1cc(Cl)cc(c1)C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4cc(Cl)cc(Cl)c4"	0	""	""	1	1	401370	""
"714685"	"714685"	"2,4,6-Trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide"	"Clc1cc(Cl)c(C(=O)N(Cc2cccnc2)C(=S)N(Cc3cccnc3)C(=O)c4c(Cl)cc(Cl)cc4Cl)c(Cl)c1"	0	""	""	1	1	401373	""
"714686"	"714686"	"4-Phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide"	"O=C(N(Cc1cccnc1)C(=S)N(Cc2cccnc2)C(=O)c3ccc(cc3)c4ccccc4)c5ccc(cc5)c6ccccc6"	0	""	""	1	1	401374	""
"714690"	"714690"	"N-(Pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide"	"O=C(N(Cc1cccnc1)C(=S)N(Cc2cccnc2)C(=O)c3cccs3)c4cccs4"	0	""	""	1	1	401378	""
"714929"	"714929"	"3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.2]octane hydrochloride"	"Clc1ccc(OCC2NC3CCC2CC3)cn1"	0	""	""	1	1	401397	""
"715055"	"715055"	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	NA	"184475352"
"715064"	"715064"	"3-(3-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1cccc(c1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	401412	""
"715065"	"715065"	"3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1ccc(cc1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	401413	""
"715067"	"715067"	"3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"COc1cccc(c1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	401415	""
"715068"	"715068"	"3-(4-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"COc1ccc(cc1)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O"	0	""	""	1	1	401416	""
"715070"	"715070"	"3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"Clc1cccc(N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O)c1Cl"	0	""	""	1	1	401418	""
"715072"	"715072"	"3-Cyclopropyl-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide"	"O=C1CS(=O)(=O)C(N1C2CC2)c3cccc(Oc4ccccc4)c3"	0	""	""	1	1	401420	""
"715082"	"715082"	"11-hydroxyusambarine Chlorhydrate"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7cc(O)ccc67)C[C@@H]4C=C"	0	""	""	2	2	401426	""
"715084"	"715084"	"pervilleanone"	"COc1c(O)c(cc(c1OC)C(C)(C)C=C)[C@@H]2COc3cc(O)ccc3C2=O"	0	""	""	1	1	401429	""
"715085"	"715085"	"3'-O-Demethylpervilleanone"	"COc1c(O)c(O)c(cc1C(C)(C)C=C)[C@@H]2COc3cc(O)ccc3C2=O"	0	""	""	1	1	401430	""
"715092"	"715092"	"Methyl (1R,2S,4R,6R,7R,11S,12R,15R)-7,11-dimethyl-15-propan-2-yl-3,16,17,18-tetraoxapentacyclo[13.2.1.02,4.02,12.06,11]octadecane-7-carboxylate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(OO[C@@H](O4)[C@]35O[C@@H]5C[C@@H]12)C(C)C"	0	""	""	2	2	6712813	""
"715099"	"715099"	"Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(2-furoylamino)propanoate"	"CCOC(=O)C(NC(=O)c1occc1)(Nc2nc3ccc(OCC)cc3s2)C(F)(F)F"	0	""	""	1	1	401439	""
"715100"	"715100"	"4-[1,1,1,3,3,3-Hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one"	"CC1CN=C(S1)N(CCc2ccccc2)C(C3=C(C)NN(C3=O)c4ccccc4)(C(F)(F)F)C(F)(F)F"	0	""	""	1	1	401440	""
"715119"	"715119"	"Potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide"	"[K+].[O-]\[N+](=C/c1ccccc1OC(=S)S)\c2ccc(Cl)cc2"	0	""	""	1	1	54611817	""
"715121"	"715121"	"2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline"	"COc1cc(OC)cc(Oc2nc3ccccc3nc2C(F)(F)F)c1"	0	""	""	1	1	401463	""
"715126"	"715126"	"[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester"	"CCOC(=O)Cc1ccc(Nc2nc3cc(F)c(F)cc3nc2C(=O)OCC)cc1"	0	""	""	1	1	401468	""
"715135"	"715135"	"Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate"	"CCOC(=O)CCC(NC(=O)Cc1ccc(Nc2nc3ccccc3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	401477	""
"715142"	"715142"	"4H-1-Benzopyran-4-one,6-[[(ethoxy)imino]methyl]-2-phenyl-"	"CCO\N=C/c1ccc2OC(=CC(=O)c2c1)c3ccccc3"	0	""	""	2	2	9572386	""
"715145"	"715145"	"Ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate"	"CCOC(=O)[C@@H](Cc1ccc(CCl)cc1)NC(=O)C"	0	""	""	1	1	401487	""
"715186"	"715186"	"STK134301"	"Oc1ccccc1\C=N\NC(=O)Cc2ccccc2"	0	""	""	1	1	135400303	""
"715190"	"715190"	"1-(2-Chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea"	"C\C(=N/NC(=O)Nc1ccccc1Cl)\c2ccc(O)cc2"	0	""	""	1	1	135436232	""
"715191"	"715191"	"3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea"	"Clc1ccccc1NC(=O)NN=C2CCCCC2"	0	""	""	1	1	401532	""
"715192"	"715192"	"1-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea"	"Clc1ccccc1NC(=O)N\N=C\c2ccc3OCOc3c2"	0	""	""	2	2	9572409	""
"715223"	"715223"	"4,6-Dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1oc(\C=N\Nc2c3NC(=O)Nc3c(c(N\N=C\c4oc(cc4)[N+](=O)[O-])c2[N+](=O)[O-])[N+](=O)[O-])cc1"	0	""	""	1	1	16129957	""
"715224"	"715224"	"N-Ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide"	"CCNC(=O)c1cc(\C=C\c2oc(cc2)[N+](=O)[O-])nc3ccccc13"	0	""	""	2	2	5471900	""
"715227"	"715227"	"N,N-Dimethyl-4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]aniline"	"CN(C)c1ccc(\C=N\c2cc(C)nn2c3ccccc3)cc1"	0	""	""	1	1	9572411	""
"715229"	"715229"	"Methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate"	"COC(=O)c1ccc(\C=N\c2cc(C)nn2c3ccccc3)cc1"	0	""	""	1	1	9572413	""
"715266"	"715266"	"Benzoxazole, 5-chloro-2-(chloromethyl)-"	"ClCc1oc2ccc(Cl)cc2n1"	0	""	""	2	2	401571	""
"715269"	"715269"	"2-(2-Cyclohexylethyl)-5-chlorobenzoxazole"	"Clc1ccc2oc(CCC3CCCCC3)nc2c1"	0	""	""	1	1	401574	""
"715286"	"715286"	"Cambridge id 6921328"	"COc1ccc(cc1)C(=O)Nc2ccc3oc(nc3c2)c4ccccc4"	0	""	""	1	1	401590	""
"715325"	"715325"	"(1r,2s,3r,4s)-3-(Benzylsulfanyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol"	"CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2SCc3ccccc3"	0	""	""	1	1	401628	""
"715327"	"715327"	"Phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate"	"CC(CO)C1=CC(C#CCOCc2ccccc2)N(C(=O)Oc3ccccc3)c4ccccc14"	0	""	""	1	1	6712814	""
"715329"	"715329"	"Phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate"	"C[C@@H](CO)C1=CC(C#C[Si](C)(C)C)N(C(=O)Oc2ccccc2)c3ccccc13"	0	""	""	1	1	5471910	""
"715334"	"715334"	"5-[(Z)-[5-[(E)-(5-Imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile"	"CC1(C)CC(=N)O/C/1=C/C2=N\C(=C/C3=NC(C)(CC3(C)C)C#N)\CC2(C)C"	0	""	""	1	1	5471911	""
"715335"	"715335"	"(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-Dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(triflu"	"CC1(C)C\C(=C\C2=NC(=CC2(C)C)\C=C/3\N(C(=CC3(C)C)\C=C/4\N(C(C)(CC4(C)C)C#N)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)\NC1=O"	0	""	""	1	1	5471912	""
"715343"	"715343"	"6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole"	"Clc1ccc2[nH]c(CC3CCCC3)nc2c1"	0	""	""	1	1	401641	""
"715344"	"715344"	"3-(Hydroxymethyl)-5-[(hydroxymethyl)sulfanyl]-1,3,4-thiadiazole-2(3h)-thione"	"OCSC1=NN(CO)C(=S)S1"	0	""	""	1	1	401642	""
"715360"	"715360"	"1,4-Dihydro-4-oxo-3'-propargylthio-3,4'-diquinolinyl sul..."	"O=C1C(=CNc2ccccc12)Sc3c(SCC#C)cnc4ccccc34"	0	""	""	1	1	401658	""
"715367"	"715367"	"2-Methoxyestra-2,5(10)-dien-1,4,17-trione"	"COC1=CC(=O)C2=C([C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC2)C1=O"	0	""	""	1	1	401659	""
"715368"	"715368"	"17.beta.-Hydroxy-2-methoxyestra-2,5(10)-dien-1,4-dione"	"COC1=CC(=O)C2=C([C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC2)C1=O"	0	""	""	1	1	401660	""
"715399"	"715399"	"[(2R,3S,4R,5R)-5-(6-Chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate"	"O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)O[C@H]1n6cnc7c(Cl)ncnc67"	0	""	""	1	1	401669	""
"715405"	"715405"	"(1S,2S,4R,7R,9S,10R)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.5.0.02,7]pentadec-13-en-10-ol"	"CO[C@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]3CC=CCC[C@]13O)c4ccccc4"	0	""	""	1	1	401675	""
"715407"	"715407"	"1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate"	"CC(C)(C)OC(=O)N1C[C@H](CC(=O)OCc2ccccc2)C[C@H]1C(=O)OCC(Cl)(Cl)Cl"	0	""	""	1	1	401677	""
"715422"	"715422"	"[(4R)-4-[(Z)-4-[Tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone"	"CC(C)(C)[Si](OCC\C=C/[C@@H]1COC(C)(C)N1C(=O)c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	5471919	""
"715423"	"715423"	"Methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate"	"CCCCCCCCC[C@@H]1C[C@@H]2CCC3N2C(=NC(=C3C(=O)OC)C)N1"	0	""	""	1	1	401693	""
"715431"	"715431"	"(1S,3R,3As,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde"	"C\C=C\[C@@H]1O[C@H](CC#C[Si](C)(C)C)[C@]2(C=O)[C@H]1[C@H](CC=C2C)C(C)C"	0	""	""	1	1	5471920	""
"715437"	"715437"	"(2S,3Z)-2-(Iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one"	"COc1ccc(CN2[C@H](CI)\C=C/CCCC2=O)cc1"	0	""	""	1	1	5471925	""
"715438"	"715438"	"N,N-Dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide"	"CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)[C@H](CC(=O)N(Cc2ccccc2)Cc3ccccc3)[C@H]1CC=C"	0	""	""	1	1	401708	""
"715448"	"715448"	"N-[2-[(6S)-6-[Dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine"	"C[Si](C)([C@H]1CCCC=C1CCNC2c3ccccc3CCc4ccccc24)c5ccccc5"	0	""	""	1	1	401718	""
"715453"	"715453"	"3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde"	"CC(C)[Si](Oc1ccc(CC2N(C(CCc3ccccc3)CC2(C)C=O)C(=O)c4ccc(cc4)[N+](=O)[O-])cc1)(C(C)C)C(C)C"	0	""	""	1	1	401723	""
"715457"	"715457"	"[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone"	"CC1(CNCc2ccccc2)CC(CCc3ccccc3)N(C1Cc4ccc(O)cc4)C(=O)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	401727	""
"715469"	"715469"	"Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate"	"COC(=O)C(CCC1CN(C=C1)S(=O)(=O)c2ccc(C)cc2)\N=C\c3ccccc3"	0	""	""	1	1	401739	""
"715480"	"715480"	"Triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane"	"C(O[Si](c1ccccc1)(c2ccccc2)c3ccccc3)[C@@]45CC[C@H]6CN[C@@H]([C@@H](N4)c7ccccc7)[C@@H]56"	0	""	""	1	1	401750	""
"715481"	"715481"	"Tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane"	"Cc1ccc(cc1)S(=O)(=O)N2C[C@@H]3CC[C@]4(CO[Si](C)(C)C(C)(C)C)N[C@H]([C@H]2[C@H]34)c5ccccc5"	0	""	""	1	1	401751	""
"715487"	"715487"	"5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate"	"COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1)c4occc4)[C@@H]23)C(=O)OCc5ccccc5"	0	""	""	1	1	401757	""
"715489"	"715489"	"5-O-Benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate"	"COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1S(=O)(=O)c4ccc(C)cc4)C(=O)OCC[Si](C)(C)C)[C@@H]23)C(=O)OCc5ccccc5"	0	""	""	1	1	401759	""
"715496"	"715496"	"(Z)-3-[(2R,3S,4S,5S)-3,4-Dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal"	"C[C@@H]1O[C@](C)(\C=C(\C)/C=O)[C@@H](O)[C@]1(C)O"	0	""	""	1	1	5471937	""
"715500"	"715500"	"(E,2S)-5-[Furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol"	"C[C@H](O)C(C)(O)\C(=C\[Si](C)(C)c1occc1)\C"	0	""	""	1	1	5471939	""
"715516"	"715516"	"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone"	"COc1ccc(CC2N(CCC3=C2CCC4(C3)OCCO4)C(=O)C5CCC5)cc1O"	0	""	""	1	1	401786	""
"715518"	"715518"	"5-{[2-(Cyclopropylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol"	"COC1=CCC2=C(CCN(C2Cc3ccc(OC)c(O)c3)C(=O)C4CC4)C1"	0	""	""	1	1	401788	""
"715520"	"715520"	"5-{[2-(Cyclobutylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol"	"COC1=CCC2=C(CCN(C2Cc3ccc(OC)c(O)c3)C(=O)C4CCC4)C1"	0	""	""	1	1	401790	""
"715522"	"715522"	"[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone"	"COc1cc(Br)c(CC2N(CCC3=C2CCC4(C3)OCCO4)C(=O)C5CCC5)cc1O"	0	""	""	1	1	401792	""
"715523"	"715523"	"1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one"	"COc1cc(Br)c(CC2N(CCC3=C2CCC(=O)C3)C(=O)C4CCC4)cc1O"	0	""	""	1	1	401793	""
"715527"	"715527"	"3-(3,10-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	"CN(C)CCCN1c2ccc(cc2CCc3cccc(c13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	401797	""
"715528"	"715528"	"3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid"	"CN(C)CCCN1c2ccc(cc2CCc3cc(ccc13)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	401799	""
"715545"	"715545"	"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid"	"Fc1ccc(cc1)C(OCCN2CCN(CCCCl)CC2)c3ccc(F)cc3"	0	""	""	1	1	5471947	""
"715559"	"715559"	"3-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate"	"Nc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1"	0	""	""	1	1	401855	""
"715561"	"715561"	"1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate"	"COc1ccccc1CCN2CCN(CCCc3ccccc3)CC2"	0	""	""	1	1	401859	""
"715572"	"715572"	"2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one"	"CN1C2CCC1C(CO)C(=O)C2"	0	""	""	1	1	401880	""
"715577"	"715577"	"(8E)-8-[(3,4-Dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid"	"CN1CCC2(CC1\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)C2)c4ccccc4"	0	""	""	2	1	24202621	""
"715581"	"715581"	"N-[Bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride"	"CN1C2CCC1CC(CC(=O)NC(c3ccc(F)cc3)c4ccc(F)cc4)C2"	0	""	""	1	1	401891	""
"715584"	"715584"	"3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-9-(1h-indol-2-ylcarbonyl)-3,9-diazabicyclo[4.2.1]nonane"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C(=O)c4cc5ccccc5[nH]4)c6ccc(F)cc6"	0	""	""	1	1	401896	""
"715586"	"715586"	"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C\C=C\c4cccs4)c5ccc(F)cc5"	0	""	""	1	1	5471951	""
"715588"	"715588"	"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid"	"Fc1ccc(cc1)C(OCCN2CCC3CCC(C2)N3C\C=C\c4occc4)c5ccc(F)cc5"	0	""	""	1	1	5471955	""
"715589"	"715589"	"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid"	"OC1C(CN2CCN(CCOC(c3ccc(F)cc3)c4ccc(F)cc4)CC2)CCc5ccccc15"	0	""	""	1	1	5471957	""
"715594"	"715594"	"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid"	"COc1ccc2C=C(CN3CCN(CCOC(c4ccc(F)cc4)c5ccc(F)cc5)CC3)CCc2c1"	0	""	""	1	1	5471959	""
"715595"	"715595"	"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid"	"COc1ccc2C(O)C(CN3CCN(CCOC(c4ccc(F)cc4)c5ccc(F)cc5)CC3)CCc2c1"	0	""	""	1	1	5471960	""
"715597"	"715597"	"3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid"	"OC(CCN1CCN(CCOC(c2ccccc2)c3ccccc3)CC1)c4ccccc4"	0	""	""	1	1	5471962	""
"715638"	"715638"	"Presqualene alcohol"	"CC(=CCC\C(=C\CC\C(=C\[C@@H]1[C@@H](CO)[C@]1(C)CC\C=C(/C)\CCC=C(C)C)\C)\C)C"	0	""	""	1	1	5471965	""
"715639"	"715639"	"16.alpha.-Hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21..."	"CC(=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@@H](CC3)C(=C)C)C(=O)O)C"	0	""	""	1	1	5471966	""
"715643"	"715643"	"Methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dio"	"COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)C3CCCCC4(CC(O)C(C(C(O)CC56CCCCC7[C@@H](C)[C@H](C[C@@H]8[C@]7(C)CC[C@@H](O)[C@@]8(C)C(=O)OC)O[C@H]([C@@H](O)[C@H](O)O5)[C@H]6O)C9=CC(=O)OC9)C%10=CC(=O)OC%10)O[C@H](O)[C@@H](O)[C@H](O[C@H](C[C@H]12)[C@H]3C)[C@@H]4O"	0	""	""	2	2	401955	""
"715647"	"715647"	"[(E)-[4-[[6-[[4-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea"	"NC(=S)N\N=C/c1ccc(OCc2cccc(COc3ccc(\C=N\NC(=S)N)cc3)n2)cc1"	0	""	""	1	1	5471967	""
"715648"	"715648"	"[(Z)-[2-[[6-[[2-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea"	"NC(=S)N\N=C\c1ccccc1OCc2cccc(COc3ccccc3\C=N\NC(=S)N)n2"	0	""	""	2	2	54611756	""
"715653"	"715653"	"3,6-Bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride"	"Cn1c2ccc(cc2c3cc(ccc13)C4=NCCN4)C5=NCCN5"	0	""	""	1	1	401965	""
"715654"	"715654"	"9-(Cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride"	"C(C1CCCCC1)n2c3ccc(cc3c4cc(ccc24)C5=NCCN5)C6=NCCN6"	0	""	""	1	1	401967	""
"715657"	"715657"	"6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(Cc5ccccc45)c13"	0	""	""	2	2	135426740	""
"715658"	"715658"	"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one"	"O=C1NN=Cc2[nH]c3c(CCc4ccccc34)c12"	0	""	""	1	1	135426741	""
"715660"	"715660"	"6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one"	"CC1=NNC(=O)c2c3Cc4ccccc4c3[nH]c12"	0	""	""	1	1	135426742	""
"715664"	"715664"	"Phenol, 4-(5,6-dimethyl-1H-benzimidazol-2-yl)- 2,6-bis(1..."	"Cc1cc2nc([nH]c2cc1C)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C"	0	""	""	2	2	401977	""
"715682"	"715682"	"(5E)-2-[(4-Methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one"	"Cc1ccc(OCC2=NN3C(N2)S\C(=C\c4oc(cc4)[N+](=O)[O-])\C3=O)cc1"	0	""	""	1	1	5471975	""
"715683"	"715683"	"(5E)-2-[(4-Chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one"	"Clc1ccc(OCC2=NN3C(N2)S\C(=C\c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)cc1"	0	""	""	1	1	5471976	""
"715686"	"715686"	"[3-(4-Chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone"	"OC1(CC(=NN1C(=O)c2cccnc2)c3ccc(Cl)cc3)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	401997	""
"715688"	"715688"	"5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole"	"Fc1cc(c(Cl)cc1Cl)c2cc(n[nH]2)c3ccccc3"	0	""	""	1	1	401999	""
"715690"	"715690"	"3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole"	"Fc1cc(c(Cl)cc1Cl)c2cc(n[nH]2)c3ccc4OCOc4c3"	0	""	""	2	2	402001	""
"715691"	"715691"	"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)isoxazole"	"COc1ccc(cc1OC)c2cc(on2)c3cc(F)c(Cl)cc3Cl"	0	""	""	1	1	402002	""
"715693"	"715693"	"6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCc1nnc2sc(nn12)c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	402004	""
"715708"	"715708"	"(1R,2S)-1-(2-Chlorophenyl)-2-nitrobutan-1-ol"	"CC[C@@H]([C@H](O)c1ccccc1Cl)[N+](=O)[O-]"	0	""	""	1	1	402014	""
"715710"	"715710"	"3-Benzyl-6-iodo-2-[(3-nitropyridin-2-yl)sulfanyl]quinazolin-4(3h)-one"	"[O-][N+](=O)c1cccnc1SC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	402015	""
"715711"	"715711"	"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea"	"CCNC(=S)NNC(=O)CSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	2	2	5471977	""
"715713"	"715713"	"Ethyl 3-[(3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate"	"CCOC(=O)CCSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	2	2	402018	""
"715715"	"715715"	"Ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate"	"CCO\C=N\NC(=O)CSC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	1	1	9572421	""
"715716"	"715716"	"3-Benzyl-2-[(2,4-dinitrophenyl)sulfanyl]-6-iodoquinazolin-4(3h)-one"	"[O-][N+](=O)c1ccc(SC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4)c(c1)[N+](=O)[O-]"	0	""	""	2	2	402021	""
"715718"	"715718"	"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide"	"Brc1ccc(NC(=O)CSC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4)cc1"	0	""	""	1	1	402023	""
"715719"	"715719"	"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide"	"Ic1ccc2N=C(SCC(=O)Nc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402024	""
"715722"	"715722"	"STK559095"	"SC1=Nc2ccc(I)cc2C(=O)N1Cc3ccccc3"	0	""	""	1	1	1550629	""
"715724"	"715724"	"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea"	"Ic1ccc2N=C(SCC(=O)NNC(=S)Nc3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	5471979	""
"715726"	"715726"	"N-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide"	"Ic1ccc2N=C(SCC(=O)NNC=O)N(Cc3ccccc3)C(=O)c2c1"	0	""	""	1	1	402031	""
"715727"	"715727"	"N'-[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide"	"Ic1ccc2N=C(SCC(=O)NNC(=O)c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402032	""
"715729"	"715729"	"3-Benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one"	"Ic1ccc2N=C(SCC(=O)\C=C\c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	2	2	5471980	""
"715732"	"715732"	"3-Benzyl-6-iodo-2-[(1,3,4-oxadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one"	"Ic1ccc2N=C(SCc3ocnn3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402037	""
"715733"	"715733"	"3-Benzyl-6-iodo-2-[(1,3,4-thiadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one"	"Ic1ccc2N=C(SCc3nncs3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402038	""
"715735"	"715735"	"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide"	"Ic1ccc2N=C(SCC(=O)NN3C(=O)CCC3=O)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402040	""
"715737"	"715737"	"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide"	"Ic1ccc2N=C(SCC(=O)NN3C(SCC3=O)c4ccccc4)N(Cc5ccccc5)C(=O)c2c1"	0	""	""	1	1	402042	""
"715739"	"715739"	"4-Benzyl-7-iodo-2,4-dihydroimidazo[1,2-a]quinazolin-5(1h)-one"	"Ic1ccc2N3CCN=C3N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402044	""
"715740"	"715740"	"N-[(E)-Benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide"	"Ic1ccc2N=C(SCC(=O)N\N=C\c3ccccc3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	9572422	""
"715742"	"715742"	"3-Benzyl-2-{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3h)-one"	"Cc1cc(C)n(n1)C(=O)CSC2=Nc3ccc(I)cc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	402047	""
"715744"	"715744"	"3-Benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one"	"Ic1ccc2N=C(SCC3=NNC(=S)O3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	5471983	""
"715745"	"715745"	"4-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]tetrahydropyridazine-3,6-dione"	"Ic1ccc2N=C(SC3CC(=O)NNC3=O)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	402050	""
"715746"	"715746"	"3-Benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one"	"Ic1ccc2N=C(SCC3=NC(=O)CNN3)N(Cc4ccccc4)C(=O)c2c1"	0	""	""	1	1	135426744	""
"715749"	"715749"	"4-(1H-Benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline"	"N(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccccn4"	0	""	""	1	1	5471984	""
"715751"	"715751"	"{(e)-[4-(1h-Benzimidazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)C#N"	0	""	""	1	1	402055	""
"715753"	"715753"	"4-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	402057	""
"715755"	"715755"	"2-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]phenol"	"Oc1ccccc1\C=N\c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	402059	""
"715757"	"715757"	"2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]propanoic acid"	"CC(NN=Nc1ccc(cc1)c2nc3ccccc3[nH]2)C(=O)O"	0	""	""	1	1	402061	""
"715759"	"715759"	"N-(1E-pentenyl)-2Z,4Z-heptadienamide"	"CCC\C=C\NC(=O)\C=C/C=C\CC"	0	""	""	1	1	5471986	""
"715763"	"715763"	"N-[3-[Methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride"	"CN(CCCNC(=O)c1nn(c2ccccc2)c3c1ccc4ccccc34)CCCNC(=O)c5nn(c6ccccc6)c7c5ccc8ccccc78"	0	""	""	2	1	402064	""
"715764"	"715764"	"N-[2-[Methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride"	"CN(CCNC(=O)c1nn(c2ccccc2)c3c1ccc4ccccc34)CCNC(=O)c5nn(c6ccccc6)c7c5ccc8ccccc78"	0	""	""	1	1	402066	""
"715767"	"715767"	"N-[3-[3-(2H-Benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide"	"CN(CCCNC(=O)c1n[nH]c2c1ccc3ccccc23)CCCNC(=O)c4n[nH]c5c4ccc6ccccc56"	0	""	""	1	1	402072	""
"715768"	"715768"	"Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate"	"COC(=O)[C@@]12OC[C@@]34[C@@H](C[C@H]5C(=C(OC(=O)C)C(=O)C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)C)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"	0	""	""	2	1	11972632	""
"715775"	"715775"	"11H-Indolo[1,2-b]indazolium, 11-[[4-(dimethylamino)pheny..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2c5ccccc5[n+]4C)cc1"	0	""	""	2	2	5471987	""
"715776"	"715776"	"4-[(Z)-(7-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1ccc2\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n4c2c1"	0	""	""	2	2	5471989	""
"715777"	"715777"	"4-[(Z)-(5-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate"	"COc1cccc2c1\C(=C\c3ccc(cc3)N(C)C)\c4cc(c5ccccc5)[n+](C)n24"	0	""	""	2	2	5471991	""
"715778"	"715778"	"5-Methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate"	"COc1cccc2c1Cc3cc(c4ccccc4)[n+](C)n23"	0	""	""	1	1	402080	""
"715804"	"715804"	"(3E,6E)-3-[(4-Methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"COc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	1	1	5471994	""
"715805"	"715805"	"(3E,6E)-3-[(4-Fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Fc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	5471995	""
"715806"	"715806"	"(3E,6E)-3-[(4-Chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"Clc1ccc(\C=C/2\NC(=O)\C(=C/c3ccc(OCc4ccccc4)cn3)\NC2=O)cc1"	0	""	""	2	2	5471996	""
"715810"	"715810"	"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione"	"O=C1N\C(=C\c2cccs2)\C(=O)N/C/1=C/c3ccc(OCc4ccccc4)cn3"	0	""	""	2	2	5472000	""
"715811"	"715811"	"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione"	"O=C1N\C(=C\c2ccc(OCc3ccccc3)cn2)\C(=O)N/C/1=C/c4cccnc4"	0	""	""	2	2	5472001	""
"715812"	"715812"	"(3E,6E)-3-(2-Oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione"	"O=C1N\C(=C/2\C(=O)Nc3ccccc23)\C(=O)N/C/1=C/c4ccc(OCc5ccccc5)cn4"	0	""	""	1	1	5472002	""
"715841"	"715841"	"N-Benzyl-5,6-dihydro-2,3-dimethoxy-5,11-oxo-11H-indeno~[..."	"COc1cc2C(=O)N(Cc3ccccc3)C4=C(C(=O)c5ccccc45)c2cc1OC"	0	""	""	1	1	402104	""
"715843"	"715843"	"(Z)-4-(4-Bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one"	"Oc1ccccc1N\C(=C/C(=O)C(Cl)(Cl)Cl)\c2ccc(Br)cc2"	0	""	""	1	1	5472004	""
"715971"	"715971"	"(3s,5s)-4-(4-Methoxybenzyl)-3,5-diphenylhexahydro-1h-pyrrolizinium chloride"	"COc1ccc(C[N@+]23[C@H](CC[C@H]2c4ccccc4)CC[C@H]3c5ccccc5)cc1"	0	""	""	1	1	402110	""
"715972"	"715972"	"(3s,5s)-4-Benzyl-3,5-diphenylhexahydro-1h-pyrrolizinium chloride"	"C(c1ccccc1)[N@@+]23[C@@H](CC[C@H]2c4ccccc4)CC[C@H]3c5ccccc5"	0	""	""	1	1	402112	""
"715973"	"715973"	"(3s,5s)-4-Benzyl-3,5-bis(2-methoxyphenyl)hexahydro-1h-pyrrolizinium chloride"	"COc1ccccc1[C@@H]2CC[C@H]3CC[C@@H](c4ccccc4OC)[N@@+]23Cc5ccccc5"	0	""	""	1	1	402114	""
"715974"	"715974"	"4-Methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"CN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4C)cc2"	0	""	""	1	1	5472009	""
"715975"	"715975"	"4-Ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"CCN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4CC)cc2"	0	""	""	1	1	5472010	""
"715976"	"715976"	"4-Prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione"	"C=CCN1C(=S)NN=C1c2ccc(NN=Nc3ccc(cc3)C4=NNC(=S)N4CC=C)cc2"	0	""	""	1	1	5472011	""
"715988"	"715988"	"2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione"	"O=C1C(=C2C=C3N4C(=CC(C5CCCCC45N=C3c6ccccc26)c7ccccc7)c8ccccc8)C(=O)c9ccccc19"	0	""	""	1	1	402131	""
"715997"	"715997"	"3-Bromo-1-oxo-2-phenylthiochromen-4-one"	"BrC1=C(c2ccccc2)S(=O)c3ccccc3C1=O"	0	""	""	1	1	5472015	""
"716000"	"716000"	"N-[3,5-Bis(trifluoromethyl)phenyl]-N-dichlorophosphanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)N(C2c3ccccc3C=Cc4ccccc24)P(Cl)Cl"	0	""	""	1	1	402140	""
"716002"	"716002"	"1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione"	"COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2O[P@@](=S)(C)OC)N3C=C(C)C(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5"	0	""	""	1	1	9572423	""
"716011"	"716011"	"3,12,15,24-Tetramethoxy-7,8,19,20-tetrathiapentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaene-25,26,27,28-tetrol"	"COc1ccc2SSc3ccc(OC)c(c3O)c4c(O)c(SSc5ccc(OC)c(c5O)c1c2O)ccc4OC"	0	""	""	1	1	402151	""
"716015"	"716015"	"16-Diphenylphosphoryl-1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene"	"C[C@@]12ON([C@@](C)(c3ccccc13)c4ccccc24)P(=O)(c5ccccc5)c6ccccc6"	0	""	""	1	1	402155	""
"716030"	"716030"	"(5E,6Z)-5,6-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	""	""	1	1	54611940	""
"716031"	"716031"	""	"OCC(O)C(O)\C(=N\Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	NA	NA	1	1	NA	""
"716032"	"716032"	""	"OCC(O)C(O)\C(=N/Nc1ncnc2ccc(Br)cc12)\C=N\Nc3ncnc4ccc(Br)cc34"	0	NA	NA	1	1	NA	""
"716033"	"716033"	""	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2c(Br)cc(Br)cc12)\C=N\Nc3ncnc4c(Br)cc(Br)cc34"	0	NA	NA	1	1	NA	""
"716034"	"716034"	""	"OCC(O)C(O)C(O)\C(=N\Nc1ncnc2c(Br)cc(Br)cc12)\C=N\Nc3ncnc4c(Br)cc(Br)cc34"	0	NA	NA	1	1	NA	""
"716040"	"716040"	"6,8-Dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one"	"Oc1ccc(N=Nc2ccc(cc2)N3C(=S)Nc4c(Br)cc(Br)cc4C3=O)c5ncccc15"	0	""	""	1	1	135426750	""
"716044"	"716044"	"Neuro1_000400"	"Cc1ccc(cc1)c2nc(N\N=C\c3ccc(O)cc3)c4ccccc4n2"	0	""	""	1	1	135436246	""
"716049"	"716049"	"3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one"	"Clc1cccc(c1)N2C(NN3C(=O)c4ccccc4N=C23)c5c(Cl)cccc5Cl"	0	""	""	1	1	402185	""
"716056"	"716056"	"5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide"	"CCCCCCNC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O"	0	""	""	2	1	402189	""
"716058"	"716058"	"2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine"	"Clc1ncc(nc1c2ccccc2)C(Cl)(Cl)Cl"	0	""	""	1	1	402191	""
"716063"	"716063"	""	"COC(=O)[C@@H]1CC(C(C[N+](=O)[O-])c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)N1C(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"716089"	"716089"	"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine"	"Clc1ccc(cc1)\N=C\c2cc3cc(Br)ccc3nc2Cl"	0	""	""	1	1	402198	""
"716091"	"716091"	"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine"	"COc1cccc(c1)\N=C\c2cc3cc(Br)ccc3nc2Cl"	0	""	""	1	1	402200	""
"716092"	"716092"	"6-Bromo-2-chloro-3-[3-(4-chlorophenyl)isoxazol-5-yl]quinoline"	"Clc1ccc(cc1)c2cc(on2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402201	""
"716095"	"716095"	"6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline"	"COc1ccc(cc1)C2=NNC(C2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402204	""
"716109"	"716109"	"N-[4-[[Cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide"	"CCC(=O)Nc1ccc(NC(C#N)c2cccc(Oc3ccccc3)c2)cc1"	0	""	""	1	1	402218	""
"716111"	"716111"	"N-[4-[[2-(4-Methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide"	"CCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OC)cc2)cc1"	0	""	""	1	1	402220	""
"716122"	"716122"	"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide"	"Clc1c(Cl)c(Cl)c(c2nc3cc(ccc3[nH]2)C(=O)c4ccccc4)c(C(=O)Nc5occc5)c1Cl"	0	""	""	1	1	402231	""
"716125"	"716125"	"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	"Clc1ccc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4cc(ccc4[nH]3)C(=O)c5ccccc5)cc1"	0	""	""	1	1	9572426	""
"716132"	"716132"	"Phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone"	"Clc1c(Cl)c(Cl)c(c2nc3cc(ccc3[nH]2)C(=O)c4ccccc4)c(c1Cl)c5oc(nn5)c6ccccc6"	0	""	""	1	1	402241	""
"716137"	"716137"	"N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide"	"Clc1ccc(cc1)C(=O)Nc2oc(nn2)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5cc(ccc5[nH]4)C(=O)c6ccccc6"	0	""	""	1	1	135426753	""
"716142"	"716142"	"4-Acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide"	"COc1cc(NC(=O)C)ccc1C(=O)N\N=C\c2ccc(Cl)cc2Cl"	0	""	""	1	1	9572428	""
"716144"	"716144"	"4-Acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide"	"COc1cc(\C=N\NC(=O)c2ccc(NC(=O)C)cc2OC)ccc1O"	0	""	""	1	1	135436250	""
"716147"	"716147"	"4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide"	"COc1cc(ccc1O)C2C(Cl)C(=O)N2NC(=O)c3ccc(NC(=O)C)cc3OC"	0	""	""	1	1	402256	""
"716154"	"716154"	"4-Acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide"	"COc1cc(ccc1O)C2SCC(=O)N2NC(=O)c3ccc(NC(=O)C)cc3OC"	0	""	""	1	1	402263	""
"716156"	"716156"	"N-[(E)-Furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide"	"Oc1c(I)cc(I)cc1C(=O)N\N=C\c2occc2"	0	""	""	1	1	9572431	""
"716163"	"716163"	"(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"O=C1N(C(=N/C/1=C\c2occc2)c3ccccc3)c4cc5cc(Sc6ccccc6)ccc5[nH]4"	0	""	""	1	1	5472058	""
"716164"	"716164"	"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"COc1cc(\C=C\2/N=C(N(C2=O)c3cc4cc(Sc5ccccc5)ccc4[nH]3)c6ccccc6)ccc1O"	0	""	""	1	1	5472059	""
"716167"	"716167"	"(E)-1-Phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine"	"S(c1ccccc1)c2ccc3[nH]c(cc3c2)\N=C\c4ccccc4"	0	""	""	1	1	9572432	""
"716169"	"716169"	"(5Z)-5-Benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccccc4)\N=C3c5ccccc5"	0	""	""	1	1	5472064	""
"716171"	"716171"	"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccc(O)c(OC)c4)\N=C3c5ccccc5"	0	""	""	1	1	5472066	""
"716172"	"716172"	"(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4ccc(SC)cc4)\N=C3c5ccccc5"	0	""	""	2	2	5472067	""
"716173"	"716173"	"(5Z)-2-Phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one"	"CCCSc1ccc2[nH]c(cc2c1)N3C(=O)\C(=C\c4cc(OC)c(OC)c(OC)c4)\N=C3c5ccccc5"	0	""	""	2	1	5472068	""
"716175"	"716175"	"(E)-1-(Furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine"	"CCCSc1ccc2[nH]c(cc2c1)\N=C\c3occc3"	0	""	""	1	1	9572435	""
"716178"	"716178"	"N-[2,5-Dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide"	"COc1cc(c(OC)cc1NC(=O)C)S(=O)(=O)N\N=C\C=C\c2ccccc2"	0	""	""	1	1	9572438	""
"716181"	"716181"	"1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea"	"COc1ccc(\C=N\NC(=S)Nc2cc(C)ccc2OC)cc1"	0	""	""	1	1	9572440	""
"716182"	"716182"	"1-[(E)-Furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea"	"COc1ccc(C)cc1NC(=S)N\N=C\c2occc2"	0	""	""	1	1	9572441	""
"716183"	"716183"	"5-(2-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(C)cc1Nc2nnc(s2)c3ccccc3N"	0	""	""	1	1	402292	""
"716184"	"716184"	"5-(4-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine"	"COc1ccc(C)cc1Nc2nnc(s2)c3ccc(N)cc3"	0	""	""	1	1	402293	""
"716186"	"716186"	"4-Acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4"	0	""	""	1	1	5472079	""
"716193"	"716193"	"N-[4-[[(2,4-Dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NNS(=O)(=O)c2ccc(Cl)cc2Cl"	0	""	""	1	1	402302	""
"716194"	"716194"	"2-[(2-{[4-(Acetylamino)-2-ethoxyphenyl]carbonyl}hydrazino)carbonyl]phenyl acetate"	"CCOc1cc(NC(=O)C)ccc1C(=O)NNC(=O)c2ccccc2OC(=O)C"	0	""	""	2	2	402303	""
"716197"	"716197"	"4-Acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)N\N=C\c2occc2"	0	""	""	1	1	9559219	""
"716199"	"716199"	"4-Acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Oc3ccccc3)C2=O)c4ccccc4"	0	""	""	1	1	402308	""
"716202"	"716202"	"4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Oc3ccccc3)C2=O)c4ccc(O)c(OC)c4"	0	""	""	1	1	402311	""
"716203"	"716203"	"4-Acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(C(Cl)C2=O)c3ccccc3"	0	""	""	1	1	402312	""
"716206"	"716206"	"4-Acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide"	"CCOc1cc(NC(=O)C)ccc1C(=O)NN2C(SCC2=O)c3ccccc3"	0	""	""	1	1	402315	""
"716209"	"716209"	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one"	"ClC1C(N(C1=O)c2ccc(Cl)cc2)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402318	""
"716210"	"716210"	"2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)- 3-chlo..."	"Fc1ccc(cc1Cl)N2C(C(Cl)C2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	2	2	402319	""
"716211"	"716211"	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one"	"ClC1C(N(C1=O)c2c(Cl)cccc2Cl)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402320	""
"716212"	"716212"	"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one"	"COc1ccc(cc1)N2C(C(Cl)C2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402321	""
"716213"	"716213"	"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)N2C(SCC2=O)c3cc4cc(Br)ccc4nc3Cl"	0	""	""	1	1	402322	""
"716223"	"716223"	"2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-methoxyphenyl)amino]acetamide"	"COc1ccc(NC(C(=O)N)c2cc3cc(Br)ccc3nc2Cl)cc1"	0	""	""	1	1	402332	""
"716242"	"716242"	"4-[[(1R,5R,9R,10S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol"	"C[C@@H]1CCC2[C@@H](C)[C@@H](OC3CCC(O)CC3)OC4O[C@@]5(C)CCC1[C@@]24OO5"	0	""	""	1	1	54611790	""
"716244"	"716244"	"Kendomycin"	"C[C@H]1C[C@H](C)[C@]2(O)OC3=C(C)C(=O)C(=C([C@@H]4O[C@H](CC[C@H](C)\C=C(/C)\C1)[C@H](C)[C@H](O)[C@H]4C)C3=C2)O"	0	""	""	4	4	5472093	"183202735"
"716257"	"716257"	"[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)OC(=O)C)cc1OC"	0	""	""	1	1	5472094	""
"716258"	"716258"	"[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC3)OC(=O)C)C)=N/O)cc1OC"	0	""	""	1	1	9572442	""
"716259"	"716259"	"(8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"COc1ccc(\C=C\2/C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	5472096	""
"716260"	"716260"	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CCC5=C\C(=N\O)\CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1OC"	0	""	""	1	1	9572443	""
"716261"	"716261"	"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C4=O"	0	""	""	1	1	5472098	""
"716262"	"716262"	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O"	0	""	""	1	1	9572444	""
"716263"	"716263"	"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione"	"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C4=O"	0	""	""	1	1	5472100	""
"716264"	"716264"	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5ccc(cc5)[N+](=O)[O-])\[C@@H]2O"	0	""	""	1	1	5472101	""
"716265"	"716265"	"2-Methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3ccccc3)[N+](=O)[O-]"	0	""	""	1	1	5472102	""
"716268"	"716268"	"2-Methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3cccs3)[N+](=O)[O-]"	0	""	""	1	1	5472105	""
"716270"	"716270"	"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NOC(C3)c4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	402358	""
"716271"	"716271"	"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NOC(C3)c4ccccc4O)[N+](=O)[O-]"	0	""	""	1	1	402359	""
"716274"	"716274"	"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4)[N+](=O)[O-]"	0	""	""	1	1	402362	""
"716275"	"716275"	"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4O)[N+](=O)[O-]"	0	""	""	1	1	402363	""
"716276"	"716276"	"2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4cccs4)[N+](=O)[O-]"	0	""	""	1	1	402364	""
"716281"	"716281"	"N-[4-[2-(2,4-Dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"CCOc1cc(ccc1O)C2CC(=NN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4ccc(NS(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])cc4"	0	""	""	1	1	402369	""
"716286"	"716286"	"2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide"	"Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)C3=NN(C(C3)c4ccccc4)S(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	402374	""
"716290"	"716290"	"N-[4-[3-(3-Ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide"	"CCOc1cc(ccc1O)C2CC(=NN2S(=O)(=O)c3cc(ccc3C)[N+](=O)[O-])c4ccc(NS(=O)(=O)c5cc(ccc5C)[N+](=O)[O-])cc4"	0	""	""	1	1	402378	""
"716293"	"716293"	"N-[4-[2-[(Z)-Benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/c4ccccc4)n3"	0	""	""	1	1	9572445	""
"716297"	"716297"	"4-Chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/c4cccc(Oc5ccccc5)c4)n3"	0	""	""	1	1	9572447	""
"716298"	"716298"	"4-Chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(\N=C/C=C/c4ccccc4)n3"	0	""	""	1	1	9572448	""
"716299"	"716299"	"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5ccccc5"	0	""	""	1	1	402387	""
"716300"	"716300"	"4-Chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5ccccc5O"	0	""	""	1	1	402388	""
"716301"	"716301"	"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5cccs5"	0	""	""	1	1	402389	""
"716302"	"716302"	"4-Chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(C(Cl)C4=O)c5cccc(Oc6ccccc6)c5"	0	""	""	1	1	402390	""
"716304"	"716304"	"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SCC4=O)c5ccccc5"	0	""	""	1	1	402392	""
"716306"	"716306"	"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SCC4=O)c5cccs5"	0	""	""	1	1	402394	""
"716309"	"716309"	"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SC(C)C4=O)c5ccccc5"	0	""	""	1	1	402397	""
"716311"	"716311"	"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(SC(C)C4=O)c5cccs5"	0	""	""	1	1	402399	""
"716333"	"716333"	"LS-123810"	"Clc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	5472116	""
"716334"	"716334"	"(E)-1-(1H-Benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one"	"CSc1ccc(\C=C\C(=O)c2nc3ccccc3[nH]2)cc1"	0	""	""	1	1	5472117	""
"716336"	"716336"	"3-(1H-Benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole"	"CSc1ccc(cc1)c2onc(c2)c3nc4ccccc4[nH]3"	0	""	""	1	1	402405	""
"716339"	"716339"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide"	"Clc1ccc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	9572449	""
"716341"	"716341"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide"	"COc1cc(\C=N\NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)ccc1O"	0	""	""	1	1	135436257	""
"716343"	"716343"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide"	"ClC1C(N(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)C1=O)c5ccc(Cl)cc5"	0	""	""	1	1	402412	""
"716344"	"716344"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide"	"CN(C)c1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4"	0	""	""	1	1	402413	""
"716345"	"716345"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide"	"CSc1ccc(cc1)C2C(Cl)C(=O)N2NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4"	0	""	""	1	1	402414	""
"716347"	"716347"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide"	"Clc1ccc(\C=C\2/N=C(N(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4)C2=O)c6ccccc6)cc1"	0	""	""	1	1	5472124	""
"716348"	"716348"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide"	"CSc1ccc(\C=C\2/N=C(N(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c4nc5ccccc5[nH]4)C2=O)c6ccccc6)cc1"	0	""	""	1	1	5472125	""
"716351"	"716351"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide"	"Clc1cccc(Cl)c1NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3"	0	""	""	1	1	402420	""
"716353"	"716353"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide"	"CCC(=O)Nc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c3nc4ccccc4[nH]3)c1"	0	""	""	1	1	402422	""
"716354"	"716354"	"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide"	"NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1c2nc3ccccc3[nH]2"	0	""	""	1	1	402423	""
"716356"	"716356"	"(E)-2-(1H benzo[d]imidazol-2-yl)-3,4,5,6 tetrachloro-N'-..."	"Clc1c(Cl)c(Cl)c(c2nc3ccccc3[nH]2)c(C(=O)NNC(=O)\C=C\c4ccccc4)c1Cl"	0	""	""	1	1	5472127	""
"716408"	"716408"	"(2S)-2-[2,2-Bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one"	"Clc1ccc(cc1)C(C[C@@]2(NC(=O)CS2)c3ccc(Cl)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	402438	""
"716416"	"716416"	"3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide"	"NC(=S)N1N=C(CC1c2ccccc2)c3ccc4CCCc4c3"	0	""	""	1	1	5472130	""
"716417"	"716417"	"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	"o1cccc1\C=N\c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	402447	""
"716418"	"716418"	"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine"	"C(=N\c1ccc(cc1)c2nc3ccccc3s2)/c4cccs4"	0	""	""	1	1	402448	""
"716420"	"716420"	"EU-0001091"	"COc1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4s3)cc1OC"	0	""	""	1	1	402450	""
"716421"	"716421"	"4-[[4-(1,3-Benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=N\c2ccc(cc2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	402451	""
"716429"	"716429"	"{(e)-[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl}propanedinitrile"	"N#CC(N=Nc1ccc(cc1)c2nc3ccccc3s2)C#N"	0	""	""	1	1	402458	""
"716430"	"716430"	"N-[4-(1,3-Benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine"	"o1cccc1\C=N\c2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	402459	""
"716432"	"716432"	"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine"	"C(=N\c1ccc(cc1)c2nc3ccccc3[nH]2)/c4ccc[nH]4"	0	""	""	1	1	402461	""
"716490"	"716490"	"Methyl 2,3,8-trimethyl-5-oxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	"COC(=O)c1c(C)[nH]c2c1cc(O)c3nc(C)c(C)nc23"	0	""	""	1	1	135426755	""
"716492"	"716492"	"Methyl 2,3,8-trimethyl-5,6-dioxo-6,9-dihydro-5h-pyrrolo[2,3-f]quinoxaline-7-carboxylate"	"COC(=O)c1c(C)[nH]c2c3nc(C)c(C)nc3C(=O)C(=O)c12"	0	""	""	1	1	402467	""
"716495"	"716495"	"2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one"	"Clc1ccc(\C=C\2/N=C(Nc3ccccc3Cl)NC2=O)c(Cl)c1"	0	""	""	1	1	135436262	""
"716498"	"716498"	"2-[Phenylamino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one"	"Clc1cccc(Cl)c1\C=C\2/N=C(Nc3ccccc3)NC2=O"	0	""	""	1	1	135436265	""
"716503"	"716503"	"1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil"	"FC1=CN(COC(=O)CCNC(=O)C=C)C(=O)NC1=O"	0	""	""	1	1	402478	""
"716510"	"716510"	"Diethyl 2-(5-methoxycarbonyl-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate"	"CCOC(=O)C(=C1NC2(C(S1)C(=O)OC)c3ccccc3Nc4ccc(C)cc24)C(=O)OCC"	0	""	""	1	1	402484	""
"716518"	"716518"	"2-(9,10-Dimethoxy-10-thien-2-yl-9,10-dihydroanthracen-9-yl)thiophene"	"COC1(c2cccs2)c3ccccc3C(OC)(c4cccs4)c5ccccc15"	0	""	""	1	1	402492	""
"716520"	"716520"	"3,7-Dimethyloct-6-en-1-yl trifluoromethanesulfinate"	"CC(CCOS(=O)C(F)(F)F)CCC=C(C)C"	0	""	""	1	1	402494	""
"716522"	"716522"	"8-{[(3As)-2-methylhexahydro-1h-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]oxy}quinoline"	"CN1C[C@@H]2CCCN2P1Oc3cccc4cccnc34"	0	""	""	1	1	402496	""
"716524"	"716524"	"Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"CCCCCOC(=O)C1=Cc2cc(CCl)ccc2OC1=O"	0	""	""	2	2	402498	""
"716525"	"716525"	"Phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3ccccc3"	0	""	""	1	1	402499	""
"716526"	"716526"	"2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-..."	"CCCCCNC(=O)C1=Cc2cc(CCl)ccc2OC1=O"	0	""	""	2	2	402500	""
"716527"	"716527"	"6-(Chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Nc3ccccc3"	0	""	""	1	1	402501	""
"716528"	"716528"	"6-(Chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Nc3ccc4ccccc4c3"	0	""	""	1	1	402502	""
"716531"	"716531"	"6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccnc3"	0	""	""	1	1	402505	""
"716535"	"716535"	"Quinolin-8-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"ClCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc4cccnc34"	0	""	""	1	1	402508	""
"716536"	"716536"	"Phenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate"	"CC(=O)OCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3ccccc3"	0	""	""	1	1	402509	""
"716537"	"716537"	"1-Methylpiperidin-3-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate"	"CN1CCCC(C1)OC(=O)C2=Cc3cc(CCl)ccc3OC2=O"	0	""	""	1	1	402510	""
"716539"	"716539"	"5-Chloropyridin-3-yl 2-oxo-6-[(propanoyloxy)methyl]-2h-chromene-3-carboxylate"	"CCC(=O)OCc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cncc(Cl)c3"	0	""	""	1	1	402512	""
"716544"	"716544"	"(1'R,2'R,8'S,10'R)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one"	"O=C1C[C@@H](Sc2ccccc2)C3(OCCO3)[C@H]4ON5CCC[C@@H]5[C@@H]14"	0	""	""	1	1	402518	""
"716545"	"716545"	"Rogiolol"	"CC1(Cl)CCC2(CC1Br)C(=C)C[C@H](O)[C@H](Br)C2(C)C"	0	""	""	1	1	402519	""
"716559"	"716559"	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6ccncc6)\[C@@H]2O"	0	""	""	1	1	5472144	""
"716560"	"716560"	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"C[C@]12CC[C@H](O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccncc5)\C\4=N/O"	0	""	""	1	1	135436266	""
"716561"	"716561"	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccncc5)\C\4=N/O"	0	""	""	1	1	135436267	""
"716564"	"716564"	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CCC5=C\C(=N\O)\CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1"	0	""	""	1	1	9572454	""
"716566"	"716566"	"STL023578"	"CCOC(=O)c1c(N)sc2CCC(C)Cc12"	0	""	""	1	1	402542	""
"716567"	"716567"	"Ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate"	"CCOC(=O)Nc1sc2CCC(C)Cc2c1C#N"	0	""	""	1	1	402543	""
"716569"	"716569"	"STK001367"	"CCOC(=O)c1c2CC(C)CCc2sc1N\C(=N\CC=C)\S"	0	""	""	1	1	4554414	""
"716576"	"716576"	"LS-41011"	"CC1CCc2sc3N=C(S)N(C)C(=O)c3c2C1"	0	""	""	1	1	3076856	""
"716678"	"716678"	"SRQNSZYLZQIYMJ-UHFFFAOYSA-N"	"CCOC(=O)c1cccc(NN=Nc2cccc(c2)C(=O)OCC)c1"	0	""	""	1	1	402560	""
"716679"	"716679"	"Ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate"	"CCOC(=O)c1cccc(c1)N=Nc2nc[nH]c2\C=C\C(=O)OC"	0	""	""	1	1	135436270	""
"716688"	"716688"	"2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium"	"CC(NC(=O)C(Cc1ccc(OCC[N+](C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NCC(=O)N"	0	""	""	1	1	6712835	""
"716706"	"716706"	"2-Amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride"	"NC(Cc1c[nH]c(I)n1)C(=O)O"	0	""	""	1	1	402578	""
"716715"	"716715"	"Methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate"	"COC(=O)\C=C\c1ccccc1N=[S@@](=O)(C)c2ccc(C)cc2"	0	""	""	1	1	24202623	""
"716721"	"716721"	"(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide"	"CC1(C)[C@@H]2CC[C@@]1(C)C3(SS3=O)C24Cc5ccccc5C4"	0	""	""	1	1	402591	""
"716722"	"716722"	"5,7-Dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one"	"COc1c(CC=C(C)C)cc(cc1\C=C\C(C)(C)O)C2CC(=O)c3c(O)cc(O)cc3O2"	0	""	""	1	1	5472156	""
"716725"	"716725"	"11-Hydroxyvittatine"	"O[C@H]1CC2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3"	0	""	""	1	1	402595	""
"716726"	"716726"	"(1S,15S)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol"	"CO[C@H]1CC2N3CC(O)[C@@]2(C=C1)c4cc5OCOc5cc4C3O"	0	""	""	1	1	402596	""
"716728"	"716728"	"Pancracine"	"O[C@H]1C[C@@H]2N3CC(C2=CC1O)c4cc5OCOc5cc4C3"	0	""	""	1	1	402598	""
"716729"	"716729"	"[(8S,9S,10S,13S,14S,17S)-10-Hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate"	"CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(O)[C@H]3CC[C@]12C"	0	""	""	1	1	402599	""
"716730"	"716730"	"(8S,9S,10S,13S,14S)-4-Bromo-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione"	"C[C@]12CC[C@H]3[C@@H](CCC4=C(Br)C(=O)C=C[C@]34O)[C@@H]1CCC2=O"	0	""	""	1	1	402600	""
"716758"	"716758"	"10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol"	"COc1ccc(N\N=C\2/C3=C(CCC(C)(C)O3)C(=O)c4ccccc24)cc1"	0	""	""	1	1	402602	""
"716763"	"716763"	"2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol"	"Cc1ccc(N\N=C\2/C3=C(CCC(C)(C)O3)C(=O)c4ccccc24)cc1"	0	""	""	1	1	402607	""
"716765"	"716765"	"1-Allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea"	"[O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=S)NCC=C)\c2c1"	0	""	""	1	1	135426761	""
"716766"	"716766"	"STK423577"	"[O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=S)Nc3ccccc3)\c2c1"	0	""	""	1	1	3715893	""
"716768"	"716768"	"1-Allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)NCC=C)\c2c1"	0	""	""	1	1	135426763	""
"716769"	"716769"	"1-Cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)NC4CCCCC4)\c2c1"	0	""	""	1	1	135426764	""
"716770"	"716770"	"1-(4-Chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"[O-][N+](=O)c1ccc2N(CN3CCOCC3)C(=O)\C(=N/NC(=S)Nc4ccc(Cl)cc4)\c2c1"	0	""	""	1	1	135426765	""
"716771"	"716771"	"STK795136"	"Fc1ccc(NC(=S)N\N=C\2/C(=O)Nc3ccc(Br)cc23)cc1"	0	""	""	1	1	1984902	""
"716775"	"716775"	"6,9-Dichloro-4-methylcyclopenta[c]chromen-8-ol"	"Cc1oc2c(Cl)cc(O)c(Cl)c2c3cccc13"	0	""	""	1	1	402619	""
"716776"	"716776"	"17-[4-(Dimethylamino)phenyl]-16-methyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol"	"CN(C)c1ccc(cc1)n2c(C)c3cccc3c4cc(O)c5ccccc5c24"	0	""	""	1	1	402620	""
"716782"	"716782"	"Monastrol"	"CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2"	0	"KIF11"	""	4	1	2987927	""
"716790"	"716790"	"[(E,1S)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]4CCCC[C@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	54611948	""
"716791"	"716791"	"[(E,1R)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@@H]4CCCC[C@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	54611949	""
"716792"	"716792"	"[(E,1S)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate"	"O=C(O[C@H](\C=C\c1ccccc1)P2(=O)N(Cc3ccccc3)[C@H]4CCCC[C@@H]4N2Cc5ccccc5)c6ccccc6"	0	""	""	1	1	54611950	""
"716795"	"716795"	"N-[(4-Methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide"	"COc1ccc(NC(=S)NC(=O)c2ccc3Oc4ccccc4Sc3c2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	5472173	""
"716796"	"716796"	"N-[(4-Bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide"	"Brc1ccc(NC(=S)NC(=O)c2ccc3Oc4ccccc4Sc3c2)cc1"	0	""	""	1	1	5472174	""
"716803"	"716803"	"N-[(E)-Benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	"O=C(CSc1nnc(s1)c2ccccn2)N\N=C\c3ccccc3"	0	""	""	1	1	9572470	""
"716804"	"716804"	"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)CSc2nnc(s2)c3ccccn3)cc1"	0	""	""	1	1	9572471	""
"716807"	"716807"	"N-Benzyl-indole-3-carbinol"	"OCc1cn(Cc2ccccc2)c3ccccc13"	0	""	""	3	2	402633	""
"716812"	"716812"	"Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)CCc1c(C)c(\C=C/2\NC(=O)C(=C2CC)C)[nH]c1C(=O)OCC"	0	""	""	1	1	5472185	""
"716814"	"716814"	"(1S,7R,8R,10S)-8-Chloro-10-(4-nitrophenyl)sulfanyl-3,5-diphenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene"	"[O-][N+](=O)c1ccc(S[C@H]2[C@H]3C[C@@H](Cl)[C@@H]2c4c3c([nH]c4c5ccccc5)c6ccccc6)cc1"	0	""	""	1	1	402639	""
"716817"	"716817"	"2-[3-[1-[3-(Carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid"	"OC(=O)COc1c(Cl)cc(Cl)c(C(c2c(Cl)cc(Cl)c(OCC(=O)O)c2Cl)C(Cl)(Cl)Cl)c1Cl"	0	""	""	1	1	402642	""
"716823"	"716823"	"11-(4-Methoxyanilino)-4,5-dimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one"	"COc1ccc(NC2=NN3C(=Nc4sc(C)c(C)c4C3=O)S2)cc1"	0	""	""	1	1	402648	""
"716825"	"716825"	"13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one"	"Cc1cccc(NC2=NN3C(=Nc4sc5CCCCc5c4C3=O)S2)c1"	0	""	""	1	1	402650	""
"716830"	"716830"	"CBMicro_015774"	"CSC1=Nc2ccccc2C(=O)N1c3cccc(C)c3"	0	""	""	1	1	402655	""
"716845"	"716845"	"6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine"	"Nc1c2c(CCCc3ccccc23)nc4ccccc14"	0	""	""	1	1	402658	""
"716846"	"716846"	"6,7-Difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine"	"Nc1c2CCCc2nc3cc(F)c(F)cc13"	0	""	""	1	1	402659	""
"716847"	"716847"	"5,6-Dihydrobenzo[c]acridin-7-amine"	"Nc1c2CCc3ccccc3c2nc4ccccc14"	0	""	""	1	1	402660	""
"716853"	"716853"	"STL332113"	"C(Nc1c2CCCc2nc3ccccc13)c4ccccc4"	0	""	""	1	1	402667	""
"716857"	"716857"	"5H-Benzocyclohepten-5-one, 3,6,6,9-tetrabromo-6,7,8,9-te..."	"COc1c(Br)cc2C(=O)C(Br)(Br)CCC(Br)c2c1OC"	0	""	""	2	2	402671	""
"716860"	"716860"	"4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one"	"CCCN1C(=O)CCC2=C1CCc3c(Cl)c(Cl)ccc23"	0	""	""	1	1	402674	""
"716874"	"716874"	"AN-975/13809008"	"ClC(=C)CN1c2ccccc2C=Cc3ccccc13"	0	""	""	1	1	402688	""
"716878"	"716878"	"(4R)-4-(4-Chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	"Fc1cc(C2=C[C@@H](NC(=S)N2)c3ccc(Cl)cc3)c(Cl)cc1Cl"	0	""	""	1	1	5472190	""
"716880"	"716880"	"(4R)-4-(1,3-Benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione"	"Fc1cc(C2=C[C@@H](NC(=S)N2)c3ccc4OCOc4c3)c(Cl)cc1Cl"	0	""	""	1	1	5472192	""
"716881"	"716881"	"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"Fc1cc(C2=C[C@@H](N3C(=N2)S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)c6ccc(Cl)cc6)c(Cl)cc1Cl"	0	""	""	1	1	5472193	""
"716882"	"716882"	"(2Z,5R)-7-(2,4-Dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"COc1ccc(cc1)[C@H]2C=C(N=C3S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C(=O)N23)c6cc(F)c(Cl)cc6Cl"	0	""	""	1	1	5472194	""
"716883"	"716883"	"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"Fc1cc(C2=C[C@@H](N3C(=N2)S\C(=C/c4oc(cc4)c5ccc(Cl)cc5Cl)\C3=O)c6ccc7OCOc7c6)c(Cl)cc1Cl"	0	""	""	1	1	5472195	""
"716884"	"716884"	"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"[O-][N+](=O)c1oc(\C=C\2/SC3=NC(=C[C@@H](N3C2=O)c4ccc(Cl)cc4)c5cc(F)c(Cl)cc5Cl)cc1"	0	""	""	1	1	5472196	""
"716885"	"716885"	"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one"	"[O-][N+](=O)c1oc(\C=C\2/SC3=NC(=C[C@@H](N3C2=O)c4ccc5OCOc5c4)c6cc(F)c(Cl)cc6Cl)cc1"	0	""	""	1	1	5472197	""
"716887"	"716887"	"4-Amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione"	"CC(C)(C)c1cc(OCc2nnc(S)n2N)c(Cl)cc1OCc3nnc(S)n3N"	0	""	""	1	1	5472199	""
"716893"	"716893"	"3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nnc3sc(nn23)c4ccc(Cl)cc4)c(Cl)cc1OCc5nnc6sc(nn56)c7ccc(Cl)cc7"	0	""	""	1	1	402705	""
"716894"	"716894"	"6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nnc3sc(Cc4ccccc4)nn23)c(Cl)cc1OCc5nnc6sc(Cc7ccccc7)nn56"	0	""	""	1	1	402706	""
"716899"	"716899"	"3-[[2,5-Dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione"	"Sc1nn2c(COc3cc(Cl)c(OCc4nnc5sc(S)nn45)cc3Cl)nnc2s1"	0	""	""	1	1	5472203	""
"716900"	"716900"	"4-Amino-3-[[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]methyl]-1H-1,2,4-triazole-5-thione"	"Nn1c(S)nnc1COc2cccc(OCc3nnc(S)n3N)c2"	0	""	""	1	1	5472204	""
"716902"	"716902"	"3-[[3-[(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione"	"Sc1nn2c(COc3cccc(OCc4nnc5sc(S)nn45)c3)nnc2s1"	0	""	""	1	1	5472205	""
"716906"	"716906"	"6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCCc1nnc2sc(COc3ccc(OCc4nn5c(CCC)nnc5s4)c(Cl)c3)nn12"	0	""	""	1	1	402718	""
"716907"	"716907"	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Clc1cc(OCc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)cc1OCc5nn6c(Cc7ccccc7)nnc6s5"	0	""	""	1	1	402719	""
"716908"	"716908"	"6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CCCc1nnc2sc(COc3cc(Cl)c(OCc4nn5c(CCC)nnc5s4)cc3Cl)nn12"	0	""	""	1	1	402720	""
"716909"	"716909"	"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"CC(C)(C)c1cc(OCc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)cc1OCc5nn6c(Cc7ccccc7)nnc6s5"	0	""	""	1	1	402721	""
"716914"	"716914"	"Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate"	"COC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)c3oc(cc3)c4ccc(Cl)cc4Cl"	0	""	""	1	1	402726	""
"716915"	"716915"	"Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate"	"CCC(C)C(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C2CCCN2C(=O)c3oc(cc3)c4ccc(Cl)cc4Cl)C(=O)OC"	0	""	""	1	1	402727	""
"716937"	"716937"	"4-Chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide"	"COc1cc(ccc1Cl)S(=O)(=O)Nc2nc(cs2)c3ccc(cc3)N4C(SC(C)C4=O)c5ccccc5O"	0	""	""	1	1	402743	""
"716942"	"716942"	"N-[4-[2-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide"	"COc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(=O)\C(=C\c5ccccc5)\N=C4c6ccccc6"	0	""	""	1	1	5472208	""
"716945"	"716945"	"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide"	"COc1ccc(cc1Cl)S(=O)(=O)Nc2ccc(cc2)c3csc(n3)N4C(=O)\C(=C\c5cccs5)\N=C4c6ccccc6"	0	""	""	1	1	5472211	""
"716951"	"716951"	"2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole"	"[O-][N+](=O)c1ccc(NNN=Nc2ccc(cc2)c3nc4ccccc4[nH]3)c(c1)[N+](=O)[O-]"	0	""	""	1	1	6712853	""
"716953"	"716953"	"5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one"	"O=C1C(NC(=S)N1c2ccccc2)N=Nc3ccc(cc3)c4oc5ccccc5n4"	0	""	""	1	1	5472216	""
"716954"	"716954"	"5-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one"	"O=C1C(NC(=S)N1c2ccccc2)N=Nc3ccc(cc3)c4nc5ccccc5[nH]4"	0	""	""	1	1	5472217	""
"716966"	"716966"	"[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate"	"CC(=O)OCC1OC(C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)N2N=C(Cc3ccccc3)C(=S)NC2=S"	0	""	""	1	1	5472225	""
"716970"	"716970"	"1H-Indole-2-carboxamide, N-[4-amino-1-(2-chloroethyl)-2-..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc3cc(N)c4ccccc4c3CCCl"	0	""	""	2	2	9825161	"413577169"
"716981"	"716981"	"4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione"	"O=C1SSC2=C1NC3=C(SSC3=O)S2"	0	""	""	1	1	402774	""
"716982"	"716982"	"7-Benzyl-3,4,10,11-tetrathia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6)-diene-5,9-dithione"	"S=C1SSc2c3SSC(=S)c3n(Cc4ccccc4)c12"	0	""	""	1	1	402775	""
"716983"	"716983"	"N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide"	"ClC1=C(N(CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)C4=C(Cl)SSC4=O)C(=O)SS1"	0	""	""	1	1	402776	""
"716984"	"716984"	"C6HCl2NO2S4"	"ClC1=C(NC2=C(Cl)SSC2=O)C(=O)SS1"	0	""	""	2	2	402777	""
"716993"	"716993"	"4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, ace..."	"Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O"	0	NA	NA	3	2	NA	""
"716997"	"716997"	"Mappain"	"CC(=CCC\C(=C\Cc1cc(\C=C\c2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O)\C)C"	0	""	""	1	1	5472227	""
"717038"	"717038"	"2-[5-Benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide"	"NC(=O)C(N1OC2C(C1c3cccc(Oc4ccc(Cl)cc4)c3)C(=O)N(Cc5ccccc5)C2=O)c6ccccc6"	0	""	""	1	1	402787	""
"717040"	"717040"	"2-[5-(4-Bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide"	"Cc1ccc2nc3ccccc3c(C4C5C(ON4C(C(=O)N)c6ccccc6)C(=O)N(C5=O)c7ccc(Br)cc7Cl)c2c1"	0	""	""	1	1	402789	""
"717042"	"717042"	"2-[4-[[5-(4-Methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide"	"COc1ccc(cc1)N2C(=O)C3ON(Cc4ccc(CC(=O)N)cc4)C(C3C2=O)c5c6ccccc6c(C)c7ccccc57"	0	""	""	1	1	402791	""
"717061"	"717061"	"2-{[(4-Hydroxyphenyl)amino]methyl}benzene-1,4-diol"	"Oc1ccc(NCc2cc(O)ccc2O)cc1"	0	""	""	1	1	402810	""
"717065"	"717065"	"Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C=C\c4ccccc4)cc3"	0	""	""	1	1	54681586	""
"717066"	"717066"	"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C(=C\c4ccccc4)\c5ccccc5)cc3"	0	""	""	1	1	54681587	""
"717067"	"717067"	"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate"	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C(=C\c4ccc(Cl)cc4)\c5ccc(Cl)cc5)cc3"	0	""	""	1	1	54681588	""
"717069"	"717069"	"2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester"	"CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34"	0	""	""	1	1	402818	""
"717072"	"717072"	"Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate"	"COC(=O)c1sc2\C(=N\C(C)(C)C)\S\C(=N/C(C)(C)C)\c2c1C(=O)OC"	0	""	""	1	1	402821	""
"717073"	"717073"	"Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate"	"COC(=O)C1=C(SC2(S1)C3=C(SC(=C2C(=O)OC)C(=O)OC)\C(=N/C(C)(C)C)\SS3)C(=O)OC"	0	""	""	1	1	402822	""
"717079"	"717079"	"2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone"	"COP(=O)(CC(=O)C1OC(OCc2ccccc2)C(OCc3ccccc3)C(OCc4ccccc4)C1OCc5ccccc5)OC"	0	""	""	1	1	402827	""
"717089"	"717089"	"(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione"	"CC(=O)O[C@@H]1C[C@]2(C(=O)c3ccccc3)C(=O)C(=O)S[C@]12c4ccccc4"	0	""	""	1	1	402836	""
"717090"	"717090"	"(1r,5s)-1,7-Diphenyl-5-(phenylcarbonyl)-2-oxabicyclo[3.2.0]hept-6-ene-3,4-dione"	"O=C(c1ccccc1)[C@]23C=C(c4ccccc4)[C@]2(OC(=O)C3=O)c5ccccc5"	0	""	""	1	1	402837	""
"717101"	"717101"	"6-Amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one"	"NC1=Cc2c(nnn2C3OC(COCc4ccccc4)C(OCc5ccccc5)C3OCc6ccccc6)C(=O)N1"	0	""	""	1	1	135426767	""
"717104"	"717104"	"Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-"	"CN(C)CCNC(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	135436277	""
"717110"	"717110"	"1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one"	"CN1CCN(CC1)c2cc3Nc4cc(O)cc(O)c4C(=O)c3cc2N"	0	""	""	1	1	5472237	""
"717120"	"717120"	"Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate"	"CCOC(=O)c1ccc(cc1C)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	1	1	45027800	""
"717123"	"717123"	"6-{[2-(Dimethylamino)ethyl]amino}-7h-indeno[2,1-c]quinolin-7-one"	"CN(C)CCNc1nc2ccccc2c3c4ccccc4C(=O)c13"	0	""	""	2	2	402859	""
"717147"	"717147"	"GNMLNGDFMLEYNR-UHFFFAOYSA-N"	"Nc1ccc(cc1C#N)c2nc3cc(F)ccc3s2"	0	""	""	2	2	402862	""
"717148"	"717148"	"UZVIEHHFXNOPBW-UHFFFAOYSA-N"	"Nc1ccc(cc1CO)c2nc3cc(F)ccc3s2"	0	""	""	2	2	402863	""
"717154"	"717154"	"O-(8-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate"	"COC1OC2COC(OC2C(O)C1OC(=S)c3ccccc3)c4ccccc4"	0	""	""	1	1	402865	""
"717155"	"717155"	"O-(7-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate"	"COC1OC2COC(OC2C(OC(=S)c3ccccc3)C1O)c4ccccc4"	0	""	""	1	1	402866	""
"717164"	"717164"	"(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid"	"Nc1nc(N)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccnc2n1"	0	""	""	2	2	402874	""
"717167"	"717167"	"7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine"	"COc1ccc(OC)c(c1)C2CCCc3c2cnc4nc(N)nc(N)c34"	0	""	""	2	2	402877	""
"717189"	"717189"	"(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one"	"COc1ccc(cc1)N2CN3OC(=O)N(c4ccc(OC)cc4)[C@]3(C2)c5ccccc5"	0	""	""	1	1	402882	""
"717191"	"717191"	"4,5,13,14-Tetramethoxy-1-phenyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene"	"COc1cc2CN3Cc4cc(OC)c(OC)cc4C(C3)(c5ccccc5)c2cc1OC"	0	""	""	1	1	402884	""
"717200"	"717200"	"(11E)-11-(4-Chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one"	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCl)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	5472243	""
"717201"	"717201"	"(3Z)-3-[(2-Chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"Cc1cc2[nH]c(Cl)c(\C=C\3/C(=O)Nc4ccccc34)c2cc1O"	0	""	""	2	2	5472244	""
"717202"	"717202"	"(3Z)-3-[(2-Chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"Oc1ccc2[nH]c(Cl)c(\C=C\3/C(=O)Nc4ccccc34)c2c1"	0	""	""	2	2	5472245	""
"717205"	"717205"	"NH125"	"CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C"	0	""	""	2	2	10436839	""
"717208"	"717208"	"3-(4-Chlorophenyl)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(I)c1O)C2SCC(=O)N2c3ccc(Cl)cc3"	0	""	""	2	2	402891	""
"717210"	"717210"	"1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one"	"COc1cc(cc(I)c1O)C2C(Cl)C(=O)N2c3ccc(Br)cc3"	0	""	""	1	1	402893	""
"717218"	"717218"	"4-Chloro-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol"	"Oc1ccc(Cl)cc1C2=Nn3c(COc4ccc5CCCCc5c4)nnc3SC2"	0	""	""	1	1	402901	""
"717224"	"717224"	"Isostrychnopentamine A trihydrochloride"	"CN1CCc2c([nH]c3ccccc23)[C@@H]1C[C@H]4C[C@@H]5N(CCc6c5[nH]c7c([C@@H]8CCCN8C)c(O)ccc67)C[C@@H]4C=C"	0	""	""	2	1	54611556	""
"717227"	"717227"	"2-[(E)-2-(4,4-Dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole"	"CC1(C)COC(=N1)\C=C\C2=NC(C)(C)CO2"	0	""	""	1	1	5472250	""
"717228"	"717228"	"Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate"	"CCCCN1CN2C(=O)C(C(=O)OCC)C(=O)c3sc4nc(SC)nc1c4c23"	0	""	""	1	1	402906	""
"717230"	"717230"	"N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine"	"COc1nc(Cl)nc(N[C@H](C)c2c3ccccc3cc4ccccc24)n1"	0	""	""	1	1	402908	""
"717234"	"717234"	"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one"	"Oc1ccccc1\C=N\N2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4"	0	""	""	1	1	135436278	""
"717241"	"717241"	"(3'Ar,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]"	"CC1(C)N=C(SC12S[C@@H]3CCCC[C@H]3S2)c4ccccc4"	0	""	""	1	1	402919	""
"717356"	"717356"	"5-[2-(2,5-dimethoxyphenyl)acetyl]-2-hydroxyphenyl]-~N-[2..."	"COc1ccc(OC)c(CC(=O)c2ccc(O)c(c2)C(=O)NCCc3ccc(F)cc3)c1"	0	""	""	1	1	402948	""
"717365"	"717365"	"STL253119"	"CN1N(C(=O)C(=C1C)\N=C\C=C\c2ccccc2)c3ccccc3"	0	""	""	1	1	1550644	""
"717371"	"717371"	"3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one"	"CN1N(C(=O)C(=C1C)N2C(c3cccc(Oc4ccccc4)c3)S(=O)(=O)CC2=O)c5ccccc5"	0	""	""	1	1	402963	""
"717447"	"717447"	"ChemDiv1_017738"	"Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)Oc4ccccc4)cc1C"	0	""	""	1	1	402974	""
"717468"	"717468"	"STK673166"	"COc1ccc(cc1)c2cn3c4ccc(C)cc4sc3n2"	0	""	""	1	1	402995	""
"717477"	"717477"	"STK755769"	"C(Sc1nnc(c2ccccc2)n1c3ccccc3)c4c[nH]c5ccccc45"	0	""	""	1	1	403004	""
"717478"	"717478"	"STK673269"	"CCCCCCCC(=O)N\N=C\c1ccc(Sc2nccn2C)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572482	""
"717481"	"717481"	"STK755838"	"Cc1sc2ncnc(NCCc3ccccc3)c2c1C"	0	""	""	1	1	403008	""
"717482"	"717482"	"CBMicro_023391"	"COc1cccc(Nc2nc(C)c(c(Nc3cccc(OC)c3)n2)[N+](=O)[O-])c1"	0	""	""	1	1	403009	""
"717486"	"717486"	"STK093861"	"CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(OC)cc14"	0	""	""	1	1	403013	""
"717487"	"717487"	"STK755898"	"Cc1nc(C)c(CC=C)c(N\N=C\C=C\c2ccccc2)n1"	0	""	""	1	1	1550654	""
"717489"	"717489"	"STK755911"	"FC(F)(F)C1=NN(C(=O)C1\C=N\CCc2c[nH]c3ccccc23)c4nc5ccccc5s4"	0	""	""	1	1	403016	""
"717492"	"717492"	"STK755939"	"CCOc1cc(ccc1O)c2nc3ccccn3c2\N=C\c4cc(Br)ccc4O"	0	""	""	1	1	135436282	""
"717499"	"717499"	"STK711315"	"O=C(CSc1ncccn1)N\N=C\c2ccccc2OCc3ccccc3"	0	""	""	1	1	6877444	""
"717514"	"717514"	"STK673452"	"Cn1ccnc1Sc2ccc(\C=N\NC(=O)c3ccccc3O)cc2[N+](=O)[O-]"	0	""	""	1	1	9552577	""
"717517"	"717517"	"STK756244"	"CSc1c(CC(=O)Nc2ccc(Cl)cc2)n(Cc3ccccc3)c4ccccc14"	0	""	""	1	1	403045	""
"717519"	"717519"	"STK756286"	"CC(Sc1nc(C)cc(C)n1)C(=O)N\N=C\c2ccc(OCc3ccccc3)cc2"	0	""	""	1	1	9572485	""
"717530"	"717530"	"STK365136"	"Clc1ccc(Cn2cc(\C=N\n3cnnc3)c4ccccc24)cc1"	0	""	""	1	1	6858424	""
"717532"	"717532"	"STK756417"	"C=CCc1ccccc1OCC(=O)N\N=C\c2c[nH]c3ccccc23"	0	""	""	2	2	135436287	""
"717535"	"717535"	"ChemDiv1_017832"	"Cc1ccc(C)c(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc4ccccc4)c1"	0	""	""	1	1	403063	""
"717538"	"717538"	"STK756494"	"CC(C)c1ccc(C)cc1OCC(=O)N\N=C\c2c[nH]c3ccc(Br)cc23"	0	""	""	1	1	135436288	""
"717539"	"717539"	"ChemDiv1_019916"	"CC1(C)CC(=O)C2=C(C1)c3c(NC2c4cn(Cc5ccc(Cl)cc5)c6ccccc46)ccc7ccccc37"	0	""	""	1	1	403068	""
"717543"	"717543"	"Cambridge id 5657689"	"Nc1c(C#N)c(nn1c2ccccc2)\C(=C\c3cn(Cc4ccccc4)c5ccccc35)\C#N"	0	""	""	1	1	5286855	""
"717553"	"717553"	"ChemDivAM_000505"	"Fc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c5ccc6OCOc6c5)c1F"	0	""	""	1	1	403081	""
"717556"	"717556"	"STK756791"	"Fc1c(F)c(c(F)c(F)c1N\N=C\c2cn(Cc3ccccc3)c4ccccc24)C(F)(F)F"	0	""	""	1	1	5341790	""
"717557"	"717557"	"STK231324"	"CCOC(=O)c1ccc2nc(NC(=O)COC(=O)CSc3nc(C)cc(C)n3)sc2c1"	0	""	""	1	1	403085	""
"717560"	"717560"	"TCMDC-124122"	"CCOC(=O)c1c(CN2CCCC2)n(c3ccccc3)c4cc(Br)c(O)cc14"	0	""	""	1	1	403088	""
"717561"	"717561"	"C28H28BrN3O3"	"CCOC(=O)c1c(CN2CCN(CC2)c3ccccc3)n(c4ccccc4)c5cc(Br)c(O)cc15"	0	""	""	1	1	403089	""
"717563"	"717563"	"STK673848"	"Cn1c2ccccc2n3c(N=O)c(nc13)c4ccccc4"	0	""	""	1	1	403091	""
"717566"	"717566"	"STK673880"	"Cn1ccnc1Sc2ccc(\C=N\c3ccc4nc(SCC(=O)NC5CCCCC5)sc4c3)cc2[N+](=O)[O-]"	0	""	""	1	1	403094	""
"717569"	"717569"	"3-({[5-(2,4-Dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-indole"	"Cn1c(SCc2c[nH]c3ccccc23)nnc1c4ccc(Cl)cc4Cl"	0	""	""	1	1	403097	""
"717571"	"717571"	"ChemDiv1_011311"	"CCOc1ccc(cc1)C2N(CCc3c2[nH]c4ccccc34)C(=O)c5cccs5"	0	""	""	1	1	403099	""
"717572"	"717572"	"1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone"	"O=C(C=P(c1ccccc1)(c2ccccc2)c3ccccc3)c4ccc(cc4)c5cccs5"	0	""	""	1	1	403100	""
"717694"	"717694"	"Oligomycin A"	"CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](CC(C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	5472285	"579135"
"717695"	"717695"	"Oligomycin B"	"CC[C@H]1CC[C@H]2O[C@]3(O[C@H](CC(C)O)[C@H](C)CC3=O)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	5472286	"11050945"
"717696"	"717696"	"Oligomycin C"	"CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](CC(C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C"	0	""	""	2	2	5472287	"11052725"
"717703"	"717703"	"2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole"	"Clc1ccc(cc1)C2C3CCc4ccccc4C3=NN2C(=O)Nc5ccc(Cl)c(Cl)c5"	0	""	""	1	1	403116	""
"717705"	"717705"	"Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoate"	"COC(=O)C[C@H](CCSC)NC(=O)C[C@H](CCSC)NC(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C"	0	""	""	1	1	403118	""
"717707"	"717707"	"(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione"	"O=C1C[C@H](COCc2ccccc2)NC(=O)C[C@H](COCc3ccccc3)NC(=O)C[C@H](COCc4ccccc4)N1"	0	""	""	1	1	403120	""
"717708"	"717708"	"Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate"	"COC(=O)C[C@H](COCc1ccccc1)NC(=O)C[C@H](COCc2ccccc2)NC(=O)C[C@H](COCc3ccccc3)NC(=O)OC(C)(C)C"	0	""	""	1	1	403121	""
"717710"	"717710"	"Benzyl 3-[(2S,6S,10S)-4,8,12-trioxo-6,10-bis(3-oxo-3-phenylmethoxypropyl)-1,5,9-triazacyclododec-2-yl]propanoate"	"O=C(CC[C@H]1CC(=O)N[C@@H](CCC(=O)OCc2ccccc2)CC(=O)N[C@@H](CCC(=O)OCc3ccccc3)CC(=O)N1)OCc4ccccc4"	0	""	""	1	1	403123	""
"717766"	"717766"	"{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}acetic acid"	"OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	403129	""
"717768"	"717768"	"3-{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}propanamide"	"NC(=O)CCSC(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	403131	""
"717800"	"717800"	"(3E,5E,9E)-6,10,12-Trimethyltrideca-3,5,9-trien-2-one"	"CC(C)C\C(=C\CC\C(=C\C=C\C(=O)C)\C)\C"	0	""	""	1	1	5472294	""
"717810"	"717810"	"Isoindigotin"	"O=C1Nc2ccccc2/C/1=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	164610	""
"717812"	"717812"	"2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one"	"O=C1N(c2ccccc2)c3ccccc3/C/1=C\4/Nc5ccccc5C4=O"	0	""	""	1	1	403161	""
"717814"	"717814"	"A05-A4B1-I"	"Fc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403163	""
"717815"	"717815"	"A05-A5B1-I"	"Clc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	2	2	403164	""
"717816"	"717816"	"5'-Iodoindirubin"	"Ic1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	2	2	124286	""
"717817"	"717817"	"UNM-0000305770"	"Brc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403165	""
"717818"	"717818"	"A05-A1B2-I"	"Brc1ccc2N\C(=C\3/C(=O)Nc4ccccc34)\C(=O)c2c1"	0	""	""	1	1	403166	""
"717819"	"717819"	"5-Bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one"	"Brc1ccc2N\C(=C\3/C(=O)Nc4ccc(Br)cc34)\C(=O)c2c1"	0	""	""	1	1	403167	""
"717822"	"717822"	"2-Hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide"	"CNS(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403169	""
"717823"	"717823"	"Indirubin derivative, 8"	"CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403170	""
"717824"	"717824"	"Indirubin derivative, 33"	"OCCNS(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403171	""
"717825"	"717825"	"2-Hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide"	"OCCN(CCO)S(=O)(=O)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403172	""
"717826"	"717826"	"2-(5-Ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one"	"CCc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403173	""
"717827"	"717827"	"2-(2-Hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one"	"CC(C)c1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403174	""
"717828"	"717828"	"2-[2-Hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid"	"OC(=O)Cc1ccc2NC(=O)\C(=C\3/Nc4ccccc4C3=O)\c2c1"	0	""	""	1	1	403175	""
"717829"	"717829"	"indirubin-3'-oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	3707	""
"717830"	"717830"	"K00192"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(I)cc23)/Nc4ccccc14"	0	""	""	2	2	403176	""
"717831"	"717831"	"5-Ethyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol"	"CCc1ccc2NC(=O)\C(=C/3\C(\c4c(N3)cccc4)=N/O)\c2c1"	0	""	""	1	1	403177	""
"717832"	"717832"	"3-(3-Nitroso-1H-indol-2-yl)-5-propan-2-yl-1H-indol-2-ol"	"CC(C)c1ccc2NC(=O)\C(=C/3\C(\c4c(N3)cccc4)=N/O)\c2c1"	0	""	""	1	1	403178	""
"717833"	"717833"	"3-[(3Z)-3-(2-Hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol"	"OCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	135436293	""
"717834"	"717834"	"3-[(3Z)-3-(3-Hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol"	"OCCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	135436294	""
"717835"	"717835"	"E-564"	"OCCOCCO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	135436295	""
"717836"	"717836"	"2H-Indol-2-one, 1,3-dihydro-3-[1,3-dihydro- 3-[(2-hydrox..."	"CC(C)(O)CO\N=C\1/C(=C\2/C(=O)Nc3ccccc23)/Nc4ccccc14"	0	""	""	2	2	135436296	""
"717837"	"717837"	"Ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate"	"CCOC(=O)O\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436297	""
"717838"	"717838"	"Ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate"	"CCOC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436298	""
"717839"	"717839"	"Sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid"	"OC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436299	""
"717840"	"717840"	"Sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid"	"OC(=O)CCO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436300	""
"717841"	"717841"	"[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate"	"CN(C)C(=O)O\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436302	""
"717842"	"717842"	"Acetamide, 2-[[[2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)..."	"NC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	2	2	135436303	""
"717843"	"717843"	"2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide"	"CN(C)C(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436304	""
"717845"	"717845"	"Wogonin"	"COc1c(O)cc(O)c2C(=O)C=C(Oc12)c3ccccc3"	0	""	""	1	1	5281703	""
"717847"	"717847"	"2-N-(2-Aminoethyl)-7-N-benzyl-6-chloro-4-pyrrolidin-1-ylpteridine-2,7-diamine"	"NCCNc1nc(N2CCCC2)c3nc(Cl)c(NCc4ccccc4)nc3n1"	0	""	""	2	1	403193	""
"717851"	"717851"	"7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazi..."	"Cc1nc2c(nc(nc2nc1NCc3ccccc3)N4CCNCC4)N5CCCC5"	0	""	""	3	1	403197	""
"717855"	"717855"	"2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}acetamide"	"NC(=O)CN1CCN(CC1)c2nc(N3CCCC3)c4nc(Cl)c(NCc5ccccc5)nc4n2"	0	""	""	1	1	403200	""
"717858"	"717858"	"2-[[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid"	"OC(=O)CNC(=O)CO\N=C/1\C(=C/2\C(=O)Nc3ccccc23)\Nc4ccccc14"	0	""	""	1	1	135436305	""
"717859"	"717859"	"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol"	"OCC1OC(OCCO\N=C/2\C(=C/3\C(=O)Nc4ccccc34)\Nc5ccccc25)C(O)C(O)C1O"	0	""	""	2	2	135436306	""
"717860"	"717860"	"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol"	"OC1COC(OCCO\N=C/2\C(=C/3\C(=O)Nc4ccccc34)\Nc5ccccc25)C(O)C1O"	0	""	""	1	1	135436307	""
"717861"	"717861"	"3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione"	"OC1=C(CC(=O)C1=O)\C=C\c2occc2"	0	""	""	1	1	5472316	""
"717874"	"717874"	"Potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide"	"[K+].COc1cc(C=[N+]([O-])c2ccccc2Cl)ccc1OC(=S)S"	0	""	""	1	1	54611676	""
"717875"	"717875"	"Potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide"	"[K+].COc1ccc(cc1)[N+](=Cc2ccc(OC(=S)S)c(OC)c2)[O-]"	0	""	""	1	1	54611677	""
"717878"	"717878"	"5-Chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one"	"CCC1=Nc2cc3cccnc3c(Cl)c2NC1=O"	0	""	""	1	1	403219	""
"717879"	"717879"	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5ccncc5)\[C@@H]2O"	0	""	""	1	1	5472323	""
"717887"	"717887"	"Ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate"	"CCOC(=O)c1c2CCOCc2sc1N\C(=N\c3ccccc3)\S"	0	""	""	1	1	5472328	""
"717889"	"717889"	"4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one"	"CN1C(=S)Nc2sc3CSCCc3c2C1=O"	0	""	""	1	1	5472329	""
"717894"	"717894"	"4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3cc(ccc3CCC2)[N+](=O)[O-])c4ccccc4"	0	""	""	1	1	403235	""
"717895"	"717895"	"14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile"	"[O-][N+](=O)c1ccc2CCCC3=C(NC(=O)C(=C3c4ccccc4)C#N)c2c1"	0	""	""	1	1	403236	""
"717896"	"717896"	"4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile"	"NC1=C(C#N)C(C2=C(O1)c3ccccc3CCC2)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	403237	""
"717897"	"717897"	"6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile"	"[O-][N+](=O)c1ccc(cc1)C2=C(C#N)C(=O)NC3=C2CCCc4ccccc34"	0	""	""	1	1	403238	""
"717903"	"717903"	"5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene"	"[O-][N+](=O)c1ccc2CCCC3C(N(N=C3c2c1)c4ccccc4)c5ccccc5Br"	0	""	""	1	1	403244	""
"717950"	"717950"	"8-Chloro-N-isoquinolin-5-yl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4cccc5cnccc45"	0	""	""	1	1	403249	""
"717953"	"717953"	"2-(8-Chloro-5,5-dioxidoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4(3h)-one"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C4=Nc5ccccc5C(=O)N4c6ccccc6"	0	""	""	1	1	403252	""
"717954"	"717954"	"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1\C\4=N\c5ccccc5C(=O)N(c6ccccc6)S(=O)(=O)O4"	0	""	""	1	1	403253	""
"717956"	"717956"	"N-Anthracen-2-yl-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide"	"Clc1cc2Sc3nccn3S(=O)(=O)c2cc1C(=O)Nc4ccc5cc6ccccc6cc5c4"	0	""	""	1	1	403255	""
"717975"	"717975"	"N-Tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine"	"CSc1ncc2C(NC(C)(C)C)Oc3ccccc3c2n1"	0	""	""	1	1	403280	""
"717979"	"717979"	"2-(Morpholin-4-yl)-5-(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine"	"C1CCN(C1)C2Oc3ccccc3c4nc(ncc24)N5CCOCC5"	0	""	""	1	1	403284	""
"718010"	"718010"	"1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4-methoxyphenyl)-1-methylurea"	"COc1ccc(NC(=O)N(C)CC2(O)CCC(CC2)C(C)(C)C)cc1"	0	""	""	1	1	403304	""
"718012"	"718012"	"(1R,4R,5S,6R,7R,8R)-5,7-Bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol"	"O[C@@H]1CO[C@@H]2O[C@](COCc3ccccc3)([C@H]1OCc4ccccc4)[C@H](OCc5ccccc5)[C@H]2O"	0	""	""	1	1	403306	""
"718028"	"718028"	"N-(Phenoxathiin-2-ylcarbamothioyl)benzamide"	"O=C(NC(=S)Nc1ccc2Oc3ccccc3Sc2c1)c4ccccc4"	0	""	""	1	1	5472352	""
"718125"	"718125"	"2-[(Phenylamino)methyl]benzene-1,4-diol"	"Oc1ccc(O)c(CNc2ccccc2)c1"	0	""	""	1	1	403336	""
"718126"	"718126"	"Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate"	"COC(=O)c1cc(ccc1OC)C#Cc2cc(OC)ccc2OC"	0	""	""	1	1	403337	""
"718129"	"718129"	"5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicy..."	"CCCCCCNC(=O)c1cc(NCc2cc(OC)ccc2OC)ccc1O"	0	""	""	1	1	403339	""
"718133"	"718133"	"Methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate"	"COC(=O)[C@H](CSSCC(N\C(=C\C(=O)C)\C)C(=O)OC)N\C(=C\C(=O)C)\C"	0	""	""	1	1	5472356	""
"718135"	"718135"	"2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester"	"CO\N=C(\C(=O)OC)/c1ccccc1COc2cccc(c2)C(F)(F)F"	0	""	""	1	1	6520817	""
"718137"	"718137"	"2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide"	"Oc1cc(cc(O)c1O)C2=CS\C(=N\S(=O)(=O)c3ccc(Cl)cc3Cl)\N2"	0	""	""	1	1	403345	""
"718144"	"718144"	"N-[(S)-1-Benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide"	"COC(CN(C=O)[C@H](c1oc2ccccc2c1)c3ccc(Cl)cc3)OC"	0	""	""	1	1	403352	""
"718149"	"718149"	"(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine"	"O\N=C\C(=N/O)\c1ccc2Oc3ccccc3S(=O)(=O)c2c1"	0	""	""	1	1	135436312	""
"718150"	"718150"	"1,2-Dimethyl-5-phenoxathiin-2-yl-1h-pyrrole"	"Cc1ccc(c2ccc3Oc4ccccc4Sc3c2)n1C"	0	""	""	2	2	403357	""
"718152"	"718152"	"(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine"	"O\N=C\C(=N/O)\c1ccc2Oc3ccccc3Sc2c1"	0	""	""	1	1	135436313	""
"718153"	"718153"	"3-[(E)-Carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\n2c3ccccc3c4ccccc24)c1O"	0	""	""	1	1	135436314	""
"718154"	"718154"	"3-[(E)-Carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde"	"Oc1cc(C=O)cc(\C=N\n2c3ccccc3c4ccccc24)c1O"	0	""	""	1	1	135436315	""
"718155"	"718155"	"N-[(E)-(4-Nitrophenyl)methylideneamino]phenazine-1-carboxamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc3nc4ccccc4nc23)cc1"	0	""	""	2	2	9572500	""
"718156"	"718156"	"1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide"	"O=C(N\N=C\c1ccccc1)c2cccc3nc4ccccc4nc23"	0	""	""	2	2	9572501	""
"718157"	"718157"	"4-[(Z)-Hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol"	"COc1cc(\C=N/O)cc(\C=N\O)c1O"	0	""	""	1	1	135436316	""
"718159"	"718159"	"5-[(Z)-Methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol"	"CO\N=C/c1cc(O)c(O)c(\C=N\OC)c1"	0	""	""	1	1	135436318	""
"718160"	"718160"	"3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\c2ccc(Br)cc2)c1O"	0	""	""	1	1	403367	""
"718161"	"718161"	"4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide"	"COc1cc(C=O)cc(\C=N\c2ccc(cc2)S(=O)(=O)N)c1O"	0	""	""	1	1	403368	""
"718162"	"718162"	"4-[(Z)-(Dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol"	"COc1cc(\C=N/N(C)C)cc(\C=N\N(C)C)c1O"	0	""	""	1	1	135436319	""
"718163"	"718163"	"4-Hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde"	"COc1cc(C=O)cc(\C=N\N=C\c2ccccc2O)c1O"	0	""	""	1	1	135436320	""
"718165"	"718165"	"1-O-Tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate"	"COC(=O)CC(C1C[C@H](N(C(=O)OC(C)(C)C)C1=O)C(=O)OC)c2cn(c3ccccc23)S(=O)(=O)c4ccc(C)cc4"	0	""	""	1	1	403372	""
"718168"	"718168"	"4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide"	"ONC(=O)CCCCCNC(=O)c1ccc(Cl)cc1"	0	""	""	1	1	403373	""
"718169"	"718169"	"m344"	"CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO"	0	""	""	2	2	3994	""
"718170"	"718170"	"M-232"	"COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO"	0	""	""	1	1	403374	""
"718179"	"718179"	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6ccc(cc6)[N+](=O)[O-])\[C@@H]2O"	0	""	""	1	1	5472376	""
"718182"	"718182"	"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate"	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O)[C@@H]3CC=C2C1"	0	""	""	1	1	9572505	""
"718183"	"718183"	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5ccc(cc5)[N+](=O)[O-])\C\4=N/O"	0	""	""	1	1	9572506	""
"718185"	"718185"	"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol"	"COc1ccc(\C=C/2\C(\[C@@]3([C@@H](C2)[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC3)C)=N/O)cc1"	0	""	""	1	1	9572507	""
"718191"	"718191"	"(4e)-4-[(4-Chlorophenyl)imino]-1,5-diphenylpyrrolidin-2-one"	"Clc1ccc(cc1)\N=C/2\CC(=O)N(C2c3ccccc3)c4ccccc4"	0	""	""	1	1	403390	""
"718192"	"718192"	"(3Z)-3-[[4-(4-Chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione"	"Clc1ccc(cc1)c2c[nH]nc2\C=C/3\C(=O)C(N(C3=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	5472384	""
"718199"	"718199"	"2-(7,8-Dimethoxyquinolin-5-yl)aniline"	"COc1cc(c2ccccc2N)c3cccnc3c1OC"	0	""	""	1	1	403398	""
"718212"	"718212"	"(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)(2-chloropyridin-3-yl)methanol"	"OC(c1cccnc1Cl)c2nc3ccccc3c4ccnc(Cl)c24"	0	""	""	1	1	403411	""
"718231"	"718231"	"2-Methyl-1,3-diphenyl-2h-pyrrolo[3,4-b]phenazine"	"Cn1c(c2ccccc2)c3cc4nc5ccccc5nc4cc3c1c6ccccc6"	0	""	""	1	1	403430	""
"718236"	"718236"	"(6,8-Dichloro-4-methoxyquinazolin-7-yl)(phenyl)methanol"	"COc1ncnc2c(Cl)c(C(O)c3ccccc3)c(Cl)cc12"	0	""	""	1	1	403435	""
"718303"	"718303"	"3,4-Dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	"COc1ccc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)cc1"	0	""	""	1	1	5472388	""
"718305"	"718305"	"3-[[3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide"	"COc1cc(cc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)c1OC)C(=O)N"	0	""	""	1	1	5472390	""
"718306"	"718306"	"N-[2,3-Dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide"	"CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)\C=C\c3ccccc3)c(OC)c(OC)c2)c(OC)c(OC)c1"	0	""	""	1	1	5472391	""
"718308"	"718308"	"{(3s,4s,5r)-3,4,5-Tris(benzyloxy)-3-[(benzyloxy)methyl]cyclopent-1-en-1-yl}methanol"	"OCC1=C[C@@](COCc2ccccc2)(OCc3ccccc3)[C@@H](OCc4ccccc4)[C@@H]1OCc5ccccc5"	0	""	""	1	1	403445	""
"718319"	"718319"	"3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-benzo[h]chromen-2-one"	"O=C1Oc2c(C=C1C3=CSC4=NCCN34)ccc5ccccc25"	0	""	""	1	1	403452	""
"718323"	"718323"	"STK700086"	"O=C1Oc2ccc3ccccc3c2C=C1c4cn5ccsc5n4"	0	""	""	1	1	403456	""
"718355"	"718355"	"N-[2-[[(4-Chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide"	"Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(c1)C(=O)NNC(=O)c5ccc(Cl)cc5"	0	""	""	1	1	403458	""
"718358"	"718358"	"N-[4-Bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide"	"COc1cc(cc(OC)c1OC)C(=O)NNC(=O)c2cc(Br)ccc2NC(=O)c3cccs3"	0	""	""	1	1	403461	""
"718359"	"718359"	"N-[2-(Hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide"	"NNC(=O)c1cc(ccc1NC(=O)C23CC4CC(CC(C4)C2)C3)[N+](=O)[O-]"	0	""	""	1	1	5472393	""
"718368"	"718368"	"6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide"	"[I-].[I-].CCCCC1Cc2cc(OC)ccc2c3[n+](C)c4cc(OC)ccc4n13.CCCCC5Cc6cc(OC)ccc6c7[n+](C)c8ccc(OC)cc8n57"	0	""	""	2	2	403469	""
"718370"	"718370"	"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide"	"[I-].[I-].CCCCC1Cc2cc(O)ccc2c3[n+](C)c4cc(O)ccc4n13.CCCCC5Cc6cc(O)ccc6c7[n+](C)c8ccc(O)cc8n57"	0	""	""	2	2	403475	""
"718377"	"718377"	""	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	1	1	NA	""
"718378"	"718378"	""	"Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1"	0	NA	NA	1	1	NA	""
"718379"	"718379"	"(5Ar,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyp"	"COc1cc(cc(OC)c1O)C2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc(cc4)c5ccc(cc5)c6ccc(N[C@H]7[C@H]8COC(=O)[C@@H]8Cc9c7cc%10OCOc%10c9c%11cc(OC)c(O)c(OC)c%11)cc6)c%12cc%13OCOc%13cc2%12"	0	""	""	1	1	403478	""
"718380"	"718380"	"(5Ar,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxypheny"	"COc1cc(cc(OC)c1O)C2[C@@H]3[C@H](COC3=O)[C@H](Nc4ccc5c(Cc6cc(N[C@H]7[C@H]8COC(=O)[C@@H]8Cc9c7cc%10OCOc%10c9c%11cc(OC)c(O)c(OC)c%11)ccc56)c4)c%12cc%13OCOc%13cc2%12"	0	""	""	1	1	403479	""
"718381"	"718381"	"3-[4-[3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one"	"SC1=Nc2ccccc2C(=O)N1c3ccc(cc3)N4C(C(Cl)C4=O)c5cccc(Cl)c5"	0	""	""	1	1	5472397	""
"718383"	"718383"	"3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	"OS(=O)(=O)c1ccc2N=C(COc3ccc(Oc4ccc(Cl)cc4Cl)cc3)N(C(=O)c2c1)c5ccc(Oc6ccc(Cl)cc6)cc5Cl"	0	""	""	1	1	403482	""
"718385"	"718385"	"1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one"	"Oc1c(Cl)cc(Br)c(Cl)c1N2C(C(Cl)C2=O)c3cccc(Br)c3"	0	""	""	1	1	403484	""
"718388"	"718388"	"3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid"	"OS(=O)(=O)c1ccc2N=C(COc3ccc(Oc4ccc(Cl)cc4Cl)cc3)N(C(=S)Nc5ccc(Cl)cc5)C(=O)c2c1"	0	""	""	1	1	5472400	""
"718504"	"718504"	"Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate"	"CCOC(=O)CCc1c(C)c(\C=C\2/NC(=O)C(=C2CC)C)[nH]c1C(=O)OCC"	0	""	""	1	1	6520746	""
"718505"	"718505"	"(4S,9S)-11-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol"	"OC1(N2[C@H]3CCCC[C@@H]3N=C2c4c1ccc5ccccc45)c6ccc(Cl)cc6"	0	""	""	1	1	403505	""
"718507"	"718507"	"15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),7,10-tetraen-15-ol"	"OC1(N2CCN=C2c3ccc4OCOc4c13)c5ccc(Cl)cc5"	0	""	""	1	1	403507	""
"718509"	"718509"	"20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol"	"OC1(N2CCN=C2c3c1c4ccccc4c5ccccc35)c6ccc(Cl)cc6"	0	""	""	1	1	403509	""
"718510"	"718510"	"GNF-PF-2664"	"OC1(N2CCN=C2c3c1c4ccccc4c5ccccc35)c6ccc7ccccc7c6"	0	""	""	2	1	403510	""
"718512"	"718512"	"5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol"	"OC1(N2CCN=C2c3cc(CN4CCCC4)ccc13)c5ccc(Cl)cc5"	0	""	""	1	1	403512	""
"718518"	"718518"	"(4S,9S)-2-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one"	"Clc1ccc(cc1)C23N[C@H]4CCCC[C@@H]4N2C(=O)c5cc6ccccc6cc35"	0	""	""	1	1	403517	""
"718530"	"718530"	"Ethyl 1,6-dimethyl-4,7-dioxo-2-phenyl-4,7-dihydro-1h-indole-3-carboxylate"	"CCOC(=O)c1c2C(=O)C=C(C)C(=O)c2n(C)c1c3ccccc3"	0	""	""	2	1	403520	""
"718532"	"718532"	"2-(Aziridin-1-yl)ethoxy-triphenylsilane;boron"	"B.C(CN1CC1)O[Si](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	6331752	""
"718544"	"718544"	"Methyl 2-oxo-6-oxa-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate"	"COC(=O)c1oc2c(c1)C(=O)c3nc4ccccc4c5ccnc2c35"	0	""	""	1	1	46854647	""
"718545"	"718545"	"3-(2-Aminophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-one"	"Nc1ccccc1C#CC(=O)c2cccc(c2)C(F)(F)F"	0	""	""	1	1	403529	""
"718548"	"718548"	"3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one"	"CC1=C(C)CC2(SC1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C"	0	""	""	1	1	403532	""
"718553"	"718553"	"Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester"	"COc1ccc(C=O)cc1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	1	403537	""
"718555"	"718555"	"2,6-Dihexyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide"	"CCCCCCN1C(=O)CC(=O)N(CCCCCC)S1(=O)=O"	0	""	""	1	1	403539	""
"718564"	"718564"	"N,N,2-Trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine"	"CN(C)c1cc2c3ccccc3[nH]c2c(C)c4cccc14"	0	""	""	1	1	403544	""
"718565"	"718565"	"(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone"	"Cc1c2cccc2ccc3c4ccccc4n(C(=O)c5ccc(Cl)cc5)c13"	0	""	""	2	2	403545	""
"718567"	"718567"	"16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9,11,13,15-octaene-5,8-diol"	"Cc1oc2c3ccc(O)cc3c(O)cc2c4cccc14"	0	""	""	1	1	403547	""
"718571"	"718571"	"Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate"	"CC(C)(C)OC(=O)n1cc(C2CN(O)C(=O)C23CCC(=O)N3Cc4ccccc4)c5ccccc15"	0	""	""	1	1	403551	""
"718578"	"718578"	"N-[2-[2-(2H-Benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide"	"CN(CCNC(=O)c1n[nH]c2c1ccc3ccccc23)CCNC(=O)c4n[nH]c5c4ccc6ccccc56"	0	""	""	2	2	403554	""
"718579"	"718579"	"2-Methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide"	"CN(CCCNC(=O)c1c2ccc3ccccc3c2nn1C)CCCNC(=O)c4c5ccc6ccccc6c5nn4C"	0	""	""	2	1	403555	""
"718581"	"718581"	"15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(ccc5ccccc45)c13"	0	""	""	1	1	135426789	""
"718582"	"718582"	"14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"O=C1NN=Cc2[nH]c3c(CCCc4ccccc34)c12"	0	""	""	1	1	135426790	""
"718583"	"718583"	"16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"O=C1NN=C(c2ccccc2)c3[nH]c4c(CCCc5ccccc45)c13"	0	""	""	1	1	135426791	""
"718587"	"718587"	"N-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine"	"CCNC1(OC(C)(C)c2cccc3cccc1c23)c4cccc(C)c4"	0	""	""	1	1	403563	""
"718588"	"718588"	"1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine"	"Cc1ccc(cc1)C2(OC(C)(C)c3cccc4cccc2c34)N5CCCC5"	0	""	""	1	1	403564	""
"718591"	"718591"	"Tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate"	"CC(C)(C)OC(=O)N1[C@H]2CC[C@@]3(C)C(CC=C3c4cccnc4)[C@@H]2CC=C1c5cccnc5"	0	""	""	1	1	403567	""
"718630"	"718630"	"2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	"COC1=CC(=O)c2c(cc(COP(=O)(N(C)CCBr)N(C)CCBr)n2C)C1=O"	0	""	""	2	2	403577	""
"718631"	"718631"	"3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione"	"COC1=CC(=O)c2c(C1=O)c(COP(=O)(N(C)CCBr)N(C)CCBr)cn2C"	0	""	""	2	2	403578	""
"718634"	"718634"	"1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3cc(ccn3)C(F)(F)F)c4cc(Br)ccc24"	0	""	""	1	1	403581	""
"718637"	"718637"	"(2Z)-2-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one"	"CC1S\C(=N/N=C/2\C(=O)Nc3ccc(Br)cc23)\N(C4CCCCC4)C1=O"	0	""	""	1	1	135436322	""
"718640"	"718640"	"1-Methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea"	"CNC(=S)N\N=C\1/C(=O)N(CN2CCOCC2)c3ccc(cc13)[N+](=O)[O-]"	0	""	""	1	1	135426794	""
"718645"	"718645"	"2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide"	"Fc1ccc2NC(=O)\C(=N/NC(=O)CSC3=Nc4ccc(Cl)cc4C(=O)N3c5ccccc5)\c2c1"	0	""	""	2	2	403592	""
"718649"	"718649"	"4-[(4Z)-5-Oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide"	"O=C1N(C(=N/C/1=C\c2ccc(Oc3ccccc3)cc2)c4ccccc4)c5ccc(cc5)S(=O)(=O)Nc6nccs6"	0	""	""	1	1	5472414	""
"718654"	"718654"	"4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)N2C(=O)\C(=C\c3ccc(Cl)cc3)\N=C2c4ccccc4)c5ccccc5"	0	""	""	1	1	5472419	""
"718660"	"718660"	"4-[3-Chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one"	"CN1N(C(=O)C(=C1C)N2C(\C=C\c3ccccc3)C(Cl)C2=O)c4ccccc4"	0	""	""	1	1	5472423	""
"718662"	"718662"	"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate"	"CCOC(=O)CCC(C(=O)OCC)n1nc2ccc(Nc3c(C)[n+]([O-])c4ccc(Cl)cc4[n+]3[O-])cc2n1"	0	""	""	1	1	135426796	""
"718675"	"718675"	"4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-..."	"CSc1nc(NCc2ccccc2)c3cnn(COCCO)c3n1"	0	""	""	1	1	403619	""
"718688"	"718688"	"2-Methoxy-3-{[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl]sulfonyl}benzoic acid"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5cccc(C(=O)O)c5OC"	0	""	""	1	1	403620	""
"718689"	"718689"	"(E)-3-[4-[[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5ccc(\C=C\C(=O)O)cc5"	0	""	""	1	1	5472424	""
"718690"	"718690"	"2-[(4-Chlorophenyl)sulfonyl]-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazole"	"COc1ccc(cc1)C2C3CCc4ccccc4C3=NN2S(=O)(=O)c5ccc(Cl)cc5"	0	""	""	1	1	403622	""
"718695"	"718695"	"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one"	"Clc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4nc5ccccc5[nH]4)c6nc7ccccc7[nH]6"	0	""	""	1	1	5472425	""
"718696"	"718696"	"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one"	"CSc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4nc5ccccc5[nH]4)c6nc7ccccc7[nH]6"	0	""	""	1	1	5472426	""
"718700"	"718700"	"4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one"	"Cc1nn(c2NC(=O)NC(c3cc4ccccc4nc3Cl)c12)c5ccccc5"	0	""	""	1	1	403632	""
"718701"	"718701"	"5-(3-Chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole"	"Clc1ccc(cc1)C2=NNC(C2)c3cccc(Cl)c3"	0	""	""	1	1	403633	""
"718702"	"718702"	"2-[5-(3-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)C2=NNC(C2)c3cccc(Cl)c3"	0	""	""	1	1	403634	""
"718703"	"718703"	"1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CC(=O)N1N=C(CC1c2cccc(Cl)c2)c3cc(C)ccc3O"	0	""	""	1	1	403635	""
"718707"	"718707"	"Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate"	"CCOC(=O)C1C(CC(=CC1=O)c2cc(C)ccc2O)c3cccc(Cl)c3"	0	""	""	1	1	403639	""
"718709"	"718709"	"4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one"	"Cc1ccc(O)c(c1)C2=CC3=NNC(=O)C3C(C2)c4cccc(Cl)c4"	0	""	""	1	1	403641	""
"718710"	"718710"	"Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-"	"Clc1ccc(Cc2nc3ccccc3nc2c4cccc(Cl)c4)cc1"	0	""	""	1	1	403642	""
"718713"	"718713"	"2-[2-Amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol"	"Cc1ccc(O)c(c1)C2=CC(SC(=N)N2)c3cccc(Cl)c3"	0	""	""	1	1	403645	""
"718716"	"718716"	"2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile"	"Nc1nc(cc(c2cccc(Br)c2)c1C#N)c3ccc(Cl)cc3"	0	""	""	1	1	403648	""
"718717"	"718717"	"2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile"	"Cc1ccc(O)c(c1)c2cc(c3cccc(Br)c3)c(C#N)c(N)n2"	0	""	""	1	1	403649	""
"718718"	"718718"	"Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate"	"CCOC(=O)C1C(CC(=CC1=O)c2cc(C)ccc2O)c3cccc(Br)c3"	0	""	""	1	1	403650	""
"718719"	"718719"	"4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one"	"Clc1ccc(cc1)C2=CC3=NNC(=O)C3C(C2)c4cccc(Br)c4"	0	""	""	1	1	403651	""
"718721"	"718721"	"2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline"	"Clc1ccc(Cc2nc3ccccc3nc2c4cccc(Br)c4)cc1"	0	""	""	1	1	403653	""
"718727"	"718727"	"5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N-hex..."	"CCCCCCNC(=O)c1cc(ccc1OC)C#Cc2cc(OC)ccc2OC"	0	""	""	1	1	403659	""
"718728"	"718728"	"5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N- [2..."	"COc1ccc(OC)c(c1)C#Cc2ccc(OC)c(c2)C(=O)NCCc3ccc(F)cc3"	0	""	""	1	1	403660	""
"718729"	"718729"	"Cyclopent-4-ene-1,3-dione, 2-[[4-hydroxy-3,5-bis(1,1-dim..."	"CC(C)(C)c1cc(C=C2C(=O)C=CC2=O)cc(c1O)C(C)(C)C"	0	""	""	2	2	403661	""
"718730"	"718730"	"2-(3,5-Di-tert-butyl-4-methoxybenzyl)cyclopent-4-ene-1,3-dione"	"COc1c(cc(CC2C(=O)C=CC2=O)cc1C(C)(C)C)C(C)(C)C"	0	""	""	2	1	403662	""
"718731"	"718731"	"2-(3,5-Di-tert-butyl-4-hydroxybenzyl)-1h-indene-1,3(2h)-dione"	"CC(C)(C)c1cc(CC2C(=O)c3ccccc3C2=O)cc(c1O)C(C)(C)C"	0	""	""	1	1	403663	""
"718738"	"718738"	"11-(6'-Bromohexylidene)-5,6-dihydro-2,3-dimethoxy-6-meth..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	5472441	""
"718742"	"718742"	"S-[2-[2-[2-[2-[2-[(2-Benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate"	"COc1ccc(NC(=O)CSC(=O)c2ccccc2)c(SCCSSCCSc3cc(OC)ccc3NC(=O)CSC(=O)c4ccccc4)c1"	0	""	""	1	1	403667	""
"718777"	"718777"	"N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine"	"CC(C)(C)CNCCCNc1ccc(Cl)cc1"	0	""	""	1	1	403668	""
"718781"	"718781"	"Erlotinib"	"COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC"	0	"PK:YK,EGFR"	"FDA approved"	10	9	NA	"183319699"
"718800"	"718800"	"(2S)-N-[(2S)-1-[2-(5-Methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide"	"COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NCC(F)(F)F)C(C)C)c2c1"	0	""	""	1	1	403672	""
"718809"	"718809"	"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccnc5)\[C@@H]2O"	0	""	""	1	1	5472448	""
"718810"	"718810"	"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine"	"C[C@]12CC\C(=N/O)\C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5cccnc5)\C\4=N/O"	0	""	""	1	1	9572510	""
"718811"	"718811"	"(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	403687	""
"718812"	"718812"	"(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	403688	""
"718813"	"718813"	"(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione"	"COc1cc2C(=O)N3CCC[C@H]3C(=O)Nc2cc1OCCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	403689	""
"718890"	"718890"	"12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene"	"C1CN2CCN(CC\N=C\c3ccccc3OCc4cccc(COc5ccccc5\C=N\1)n4)CC2"	0	""	""	1	1	403699	""
"718891"	"718891"	"3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene"	"C1C\N=C\c2ccccc2OCc3cccc(COc4ccccc4\C=N\CCO1)n3"	0	""	""	1	1	403700	""
"718901"	"718901"	"4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline"	"Nc1ccc(Cc2ccc(cc2)\N=C/c3ccc(OCc4cccc(COc5ccc(\C=N/c6ccc(Cc7ccc(N)cc7)cc6)cc5)n4)cc3)cc1"	0	""	""	1	1	403710	""
"718907"	"718907"	"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine"	"COc1ccc(O)c(\C=N\CCC\N=C\c2cc(OC)ccc2O)c1"	0	""	""	1	1	403716	""
"718919"	"718919"	"3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one"	"CC1=CC2=C(C(=O)C(=C)C2(C)C13CC3)[Si](C)(C)C"	0	""	""	1	1	403718	""
"719121"	"719121"	"2-[8-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	""	""	1	1	403719	""
"719122"	"719122"	"2-[10-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione"	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCCCCCCN4C(=O)c5cccc6cccc(C4=O)c56"	0	""	""	1	1	403720	""
"719148"	"719148"	"4-Chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline"	"Fc1cc(C2=Nn3c(CNc4ccc(Cl)cc4)nnc3S/C/2=C\c5oc(cc5)c6ccc(Cl)cc6)c(Cl)cc1Cl"	0	""	""	1	1	5472467	""
"719151"	"719151"	"4-Chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline"	"Clc1ccc(NCc2oc(COc3ccc(OCc4oc(CNc5ccc(Cl)cc5)nn4)c(Cl)c3)nn2)cc1"	0	""	""	1	1	403741	""
"719152"	"719152"	"2-[3-Chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide"	"Clc1ccc(c(Cl)c1)c2oc(\C=N\NC(=O)COc3ccc(OCC(=O)N\N=C\c4oc(cc4)c5ccc(Cl)cc5Cl)c(Cl)c3)cc2"	0	""	""	1	1	54611645	""
"719156"	"719156"	"2-[3-Chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide"	"Fc1cc(C2CSC(=N2)NNC(=O)COc3ccc(OCC(=O)NNC4=NC(CS4)c5cc(F)c(Cl)cc5Cl)c(Cl)c3)c(Cl)cc1Cl"	0	""	""	1	1	403746	""
"719159"	"719159"	"3-Genistein-8-C-glucoside"	"OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3C(=O)C(=COc23)c4ccc(O)cc4"	0	""	""	1	1	5472471	""
"719162"	"719162"	"11-(5'-Bromopentylidine)-5,6-dihydro-2,3-dimethoxy-6-met..."	"COc1cc2C(=O)N(C)C3=C(\C(=C/CCCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	5472472	""
"719163"	"719163"	"4-[(Z)-Indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline"	"CN(C)c1ccc(\C=C/2\c3ccccc3n4nc5ccccc5c24)cc1"	0	""	""	1	1	5472473	""
"719177"	"719177"	"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 1..."	"Oc1ccc(O)c(CNc2ccc(cc2)C(=O)OCCC34CC5CC(CC(C5)C3)C4)c1"	0	""	""	1	1	403758	""
"719181"	"719181"	"5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine"	"Cc1nnc2nc(cc(c3ccc(Cl)cc3)n12)c4ccc(Cl)cc4Cl"	0	""	""	1	1	403762	""
"719182"	"719182"	"3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one"	"Cc1ccc2nc(sc2c1)c3ccc(cc3)N4C(C(Cl)C4=O)c5ccc(Cl)cc5"	0	""	""	1	1	403763	""
"719210"	"719210"	"N-[2-(Acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide"	"Cc1cc(CCC(=O)NCCNc2c3ccccc3nc4ccccc24)cc(C)c1O[Si](C)(C)C(C)(C)C"	0	""	""	1	1	403766	""
"719211"	"719211"	"11-(4'-Iodobutylidene)-5,6-dihydro-2,3-dimethoxy-6-methy..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCI)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	3	2	5472476	""
"719212"	"719212"	"ma'iliohydrin"	"CC1(C)[C@H](Br)[C@H](O)CC(=C)[C@@]12CCC(O)(CBr)C=C2"	0	""	""	1	1	403768	""
"719239"	"719239"	"E-7820"	"Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13"	0	"Ang|ITG"	"Clinical trial"	3	2	196970	""
"719240"	"719240"	"Apotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=2..."	""	0	NA	NA	1	1	NA	""
"719242"	"719242"	"Holotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=..."	""	0	NA	NA	1	1	NA	""
"719243"	"719243"	"Holotransferrin complexed w/(ImH)trans-[(Im)2Cl4RuIII, M..."	""	0	NA	NA	1	1	NA	""
"719244"	"719244"	"6a-hydroxysalvinolone"	"CC(C)c1cc2CC(=C3C(C)(C)CCC[C@]3(C)c2c(O)c1O)O"	0	""	""	1	1	403771	""
"719249"	"719249"	"3,4,5-Trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline"	"COc1cc(NCc2ccc3COc4ccccc4n23)cc(OC)c1OC"	0	""	""	1	1	403776	""
"719252"	"719252"	"Ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate"	"CCOC(=O)N(Cc1cccs1)c2cc(OC)c(OC)c(OC)c2"	0	""	""	1	1	403779	""
"719263"	"719263"	"[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-Acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-ox"	"COc1cc2c(cc1C[C@H]3[C@@H]4C[C@@H]5N(C)[C@@H](Cc6c5n(C)c7ccccc67)[C@@H]4CO[C@]3(C)OC(=O)C)c8C[C@H]9[C@@H]%10COC=C([C@@H]%10CC(N9C)c8n2C)C(=O)C"	0	""	""	1	1	403786	""
"719264"	"719264"	"Macrocarpamine"	"COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@H]4c5ccccc5N1[C@]34\C=C\C6=COC[C@H]7[C@@H]8Cc9c([C@H](C[C@@H]67)N8C)n(C)c%10ccccc9%10)C/C/2=C/C"	0	""	""	1	1	5472477	""
"719276"	"719276"	"Fulvestrant"	"C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O"	0	"AM|Ho|ESR|SERM"	"FDA approved"	2	2	104741	"129453618"
"719279"	"719279"	"1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one"	"O=C1NI(C#Cc2ccccc2)c3ccccc13"	0	""	""	1	1	403789	""
"719280"	"719280"	"3-(methyl-S-glutathionyl)oxindole-diethyl ester"	"CCOC(=O)CNC(=O)C(CSCC1C(=O)Nc2ccccc12)NC(=O)CCC(N)C(=O)OCC"	0	""	""	1	1	403790	""
"719328"	"719328"	"dorsmanin A"	"CC1(C)CCc2c(O)c(ccc2O1)C(=O)\C=C\c3ccc(O)cc3"	0	""	""	1	1	5472480	""
"719330"	"719330"	"6-prenylchrysoeriol"	"COc1cc(ccc1O)C2=CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2"	0	""	""	1	1	403815	""
"719332"	"719332"	"1H-Indol-3-yl diphenyl phosphate"	"O=P(Oc1ccccc1)(Oc2ccccc2)Oc3c[nH]c4ccccc34"	0	""	""	1	1	403817	""
"719346"	"719346"	"2,6-Diamino-5-[1-(diethoxymethyl)-3-phenylpropyl]pyrimidin-4(1h)-one"	"CCOC(OCC)C(CCc1ccccc1)C2=C(N)N=C(N)NC2=O"	0	""	""	1	1	135426806	""
"719362"	"719362"	"(5Ar,6r,8ar)-6-(1,5-dimethylhexyl)-5a-methyl-2,3,4,5,6,7,8,8a-octahydro-1h-cyclopenta[b]azepine"	"CC(C)CCCC(C)[C@H]1CC[C@H]2NCCCC[C@]12C"	0	""	""	2	2	403828	""
"719366"	"719366"	"(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene"	"CC(C)CCCC(C)[C@H]1CC[C@H]2n3c(CCC[C@]12C)nnc3c4ccccc4"	0	""	""	1	1	403832	""
"719370"	"719370"	"Ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate"	"CCOC(=O)Nc1c(C#N)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	135426809	""
"719372"	"719372"	"(3e)-7-Chloro-3-[(4-fluorophenyl)imino]-4-hydroxy-3,4-dihydroquinoxaline-2-carbonitrile 1-oxide"	"[O-][n+]1c(Nc2ccc(F)cc2)c(C#N)[n+]([O-])c3cc(Cl)ccc13"	0	""	""	1	1	135426810	""
"719376"	"719376"	"(4S,8S,12S,16S)-4,8,12,16-Tetrabenzyl-1,9-bis(prop-2-enyl)-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone"	"C=CCN1[C@@H](Cc2ccccc2)CC(=O)N[C@@H](Cc3ccccc3)CC(=O)N(CC=C)[C@@H](Cc4ccccc4)CC(=O)N[C@@H](Cc5ccccc5)CC1=O"	0	""	""	1	1	403842	""
"719381"	"719381"	"Methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate"	"COC(=O)C1=CSC(=C2S[C@H]3[C@H]4C[C@H](C=C4)[C@H]3S2)S1"	0	""	""	1	1	403847	""
"719393"	"719393"	"ChemDiv1_000166"	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-])cc2)n1"	0	""	""	1	1	403860	""
"719406"	"719406"	"Methyl 2-hydroxy-5-(3-methylbenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5cccc(C)c5"	0	""	""	1	1	403873	""
"719407"	"719407"	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	403874	""
"719409"	"719409"	"Methyl 5-benzyl-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3Cc4ccccc4C(=O)c3n2Cc5ccccc5"	0	""	""	1	1	403876	""
"719411"	"719411"	"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5,11-dihydro-6h-benzo[b]carbazol-6-one"	"COc1cc(Cn2c3C(=O)c4ccccc4Cc3c5cc(O)ccc25)cc(OC)c1"	0	""	""	1	1	403878	""
"719412"	"719412"	"2-Hydroxy-5-(2-methoxybenzyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccccc1Cn2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25"	0	""	""	1	1	403879	""
"719415"	"719415"	"5-(2,4-Dichlorobenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"Oc1ccc2c(c1)c3C(=O)c4ccccc4C(=O)c3n2Cc5ccc(Cl)cc5Cl"	0	""	""	1	1	403882	""
"719416"	"719416"	"2-Hydroxy-5-(4-methoxyphenyl)-5,11-dihydro-6h-benzo[b]carbazol-6-one"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4Cc3c5cc(O)ccc25"	0	""	""	1	1	403883	""
"719468"	"719468"	"LS-41409"	"Clc1ccc(\C=C\2/CSc3ccccc3C2=O)cc1"	0	""	""	1	1	5472487	""
"719469"	"719469"	"3-(4-Bromophenyl)-2-phenyl-2,3,3a,4-tetrahydrothiochromeno[4,3-c]pyrazole"	"Brc1ccc(cc1)C2C3CSc4ccccc4C3=NN2c5ccccc5"	0	""	""	1	1	403885	""
"719477"	"719477"	"(3Z)-3-[(3-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1cccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)c1"	0	""	""	1	1	5472489	""
"719478"	"719478"	"(3Z)-3-(Furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole"	"o1cccc1\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45"	0	""	""	1	1	5472490	""
"719479"	"719479"	"(3Z)-3-[(4-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1ccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)cc1"	0	""	""	1	1	5472491	""
"719480"	"719480"	"(3Z)-3-[(2-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole"	"Clc1ccccc1\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45"	0	""	""	1	1	5472492	""
"719481"	"719481"	"N,N-Diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline"	"CCN(CC)c1ccc(\C=C\2/N=C(c3ccccc3)n4c2nc5ccccc45)cc1"	0	""	""	1	1	5472493	""
"719487"	"719487"	"Phenolnaphthalein derivative, 1"	"Oc1ccc(cc1F)C2(OC(=O)c3cccc4cccc2c34)c5ccc(O)c(F)c5"	0	""	""	1	1	403898	""
"719488"	"719488"	"4,4-Bis(4-methoxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one"	"COc1ccc(cc1)C2(OC(=O)c3cccc4cccc2c34)c5ccc(OC)cc5"	0	""	""	1	1	403899	""
"719489"	"719489"	"8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one"	"Oc1ccc(cc1)C2(OC(=O)c3ccc(Cl)c4cccc2c34)c5ccc(O)cc5.Oc6ccc(cc6)C7(OC(=O)c8cccc9c(Cl)ccc7c89)c%10ccc(O)cc%10"	0	""	""	1	1	403900	""
"719502"	"719502"	"17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one"	"Cn1c2C=NNC(=O)c2c3ccc4ccccc4c13"	0	""	""	1	1	403909	""
"719503"	"719503"	"18-Methyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one"	"Cn1c2C=NNC(=O)c2c3CCCc4ccccc4c13"	0	""	""	1	1	403910	""
"719623"	"719623"	"(5Z)-1-(4-Chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one"	"Clc1ccc(\C=C\2/N(C(=O)N(C2=S)c3ccccc3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	5472496	""
"719625"	"719625"	"Bisabolene PEH-III G3"	"CC(=CCCC(=C)C1CCC(=CC1)C)C"	0	""	""	1	1	403919	""
"719626"	"719626"	"PHH6f"	"CC\C=C\C(CC)\C=C\C[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1"	0	""	""	2	2	5472497	""
"719627"	"719627"	"Celecoxib"	"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F"	0	"AM|PTGS2|COX2|NonCan:NSAID"	"FDA approved"	1	1	NA	"169590425"
"719660"	"719660"	"1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1N=[N+]=[N-])N2C=C(C)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	""	""	2	2	403924	""
"719661"	"719661"	"1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	NA	NA	2	2	NA	""
"719665"	"719665"	"7-methoxy-8-[3-(4-methylhexahydro-1-pyrazinyl)propoxyl -..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCN(C)CC4"	0	""	""	1	1	403925	""
"719667"	"719667"	"7-methoxy-8-[3-(1,4-oxazinan-4-yl)propoxy-(11aS)-2,3,5,1..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCOCC4"	0	""	""	1	1	403927	""
"719688"	"719688"	"11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole"	"COC(=O)\C=C/1\c2ccccc2n3nc4ccccc4c13"	0	""	""	1	1	5472499	""
"719690"	"719690"	"11-Cyanomethylen-11H-indolo[1,2-a]indazole"	"N#C\C=C/1\c2ccccc2n3nc4ccccc4c13"	0	""	""	1	1	5472501	""
"719700"	"719700"	"4-Chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide"	"C\C(=N/NC(=O)c1ccc(Cl)cc1)\c2nc3cccnc3[nH]2"	0	""	""	1	1	135417302	""
"719705"	"719705"	"Ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate"	"CCOC(=O)\C=C\1/Nc2ccccc2C13CCc4c([nH]c5ccccc45)C3C(=O)OCC"	0	""	""	1	1	5472503	""
"719706"	"719706"	"Ethyl 2-(2-ethoxy-2-oxoethyl)spiro[1,2-dihydroindole-3,2'-1,3,4,9-tetrahydrocarbazole]-1'-carboxylate"	"CCOC(=O)CC1Nc2ccccc2C13CCc4c([nH]c5ccccc45)C3C(=O)OCC"	0	""	""	1	1	403940	""
"719714"	"719714"	"Cambridge id 6981662"	"CC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	403948	""
"719715"	"719715"	"1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone"	"CC(=O)c1c([n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	403949	""
"719720"	"719720"	"2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)Cc2c(C)nc3sc(C)cn23"	0	""	""	1	1	403954	""
"719723"	"719723"	"2-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)Cc2c(Cl)nc3sc(C)cn23"	0	""	""	1	1	403957	""
"719726"	"719726"	"2-[(E)-3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione"	"COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C\c2c(Cl)nc3sccn23"	0	""	""	1	1	5472504	""
"719734"	"719734"	"Diethyl 4-amino[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate"	"CCOC(=O)c1nnc2c(C(=O)OCC)c3ccccc3n2c1N"	0	""	""	1	1	403963	""
"719735"	"719735"	"Ethyl 4-amino-3-carbamoyl[1,2,4]triazino[4,3-a]indole-10-carboxylate"	"CCOC(=O)c1c2ccccc2n3c(N)c(nnc13)C(=O)N"	0	""	""	1	1	403964	""
"719736"	"719736"	"Methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxypheny"	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]2O)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)OC"	0	""	""	1	1	6712912	""
"719737"	"719737"	"Methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentan"	"CC[C@H](C)[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4([C@H]23)[C@H]1N(C)c5cc(OC)c(Br)cc45)C(=O)OC"	0	""	""	1	1	6712913	""
"719923"	"719923"	"S-(3,5-Dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate"	"O=C(SC1=NNC(=O)NC1=O)c2cccc3nc4ccccc4nc23"	0	""	""	1	1	403975	""
"719979"	"719979"	"2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one"	"BrC1=CC2(CCNC3=C2C(=O)c4nc5ccccc5c6ccnc3c46)C=C(Br)C1=O"	0	""	""	1	1	135968227	""
"719982"	"719982"	"S-(Dimethylarsino)-thiomercaptosuccinic acid"	"C[As](C)SC(CC(=O)O)C(=O)O"	0	""	""	2	2	403983	""
"719994"	"719994"	"5-(3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4- oxo..."	"O=C1CS\C(=C/2\SC(=S)N(C2=O)c3ccccc3)\N1c4ccccc4"	0	""	""	1	1	5472509	""
"719997"	"719997"	"5-(5-benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3..."	"O=C1N(\C(=C\2/SC(=S)N(C2=O)c3ccccc3)\S/C/1=C\c4ccccc4)c5ccccc5"	0	""	""	1	1	5472512	""
"719999"	"719999"	"5-(p-anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-..."	"COc1ccc(\C=C\2/S\C(=C/3\SC(=S)N(C3=O)c4ccccc4)\N(C2=O)c5ccccc5)cc1"	0	""	""	1	1	5472514	""
"720028"	"720028"	"3-Acetyl-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"CC(=O)c1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	403993	""
"720029"	"720029"	"Ethyl 6-Hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine -3..."	"CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	403994	""
"720052"	"720052"	"11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]in..."	"COC(=O)\C=C/1\c2ccccc2n3c1c4ccccc4[n+]3C"	0	""	""	1	1	5472517	""
"720053"	"720053"	"11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium tr..."	"C[n+]1c2ccccc2c3\C(=C/C#N)\c4ccccc4n13"	0	""	""	1	1	5472519	""
"720054"	"720054"	"4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4- yl)m..."	"Cc1nn(c(C)c1\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccccc3)c4ccccc4"	0	""	""	1	1	9572519	""
"720055"	"720055"	"4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyra..."	"Cc1nn(c(C)c1\C=N\NC(=O)C2=C(N)N(C(=S)S2)c3ccc(Cl)cc3)c4ccccc4"	0	""	""	1	1	9572520	""
"720057"	"720057"	"5-(p-chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5- dimet..."	"Cc1nn(c(C)c1\C=N\N=C\2/S\C(=C/c3ccc(Cl)cc3)\C(=O)N2c4ccccc4)c5ccccc5"	0	""	""	1	1	9572522	""
"720065"	"720065"	"Vedelianin"	"CC(=CCc1c(O)cc(\C=C\c2cc(O)c3O[C@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]4Cc3c2)cc1O)C"	0	""	""	2	2	643539	""
"720093"	"720093"	"15deoxy-delta-12,14-PGJ2"	"CCCCC\C=C/C=C/1\[C@@H](C\C=C/CCCC(=O)O)C=CC1=O"	0	""	""	1	1	5283035	""
"720134"	"720134"	"2-[(E)-[5-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2n1ccc3nc(c(\C=N\NC(=N)N)n23)c4ccccc4)c5ccccc5"	0	""	""	1	1	9572528	""
"720135"	"720135"	"2-[(E)-[2-Chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	9572530	""
"720137"	"720137"	"2-[(E)-[2-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	9572534	""
"720139"	"720139"	"2-[(E)-[3-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c3cccc(c3)[N+](=O)[O-])c(\C=N\NC(=N)N)n12"	0	""	""	2	1	9572538	""
"720140"	"720140"	"2-[(E)-[3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c3ccc(cc3)[N+](=O)[O-])c(\C=N\NC(=N)N)n12"	0	""	""	2	1	9572540	""
"720142"	"720142"	""	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"720147"	"720147"	"2-[(E)-[2,3-Dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1sc2nc(c(\C=N\NC(=N)N)n2c1C)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	9572550	""
"720148"	"720148"	"Cdk1 inhibitor"	"Clc1[nH]c2ccccc2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	1	1	5472558	""
"720149"	"720149"	"(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4ccccc34)\c2c1"	0	""	""	1	1	5472559	""
"720173"	"720173"	"2,3-Dimethyl-4,7,8,9-tetrahydro-1H-pyrazino[2,3-a]carbazole-5,10-dione"	"Cc1nc2c(O)cc3c4CCCC(=O)c4[nH]c3c2nc1C"	0	""	""	1	1	135426814	""
"720174"	"720174"	"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-1h-pyrazino[2,3-a]carbazole-5,10-dione"	"Cc1nc2c(O)cc3c4CCCC(=O)c4n(Cc5ccccc5)c3c2nc1C"	0	""	""	1	1	135426815	""
"720176"	"720176"	"2,3-Dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4[nH]c3c2nc1C"	0	""	""	2	2	404058	""
"720177"	"720177"	"2,3,11-Trimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4n(C)c3c2nc1C"	0	""	""	2	2	404059	""
"720180"	"720180"	"5-(3,5-Dimethoxybenzyl)-1-[(dimethylamino)methyl]-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5c(CN(C)C)c(O)ccc25)cc(OC)c1"	0	""	""	1	1	404062	""
"720182"	"720182"	"Benzo[c][2,7]naphthyridin-4-yl(thiophen-3-yl)methanone"	"O=C(c1ccsc1)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	404064	""
"720183"	"720183"	"Benzo[c][2,7]naphthyridin-4-yl(thiophen-2-yl)methanone"	"O=C(c1cccs1)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	404065	""
"720185"	"720185"	"5-(Benzo[c][2,7]naphthyridin-4-ylcarbonyl)-1-methylpyridin-2(1h)-one"	"CN1C=C(C=CC1=O)C(=O)c2nccc3c4ccccc4ncc23"	0	""	""	1	1	404067	""
"720187"	"720187"	"4-Hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde"	"COc1cc(C=O)cc(\C=N\c2ccccn2)c1O"	0	""	""	1	1	135436331	""
"720188"	"720188"	"2-Ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol"	"CCOc1cc(\C=N/O)cc(\C=N\O)c1O"	0	""	""	1	1	135436332	""
"720190"	"720190"	"[(E)-1-Phenoxathiin-2-ylethylideneamino]thiourea"	"C\C(=N/NC(=S)N)\c1ccc2Oc3ccccc3Sc2c1"	0	""	""	1	1	9572553	""
"720191"	"720191"	"1H-Benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3cccc[n+]3[O-]"	0	""	""	1	1	135426818	""
"720193"	"720193"	"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine"	"N(\N=C(/c1ccccc1)\c2ccccn2)c3nc4ccccc4[nH]3"	0	""	""	2	2	9572555	""
"720194"	"720194"	"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine"	"C(\C(=N/Nc1nc2ccccc2[nH]1)\c3ccccn3)c4ccccc4"	0	""	""	2	2	9572556	""
"720195"	"720195"	"2-[2-(Dipyridin-2-ylmethylidene)hydrazino]-1h-benzimidazole"	"N(N=C(c1ccccn1)c2ccccn2)c3nc4ccccc4[nH]3"	0	""	""	2	2	404076	""
"720196"	"720196"	"1,3-Benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1nc2ccccc2s1)\c3cccc[n+]3[O-]"	0	""	""	1	1	6712917	""
"720197"	"720197"	"N-[(E)-[Cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine"	"C1CCC(CC1)\C(=N/Nc2nc3ccccc3s2)\c4ccccn4"	0	""	""	1	1	9572557	""
"720198"	"720198"	"1,3-Benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene"	"C\C(=N/Nc1oc2ccccc2n1)\c3cccc[n+]3[O-]"	0	""	""	1	1	6712918	""
"720199"	"720199"	"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine"	"C(\C(=N/Nc1oc2ccccc2n1)\c3ccccn3)c4ccccc4"	0	""	""	2	2	9572558	""
"720200"	"720200"	"N-(Dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine"	"N(N=C(c1ccccn1)c2ccccn2)c3oc4ccccc4n3"	0	""	""	2	2	404079	""
"720201"	"720201"	"N-(2,6-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)cccc3F"	0	""	""	1	1	404080	""
"720202"	"720202"	"N-(2,4-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3ccc(F)cc3F"	0	""	""	1	1	404081	""
"720203"	"720203"	"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)c(F)cc(F)c3F"	0	""	""	1	1	404082	""
"720204"	"720204"	"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)COc2ccccc2)c3c(F)c(F)c(F)c(F)c3F"	0	""	""	1	1	404083	""
"720205"	"720205"	"N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(CC(O)c2ccccc2)c3ccccc3F"	0	""	""	2	1	404084	""
"720207"	"720207"	"N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide"	"Cc1ccc(cc1)S(=O)(=O)N(C2CCCCC2O)c3ccccc3F"	0	""	""	1	1	404086	""
"720229"	"720229"	"4-(4-Carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)CCCn2c3ccccc3c4ccccc24)cn1C"	0	""	""	1	1	404108	""
"720230"	"720230"	"Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate"	"COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(cn3C)[N+](=O)[O-])cn2C)cn1C"	0	""	""	1	1	404109	""
"720236"	"720236"	"STK979731"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	9572559	""
"720238"	"720238"	"5-Bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide"	"[O-][N+](=O)c1oc(\C=C\C=N\NC(=O)c2ccc(Br)s2)cc1"	0	""	""	1	1	9572560	""
"720239"	"720239"	"Methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NC(=O)c3cccs3)ccc2[nH]1"	0	""	""	1	1	404116	""
"720240"	"720240"	"2-Butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide"	"CCCCC(C(=O)N\N=C\c1oc(cc1)[N+](=O)[O-])C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	9572561	""
"720243"	"720243"	"Methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)(=O)NC(CC(C)C)C(=O)OC"	0	""	""	1	1	404120	""
"720245"	"720245"	"Methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NS(=O)(=O)c3cccs3)ccc2[nH]1"	0	""	""	1	1	404122	""
"720248"	"720248"	"Methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1"	0	""	""	1	1	404125	""
"720250"	"720250"	"5-[(2E)-2-[(2,4-Dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one"	"[O-][N+](=O)c1cc2NC(=O)Nc2c(c1N\N=C\c3ccc(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	9572562	""
"720255"	"720255"	"[1-[(E)-(5-Nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol"	"OCc1nc2ccccc2n1\N=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	9572565	""
"720262"	"720262"	"(-)-Huprine Y"	"CC1=C[C@H]2C[C@@H](C1)c3c(N)c4ccc(Cl)cc4nc3C2"	0	""	""	1	1	54608866	""
"720283"	"720283"	"4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole"	"Nc1ccc(cc1C#N)c2nc3c(F)cccc3s2"	0	""	""	1	1	404144	""
"720284"	"720284"	"6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole"	"Nc1ccc(cc1C#N)c2nc3ccc(F)cc3s2"	0	""	""	1	1	404145	""
"720285"	"720285"	"2-(4-amino-3-(phenylacetylenyl)phenyl)benzothiazole"	"Nc1ccc(cc1C#Cc2ccccc2)c3nc4ccccc4s3"	0	""	""	1	1	404146	""
"720286"	"720286"	"2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole"	"C[Si](C)(C)C#Cc1cc(ccc1N)c2nc3ccccc3s2"	0	""	""	1	1	404147	""
"720288"	"720288"	"N-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-o..."	"Cc1ccc(CC(=O)Nc2ccc(NC(=O)\C=C\NC(=O)\C=C\c3ccc(cc3)c4ccccc4)cc2C(=O)c5ccccc5)cc1"	0	""	""	1	1	5472582	""
"720290"	"720290"	"Methyl-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	1	1	404150	""
"720292"	"720292"	"7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-amide-3-s..."	"CC(CCC(=O)N)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	2	2	404152	""
"720293"	"720293"	"N-(n-propyl)-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan..."	"CCCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	4	3	404153	""
"720294"	"720294"	"N-methylen-(methoxycarbonyl)-7.alpha.,12.alpha.-diacetox..."	"COC(=O)CNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5)OC(=O)C"	0	""	""	1	1	404154	""
"720295"	"720295"	"Methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720296"	"720296"	"Methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720297"	"720297"	"Methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(CC6)C(C)(C)C)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720299"	"720299"	"Methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCC6)OO5)OC(=O)C"	0	""	""	1	1	404157	""
"720300"	"720300"	"Methyl-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-oa..."	"COC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCCCC6)OO5)OC(=O)C"	0	""	""	1	1	404158	""
"720303"	"720303"	"N-ethyl 7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-a..."	"CCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720305"	"720305"	"7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-amide-3-s..."	"CC(CCC(=O)N)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720306"	"720306"	"N-ethyl 7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan-24-a..."	"CCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720308"	"720308"	"Fusion protein 59 (FP59) plus Protective Antigen (PA)at ..."	""	0	NA	NA	1	1	NA	""
"720320"	"720320"	"1,6-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5-me..."	"COc1cc2nc(c3c(F)cccc3F)n(Cc4c(F)cccc4F)c2cc1Cc5c(F)cccc5F"	0	""	""	2	2	404168	""
"720321"	"720321"	"1,5-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-6-me..."	"COc1cc2c(cc1Cc3c(F)cccc3F)nc(c4c(F)cccc4F)n2Cc5c(F)cccc5F"	0	""	""	2	2	404169	""
"720322"	"720322"	"1,5-bis-(2-chloro-6-fluorobenzyl)-2-(2-chloro-6-fluoro-p..."	"COc1cc2c(cc1Cc3c(F)cccc3Cl)nc(c4c(F)cccc4Cl)n2Cc5c(F)cccc5Cl"	0	""	""	1	1	404170	""
"720323"	"720323"	"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)benzimida..."	"Oc1ccc(Cn2c(nc3ccccc23)c4ccc(O)c(O)c4)cc1O"	0	""	""	1	1	404171	""
"720325"	"720325"	"11-(4'-Bromobutylidene)-5,6-dihydro-2,3-dimethoxy-6-meth..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCBr)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	10896187	""
"720326"	"720326"	"2-(5,6,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,..."	"COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc3cc4Cc5ccccc5n4n3"	0	""	""	1	1	404173	""
"720329"	"720329"	"Methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate"	"COC(=O)c1c(O)ccc2OC(O)C3(Cc4ccccc4C3=O)c12"	0	""	""	1	1	404178	""
"720336"	"720336"	"Methyl 2-hydroxy-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	404185	""
"720338"	"720338"	"Methyl 2-hydroxy-5-(2-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5OC"	0	""	""	1	1	404187	""
"720340"	"720340"	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	404189	""
"720341"	"720341"	"Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2c5ccc(OC)cc5"	0	""	""	1	1	404190	""
"720343"	"720343"	"Methyl 5-benzyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5"	0	""	""	1	1	404192	""
"720344"	"720344"	"Methyl 2-hydroxy-5-(4-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccc(OC)cc5"	0	""	""	1	1	404193	""
"720345"	"720345"	"4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2)cc1"	0	""	""	1	1	5472587	""
"720346"	"720346"	"4-(4-Hydroxy-phenylazo)-benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)cc2"	0	""	""	1	1	404195	""
"720347"	"720347"	"4-(3,4-Dihydroxy-phenylazo)-benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c(O)c2"	0	""	""	1	1	404196	""
"720352"	"720352"	"4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide"	"CN(C)c1ccc(\C=C\c2ccc(cc2)S(=O)(=O)N)cc1"	0	""	""	1	1	5472593	""
"720354"	"720354"	"4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(O)cc2)cc1"	0	""	""	1	1	5472594	""
"720357"	"720357"	"4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide"	"NS(=O)(=O)c1ccc(\C=C\c2ccc(O)c(O)c2)cc1"	0	""	""	1	1	5472597	""
"720374"	"720374"	"1-(4-nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline"	"Cc1cc2cc3OCOc3cc2c(n1)c4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	404207	""
"720379"	"720379"	"Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate"	"COC(=O)Cc1cc2OCOc2cc1C(=O)c3ccc(N)cc3"	0	""	""	2	2	404212	""
"720382"	"720382"	"2.beta.,3.beta.-Epoxyestr-5(10)-en-1,4,17-trione"	"C[C@]12CCC3C(CCC4=C3C(=O)[C@@H]5O[C@@H]5C4=O)C1CCC2=O"	0	""	""	2	2	404215	""
"720384"	"720384"	"10.beta.-Hydroxy-1.beta.,2.beta.,4.beta.,5.beta.diepoxye..."	"C[C@]12CCC3C(CC[C@]45O[C@H]4C(=O)[C@H]6O[C@H]6[C@]35O)C1CCC2=O"	0	""	""	2	2	404217	""
"720385"	"720385"	"N-(n-propyl)-7.alpha.,12.alpha.-diacetoxy-5.beta.-cholan..."	"CCCNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCC(C)CC6)OO5)OC(=O)C"	0	""	""	1	1	404218	""
"720386"	"720386"	"Methyl-12.alpha.-acetoxy-5.beta.cholan-24-oate-3-spiro-6..."	"COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CCCCC6)OO5"	0	""	""	1	1	404219	""
"720388"	"720388"	"Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7.alpha.,12.alp..."	"COC(=O)CNC(=O)CCC(C)[C@H]1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(=O)C)[C@]12C)OOC6(CC[C@@]7(C)[C@H](C[C@@H](OC(=O)C)C8C9CC[C@H](C(C)CCC(=O)NCC(=O)OC)[C@@]9(C)[C@H](CC78)OC(=O)C)C6)OO5)OC(=O)C"	0	NA	NA	1	1	NA	""
"720413"	"720413"	"6-Ethoxy-2-(3-oxo-5-phenyl-2,3-dihydrofuran-2-yl)-2h-1,4-benzothiazin-3(4h)-one"	"CCOc1ccc2SC(C3OC(=CC3=O)c4ccccc4)C(=O)Nc2c1"	0	""	""	1	1	404234	""
"720416"	"720416"	"Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate"	"CCOC(=O)C(Br)(C(=O)N)C1(O)OC(=C(Br)C1=O)c2ccccc2"	0	""	""	1	1	404238	""
"720421"	"720421"	"(Z)-1-(1,5-Diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one"	"O\C(=C/C(=O)c1ccccc1)\c2cc(c3ccccc3)n(n2)c4ccccc4"	0	""	""	1	1	5472604	""
"720422"	"720422"	"1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one"	"CC(C)(C)C(=O)CC1=Nc2ccccc2SC1(O)CC(=O)C(C)(C)C"	0	""	""	1	1	404244	""
"720425"	"720425"	"3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one"	"Brc1ccc(cc1)C(=O)CC2=NC3CCCCC3NC2=O"	0	""	""	1	1	404247	""
"720426"	"720426"	"TimTec1_002753"	"Cc1ccc(cc1)C(=O)CC2=Nc3ncccc3NC2=O"	0	""	""	1	1	404248	""
"720427"	"720427"	"2-(4-Nitrophenyl)-6-phenyl-5-(phenylcarbonyl)-1,2-dihydropyridazine-3,4-dione"	"[O-][N+](=O)c1ccc(cc1)N2NC(=C(C(=O)c3ccccc3)C(=O)C2=O)c4ccccc4"	0	""	""	1	1	404249	""
"720429"	"720429"	"2-[(2Z)-2-Phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone"	"O=C(CC1=Nc2ccccc2S/C/1=C\C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	5472606	""
"720431"	"720431"	"2-[3-[(Z)-2-Hydroxy-2-phenylethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-phenylethanone"	"O=C(CC1=Nc2cccnc2N/C/1=C\C(=O)c3ccccc3)c4ccccc4"	0	""	""	1	1	135426820	""
"720438"	"720438"	"1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one"	"CC(C)(C)C(=O)CC1(O)OC(O)(CC(=O)C(C)(C)C)C(=C1)O"	0	""	""	1	1	404260	""
"720442"	"720442"	"3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one"	"Cc1ccc(C(=O)\C=C\2/Nc3ccccc3SC2=O)c(C)c1"	0	""	""	1	1	135426822	""
"720444"	"720444"	"2-[3-Oxo-5-phenyl-4-(phenylcarbonyl)furan-2(3h)-ylidene]-1,3-diphenylpropane-1,3-dione"	"O=C(C(=C1OC(=C(C(=O)c2ccccc2)C1=O)c3ccccc3)C(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	404266	""
"720446"	"720446"	"(3Z)-3-[Bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one"	"CN(C)c1ccc(cc1)C(=N\N=C\2/C(=O)Nc3ccccc23)c4ccc(cc4)N(C)C"	0	""	""	3	3	135436345	""
"720447"	"720447"	"STK762189"	"Cc1ccc(cc1)C(=O)\C=C\2/Nc3ccccc3NC2=O"	0	""	""	1	1	135426824	""
"720450"	"720450"	"ZEZNXEJCMWBVFC-UHFFFAOYSA-N"	"O=C(C1=C(N(NC(=O)C1=O)c2ccccc2)c3ccccc3)c4ccccc4"	0	""	""	1	1	404272	""
"720452"	"720452"	"(Z)-2-[3-[(Z)-2-Hydroxy-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-(4-methoxyphenyl)ethenol"	"COc1ccc(cc1)C(=O)\C=C/2\C(\Nc3c(N2)cccn3)=C\C(=O)c4ccc(OC)cc4"	0	""	""	1	1	135426825	""
"720459"	"720459"	"Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"Cc1c(C(=O)OCC=C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	404276	""
"720462"	"720462"	"Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]"	0	""	""	1	1	404279	""
"720465"	"720465"	"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone"	"Cc1c(C(=O)c2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	404284	""
"720468"	"720468"	"2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide"	"CCOC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	404287	""
"720481"	"720481"	"(E)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxy..."	"CO\C=C(\C(=O)OC)/c1ccccc1COc2cccc(c2)C(F)(F)F"	0	""	""	1	1	5472620	"117428134"
"720482"	"720482"	"Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypro..."	"CO\C=C(\C(=O)OC)/c1ccccc1Oc2c(F)c(F)c(F)c(F)c2F"	0	""	""	1	1	5472621	""
"720484"	"720484"	"N-[2-(Dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide"	"COc1ccccc1Cn2c3C(=O)c4ccccc4C(=O)c3c5c(C(=O)NCCN(C)C)c(O)ccc25"	0	""	""	2	1	404302	""
"720485"	"720485"	"5-[(3,5-Dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5c(C(=O)NCCN(C)C)c(O)ccc25)cc(OC)c1"	0	""	""	1	1	404303	""
"720486"	"720486"	"N-[2-(Dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide"	"CN(C)CCNC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2CCc5ccccc5"	0	""	""	4	2	404304	""
"720489"	"720489"	"Ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	404307	""
"720490"	"720490"	"[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate"	"CC(=O)Oc1ccc2c(c1)c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5cccc(C)c5"	0	""	""	1	1	404308	""
"720491"	"720491"	"Methyl 2,6-bis(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3cc4ccccc4c(OC(=O)C)c3n2C"	0	""	""	1	1	404309	""
"720492"	"720492"	"Methyl 2,6,11-tris(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2C"	0	""	""	1	1	404310	""
"720493"	"720493"	"Methyl 2-(acetyloxy)-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	404311	""
"720495"	"720495"	"Methyl 2,6,11-tris(acetyloxy)-5-(3,5-dimethoxybenzyl)-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5cc(OC)cc(OC)c5"	0	""	""	1	1	404313	""
"720497"	"720497"	"Methyl 2,6,11-tris(acetyloxy)-5-benzyl-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)C)ccc2c1c3c(OC(=O)C)c4ccccc4c(OC(=O)C)c3n2Cc5ccccc5"	0	""	""	1	1	404315	""
"720529"	"720529"	"N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,3-dioxalono-buta..."	"CC1(C)OC(C(O1)C(=O)N2CCCCC2)C(=O)Nc3cc4c5ccccc5ccc4c6ccccc36"	0	""	""	2	2	404330	""
"720530"	"720530"	"Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone"	"CC(=O)O[C@H]1[C@H](N(C1=O)c2ccccc2)c3cc4ccccc4c5ccccc35"	0	""	""	1	1	404331	""
"720531"	"720531"	"N,N-(6',12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-bu..."	"CN1CCN(CCCCNc2cc3c4ccccc4c(NCCCCN5CCN(C)CC5)cc3c6ccccc26)CC1"	0	""	""	3	3	404332	""
"720538"	"720538"	"2-(6-(2-imidazolino)-2-benzthiazolyl)-5-(4-(2-imidazolin..."	"C1CN=C(N1)c2ccc(cc2)c3ccc(s3)c4nc5ccc(cc5s4)C6=NCCN6"	0	""	""	3	3	404345	""
"720553"	"720553"	"(NE)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	2	2	9572568	""
"720554"	"720554"	"N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	"CO\N=C(/C)\c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	3	3	9572569	""
"720555"	"720555"	"CIL-102"	"CC(=O)c1ccc(Nc2c3ccoc3nc4ccccc24)cc1"	0	""	""	3	2	404353	""
"720556"	"720556"	"(NE)-N-[1-[3-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	9572570	""
"720557"	"720557"	"N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine"	"CO\N=C(/C)\c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	9572571	""
"720558"	"720558"	"1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	404356	""
"720559"	"720559"	"[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol"	"Nc1cc(CO)cc(Nc2c3ccoc3nc4ccccc24)c1"	0	""	""	1	1	404357	""
"720560"	"720560"	"1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	404358	""
"720561"	"720561"	"(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	9572572	""
"720563"	"720563"	"5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one"	"CC1(CC(=C)C(=O)O1)c2ccc(Nc3nc4ccccc4c5occc35)cc2"	0	""	""	1	1	404361	""
"720564"	"720564"	"1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	404362	""
"720565"	"720565"	"(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	9572574	""
"720566"	"720566"	"N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine"	"CO\N=C(/C)\c1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	9572575	""
"720567"	"720567"	"5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one"	"CC1(CC(=C)C(=O)O1)c2cccc(Nc3nc4ccccc4c5occc35)c2"	0	""	""	1	1	404365	""
"720570"	"720570"	"4-Acridin-9-yloxybenzaldehyde"	"O=Cc1ccc(Oc2c3ccccc3nc4ccccc24)cc1"	0	""	""	1	1	404366	""
"720571"	"720571"	"1-[4-(Acridin-9-yloxy)phenyl]ethanone"	"CC(=O)c1ccc(Oc2c3ccccc3nc4ccccc24)cc1"	0	""	""	2	1	404367	""
"720587"	"720587"	"4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl..."	"COC(=O)c1ccc(\C=N\c2ccc(cc2)S(=O)(=O)N)cc1"	0	""	""	1	1	404376	""
"720590"	"720590"	"4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide"	"COc1cccc(\C=C\c2ccc(cc2)S(=O)(=O)N)c1"	0	""	""	1	1	5472641	""
"720591"	"720591"	"Yuccaol C"	"COc1c(O)cc(\C=C\c2cc(O)cc3OC(=O)[C@]4(C(Oc5cc(O)cc(O)c45)c6cccc(O)c6)c23)cc1O"	0	""	""	1	1	5472642	""
"720592"	"720592"	"Yuccaol A"	"Oc1ccc(\C=C\c2cc(O)cc3OC(=O)[C@@]4(C(Oc5cc(O)cc(O)c45)c6cccc(O)c6)c23)cc1"	0	""	""	1	1	5472643	""
"720597"	"720597"	"Oncocalyxone A"	"COC1=CC(=O)C2=C(C[C@]3(C)[C@H](O)CC=C(CO)C3=C2)C1=O"	0	""	""	1	1	404386	""
"720603"	"720603"	"2-mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzo..."	"CC(C(=O)O)C12CCC3(C)C1CC(OS(=O)(=O)c4ccc5nc(S)sc5c4)C(C)C3C2O"	0	""	""	1	1	5472646	""
"720611"	"720611"	"8-(5-Amino-3-phenyl-1h-pyrazol-1-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc([nH]c2C1=O)n3nc(cc3N)c4ccccc4"	0	""	""	1	1	404394	""
"720612"	"720612"	"8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc([nH]c2C1=O)n3nc(cc3N)c4ccc(C)cc4"	0	""	""	1	1	404395	""
"720614"	"720614"	"8-[5-Amino-3-(4-chlorophenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione"	"CN1C(=O)N(C)c2nc(n(C)c2C1=O)n3nc(cc3N)c4ccc(Cl)cc4"	0	""	""	1	1	404397	""
"720616"	"720616"	"8-[(2E)-2-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione"	"CCCCN1C(=O)CS/C/1=N/Nc2nc3N(C)C(=O)N(C)C(=O)c3[nH]2"	0	""	""	1	1	9572578	""
"720619"	"720619"	"8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione"	"CN1C(=O)N(C)c2nc(N\N=C/3\SCC(=O)N3Cc4ccccc4)n(C)c2C1=O"	0	""	""	1	1	9572581	""
"720622"	"720622"	"4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-..."	"CN(C)c1ccc(\C=C/2\c3cc(ccc3n4c2cc(c5ccccc5)[n+]4C)[N+](=O)[O-])cc1"	0	""	""	3	3	5472651	""
"720623"	"720623"	"11-(4-Dimethylaminobenzyliden)-6-methyl-7,8,9,10-tetrahy..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2c5CCCCc5[n+]4C)cc1"	0	""	""	3	3	5472653	""
"720628"	"720628"	"3-(5-nitro-2-furyl)-2-(benzyl-1,3,4-triazol-2-yl)-acrylo..."	"[O-][N+](=O)c1oc(\C=C(/C#N)\c2nnc(Cc3ccccc3)[nH]2)cc1"	0	""	""	2	2	5472657	""
"720634"	"720634"	"2-benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylam..."	"CN(C)c1cc[n+](cc1)\C(=C(\C#N)/C(=O)c2ccccc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	5472667	""
"720635"	"720635"	"2-(4-chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenyls..."	"CN(C)c1cc[n+](cc1)\C(=C(\C#N)/C(=O)c2ccc(Cl)cc2)\NS(=O)(=O)c3cc(C)c(Cl)cc3S"	0	""	""	1	1	5472669	""
"720637"	"720637"	"Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-di..."	"CCOC(=O)\C(=C(/NS(=O)(=O)c1cc(C)c(Cl)cc1S)\[n+]2ccc(cc2)N(C)C)\C(=O)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	1	1	135436356	""
"720641"	"720641"	"8-chloro-3-(3,5-dimethoxyphenylamino)-7-methyl-1,2,4-tri..."	"COc1cc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)cc(OC)c1"	0	""	""	1	1	404436	""
"720642"	"720642"	"8-chloro-3-phenylamino-7-methoxycarbonyl-1,2,4-triazolo[..."	"COC(=O)c1cc2c(Sc3nnc(Nc4ccccc4)n3S2(=O)=O)cc1Cl"	0	""	""	2	1	404437	""
"720657"	"720657"	"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-"	"CCCCN1C(=S)SC(=C1N)c2oc3ccccc3n2"	0	""	""	1	1	404451	""
"720659"	"720659"	"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-"	"NC1=C(SC(=S)N1c2ccc(Cl)cc2)c3oc4ccccc4n3"	0	""	""	1	1	404453	""
"720673"	"720673"	"[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate"	"CC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)I(OS(=O)(=O)c4ccc(C)cc4)c5ccccc5"	0	""	""	1	1	404461	""
"720674"	"720674"	"Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate"	"COC(=O)C(=P(c1ccccc1)(c2ccccc2)c3ccccc3)I(OS(=O)(=O)c4ccc(C)cc4)c5ccccc5"	0	""	""	1	1	404462	""
"720688"	"720688"	"16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride"	"COc1ccc2N3C(=O)N(CCN(C)C)C(=O)c4ccc5c(c34)c(nn5CCN6CCCCC6)c2c1"	0	""	""	3	2	404463	""
"720689"	"720689"	"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride"	"CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3C(=O)c4ccccc4Nc23)c5Nc6ccccc6C(=O)c15"	0	""	""	3	3	439097	""
"720690"	"720690"	"Paracymene-ruthenium(II)-1,3,5-triaza-7-phosphaadamantan..."	"[R][Ru+2]([ClH-])([ClH-])P12CN3CN(CN(C3)C1)C2.CC(C)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"720700"	"720700"	"(2r,3r)-2,3-Bis[(benzyloxy)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"O=C1C=CC2(O[C@H](COCc3ccccc3)[C@@H](COCc4ccccc4)O2)C=C1"	0	""	""	1	1	404468	""
"720702"	"720702"	"(2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc4ccccc4)O2)C=C1"	0	""	""	2	2	404470	""
"720703"	"720703"	"(2s,3s)-2,3-Bis(2-methoxybenzyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"COc1ccccc1C[C@@H]2OC3(O[C@H]2Cc4ccccc4OC)C=CC(=O)C=C3"	0	""	""	1	1	404471	""
"720704"	"720704"	"(2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one"	"COc1ccc(C[C@@H]2OC3(O[C@H]2Cc4ccc(OC)cc4)C=CC(=O)C=C3)cc1"	0	""	""	2	2	404472	""
"720706"	"720706"	"S-[(2R,3R)-8-Oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@@H]([C@H](O2)c3ccccc3)c4ccccc4)c5ccccc5"	0	""	""	1	1	404474	""
"720707"	"720707"	"S-[(2S,3S)-2,3-Dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@@H](Cc3ccccc3)[C@H](Cc4ccccc4)O2)c5ccccc5"	0	""	""	1	1	404475	""
"720708"	"720708"	"S-[(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"COc1ccccc1C[C@@H]2OC3(O[C@H]2Cc4ccccc4OC)C=CC(=O)CC3SC(=O)c5ccccc5"	0	""	""	1	1	404476	""
"720709"	"720709"	"(2s,3s)-2,3-Bis(4-methoxybenzyl)-10-(phenylsulfanyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one"	"COc1ccc(C[C@@H]2OC3(O[C@H]2Cc4ccc(OC)cc4)C=CC(=O)CC3Sc5ccccc5)cc1"	0	""	""	1	1	404477	""
"720710"	"720710"	"S-[(2R,3R)-2,3-Dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate"	"O=C(SC1CC(=O)C=CC12O[C@H](C3CCCCC3)[C@H](O2)C4CCCCC4)c5ccccc5"	0	""	""	2	2	404478	""
"720715"	"720715"	"Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccn5"	0	""	""	1	1	404479	""
"720716"	"720716"	"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3cc4ccccc4cc3n2Cc5cc(OC)cc(OC)c5"	0	""	""	2	2	404480	""
"720719"	"720719"	"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3cc4ccccc4c(O)c3n2CCc5ccc(OC)c(OC)c5"	0	""	""	1	1	404483	""
"720720"	"720720"	"Methyl 5-(2-chlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5Cl"	0	""	""	1	1	404484	""
"720722"	"720722"	"Methyl 5-ethyl-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate"	"CCn1c2ccc(O)c(C(=O)OC)c2c3cc4ccccc4c(O)c13"	0	""	""	1	1	404486	""
"720724"	"720724"	"Naphtho[2,3-b][1]benzofuran-2,6-diol"	"Oc1ccc2oc3c(O)c4ccccc4cc3c2c1"	0	""	""	1	1	404488	""
"720725"	"720725"	"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione"	"COc1cc(Cn2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25)cc(OC)c1"	0	""	""	1	1	404489	""
"720726"	"720726"	"2-Hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4C(=O)c3c5cc(O)ccc25"	0	""	""	1	1	404490	""
"720727"	"720727"	"1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione"	"COc1ccc(cc1)n2c3C(=O)c4ccccc4C(=O)c3c5c(CN(C)C)c(O)ccc25"	0	""	""	1	1	404491	""
"720732"	"720732"	"6,7-dimethyl-1,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-])c(C)[n+]2[O-]"	0	""	""	1	1	404496	""
"720742"	"720742"	"2-Methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate"	"CCCCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)OCC(C)C)cc2)s1"	0	""	""	1	1	404505	""
"720760"	"720760"	"STK741596"	"Oc1ccc(Cl)cc1\C=N\C2=CNC(=O)NC2=O"	0	""	""	1	1	404523	""
"720765"	"720765"	"Methyl (E)-O-methyloxyimino-2-[2-(trifluoromethyl)phenox..."	"CO\N=C(\C(=O)OC)/c1ccccc1COc2ccccc2C(F)(F)F"	0	""	""	1	1	6520923	"248582732"
"720792"	"720792"	"4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylam..."	"CN(C)CCCNC(=O)c1cc2\C(=C/c3ccc(cc3)N(C)C)\c4ccccc4n2[n+]1C"	0	""	""	1	1	5472693	""
"720793"	"720793"	"4-(4-Dimethylaminobenzyliden-1-methyl-2-[N'-(3-trimethyl..."	"CN(C)c1ccc(\C=C/2\c3ccccc3n4c2cc(NC(=O)NCCC[N+](C)(C)C)[n+]4C)cc1"	0	""	""	1	1	5472695	""
"720795"	"720795"	"Dehydrobrachylaenolide"	"C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)C(=O)C=C2"	0	""	""	1	1	404548	""
"720800"	"720800"	"2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate"	"COCCOC(=O)c1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]"	0	""	""	1	1	404550	""
"720812"	"720812"	"Rhuschalcone I"	"COc1ccc(C(=O)\C=C\c2ccc(Oc3cc(C(=O)\C=C\c4ccc(O)cc4)c(O)cc3OC)cc2)c(O)c1"	0	""	""	1	1	5472697	""
"720841"	"720841"	"massoia lactone"	"CCCCCC1CC=CC(=O)O1"	0	""	""	1	1	39914	""
"720858"	"720858"	"(5Z)-3-bromo-5-[(4-hydroxyphenyl)methylene]-4-(3-chloro-..."	"Oc1ccc(\C=C\2/OC(=O)C(=C2c3ccc(O)c(Cl)c3)Br)cc1"	0	""	""	1	1	5472705	""
"720859"	"720859"	"3,3',5,5'-tetramethyl-N,N-Bis(pyrazol-1-ylmethyl)aniline"	"Cc1cc(C)n(CN(Cn2nc(C)cc2C)c3ccccc3)n1"	0	""	""	1	1	404563	""
"720860"	"720860"	"3,3'-dimethoxycarbonyl-5,5'-dimethyl-N,N-Bis(pyrazol-1-y..."	"COC(=O)c1cc(C)n(CN(Cn2nc(cc2C)C(=O)OC)c3ccccc3)n1"	0	""	""	1	1	404564	""
"720861"	"720861"	"3,3'-dimethoxycarbonyl-5,5'-dimethyl-N,N-Bis(pyrazol-1-y..."	"COC(=O)c1cc(C)n(CN(Cc2ccccc2)Cn3nc(cc3C)C(=O)OC)n1"	0	""	""	2	1	404565	""
"720862"	"720862"	"3,3',5,5'-tetra-methyl-N,N-Bis(pyrazol-1-ylmethyl)cycloh..."	"Cc1cc(C)n(CN(Cn2nc(C)cc2C)C3CCCCC3)n1"	0	""	""	1	1	404566	""
"720865"	"720865"	"4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-but..."	"Cc1cc(C)n(CN(CCCCO)Cn2nc(C)cc2C)n1"	0	""	""	1	1	404569	""
"720872"	"720872"	"3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one"	"COc1ccc(CC2COc3cc(O)cc(O)c3C2=O)cc1O"	0	""	""	1	1	404571	""
"720873"	"720873"	"3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one"	"COc1c(O)cc2OCC(Cc3ccc(O)cc3)C(=O)c2c1O"	0	""	""	1	1	404572	""
"720874"	"720874"	"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one"	"COc1ccc(CC2COc3cc(OC)cc(OC)c3C2=O)cc1"	0	""	""	1	1	404573	""
"720934"	"720934"	"2-[3,4,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quin..."	"COc1cc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	404585	""
"720935"	"720935"	"2-[4-(methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline"	"COc1ccc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	404586	""
"720936"	"720936"	"2-[[3,5-(dimethoxy)phenoxy]amminomethyl]-3-phenyl-5,7-di..."	"COc1cc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	404587	""
"720946"	"720946"	"[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate"	"CCCCCC(C)(C)CCC(=O)OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O"	0	""	""	1	1	404590	""
"720985"	"720985"	"Ethyl 5-hydroxy-1,2-dimethyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(C)c2c1cc(O)c3[nH]c4CCCCc4c23"	0	""	""	1	1	404593	""
"720986"	"720986"	"Ethyl 1-benzyl-5-hydroxy-2-methyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	404594	""
"720987"	"720987"	"Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=C4C(=O)N(C(=O)C134)c5ccccc5)Nc6ccc(Cl)cc6"	0	""	""	1	1	404595	""
"720989"	"720989"	"9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione"	"COC1CC(=O)C2C(=O)N(C(=O)C23C(=C(C)NC13O)C(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	404597	""
"720991"	"720991"	"Ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	2	1	404599	""
"720992"	"720992"	"Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	404600	""
"720993"	"720993"	"Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	404601	""
"720995"	"720995"	"1-Acetyl-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione"	"CC(=O)c1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	2	1	404603	""
"721019"	"721019"	"3,4-Diacetoxyestra-1,3,5(10),9(11)-tetraen-17-one"	"CC(=O)Oc1ccc2C3=CC[C@@]4(C)C(CCC4=O)C3CCc2c1OC(=O)C"	0	""	""	1	1	404608	""
"721037"	"721037"	"1-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone"	"CC(=O)c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	404609	""
"721038"	"721038"	"1-{3-[(2-Chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}ethanone"	"CC(=O)c1cccc(Nc2nc3ccc(Cl)cc3c4[nH]c5ccccc5c24)c1"	0	""	""	2	2	404610	""
"721039"	"721039"	"{3-Amino-5-[(2-chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}methanol"	"Nc1cc(CO)cc(Nc2nc3ccc(Cl)cc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	404611	""
"721040"	"721040"	"(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	2	1	9572584	""
"721041"	"721041"	"N-[3-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine"	"CO\N=C(\C)/c1cccc(Nc2nc3ccccc3c4[nH]c5ccccc5c24)c1"	0	""	""	1	1	9572585	""
"721045"	"721045"	"9-[(2E)-2-(4-Chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione"	"O\N=C(\COc1ccc2C(=O)C3=C(Oc2c1)C(=O)Oc4ccccc34)/c5ccc(Cl)cc5"	0	""	""	1	1	9572588	""
"721046"	"721046"	"1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4(1h)-one"	"Oc1ccc(cc1)C2=CC(=O)c3ccccc3N2C4CC4"	0	""	""	1	1	404618	""
"721047"	"721047"	"1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4(1h)-one"	"COc1ccccc1C2=CC(=O)c3ccccc3N2C4CC4"	0	""	""	1	1	404619	""
"721049"	"721049"	"7Z-Plakortide H"	"CC\C=C\C(CC)C\C(=C/[C@]1(CC)C[C@H](CC)[C@H](CC(=O)O)OO1)\C"	0	""	""	1	1	5472712	""
"721051"	"721051"	"12-epi-eupalmerone"	"C[C@@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)C1=O)\C"	0	""	""	1	1	5472714	""
"721052"	"721052"	"Uprolide H"	"C[C@@H]1CCC[C@@](C)(O)\C=C/C[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3=C)C1=O"	0	""	""	1	1	54611651	""
"721054"	"721054"	"Elisabatin C"	"CC(=Cc1cc(C)c2c(O)cc(C)c3C(=O)C(=C(C)c1c23)O)C"	0	""	""	1	1	404626	""
"721059"	"721059"	"3.beta.-Pregna-5,20-diene-.beta.-D-xylopyranoside"	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC5OCC(O)C(O)C5O)[C@@H]1CC[C@@H]2C=C"	0	""	""	1	1	404631	""
"721062"	"721062"	"3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine"	"COc1ccc(cc1)C2CC(=Nc3c(nnn23)c4ccccc4)c5ccccc5"	0	""	""	1	1	404634	""
"721064"	"721064"	"CBDivE_004393"	"N1C(=CC(c2ccccc2)n3nnnc13)c4ccccc4"	0	""	""	1	1	404636	""
"721065"	"721065"	"STL045647"	"COc1ccc(cc1)C2C=C(Nc3nnnn23)c4ccccc4"	0	""	""	1	1	404637	""
"721067"	"721067"	"3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline"	"C1CCC2=C(C1)Nc3c(nnn3C2c4ccccc4)c5ccccc5"	0	""	""	1	1	404639	""
"721068"	"721068"	"STK008961"	"C1CCC2=C(C1)Nc3nnnn3C2c4ccccc4"	0	""	""	1	1	404640	""
"721070"	"721070"	"STK010335"	"COc1ccc(cc1)C2C3=C(Nc4ncnn24)c5ccccc5OC3c6ccccc6"	0	""	""	1	1	404642	""
"721074"	"721074"	"1.beta.,2.alpha.,3.beta.,11.alpha.,-Tetrahydroxy-urs-12-ene"	"C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C"	0	""	""	1	1	404646	""
"721075"	"721075"	"claritin"	"CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1"	0	""	"FDA approved"	1	1	NA	"79794755"
"721080"	"721080"	"2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	"C1N2C=Cc3ccccc3C2=Nc4c5ccccc5cc[n+]14"	0	""	""	1	1	404653	""
"721081"	"721081"	"10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide"	"BrC1=CN2C[n+]3cc(Br)c4ccccc4c3N=C2c5ccccc15"	0	""	""	1	1	404655	""
"721082"	"721082"	"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide"	"CN1C2=Nc3[n+](CN2c4ccccc14)c5ccccc5n3C"	0	""	""	1	1	404657	""
"721083"	"721083"	"10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide"	"C1N2C(=Nc3sc4ccccc4[n+]13)Sc5ccccc25"	0	""	""	1	1	404659	""
"721084"	"721084"	"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide"	"COc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(OC)ccc45"	0	""	""	1	1	404661	""
"721095"	"721095"	"(4-Aminophenyl)(6-methyl-1,3-benzodioxol-5-yl)methanone"	"Cc1cc2OCOc2cc1C(=O)c3ccc(N)cc3"	0	""	""	1	1	404671	""
"721116"	"721116"	"5-Hydroxy-2-(hydroxymethyl)-1-[2-(1h-indol-3-yl)ethyl]pyridin-4(1h)-one"	"OCC1=CC(=O)C(=CN1CCc2c[nH]c3ccccc23)O"	0	""	""	1	1	404677	""
"721120"	"721120"	"3-(Benzyloxy)-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(OCc2ccccc2)C(=O)C=CN1CCc3c[nH]c4ccccc34"	0	""	""	1	1	404681	""
"721124"	"721124"	"3-Hydroxy-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(O)C(=O)C=CN1CCc2c[nH]c3ccccc23"	0	""	""	1	1	404685	""
"721125"	"721125"	"1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4(1h)-one"	"COc1ccc(CCN2C=CC(=O)C(=C2C)O)cc1OC"	0	""	""	1	1	404686	""
"721126"	"721126"	"3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4(1h)-one"	"CC1=C(O)C(=O)C=CN1CCc2ccc(O)cc2"	0	""	""	1	1	404687	""
"721127"	"721127"	"2-[(2-Aminophenoxy)methyl]-5-(benzyloxy)-4h-pyran-4-one"	"Nc1ccccc1OCC2=CC(=O)C(=CO2)OCc3ccccc3"	0	""	""	1	1	404688	""
"721132"	"721132"	"3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piper..."	"CCCN1C\C(=C/c2ccc(O)c(OC)c2)\C(=O)\C(=C\c3ccc(O)c(OC)c3)\C1"	0	""	""	1	1	2053069	""
"721140"	"721140"	"5-(p-chlorophenyl)-6,7-dihidrotieno(2,3-c)pyridin-7-one"	"Clc1ccc(cc1)C2=Cc3ccsc3C(=O)N2"	0	""	""	1	1	404696	""
"721153"	"721153"	"4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium triflu..."	"C[n+]1ccc2\C(=C/C#N)\c3ccccc3n12"	0	""	""	1	1	5472727	""
"721154"	"721154"	"11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]ind..."	"COc1ccc2c(c1)\C(=C\C#N)\c3c4ccccc4[n+](C)n23"	0	""	""	2	2	5472729	""
"721179"	"721179"	"N-acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglut..."	"CC(NC(=O)COC1C(O)C(CO)OC(OCc2ccccc2)C1NC(=O)C)C(=O)NC(CCC(=O)OCCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)N"	0	""	""	1	1	404710	""
"721184"	"721184"	"3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4..."	"Oc1ccc(cc1)N2C(=O)c3cc(I)ccc3N=C2c4cccs4"	0	""	""	1	1	404713	""
"721187"	"721187"	"N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))be..."	"Ic1ccc2N=C(N(NC(=O)c3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	404716	""
"721191"	"721191"	"4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzene..."	"NS(=O)(=O)c1ccc(cc1)N2C(=O)c3cc(I)ccc3N=C2c4cccs4"	0	""	""	1	1	404720	""
"721196"	"721196"	"6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one"	"Ic1ccc2N=C(N(Nc3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	404725	""
"721273"	"721273"	"4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline"	"CCSc1nc(nc2ccc(I)cc12)c3cccs3"	0	""	""	1	1	404775	""
"721276"	"721276"	"N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(p..."	"Ic1ccc2N=C(N(NC(=O)Nc3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	404778	""
"721279"	"721279"	"3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazol..."	"Ic1ccc2N=C(N(\N=C\c3ccccc3)C(=O)c2c1)c4cccs4"	0	""	""	1	1	9572590	""
"721294"	"721294"	"Distomadine A"	"NC(=N)NCCC1OC(=O)C2=C1c3c(O)ccc4nccc(O2)c34"	0	""	""	1	1	10087738	""
"721297"	"721297"	"[Au(terpy)Cl]Cl2]"	"[Cl-].[ClH-][Au+3]12[n+]3ccccc3c4cccc(c5cccc[n+]15)[n+]24"	0	NA	NA	1	1	NA	""
"721316"	"721316"	"N-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethana..."	"NNC(=O)COc1nc(nc2ccc(I)cc12)c3cccs3"	0	""	""	1	1	404798	""
"721318"	"721318"	"4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)be..."	"NS(=O)(=O)c1ccc(CNc2nc(nc3ccc(I)cc23)c4cccs4)cc1"	0	""	""	1	1	404800	""
"721319"	"721319"	"((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)..."	"Ic1ccc2nc(nc(Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)c2c1)c5cccs5"	0	""	""	3	2	404801	""
"721333"	"721333"	"2-S-dimethylarsino-2-thiobenzoic acid"	"C[As](C)Sc1ccccc1C(=O)O"	0	""	""	2	2	404813	""
"721381"	"721381"	"O-Methyl antimycin A1"	"CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2OC)[C@@H](C)OC1=O.CCCCCC[C@@H]3[C@@H](OC(=O)C(C)CC)[C@H](C)OC(=O)[C@@H](NC(=O)c4cccc(NC=O)c4OC)[C@@H](C)OC3=O"	0	""	""	1	1	404835	"118890383"
"721382"	"721382"	"Tremulacin"	"OCC1OC(Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)C(OC(=O)c4ccccc4)C(O)C1O"	0	""	""	1	1	404838	""
"721385"	"721385"	"5-fluoro-2'-deoxyuridyl 5-nitrofuryl N-methyl-N-(4-chlor..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	404841	""
"721386"	"721386"	"5-Fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl N-..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCC3=CC(=O)c4ccccc4C3=O"	0	""	""	2	2	404842	""
"721387"	"721387"	"5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquino..."	"COC1=CC(=O)c2c(cc(COP(=O)(OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)N(C)CCCCCl)n2C)C1=O"	0	""	""	2	2	404843	""
"721388"	"721388"	"5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobu..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	404844	""
"721389"	"721389"	"2',3'-Dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl N-..."	"CN(CCCCCl)P(=O)(OCC1OC(C=C1)N2C=C(C)C(=O)NC2=O)OCC3=CC(=O)c4ccccc4C3=O"	0	""	""	1	1	404845	""
"721390"	"721390"	"2',3'-dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl N-..."	"CN(CCCCCl)P(=O)(OCC1OC(C=C1)N2C=C(C)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	404846	""
"721391"	"721391"	"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(OP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	2	2	404847	""
"721392"	"721392"	"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(OP(=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c4ccc(OCC5CCCCC5)c(c4)C(=O)N"	0	""	""	1	1	404848	""
"721393"	"721393"	"5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)C(Cc1ccc(OP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)NC(=O)C)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	1	1	404849	""
"721395"	"721395"	"5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide"	"CC(NC(=O)c1ccc(NP(=O)(OCc2oc(cc2)[N+](=O)[O-])N(C)CCCCCl)cc1)c3ccc(OCC4CCCCC4)c(c3)C(=O)N"	0	""	""	1	1	404851	""
"721398"	"721398"	"5-hydroxy-6, 7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone"	"COc1cc2OCC(Cc3ccc(O)cc3)C(=O)c2c(O)c1OC"	0	""	""	1	1	404854	""
"721400"	"721400"	"5-hydroxy-3',4', 7-trimethoxyspiro{2H-1-benzopyran, 7'-b..."	"COc1cc(O)c2C(=O)C3(COc2c1)Cc4cc(OC)c(OC)cc34"	0	""	""	1	1	404856	""
"721402"	"721402"	"5, 6, 7-trihydroxy-3', 4'-dimethoxyspiro{2H-1-benzopyran..."	"COc1cc2CC3(COc4cc(O)c(O)c(O)c4C3=O)c2cc1OC"	0	""	""	1	1	404858	""
"721403"	"721403"	"1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina"	"CC(=O)c1c(CBr)[n+]([O-])c2ccccc2[n+]1[O-]"	0	""	""	1	1	404859	""
"721513"	"721513"	"2-(N,N-bis(2-bromoethyl)phosphorodiamidoxy)methyl-1-meth..."	"COC1=CC(=O)c2c(cc(COP(=O)(N)N(CCBr)CCBr)n2C)C1=O"	0	""	""	1	1	404935	""
"721514"	"721514"	"2-(N,N-bis(2-chloroethyl)phosphorodiamidoxy)methyl-1-met..."	"COC1=CC(=O)c2c(cc(COP(=O)(N)N(CCCl)CCCl)n2C)C1=O"	0	""	""	2	2	404936	""
"721515"	"721515"	"3-acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione"	"COC1=CC(=O)c2c(C1=O)c(COC(=O)C)cn2C"	0	""	""	1	1	404937	""
"721517"	"721517"	"Zoledronate"	"OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O"	0	"AM|NonCan:Anti-bone resorp"	"FDA approved"	2	1	68740	"118072938"
"721531"	"721531"	"4-Amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Nc1c([nH]c(Nc2ccc(Cl)cc2)c1C(=S)Nc3ccccc3)C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	5472776	""
"721535"	"721535"	"4-Amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Nc1c([nH]c(NCc2ccccc2)c1C(=S)Nc3ccccc3)C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	5472780	""
"721554"	"721554"	"4-Amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide"	"Cc1ccc(cc1)C(=O)c2[nH]c(Nc3ccc(Cl)cc3)c(C(=S)Nc4ccccc4)c2N"	0	""	""	1	1	5472799	""
"721605"	"721605"	"2-(4-Ethyl)piperazinyl,3-(3',4'-dimethoxy)benzoyl Quinox..."	"CCN1CCN(CC1)c2nc3ccccc3nc2C(=O)c4ccc(OC)c(OC)c4"	0	""	""	1	1	404974	""
"721610"	"721610"	"Malyngamide S"	"CCCCC[C@@H](C\C=C\CCC(=O)NC\C(=C\Cl)\[C@H]1C(=O)C(C)(C)C(=O)[C@@H](C)[C@@]1(C)O)OC"	0	""	""	1	1	643654	""
"721618"	"721618"	"lissoclinolide tetrenolin"	"OC\C=C\C=C\1/OC(=O)C(=C1)\C=C\CO"	0	""	""	1	1	5472800	""
"721619"	"721619"	"protoleucomelone"	"CC(=O)Oc1ccc(cc1)c2c(OC(=O)C)c(OC(=O)C)c(c(OC(=O)C)c2OC(=O)C)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	""	""	1	1	404979	""
"721620"	"721620"	"[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate"	"CCC(C)C1=C(O)[N+]2([O-])Oc3ccc(cc3OC2(C(C)CC)C(=O)N1O)c4c(O)c(O)c(c(OC(=O)C)c4OC(=O)C)c5ccc(O)cc5"	0	""	""	1	1	404980	""
"721621"	"721621"	"sarcodonin peracetate"	"CC[C@H](C)C1=C(OC(=O)C)[N+]2([O-])Oc3ccc(cc3O[C@]2([C@@H](C)CC)C(=O)N1OC(=O)C)c4c(OC(=O)C)c(OC(=O)C)c(c(OC(=O)C)c4OC(=O)C)c5ccc(OC(=O)C)cc5"	0	""	""	1	1	404981	""
"721644"	"721644"	"5-Fluoro-2-(3-hydroxyphenyl)benzothiazole"	"Oc1cccc(c1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	404991	""
"721645"	"721645"	"5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole"	"COc1ccc(cc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	404992	""
"721646"	"721646"	"5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole"	"COc1cc(ccc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	404993	""
"721647"	"721647"	"5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole"	"CCOc1cc(ccc1O)c2nc3cc(F)ccc3s2"	0	""	""	1	1	404994	""
"721650"	"721650"	"5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole"	"COc1cc(OC)cc(c1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	404996	""
"721651"	"721651"	"6-Methoxy-2-(4-hydroxyphenyl)benzothiazole"	"COc1ccc2nc(sc2c1)c3ccc(O)cc3"	0	""	""	1	1	404997	""
"721655"	"721655"	"6-Chloro-2-(4-hydroxyphenyl)benzothiazole"	"Oc1ccc(cc1)c2nc3ccc(Cl)cc3s2"	0	""	""	1	1	405001	""
"721657"	"721657"	"6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole"	"CCOc1ccc2nc(sc2c1)c3ccc(O)cc3"	0	""	""	1	1	405003	""
"721659"	"721659"	"4-Methyl-2-(4-hydroxyphenyl)benzothiazole"	"Cc1cccc2sc(nc12)c3ccc(O)cc3"	0	""	""	1	1	405005	""
"721660"	"721660"	"5-Fluoro-2-(4-hydroxyphenyl)benzothiazole"	"Oc1ccc(cc1)c2nc3cc(F)ccc3s2"	0	""	""	1	1	405006	""
"721662"	"721662"	"4-Benzothiazol-2-yl-2-ethynyl-phenylamine"	"Nc1ccc(cc1C#C)c2nc3ccccc3s2"	0	""	""	1	1	405007	""
"721685"	"721685"	"4-N-(3-Chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine"	"COc1ccccc1\C=C\c2c(N)ncnc2Nc3cccc(Cl)c3"	0	""	""	1	1	5472820	""
"721878"	"721878"	"5-Acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide"	"CC(=O)c1[nH]c(NCc2ccccc2)c(C(=S)Nc3ccccc3)c1N"	0	""	""	1	1	5472829	""
"721879"	"721879"	"5-Acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide"	"CCCNc1[nH]c(C(=O)C)c(N)c1C(=S)Nc2ccccc2"	0	""	""	1	1	5472830	""
"721880"	"721880"	"5-Acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide"	"CC(C)Nc1[nH]c(C(=O)C)c(N)c1C(=S)Nc2ccccc2"	0	""	""	1	1	5472831	""
"721951"	"721951"	"darinaparsin pyridinium hyrochloride"	"[Cl-].C[As](C)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O.c1ccncc1"	0	""	""	3	2	405069	""
"721952"	"721952"	"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione"	"[O-][N+](=O)c1ccc(cc1)C(=O)CC(C2C(=O)NC(=O)NC2=O)c3ccccc3"	0	""	""	1	1	405071	""
"721957"	"721957"	"5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]pyrimidine-2,4,6(1h,3h,5h)-trione"	"Clc1ccc(cc1)C(CC(=O)c2ccc(Cl)cc2)C3C(=O)NC(=O)NC3=O"	0	""	""	1	1	405076	""
"721965"	"721965"	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione"	"COc1ccc(cc1)C(CC(=O)c2ccccc2)C(C(C3C(=O)NC(=O)NC3=O)c4ccc(OC)cc4)C(=O)c5ccccc5"	0	""	""	1	1	405084	""
"721966"	"721966"	"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione"	"COc1ccc(cc1)C(CC(=O)c2ccccc2)C(C(C3C(=O)NC(=S)NC3=O)c4ccc(OC)cc4)C(=O)c5ccccc5"	0	""	""	1	1	5472840	""
"721970"	"721970"	"7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"Clc1ccccc1C2CC(=O)CC(c3ccccc3Cl)C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	405089	""
"721971"	"721971"	"7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione"	"Clc1ccccc1C2CC(=O)CC(c3ccccc3Cl)C24C(=O)NC(=S)NC4=O"	0	""	""	1	1	5472843	""
"721972"	"721972"	"7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone"	"[O-][N+](=O)c1cccc(c1)C2CC(=O)CC(c3cccc(c3)[N+](=O)[O-])C24C(=O)NC(=O)NC4=O"	0	""	""	1	1	405091	""
"722052"	"722052"	"(-)-Dibenzylnortrachelogenin"	"COc1cc(C[C@H]2COC(=O)[C@]2(O)Cc3ccc(OCc4ccccc4)c(OC)c3)ccc1OCc5ccccc5"	0	""	""	1	1	405098	""
"722054"	"722054"	"8,8'-(3,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton"	"COc1cccc(C[C@H]2COC(=O)[C@]2(O)Cc3cccc(OC)c3)c1"	0	""	""	1	1	405100	""
"722061"	"722061"	"4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobe..."	"Clc1ccc(NS(=O)(=O)NC(=O)OCc2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	405107	""
"722066"	"722066"	"Dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate"	"COC(=O)c1cc2CCC3C(C)(C)CCC[C@]3(C)c2cc1C(=O)OC"	0	""	""	1	1	405112	""
"722071"	"722071"	"(1R,3R,6Z,10E,14R)-6,10,14-Trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one"	"CC(=C)[C@@H]1C[C@H]2O[C@]2(C)CC\C=C(/C)\CC\C=C(\C)/C(=O)C1"	0	""	""	1	1	5472849	""
"722077"	"722077"	"(3As,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one"	"C[C@H](CCCC(=O)C)[C@@H]1O[C@@H](C[C@@H]2[C@H]1OC(=O)C2=C)[C@@]3(C)CCC(=O)O3"	0	""	""	1	1	405122	""
"722115"	"722115"	"N-Cyclohexyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazi..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	405123	""
"722134"	"722134"	"Sonolisib"	"COC[C@H]1OC(=O)\C(=C/N(CC=C)CC=C)\C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(=O)C)[C@@]12C"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"1351998838"
"722162"	"722162"	"1-p-chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine"	"NC1=NC(=S)N(c2ccc(Cl)cc2)c3nc4ccccc4cc13"	0	""	""	1	1	5472852	""
"722170"	"722170"	"2-(4-methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[..."	"COc1ccc(cc1)c2nc3ncccn3c2c4ccc(SC)cc4"	0	""	""	1	1	405133	""
"722175"	"722175"	"2-[[4-(methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammin..."	"COc1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	405138	""
"722176"	"722176"	"2-[3,5-(dimethoxy)phenoxy]-3-phenyl-5,7-diammino quinoxa..."	"COc1cc(OC)cc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)c1"	0	""	""	1	1	405139	""
"722177"	"722177"	"2-[3,5-(dimethoxy)anilino]-3-phenyl-5,7-diammino quinoxa..."	"COc1cc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	405140	""
"722211"	"722211"	"N-(4-Fluoro-3-nitrophenyl)sydnone"	"Oc1on[n+](c1)c2ccc(F)c(c2)[N+](=O)[O-]"	0	""	""	1	1	405167	""
"722212"	"722212"	"N-(4-Chloro-3-nitrophenyl)sydnone"	"Oc1on[n+](c1)c2ccc(Cl)c(c2)[N+](=O)[O-]"	0	""	""	1	1	405169	""
"722216"	"722216"	"Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt"	"Oc1ccccc1\C=C\C(=O)\C=C\c2ccccc2O"	0	""	""	1	1	54611557	""
"722218"	"722218"	"Varacin trifluoroacetate salt"	"COc1cc(CCN)c2SSSSSc2c1OC"	0	""	""	2	2	54611558	""
"722219"	"722219"	"(+-)-2,2-Dimethylpropionic acid (Z)-{2-(hydroxymethyl)-4..."	"CC(C)CC(C\C=C/1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C"	0	NA	NA	2	2	NA	""
"722222"	"722222"	"1H-Pyrimido[4,5-b]quinoline-2,4-dithione"	"S=C1NC(=S)c2cc3ccccc3nc2N1"	0	""	""	1	1	5472868	""
"722307"	"722307"	"1-O-Octadecyl-(2->5')-(3'-C-ethinylcytidylyl)-(3->5')-(5..."	"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N"	0	NA	NA	3	2	NA	""
"722308"	"722308"	"N4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-..."	"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(C(O)C3(O)C#C)N4C=CC(=NC4=O)N)C(O)C2O"	0	""	""	3	2	405222	""
"722315"	"722315"	"N-[(E)-1-Quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2[nH]1)\c3ccc4ccccc4n3"	0	""	""	1	1	9572606	""
"722316"	"722316"	"1-Methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine"	"C\C(=N/Nc1nc2ccccc2n1C)\c3ccc4ccccc4n3"	0	""	""	2	2	9572607	""
"722317"	"722317"	"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine"	"C\C(=N/Nc1oc2ccccc2n1)\c3ccc4ccccc4n3"	0	""	""	1	1	9572608	""
"722318"	"722318"	"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine"	"C\C(=N/Nc1nc2ccccc2s1)\c3ccc4ccccc4n3"	0	""	""	1	1	9572609	""
"722321"	"722321"	"N'-[5-Cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(cc2)[N+](=O)[O-])NNC(=O)C"	0	""	""	1	1	5472891	""
"722325"	"722325"	"2-[(2E)-2-Benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(cc2)[N+](=O)[O-])N\N=C\c3ccccc3"	0	""	""	1	1	9572610	""
"722326"	"722326"	"4-(1,3-Benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc3OCOc3c2)N\N=C\c4ccccc4"	0	""	""	1	1	9572611	""
"722327"	"722327"	"4-(4-Chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile"	"CN1C(=NC(=C(C#N)C1=O)c2ccc(Cl)cc2)N\N=C\c3ccc(Cl)cc3"	0	""	""	1	1	9572612	""
"722336"	"722336"	"2-(3',3'-Dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CC(C)(C)C"	0	""	""	1	1	405235	""
"722337"	"722337"	"2-(5'-Cyanopent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CCCCC#N"	0	""	""	1	1	405236	""
"722338"	"722338"	"2-Cyclohexylethynyl-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CC2CCCCC2"	0	""	""	1	1	405237	""
"722339"	"722339"	"2-[2'-(1''-Hydroxycyclohex-1''-yl)-ethynyl]-4,6-dimethox..."	"COc1nc(OC)nc(n1)C#CC2(O)CCCCC2"	0	""	""	1	1	405238	""
"722340"	"722340"	"2-(4'-Hydroxypent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine"	"COc1nc(OC)nc(n1)C#CCC(C)O"	0	""	""	1	1	405239	""
"722341"	"722341"	"2-(3'-Hydroxy-3'-methylbut-1'-ynyl)-4,6-di-(4''-methoxyp..."	"COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(n2)C#CC(C)(C)O)cc1"	0	""	""	1	1	405240	""
"722357"	"722357"	"Lissoclinidine"	"CC(=O)NCCc1c2Nc3ccccc3c4ccnc(c5OCSc15)c24"	0	""	""	2	2	10005246	""
"722391"	"722391"	"(3S,4As)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione"	"CC1=C2[C@H](C[C@H](O1)N3CCCCCC3=O)C(=O)c4ccccc4C2=O"	0	""	""	1	1	54611662	""
"722392"	"722392"	"(11R,15S,17S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione"	"C[C@@H]1O[C@@H]2OCC[C@@H]2C3=C1C(=O)c4ccccc4C3=O"	0	""	""	1	1	54611663	""
"722394"	"722394"	"(10S,11R,15S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione"	"CC1=C2[C@H]([C@H]3CCO[C@H]3O1)C(=O)c4ccccc4C2=O"	0	""	""	1	1	54611664	""
"722395"	"722395"	"Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	405259	""
"722396"	"722396"	"Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(Cc2ccccc2)C(=O)c3ccccc3C(=O)c4c(O)ccc(O)c14"	0	""	""	1	1	405260	""
"722416"	"722416"	"Pyrido[1',2':1,2]pyrimido[4,5-b]indole, 12-propyl"	"CCCc1c2c3ccccc3nc2nc4ccccn14"	0	""	""	1	1	405263	""
"722422"	"722422"	"5H-Pyrido[3',4':4,5]pyrrolo[2,3-b]quinoline, 11-methyl"	"Cc1c2ccccc2nc3[nH]c4ccncc4c13"	0	""	""	1	1	5472897	""
"722423"	"722423"	"5H-Pyrido[3',4':4,5]pyrrolo[2,3-b][1,6]naphthyridine, 11..."	"Cc1c2cnccc2nc3[nH]c4ccncc4c13"	0	""	""	1	1	5472898	""
"722434"	"722434"	"Tert-butyl 2-[(4-methylphenyl)amino]-4-oxo[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate"	"Cc1ccc(NC2=NC(=O)c3c(S2)n(C(=O)OC(C)(C)C)c4ccccc34)cc1"	0	""	""	1	1	405281	""
"722453"	"722453"	"5,6-Dihydro-8,9-methylenedioxy-5,11-dioxo-6-propyl-11H-i..."	"CCCN1C(=O)c2ccccc2C3=C1c4cc5OCOc5cc4C3=O"	0	""	""	1	1	11393445	""
"722460"	"722460"	"(Z)-3-chloro-4-(4'-hydroxyphenyl)-5-(3"	"Oc1ccc(cc1)C2=C(Cl)C(=O)O/C/2=C\c3ccc(O)c(Br)c3"	0	""	""	1	1	5472908	""
"722463"	"722463"	"3-chloro-4-(4-chlorophenyl)-5H-furan-2-one"	"ClC1=C(COC1=O)c2ccc(Cl)cc2"	0	""	""	1	1	405305	""
"722500"	"722500"	"N-Cyclohexyl-N'-(3,4-dimethoxy-benzyl)-N''-(4-methoxy-be..."	"COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	405307	""
"722501"	"722501"	"N,N'-Dicyclohexyl-N''-(4-methoxy-benzyl)-[1,3,5]triazine..."	"COc1ccc(CNc2nc(NC3CCCCC3)nc(NC4CCCCC4)n2)cc1"	0	""	""	1	1	405308	""
"722502"	"722502"	"N,N'-Bis-(4-methoxy-benzyl)-6-morpholin-4-yl-[1,3,5]tria..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(n2)N4CCOCC4)cc1"	0	""	""	1	1	405309	""
"722503"	"722503"	"N-Isopropyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazin..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NC(C)C)n2)cc1"	0	""	""	1	1	405310	""
"722504"	"722504"	"N,N'-Bis-(4-methoxy-benzyl)-N''-phenyl-[1,3,5]triazine-2..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(Nc4ccccc4)n2)cc1"	0	""	""	1	1	405311	""
"722508"	"722508"	"2-(4-ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline"	"CCN1CCN(CC1)c2nc3ccccc3nc2C(=O)c4ccc(OC)cc4"	0	""	""	1	1	405315	""
"722517"	"722517"	"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-c"	"COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c6ccc7ccccc7n6)c2c1O"	0	""	""	2	2	405320	""
"722518"	"722518"	"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2"	"COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c6cnc7ccccc7n6)c2c1O"	0	""	""	3	2	405321	""
"722546"	"722546"	"8,11-dichlorocryptolepine hydrochloride"	"Cn1c2ccccc2c(Cl)c3nc4cc(Cl)ccc4c13"	0	""	""	1	1	405328	""
"722547"	"722547"	"6,7-difluorocryptolepine hydrochloride"	"Cn1c2ccccc2cc3nc4ccc(F)c(F)c4c13"	0	""	""	1	1	405330	""
"722558"	"722558"	"N-[3-(Dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NS(=O)(=O)c3ccc4C(=O)c5ccccc5C(=O)c4c3)cn2C)cn1C"	0	""	""	1	1	405335	""
"722563"	"722563"	"N-[3-(Dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)cn1C"	0	""	""	1	1	405340	""
"722564"	"722564"	"Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	405341	""
"722565"	"722565"	"9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile"	"CC1=C(C#N)C23C(=O)c4ccccc4C(=O)C2=C(O)C=CC3(O)N1"	0	""	""	1	1	405342	""
"722566"	"722566"	"9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione"	"CC1(C)CC(=O)C2=C(C1)N(c3ccccc3)C4(O)C=CC(=C5C(=O)c6ccccc6C(=O)C245)O"	0	""	""	1	1	405343	""
"722567"	"722567"	"Ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(C)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	405344	""
"722568"	"722568"	"Ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(Cl)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	405345	""
"722569"	"722569"	"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione"	"Cc1nc2C(=O)C(=O)c3c4CCCC(=O)c4n(Cc5ccccc5)c3c2nc1C"	0	""	""	1	1	405346	""
"722572"	"722572"	"Ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	405349	""
"722573"	"722573"	"Ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c3c1cc(O)c4[nH]c5CCCCc5c34"	0	""	""	1	1	405350	""
"722576"	"722576"	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione"	"CC(=O)C1=C(C)N(c2ccccc2)C3(O)C4=C(C(=CC13Cl)O)C(=O)c5ccccc5C4=O"	0	""	""	1	1	405353	""
"722600"	"722600"	"3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)"	"[Na+].NCCC(O)(P(=O)(O)O)P(=O)(O)O"	0	NA	NA	1	1	NA	"57248881"
"722650"	"722650"	"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCCN(C)C)n(C)n5)n(C)n4"	0	""	""	1	1	405408	""
"722651"	"722651"	"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)n6)n(C)n5)n(C)n4"	0	""	""	1	1	405409	""
"722653"	"722653"	"N-[3-(Dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]ami"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)NCCCN(C)C)n(C)n6)n(C)c5)n(C)c4"	0	""	""	1	1	405411	""
"722657"	"722657"	"Partricin A  2-pyridinylethylamide"	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(N)C4O)\C=C\C=C\C=C\C=C/C=C\C=C\C=C/C2C)O3)C(=O)NCCc5ccccn5"	0	NA	NA	2	2	NA	"137042332"
"722659"	"722659"	"N-methylpiperazinoacetyl-partricin A dimethylaminoethyla..."	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(NC(=O)CN5CCN(C)CC5)C4O)\C=C\C=C\C=C\C=C/C=C\C=C\C=C/C2C)O3)C(=O)NCCN(C)C"	0	NA	NA	1	1	NA	"143483776"
"722663"	"722663"	"invirase"	"CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4"	0	NA	NA	2	1	NA	""
"722730"	"722730"	"2-Oxo-4-phenyl-1,2,3,4-tetrahydro-benz[4,5]imidazo[1,2-a..."	"O=CC1C(c2ccccc2)n3c(NC1=O)nc4ccccc34"	0	""	""	1	1	405423	""
"722731"	"722731"	"2-Chloro-4-phenyl-3,4-benz[4,5]imidazo[1,2-a]pyrimidin-3..."	"ClC1=Nc2nc3ccccc3n2C(C1C=O)c4ccccc4"	0	""	""	1	1	405424	""
"722739"	"722739"	"4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,4-dih..."	"COc1ccc(cc1)C2C(C=O)C(=Nc3nc4ccccc4n23)N5CCN(C)CC5"	0	""	""	1	1	405432	""
"722743"	"722743"	"2-Chloro-4-(4-nitrophenyl)-3,4-dihydro-benzo[4,5]imidazo..."	"[O-][N+](=O)c1ccc(cc1)C2C(C=O)C(=Nc3nc4ccccc4n23)Cl"	0	""	""	1	1	405436	""
"722757"	"722757"	"AG 490, m-CF3"	"Oc1ccc(\C=C(/C#N)\C(=O)NCc2cccc(c2)C(F)(F)F)cc1O"	0	""	""	1	1	11516050	""
"722779"	"722779"	"dabequine"	"CCN(CC)CCCC(C)Nc1ccnc2cc3ccccc3cc12"	0	""	""	1	1	405448	""
"722781"	"722781"	"trans-bis(acetato)amminepyridineplatinum(II)"	"CC(=O)[O-][Pt+2](N)([O-]C(=O)C)[n+]1ccccc1"	0	""	""	1	1	405450	""
"722782"	"722782"	"trans-bis(acetato)ammineisoquinolineplatinum(II)"	"CC(=O)[O-][Pt+2](N)([O-]C(=O)C)[n+]1ccc2ccccc2c1"	0	""	""	1	1	405451	""
"722804"	"722804"	"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)OCC)C(=O)OCC)c3cccs3)OCC"	0	""	""	1	1	54695397	""
"722812"	"722812"	"5-[(5-Cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile"	"OC1=C(C(C2=C(O)C(=C(NC2=O)N3CCOCC3)C#N)c4c(Cl)cccc4Cl)C(=O)NC(=C1C#N)N5CCOCC5"	0	""	""	1	1	54689426	""
"722821"	"722821"	"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate"	"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(O)C(=C(NC2=O)OCC)C(=O)OCC)c3ccc(F)cc3)OCC"	0	""	""	1	1	54695411	""
"722825"	"722825"	"5-[(5-Cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile"	"OC1=C(C(C2=C(O)C(=C(NC2=O)N3CCCC3)C#N)c4c(Cl)cccc4Cl)C(=O)NC(=C1C#N)N5CCCC5"	0	""	""	1	1	54695414	""
"722843"	"722843"	"2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid ..."	"COC(=O)c1cc(\C=C\c2ccc(cc2)S(=O)(=O)N)ccc1O"	0	""	""	1	1	5472924	""
"722853"	"722853"	"6,7-difluor-1,4-di-N-oxide-2-bencyloxicarbonyl-3methylqu..."	"Cc1c(C(=O)OCc2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	405496	""
"722854"	"722854"	"1,4-di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxa..."	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccccc13)C(F)(F)F"	0	""	""	1	1	405497	""
"722858"	"722858"	"maleimide carbazole"	"O=C1CCc2c(CC1)c3[nH]c4ccccc4c3c5C(=O)NC(=O)c25"	0	""	""	1	1	405501	""
"722859"	"722859"	"maleimide carbazole"	"NCCCn1c2ccccc2c3c4C(=O)NC(=O)c4c5CCC(O)CCc5c13"	0	""	""	1	1	405502	""
"722864"	"722864"	""	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"722866"	"722866"	"2-[(E)-[2-Chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1ccc(OC)c(c1c2nc3sc(Cl)cn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	9572615	""
"722867"	"722867"	"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	16099260	""
"722868"	"722868"	"2-[(E)-[2-Chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	9572619	""
"722869"	"722869"	"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1ccc(OC)c(c1c2nc3sc(C)cn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	9572621	""
"722871"	"722871"	"2-[(E)-[2-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	9572625	""
"722873"	"722873"	"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1csc2nc(c(\C=N\NC(=N)N)n12)c3cc(c(Cl)cc3Cl)[N+](=O)[O-]"	0	""	""	1	1	9572629	""
"722874"	"722874"	"2-[(Z)-[2-Chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	54612614	""
"722875"	"722875"	"2-[(Z)-[6-(3-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	54612616	""
"722877"	"722877"	"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1sc2nc(c3cc(c(Cl)cc3Cl)[N+](=O)[O-])c(\C=N\NC(=N)N)n2c1C"	0	""	""	1	1	9572631	""
"722900"	"722900"	"N-(3-Iodo-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCCI)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027806	""
"722913"	"722913"	"3-(4-methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,4-..."	"Cc1ccc(cc1)C2=NOC3=C4C=CC=CC4=CSC3=C2c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	405550	""
"722916"	"722916"	"3-(4-methoxyphenyl)-4-phenylisothiochromeno[3,4-e][1,2]o..."	"COc1ccc(cc1)C2=NOC3=C4C=CC=CC4=CSC3=C2c5ccccc5"	0	""	""	1	1	405553	""
"722940"	"722940"	"4,6-Diethylthiopyrazolo[3,4-d]pyrimidine"	"CCSc1nc(SCC)c2cn[nH]c2n1"	0	""	""	1	1	405572	""
"722946"	"722946"	"4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion"	"S=C1Nc2[nH]ncc2C(=N1)N3CCCCC3"	0	""	""	1	1	135436397	""
"722948"	"722948"	"4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine"	"CCSc1nc(N)c2cnn(C)c2n1"	0	""	""	1	1	405580	""
"722949"	"722949"	"4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol"	"Cn1ncc2c(\N=C\c3cccs3)nc(S)nc12"	0	""	""	2	2	135436399	""
"722957"	"722957"	"4-(p-methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion"	"Cc1ccc(NC2=NC(=S)Nc3[nH]ncc23)cc1"	0	""	""	1	1	135436400	""
"722962"	"722962"	"6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	"CCSc1nc(N2CCOCC2)c3cn[nH]c3n1"	0	""	""	1	1	405595	""
"722963"	"722963"	"4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine"	"Cn1ncc2c(N)nc(nc12)N3CCCCC3"	0	""	""	1	1	405596	""
"722974"	"722974"	"1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione"	"CN(C)Cc1c(O)ccc2c1c3C(=O)c4ccccc4C(=O)c3n2C"	0	""	""	1	1	405604	""
"722977"	"722977"	"9-Acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	405607	""
"722981"	"722981"	"17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(c2ccccc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	405611	""
"722982"	"722982"	"17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C=CC(=C4C(=O)c5ccccc5C(=O)C134)O"	0	""	""	1	1	405612	""
"722985"	"722985"	"Ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C(CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5)OC"	0	""	""	1	1	405615	""
"722987"	"722987"	"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C=CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5"	0	""	""	1	1	405617	""
"722989"	"722989"	"Triethyl 2-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4h-benzo[g]indole-3,4,4-tricarboxylate"	"CCOC(=O)c1c(C)n(c2ccc(C)cc2)c3c4ccccc4C(=O)C(C(=O)OCC)(C(=O)OCC)c13"	0	""	""	3	2	405619	""
"722990"	"722990"	"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C(CC(=O)C4C(=O)N(C(=O)C134)c5ccccc5)OC"	0	""	""	1	1	405620	""
"722992"	"722992"	"Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(O)c(cc2c1c3C(=O)c4ccccc4C(=O)c3n2Cc5ccccc5)[N+](=O)[O-]"	0	""	""	1	1	5472966	""
"722995"	"722995"	"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione"	"CC(=O)C1=C(C)N(c2ccc(C)cc2)C3(O)C4=C(C(=CC13Cl)O)C(=O)c5ccccc5C4=O"	0	""	""	1	1	405625	""
"722996"	"722996"	"2-(4-chloro-benzyl)-1H-naphth[2,3-d]imidazole"	"Clc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	1	1	405626	""
"722997"	"722997"	"2-(3,4-dichloro-benzyl)-1H-naphth[2,3-d]imidazole"	"Clc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1Cl"	0	""	""	1	1	405627	""
"722998"	"722998"	"2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole"	"FC(F)(F)c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1"	0	""	""	1	1	405628	""
"723001"	"723001"	"Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L..."	"CCOC(=O)CCC(NC(=O)Cc1ccc(Oc2nc3ccccc3nc2c4cccs4)cc1)C(=O)OCC"	0	""	""	1	1	405631	""
"723118"	"723118"	"6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine"	"C(Sc1nc(N2CCOCC2)c3cn[nH]c3n1)c4ccccc4"	0	""	""	1	1	405659	""
"723121"	"723121"	"4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyri..."	"S=C1Nc2[nH]ncc2C(=N1)N\N=C\c3cccs3"	0	""	""	1	1	135436412	""
"723122"	"723122"	"4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrim..."	"S=C1Nc2[nH]ncc2C(=N1)N\N=C\c3occc3"	0	""	""	1	1	135436414	""
"723125"	"723125"	"4-(p-methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo..."	"COc1ccc(\C=N\NC2=NC(=S)Nc3[nH]ncc23)cc1"	0	""	""	1	1	135436418	""
"723130"	"723130"	"8-chloro-7-cyano-3-phenylamino-1,2,4-triazolo[4,3-b][1,4..."	"Clc1cc2Sc3nnc(Nc4ccccc4)n3S(=O)(=O)c2cc1C#N"	0	""	""	2	2	405673	""
"723133"	"723133"	"8-chloro-7-cyano-3-(3,5-dimethylphenylamino)-1,2,4-triaz..."	"Cc1cc(C)cc(Nc2nnc3Sc4cc(Cl)c(cc4S(=O)(=O)n23)C#N)c1"	0	""	""	1	1	405676	""
"723134"	"723134"	"8-chloro-3-(3,5-dimethylphenylamino)-7-methyl-1,2,4-tria..."	"Cc1cc(C)cc(Nc2nnc3Sc4cc(Cl)c(C)cc4S(=O)(=O)n23)c1"	0	""	""	1	1	405677	""
"723148"	"723148"	"6-chloro-3-(2-hydroxyphenyl)-7-methyl-2,3-dihydro-1,4,2-..."	"Cc1cc2c(SC(NS2(=O)=O)c3ccccc3O)cc1Cl"	0	""	""	1	1	405695	""
"723153"	"723153"	"4-chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzyliden..."	"[K+].Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccccc3)cc1Cl)S(=O)(=O)NC#N"	0	""	""	1	1	54612547	""
"723154"	"723154"	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorob..."	"[K+].Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(Cl)cc3)cc1Cl)S(=O)(=O)NC#N"	0	""	""	1	1	54612558	""
"723155"	"723155"	"4-chloro-5-methyl-2-[4-nitrophenylhydrazone-N-(4-chlorob..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(Cl)cc3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	9572648	""
"723250"	"723250"	"2,4-Dimethoxy-6-(3'-fluorophenyl)-1,3,5-triazine"	"COc1nc(OC)nc(n1)c2cccc(F)c2"	0	""	""	1	1	405722	""
"723303"	"723303"	"1-(4-Fluorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzim..."	"COc1ccc2c(c1)nc3CSC(c4ccc(F)cc4)n23"	0	""	""	1	1	405742	""
"723322"	"723322"	"4-(3-carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid"	"OC(=O)Cc1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1"	0	""	""	1	1	405748	""
"723324"	"723324"	"4-(3-phenylquinoxalin-2-yl)-oxyphenylacetic acid"	"OC(=O)Cc1ccc(Oc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	405750	""
"723328"	"723328"	"4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-h..."	"O[C@@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2.O[C@]45C[C@@H](CNC(=O)c6cc(Br)c[nH]6)O[C@H]4NC(=O)N5"	0	""	""	1	1	54612581	""
"723330"	"723330"	"(9R,11R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6..."	"CO[C@]12C[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)O[C@H]1NC(=O)N2"	0	""	""	1	1	405754	""
"723380"	"723380"	"9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-"	"Nc1nc(Cl)c2ncn(Cc3cccc(CCl)c3)c2n1"	0	""	""	2	1	405759	""
"723382"	"723382"	"9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-"	"Nc1nc(Cl)c2ncn(Cc3ccc(CCl)cc3)c2n1"	0	""	""	1	1	405761	""
"723383"	"723383"	"2-Amino-9-[4-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one"	"NC1=Nc2c(ncn2Cc3ccc(CO)cc3)C(=O)N1"	0	""	""	1	1	135436427	""
"723384"	"723384"	"9-[2-(Chloromethyl)benzyl]-9h-purine-2,6-diamine"	"Nc1nc(N)c2ncn(Cc3ccccc3CCl)c2n1"	0	""	""	1	1	405763	""
"723388"	"723388"	"octylsulfanyl[?]one"	"CCCCCCCCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	46854321	""
"723389"	"723389"	"Ethylpropionatethio isosampangine"	"CCOC(=O)CCSC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	46854322	""
"723390"	"723390"	"N-[2-[(10-Oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]pyrazine-2-carboxamide"	"O=C(NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24)c5cnccn5"	0	""	""	1	1	46854493	""
"723392"	"723392"	"12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid"	"NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	2	2	46854489	""
"723393"	"723393"	"(2-hydroxyethylamino)[?]one"	"OCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	46854494	""
"723394"	"723394"	"Tert-butyl N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]carbamate"	"CC(C)(C)OC(=O)NCCNC1=CC(=O)c2nc3ccccc3c4ccnc1c24"	0	""	""	1	1	46854488	""
"723396"	"723396"	"Phenyl thiourea ethylene diamino isosampangine"	"O=C1C=C(NCCNC(=S)Nc2ccccc2)c3nccc4c5ccccc5nc1c34"	0	""	""	1	1	46854492	""
"723397"	"723397"	"12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol"	"COc1cc(O)c2nc3ccccc3c4C=CNc1c24"	0	""	""	1	1	54612598	""
"723412"	"723412"	"4-chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline"	"COc1cc2nc(nc(Cl)c2cc1OC)c3cccs3"	0	""	""	1	1	405769	""
"723415"	"723415"	"6,7-bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- th..."	"FC(F)(F)c1ccccc1N2CCN(CC2)c3nc(nc4ccc(Br)cc34)c5cccs5"	0	""	""	1	1	405772	""
"723416"	"723416"	"6,7-dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2..."	"COc1cc2nc(nc(N3CCN(CC3)c4ccccc4C(F)(F)F)c2cc1OC)c5cccs5"	0	""	""	1	1	405773	""
"723417"	"723417"	"6-bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline"	"Brc1cccc(Nc2nc(nc3ccc(Br)cc23)c4cccs4)c1"	0	""	""	1	1	405774	""
"723418"	"723418"	"6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quin..."	"COc1cc2nc(nc(Nc3cccc(Cl)c3)c2cc1OC)c4cccs4"	0	""	""	1	1	405775	""
"723423"	"723423"	"6,7-bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quina..."	"COc1cccc(Nc2nc(nc3ccc(Br)cc23)c4cccs4)c1"	0	""	""	1	1	405780	""
"723427"	"723427"	"2-(para-hydroxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4..."	"COc1cc2nc(nc(N3C(=NNC(=O)c4ccccc34)c5ccc(O)cc5)c2cc1OC)c6cccs6"	0	""	""	1	1	405784	""
"723428"	"723428"	"2-(para-methoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quin..."	"COc1ccc(cc1)C2=NNC(=O)c3ccccc3N2c4nc(nc5ccc(Br)cc45)c6cccs6"	0	""	""	1	1	405785	""
"723429"	"723429"	"2-(para-methoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4..."	"COc1ccc(cc1)C2=NNC(=O)c3ccccc3N2c4nc(nc5cc(OC)c(OC)cc45)c6cccs6"	0	""	""	1	1	405786	""
"723430"	"723430"	"2-(3,4,5-trimethoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- ..."	"COc1cc(cc(OC)c1OC)C2=NNC(=O)c3ccccc3N2c4nc(nc5ccc(Br)cc45)c6cccs6"	0	""	""	1	1	405787	""
"723431"	"723431"	"2-(3,4,5-trimethoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thieny..."	"COc1cc2nc(nc(N3C(=NNC(=O)c4ccccc34)c5cc(OC)c(OC)c(OC)c5)c2cc1OC)c6cccs6"	0	""	""	1	1	405788	""
"723432"	"723432"	"1,7-Bis(4-hydroxy-3-methoxy-5-methylphenyl)-1,6-heptadie..."	"COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(C)c(O)c(OC)c2)cc(C)c1O"	0	""	""	1	1	5473011	""
"723434"	"723434"	"1,1-Di(3,4,5-trimethoxybenzylidenylcarbonyl)cyclohexane"	"COc1cc(\C=C\C(=O)C2(CCCCC2)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)cc(OC)c1OC"	0	""	""	1	1	5473013	""
"723448"	"723448"	"2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylene..."	"Nc1ncc(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1"	0	""	""	1	1	405796	""
"723452"	"723452"	"Benzothein[2,3-d]pyrimidin-4-amino-2-hydroxy-5,6,7,8-tet..."	"Nc1nc(O)nc2sc3CCCCc3c12"	0	""	""	1	1	405800	""
"723480"	"723480"	"8-Aniline-3,7-dimethyl-2,6-octadiene Pyrophosphate"	"C\C(=C/COP(=O)(O)OP(=O)(O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	5473016	""
"723483"	"723483"	"8-Aniline-3,7-dimethyl-2,6-octadiene Methylenediphosphonate"	"C\C(=C/COP(=O)(O)CP(=O)(O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	5473022	""
"723484"	"723484"	"8-Aniline-3,7-dimethyl-2,6-octadienol"	"C\C(=C/CO)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	5473024	""
"723485"	"723485"	"8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadienol"	"C\C(=C/CO)\CC\C=C(/C)\CNc1ccc(cc1)[N+](=O)[O-]"	0	""	""	1	1	5473025	""
"723487"	"723487"	"8-Aniline-3,7-dimethyl-2,6-octadiene-S-L-cysteine"	"C\C(=C/CSCC(N)C(=O)O)\CC\C=C(/C)\CNc1ccccc1"	0	""	""	1	1	5473027	""
"723488"	"723488"	"6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate"	"C\C(=C/COP(=O)(O)OP(=O)(O)O)\CCCOCc1ccccc1"	0	""	""	1	1	5473028	""
"723507"	"723507"	"5-(methyloxime)-3-(4-methylphenyl)-isoxazole"	"Cc1ccc(cc1)c2cc(on2)\C=N\O"	0	""	""	1	1	135436429	""
"723513"	"723513"	"1-(2,3-dichlorophenyl)-3,4,4-trichloro-but-3-en-1-one"	"ClC(=C(Cl)CC(=O)c1cccc(Cl)c1Cl)Cl"	0	""	""	1	1	405826	""
"723515"	"723515"	"3,3,4,4,4-pentachloro-1-phenylbutan-1-one"	"ClC(Cl)(Cl)C(Cl)(Cl)CC(=O)c1ccccc1"	0	""	""	1	1	405828	""
"723517"	"723517"	"1(2-naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-me..."	"Cc1ccc(N\C(=C/C=N/c2ccc(C)cc2)\c3ccc4ccccc4c3)cc1"	0	""	""	1	1	5473033	""
"723518"	"723518"	"4,4-bis(3,5-dimethylpyrazole)-1,1-dichloro-but-3-ene-2-one"	"Cc1cc(C)n(n1)C(=CC(=O)C(Cl)Cl)n2nc(C)cc2C"	0	""	""	1	1	405832	""
"723520"	"723520"	"N-phenyl-3,4,4-trichlorobut-3-enamide"	"ClC(=C(Cl)CC(=O)Nc1ccccc1)Cl"	0	""	""	1	1	405834	""
"723524"	"723524"	"1-(2-naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imin..."	"C[N+](=C\C=C(/Cl)\c1ccc2ccccc2c1)C"	0	""	""	2	2	5473036	""
"723525"	"723525"	"1-(2-naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)..."	"CCOc1ccc(cc1)\N=C\C=C(/Cl)\c2ccc3ccccc3c2"	0	""	""	2	2	5473038	""
"723526"	"723526"	"1-(2-naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imin..."	"Cl\C(=C/C=N/c1ccc(I)cc1)\c2ccc3ccccc3c2"	0	""	""	2	2	5473040	""
"723527"	"723527"	"1-(2-naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-im..."	"Cc1cccc(c1)\N=C\C=C(/Cl)\c2ccc3ccccc3c2"	0	""	""	2	2	5473042	""
"723528"	"723528"	"1-(2-naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-..."	"CCOC(=O)c1ccc(N\C(=C/C=N/c2ccc(cc2)C(=O)OCC)\c3ccc4ccccc4c3)cc1"	0	""	""	1	1	5473044	""
"723529"	"723529"	"1-(2-naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hy..."	"N(\C(=C/C=N/c1ccccc1)\c2ccc3ccccc3c2)c4ccccc4"	0	""	""	1	1	5473046	""
"723531"	"723531"	"Resveratrol-3,5-diacetate"	"CC(=O)Oc1cc(OC(=O)C)cc(\C=C\c2ccc(O)cc2)c1"	0	""	""	1	1	5473049	""
"723532"	"723532"	"3-methoxyresveratrol"	"COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1"	0	""	""	1	1	5473050	""
"723533"	"723533"	"3,4'-dimethoxyresveratrol"	"COc1ccc(\C=C\c2cc(O)cc(OC)c2)cc1"	0	""	""	1	1	5473051	""
"723548"	"723548"	"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3c(OC)ccc(OC)c3[N+](=O)[O-]"	0	""	""	2	2	9572654	""
"723551"	"723551"	"2-[(E)-[6-(3-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccc(c3)[N+](=O)[O-]"	0	""	""	1	1	9572660	""
"723552"	"723552"	"2-[(E)-[6-(4-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccc(cc3)[N+](=O)[O-]"	0	""	""	2	1	9572662	""
"723553"	"723553"	"2-[(E)-[6-(2,4-Dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"CCc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cc(C)c(Cl)cc3Cl"	0	""	""	1	1	9572664	""
"723554"	"723554"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one"	"COc1cc2c(\C=C/3\C(=O)N(C)c4ccc(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	5473064	""
"723557"	"723557"	"(3E)-5-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	5473068	""
"723558"	"723558"	"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	5473069	""
"723559"	"723559"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	5473070	""
"723560"	"723560"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cc(C)c(O)cc34)c(Cl)[nH]c2cc1C"	0	""	""	1	1	5473071	""
"723561"	"723561"	"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	1	1	5473072	""
"723564"	"723564"	"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	2	2	5473075	""
"723565"	"723565"	"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	2	1	5473076	""
"723568"	"723568"	"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccccc34)c(Cl)n(Cc5ccc(Cl)cc5)c2cc1C"	0	""	""	2	2	5473079	""
"723570"	"723570"	"(3E)-3-[[2-Chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1ccc(Cn2c(Cl)c(\C=C/3\C(=O)Nc4ccccc34)c5cc(OC)c(C)cc25)cc1"	0	""	""	1	1	5473081	""
"723582"	"723582"	"3-(p-Chlorophenyl)diazo-2-oxoimidazolo[2,3-b]pyrimido[4,..."	"Clc1ccc(cc1)N=NC2N3C=Nc4sc5CCCCc5c4C3=NC2=O"	0	""	""	1	1	405901	""
"723637"	"723637"	"6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine"	"Nc1ncnc2SC(=S)C3=C(CCC3)c12"	0	""	""	1	1	5473085	""
"723645"	"723645"	"2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile"	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Cl"	0	""	""	1	1	5473088	""
"723647"	"723647"	"2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2cc(Cl)ccc2Cl"	0	""	""	1	1	5473090	""
"723648"	"723648"	"2-[3-(4-Chloro-phenyl)-3-(2,3,5,6-tetrachloro-pyridin-4-..."	"Clc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2c(Cl)c(Cl)nc(Cl)c2Cl"	0	""	""	1	1	5473091	""
"723654"	"723654"	"1-(3-Oxo-hex-1-enylsulfanyl)-hex-1-en-3-one"	"CCCC(=O)\C=C\S\C=C\C(=O)CCC"	0	""	""	1	1	5473096	""
"723655"	"723655"	"4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-e..."	"CC(C)C(=O)\C=C\S\C=C\C(=O)C(C)C"	0	""	""	1	1	5473097	""
"723675"	"723675"	"1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine"	"Cn1c2c(Cc3ccccc23)c4c(Cl)nncc14"	0	""	""	1	1	405931	""
"723732"	"723732"	"8-{4-[6-(4-flurophenyl)-2-methyl-4-pyrimidinyloxy]butoxy..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4cc(nc(C)n4)c5ccc(F)cc5"	0	""	""	2	2	405944	""
"723733"	"723733"	"7-methoxy-8-[2-(4-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCN4CCN(CCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)CC4"	0	""	""	3	2	405945	""
"723734"	"723734"	"7-methoxy-8-[4-(4-{4-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4CCN(CCCCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)CC4"	0	""	""	3	2	405946	""
"723740"	"723740"	"Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminom..."	"CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	2	405951	""
"723741"	"723741"	"Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydro..."	"CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	1	1	405952	""
"723742"	"723742"	"Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]..."	"CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1)C(=O)OCC"	0	""	""	2	1	405953	""
"723827"	"723827"	"iodide"	"CC1=NC2=Nc3nc(C)cc[n+]3CN2C=C1"	0	""	""	1	1	405972	""
"723828"	"723828"	"iodide"	"Fc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(F)ccc45"	0	""	""	1	1	405974	""
"723829"	"723829"	"iodide"	"Cc1ccc2N3C[n+]4c(N=C3Sc2c1)sc5cc(C)ccc45"	0	""	""	1	1	405976	""
"723888"	"723888"	"3-benzyl-2-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indol..."	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3C(=O)C(=O)c4ccccc4c13"	0	""	""	2	2	406008	""
"723889"	"723889"	"Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxo-4,5-dihydro-3h-benzo[e]indole-1-carboxylate"	"CCOC(=O)c1c(C)n(c2ccc(OC)cc2)c3C(=O)C(=O)c4ccccc4c13"	0	""	""	2	2	406009	""
"723890"	"723890"	"Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(C(=O)c2ccccc2C(=O)c3c(O)ccc(O)c13)c4ccc(C)cc4"	0	""	""	1	1	406010	""
"723891"	"723891"	"Ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate"	"CCOC(=O)\C\1=C(/C)\N(C(=O)c2ccccc2C(=O)c3c(OC(=O)C)ccc(OC(=O)C)c13)c4ccc(C)cc4"	0	""	""	1	1	5473107	""
"723897"	"723897"	"5-Benzyl-5,6,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione"	"O=C1CCCc2c1c3C(=O)c4ccccc4c3n2Cc5ccccc5"	0	""	""	1	1	406017	""
"723906"	"723906"	"1,4-di-N-oxide-6,7-difluor-2-phenylcarbonyl-3-trifluorme..."	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	3	2	406024	""
"723908"	"723908"	"1,4-di-N-oxide-2-acetyl-3-[(N,N-phenylmethyl)methylamino..."	"CN(Cc1c(C(=O)C)[n+]([O-])c2ccccc2[n+]1[O-])c3ccccc3"	0	""	""	1	1	406026	""
"723909"	"723909"	"1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline."	"CCC(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	406027	""
"723917"	"723917"	"S-[3-(4-Methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-S'-methyl ..."	"COc1ccc(cc1)C(=O)\C=C\S\C(=N\C#N)\SC"	0	""	""	1	1	7004070	""
"723999"	"723999"	"methyl 5-chloropyrazinoate"	"COC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	406081	"287714356"
"724001"	"724001"	"5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester"	"CC(C)(C)OC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	406083	"169335506"
"724002"	"724002"	"5-Chloro-pyrazine-2-carboxylic acid hexylamide"	"CCCCCCNC(=O)c1cnc(Cl)cn1"	0	""	""	1	1	406084	""
"724003"	"724003"	"5-Chloro-pyrazine-2-carboxylic acid benzylamide"	"Clc1cnc(cn1)C(=O)NCc2ccccc2"	0	""	""	1	1	406085	""
"724005"	"724005"	"7-methoxy-8-{3-[7-methoxy (11aS)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	406087	""
"724006"	"724006"	"7-methoxy-8-{5-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	1	1	406088	""
"724010"	"724010"	"8-[4-(4-chloro-6-methyl-7-quinazolinyloxy)butoxy]7-metho..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4cc5nc(C)nc(Cl)c5cc4OC"	0	""	""	1	1	406092	""
"724037"	"724037"	"1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol"	"Oc1cn(nc1c2oc(nn2)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	3	2	406094	""
"724040"	"724040"	"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	3006482	""
"724058"	"724058"	"3-[(N,N-Dimethylamino)-1-propyl]-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCN(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	11270518	""
"724059"	"724059"	"6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,6-..."	"COc1cc2C(=O)N(CCCNCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027808	""
"724061"	"724061"	"(3,5-dichloro-2-hydroxy-benzylidene-hydrazinocarbonylmet..."	"Oc1c(Cl)cc(Cl)cc1\C=N/NC(=O)CSCC(=O)N\N=C/c2cc(Cl)cc(Cl)c2O"	0	""	""	1	1	135436441	""
"724062"	"724062"	"(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul..."	"Oc1ccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2ccc(O)c(O)c2O)c(O)c1O"	0	""	""	1	1	135436442	""
"724063"	"724063"	"(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac..."	"[O-][N+](=O)c1cccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2cccc(c2)[N+](=O)[O-])c1"	0	""	""	1	1	9572668	""
"724065"	"724065"	"(3,5-dibromo-2-hydroxy-benzylidene-hydrazinocarbonylmeth..."	"Oc1c(Br)cc(Br)cc1\C=N/NC(=O)CSCC(=O)N\N=C/c2cc(Br)cc(Br)c2O"	0	""	""	1	1	135436443	""
"724067"	"724067"	"(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace..."	"Brc1cccc(\C=N/NC(=O)CSCC(=O)N\N=C/c2cccc(Br)c2)c1"	0	""	""	1	1	9572671	""
"724112"	"724112"	"4-[(2Z)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one"	"Clc1ccc(\C=N/NC2=NNC(=O)c3ccccc23)cc1"	0	""	""	1	1	9572673	""
"724117"	"724117"	"4-[(2Z)-2-[3-Butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one"	"CCCCN1C(CS/C/1=N\NC2=NNC(=O)c3ccccc23)c4ccc(Cl)cc4"	0	""	""	1	1	9572675	""
"724129"	"724129"	"6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyraz..."	"CCSc1nc(NC(C)c2ccccc2)c3cnn(CO)c3n1"	0	""	""	1	1	406130	""
"724130"	"724130"	"6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyra..."	"CCSc1nc(N\N=C\c2cccs2)c3cnn(CO)c3n1"	0	""	""	1	1	9572681	""
"724137"	"724137"	"3-Phenyl-4h-[1,2,4]triazino[3,4-a]phthalazin-7(6h)-one"	"O=C1NN2CC(=NN=C2c3ccccc13)c4ccccc4"	0	""	""	1	1	406138	""
"724208"	"724208"	"2-[(2-thiazolyl)amino]ethyl-3,5,6-trichlorohydroquinone"	"Oc1c(Cl)c(Cl)c(O)c(CCNc2nccs2)c1Cl"	0	""	""	1	1	406195	""
"724209"	"724209"	"2-[2-(2-thiazolylamino)ethyl]-3,5,6-trichloro-1,4-benzoq..."	"ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)CCNc2nccs2"	0	""	""	1	1	406196	""
"724210"	"724210"	"2-[2-(6-quinolinylamino)ethyl]-3,5,6-trichlorohydroq1uinone"	"Oc1c(Cl)c(Cl)c(O)c(CCNc2ccc3ncccc3c2)c1Cl"	0	""	""	1	1	406197	""
"724212"	"724212"	"2,2'-bi[5-(2,5-dihydroxy-3,4,6-trichlorophenyl)-thiazole]"	"Oc1c(Cl)c(Cl)c(O)c(c1Cl)c2cnc(s2)c3ncc(s3)c4c(O)c(Cl)c(Cl)c(O)c4Cl"	0	""	""	1	1	406199	""
"724235"	"724235"	"phenylpyrimidine"	"CC1=CN(Cc2ccccc2CCl)C(=O)NC1=O"	0	""	""	1	1	406205	""
"724237"	"724237"	"phenylpyrimidine"	"ClCc1ccccc1CN2C=CC(=O)NC2=O"	0	""	""	1	1	406207	""
"724242"	"724242"	"phenylpyrimidine"	"OCc1ccccc1CN2C=C(Sc3ccccc3)C(=O)NC2=O"	0	""	""	1	1	406212	""
"724257"	"724257"	"Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate"	"Fc1cc2C(=O)C(=CN(C3CC3)c2cc1N4CCN(Cc5ccc6ccccc6n5)CC4)C(=O)OCc7ccc8ccccc8n7"	0	""	""	2	1	406214	""
"724258"	"724258"	"2-[(Z)-6-(2-Methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile"	"COc1ccccc1C#C\C=C/C#Cc2ccccc2C#N"	0	""	""	1	1	5473138	""
"724259"	"724259"	"2-[(Z)-6-Pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#Cc2ccccn2"	0	""	""	1	1	5473139	""
"724265"	"724265"	"6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,6..."	"COc1cc2C(=O)N(CCCNCCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027810	""
"724276"	"724276"	"(3Z)-5-Methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one"	"COc1cc2\C(=C\c3ccncc3)\C(=O)Nc2cc1C"	0	""	""	1	1	5473149	""
"724277"	"724277"	"2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfa..."	"Cn1ccnc1S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2"	0	""	""	3	2	5473150	""
"724284"	"724284"	"S-[3-(4-Chloro-phenyl)-3-oxo-prop-1-en-1-yl] S'-methyl c..."	"CS\C(=N/C#N)\S\C=C\C(=O)c1ccc(Cl)cc1"	0	""	""	1	1	7021609	""
"724290"	"724290"	"3-(2,5-Dimethoxy-phenylsulfanyl)-1,3-diphenyl-propan-1-one"	"COc1ccc(OC)c(SC(CC(=O)c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	406245	""
"724294"	"724294"	"(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)..."	"CC(C)(C)c1ccc(\C=N\NC(=O)CSCC(=O)N\N=C\c2ccc(cc2)C(C)(C)C)cc1"	0	""	""	1	1	9572685	""
"724305"	"724305"	"Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}di..."	"C(c1c[nH]c2ccccc12)c3nnc4sc(SSc5nn6c(Cc7c[nH]c8ccccc78)nnc6s5)nn34"	0	""	""	1	1	406260	""
"724319"	"724319"	"Arylmethylene-F"	"Fc1ccc(\C=C/2\CCOc3c(ccc4ccccc34)C2=O)cc1"	0	""	""	2	2	5473168	""
"724322"	"724322"	"Pyrazol-F"	"Fc1ccc(cc1)C2C3CCOc4c(ccc5ccccc45)C3=NN2c6ccccc6"	0	""	""	2	1	406270	""
"724328"	"724328"	"Aminopyrimidine-F"	"Fc1ccc(cc1)C2NC(=N)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	406276	""
"724330"	"724330"	"Aminopyrimidine-CH3"	"Cc1ccc(cc1)C2NC(=N)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	3	2	406278	""
"724331"	"724331"	"Thiopyrimidine-F"	"Fc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	5473171	""
"724332"	"724332"	"Thiopyrimidine-OCH3"	"COc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	5473172	""
"724333"	"724333"	"Thiopyrimidine-Cl"	"Clc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	5473173	""
"724342"	"724342"	"(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu..."	"FC(F)(F)c1cccc(\C=N\NC(=O)CSCC(=O)N\N=C\c2cccc(c2)C(F)(F)F)c1"	0	""	""	1	1	9572690	""
"724358"	"724358"	"5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione"	"Clc1nc2sccn2c1\C=C\3/SC(=O)NC3=O"	0	""	""	2	1	5473183	""
"724383"	"724383"	"3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin (Thunbergin..."	"Oc1ccc(cc1O)C2=Cc3cccc(O)c3C(=O)O2"	0	""	""	2	2	5321948	"147666806"
"724384"	"724384"	"8-hydroxy-3-phenylisocoumarin"	"Oc1cccc2C=C(OC(=O)c12)c3ccccc3"	0	""	""	2	1	5473194	"74794539"
"724387"	"724387"	"3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin"	"COc1ccc(cc1OC)C2=Cc3cccc(OC)c3C(=O)O2"	0	""	""	1	1	406328	"147666840"
"724391"	"724391"	"3-(3,4-dihydroxyphenyl)-8-methoxy-4-methylisocoumarin"	"CC1=C(OC(=O)c2c(O)cccc12)c3ccc(O)c(O)c3"	0	""	""	1	1	5473195	""
"724392"	"724392"	"3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone"	"COc1ccc(cc1Cl)C2=C(Br)C(=O)OC2"	0	""	""	2	1	406333	""
"724429"	"724429"	"(3E)-5-Methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3cccnc3)\c2c1"	0	""	""	1	1	5473198	""
"724432"	"724432"	"(3E)-5-Methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one"	"COc1cc2\C(=C/c3ccccn3)\C(=O)Nc2cc1C"	0	""	""	1	1	5473201	""
"724435"	"724435"	"(3E)-4-Chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one"	"Clc1cccc2NC(=O)\C(=C\c3cccnc3)\c12"	0	""	""	1	1	5473204	""
"724447"	"724447"	"(3E)-3-[1-[6-[(1E)-1-(2-Oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one"	"C\C(=C\1/C(=O)Nc2ccccc12)\c3cccc(n3)\C(=C/4\C(=O)Nc5ccccc45)\C"	0	""	""	1	1	5473213	""
"724448"	"724448"	"(3E)-3-[[6-[(E)-(2-Oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one"	"O=C1Nc2ccccc2/C/1=C\c3cccc(\C=C/4\C(=O)Nc5ccccc45)n3"	0	""	""	2	1	5473214	""
"724459"	"724459"	"Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat"	"CCN(CC)c1c([nH]nc1c2ccccc2)C(=O)OC"	0	""	""	1	1	406395	""
"724462"	"724462"	"4-(4-Carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCn3c4ccccc4c5ccccc35)cn2C)cn1C"	0	""	""	2	2	406397	""
"724529"	"724529"	"Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,..."	"CCOC(=O)c1sc2N=C3S\C(=N\Nc4ccc(Cl)cc4)\C(=O)N3C(=S)c2c1C"	0	""	""	1	1	406455	""
"724530"	"724530"	"1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carbox..."	"CCOC(=O)c1sc2nc(S)nc(NC(=S)N)c2c1C"	0	""	""	1	1	5473232	""
"724550"	"724550"	"2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole"	"C(c1ccc(Sc2ccccc2)cc1)c3nc4cc5ccccc5cc4[nH]3"	0	""	""	2	2	406459	""
"724552"	"724552"	"1-aza-9-oxafluorene deriv. 7a"	"Cc1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	406461	""
"724553"	"724553"	"6-Hydroxy-3-methoxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"COc1cnc2oc3ccc(O)cc3c2c1c4ccccc4"	0	""	""	1	1	406462	""
"724562"	"724562"	"11-(3'Aminopropylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	9978660	""
"724563"	"724563"	"6-[(3-Amino-n-propyl)amino-1-propyl]-5,6-dihydro-2,3-dim..."	"COc1cc2C(=O)N(CCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	11317241	""
"724579"	"724579"	"Iejimalide A."	"COC1CC\C=C(/C)\C=C\CC(OC)\C=C(/C)\C=C\C(C)\C=C\C(=O)OC(C(C)\C=C\C=C\1)\C(=C\C=C(/C)\CNC(=O)[C@H](CO)NC=O)\C"	0	""	""	2	2	5473233	""
"724596"	"724596"	"S-(dimethylarsino)-3-mercapto-1,2-propanediol"	"C[As](C)SCC(O)CO"	0	""	""	4	2	406475	""
"724597"	"724597"	"S-(diethylarsino)-3-mercapto-1,2-propanediol"	"CC[As](CC)SCC(O)CO"	0	""	""	2	2	406476	""
"724598"	"724598"	"S-(dipropylarsino)-3-mercapto-1,2-propanediol"	"CCC[As](CCC)SCC(O)CO"	0	""	""	2	2	406477	""
"724599"	"724599"	"S-(diisopropylarsino)-3-mercapto-1,2-propanediol"	"CC(C)[As](SCC(O)CO)C(C)C"	0	""	""	2	2	406478	""
"724600"	"724600"	"S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate"	"C[As](C)SCC(COC(=O)C)OC(=O)C"	0	""	""	2	2	406479	""
"724601"	"724601"	"S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate"	"CCCCCCCCC(=O)OCC(CS[As](C)C)OC(=O)CCCCCCCC"	0	""	""	2	2	406480	""
"724602"	"724602"	"S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate"	"C[As](C)SCC(COC(=O)c1ccccc1)OC(=O)c2ccccc2"	0	""	""	2	2	406481	""
"724603"	"724603"	"S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-p..."	"C[As](C)SCC(COC(=O)C(Cl)c1ccccc1)OC(=O)C(Cl)c2ccccc2"	0	""	""	2	2	406482	""
"724613"	"724613"	"Arylmethylene-Br"	"Brc1ccc(\C=C/2\SC3=NC4=C(CCOc5c4ccc6ccccc56)C(N3C2=O)c7ccc(Br)cc7)cc1"	0	""	""	1	1	5473237	""
"724615"	"724615"	"thiopyrimidine-CH3"	"Cc1ccc(cc1)C2NC(=S)NC3=C2CCOc4c3ccc5ccccc45"	0	""	""	1	1	5473238	""
"724619"	"724619"	"Arylmethylene thiazolo"	"Cc1ccc(cc1)C2N3C(=NC4=C2CCOc5c4ccc6ccccc56)S\C(=C\c7ccc(Br)cc7)\C3=O"	0	""	""	1	1	5473239	""
"724622"	"724622"	"Yliedene dicyano"	"N#CC(=C1CCCOc2c1ccc3ccccc23)C#N"	0	""	""	1	1	406495	""
"724623"	"724623"	"cyano pyridine -P-CH3"	"Cc1ccc(cc1)c2nc(N)c(C#N)c3c2CCOc4c3ccc5ccccc45"	0	""	""	2	2	406496	""
"724624"	"724624"	"cyanopyridine - OCH3"	"COc1ccc(cc1)c2nc(N)c(C#N)c3c2CCOc4c3ccc5ccccc45"	0	""	""	1	1	406497	""
"724625"	"724625"	"3-([2,3']Bisindolyl-3-yl)-4-(indol-3-yl)-1-methylpyrrole..."	"CN1C(=O)C(=C(C1=O)c2c([nH]c3ccccc23)c4c[nH]c5ccccc45)c6c[nH]c7ccccc67"	0	""	""	1	1	406498	""
"724627"	"724627"	"4,11-bis[(2-aminoethyl)amino]-1H-naphtho[2,3-f]indole-5,..."	"NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN)c4[nH]ccc14"	0	""	""	2	2	406500	""
"724628"	"724628"	"4,11-bis[[2-(dimethylamino)ethyl]-amino]-1H-naphtho[2,3-..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4[nH]ccc14"	0	""	""	2	2	406501	""
"724629"	"724629"	"4,11-bis[[2-[(2-hydroxyethyl)amino-]ethyl]amino]-1H-naph..."	"OCCNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNCCO)c4[nH]ccc14"	0	""	""	2	2	406502	""
"724631"	"724631"	"4,11-dihydroxy-1-[4-[[2-hydroxy-1-(hydroxymethyl)-1-meth..."	"CC(CO)(CO)NCCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	406504	""
"724632"	"724632"	"4,11-dihydroxy-1-[4-(1-piperidinyl)-butyl]-1H-naphtho[2,..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c1ccn4CCCCN5CCCCC5"	0	""	""	2	2	406505	""
"724633"	"724633"	"4,11-dihydroxy-1-[4-(4-morpholinyl)butyl]-1H-naphtho[2,3..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c1ccn4CCCCN5CCOCC5"	0	""	""	1	1	406506	""
"724634"	"724634"	"1-[4-(dimethylamino)butyl]-4,11-dihydroxy-1H-naphtho[2,3..."	"CN(C)CCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	406507	""
"724635"	"724635"	"4,11-dihydroxy-1-(4-{[2-hydroxy-1,1-bis(hydroxymethyl)et..."	"OCC(CO)(CO)NCCCCn1ccc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	2	2	406508	""
"724643"	"724643"	"4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C=NNC3=S)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572705	""
"724645"	"724645"	"3-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C(=S)NN=C3COc4ccc(Cl)cc4)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572707	""
"724647"	"724647"	"3-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione"	"COc1ccc(c2oc(\C=N\N3C(=S)NN=C3COc4ccc(Cl)cc4Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572709	""
"724652"	"724652"	"5-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione"	"COc1ccc(c2oc(\C=N\N3C(=NN(CN4CCOCC4)C3=S)COc5ccc(Cl)cc5Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572714	""
"724657"	"724657"	"MANNICH BASES"	"COc1ccc(c2oc(\C=N\N3C(=NN(CN4CCN(C)CC4)C3=S)COc5ccc(Cl)cc5Cl)cc2)c(c1)[N+](=O)[O-]"	0	""	""	1	1	9572719	""
"724662"	"724662"	"PYRAZOLINES"	"COc1ccc(cc1)C2=NNC(C2)c3oc(cc3)c4ccc(OC)cc4[N+](=O)[O-]"	0	""	""	1	1	406532	""
"724663"	"724663"	"PYRAZOLINES"	"COc1ccc(c2oc(cc2)C3CC(=NN3)c4ccc(O)cc4)c(c1)[N+](=O)[O-]"	0	""	""	1	1	406533	""
"724685"	"724685"	"3-Chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine"	"COc1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	2	2	406537	""
"724686"	"724686"	"(E)-4-[4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one"	"CC(=O)\C=C\c1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	1	1	5473262	""
"724693"	"724693"	"1-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]ethanone"	"CC(=O)c1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	406545	""
"724695"	"724695"	"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one"	"CC(=O)CCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	406547	""
"724696"	"724696"	"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-ol"	"CC(O)CCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	406548	""
"724697"	"724697"	"4-(Furo[2,3-b]quinolin-4-yloxy)benzaldehyde"	"O=Cc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	406549	""
"724698"	"724698"	"[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]methanol"	"OCc1ccc(Oc2c3ccoc3nc4ccccc24)cc1"	0	""	""	1	1	406550	""
"724700"	"724700"	"4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one"	"CC(=O)CCc1ccc(Oc2c3CCOc3nc4ccccc24)cc1"	0	""	""	1	1	406552	""
"724702"	"724702"	"5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4(1h)-one"	"COc1c2N(C)C=CC(=O)c2c(O)c3ccccc13"	0	""	""	2	2	406554	""
"724704"	"724704"	"Ethyl 5,10-dimethoxy-1-methyl-4-oxo-1,4-dihydrobenzo[g]quinoline-3-carboxylate"	"CCOC(=O)C1=CN(C)c2c(OC)c3ccccc3c(OC)c2C1=O"	0	""	""	1	1	406556	""
"724706"	"724706"	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester"	"CCOC(=O)C1=CNc2c(OCc3ccccc3)c4ccccc4c(O)c2C1=O"	0	""	""	2	2	5473266	""
"724707"	"724707"	"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid"	"OC(=O)C1=CNc2c(OCc3ccccc3)c4ccccc4c(O)c2C1=O"	0	""	""	1	1	5473267	""
"724771"	"724771"	"JS-K"	"CCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	9572720	""
"724778"	"724778"	"[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	2	2	54612585	""
"724779"	"724779"	"1-{[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluorometh..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)CN5CCN(CC6=C(O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]6[C@@]79OO8)C(F)(F)F)CC5"	0	""	""	2	2	54612639	""
"724780"	"724780"	"(1S,4R,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-dim..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COCCOCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	3	2	54612640	""
"724781"	"724781"	"(1S,4R,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-dime..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)COC\C=C\COCC5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	2	2	54612586	""
"724782"	"724782"	"(1S,4R,5R,8R,9R,12R,13S)-1,5,9-trimethyl-10-[(4-{[(1S,4R..."	"C[C@@H]1CC[C@H]2[C@@H](C)C(OC\C=C\COC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	54612641	""
"724783"	"724783"	"[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxat..."	"CC1CCC2C(=C(OC3OC4(C)CCC1C23OO4)C(F)(F)F)CN(CC5=C(OC6OC7(C)CCC8C(C)CCC5C68OO7)C(F)(F)F)CC9=C(OC%10OC%11(C)CCC%12C(C)CCC9C%10%12OO%11)C(F)(F)F"	0	""	""	1	1	406570	""
"724784"	"724784"	"(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-9-methylene-11,14,15,..."	"C[C@@H]1CC[C@H]2C(=C)C(OC\C=C\COC3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H](C3=C)[C@@]46OO5)O[C@@H]7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	54612587	""
"724794"	"724794"	"5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2Cc5ccccc5"	0	""	""	1	1	406582	""
"724802"	"724802"	"12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,11,-diketo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCNCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027811	""
"724818"	"724818"	"1-ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy..."	"CCNC(=O)Nc1ccc(Oc2ccnc3ccc4c(ccn4C)c23)cc1"	0	""	""	1	1	406604	""
"724827"	"724827"	"1,4-di-N-oxide-6,7-difluoro-2-ethylcarbonyl-3-trifluorom..."	"CCC(=O)c1c([n+]([O-])c2cc(F)c(F)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	406607	""
"724828"	"724828"	"1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline"	"CC(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	406608	""
"724854"	"724854"	"1-Methyl-1H-4,5,6,7,8-pentahia-1-aza-azulene"	"Cn1ccc2SSSSSc12"	0	""	""	1	1	406614	""
"724855"	"724855"	"N,N,N,N-Tetraethyl-thieno[3,4-f][1,2,3,4,5]pentathiepi..."	"CCN(CC)c1sc(N(CC)CC)c2SSSSSc12"	0	""	""	2	1	406615	""
"724858"	"724858"	"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide"	"CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCc4c[nH]c5ccccc45)cn3C)cn2C)cn1C"	0	""	""	1	1	406618	""
"724864"	"724864"	"2-[(3,4-dimethoxy)anilino]-3-phenyl-5,7-diaminoquinoxaline"	"COc1ccc(Nc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1OC"	0	""	""	1	1	406624	""
"724865"	"724865"	"2-[(3,4-dimethoxy)benzylamino]-3-phenyl-5,7-diaminoquino..."	"COc1ccc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1OC"	0	""	""	2	2	406625	""
"724867"	"724867"	"Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoy..."	"CCOC(=O)C1CCCCN1C(=O)c2ccc(Nc3cnc4cc(ccc4n3)C(F)(F)F)cc2"	0	""	""	1	1	406627	""
"724873"	"724873"	"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylb..."	"Cc1ccc(cc1)\C(=N\Nc2ccc(cc2)[N+](=O)[O-])\Sc3cc(Cl)c(C)cc3S(=O)(=O)N"	0	""	""	2	1	9572722	""
"724874"	"724874"	"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxy..."	"COc1ccc(cc1)\C(=N\Nc2ccc(cc2)[N+](=O)[O-])\Sc3cc(Cl)c(C)cc3S(=O)(=O)N"	0	""	""	2	1	9572723	""
"724875"	"724875"	"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxy..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc(O)cc3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	135436457	""
"724877"	"724877"	"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtyl..."	"Cc1cc(c(S\C(=N/Nc2ccc(cc2)[N+](=O)[O-])\c3ccc4ccccc4c3)cc1Cl)S(=O)(=O)N"	0	""	""	1	1	9572725	""
"724904"	"724904"	"N-methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2..."	"CNN\C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1SCc2ccccc2)\N=C\c3ccc(s3)[N+](=O)[O-]"	0	""	""	2	2	9572730	""
"724907"	"724907"	"8-Chloro-7-cyano-3-(1-naphthylamino)-5,5-dioxo[1,2,4]tri..."	"Clc1cc2Sc3nnc(Nc4cccc5ccccc45)n3S(=O)(=O)c2cc1C#N"	0	""	""	1	1	406667	""
"724910"	"724910"	"Artemisinin Dimer"	"C[C@@H]1CCC2[C@@H](C)[C@@H](OCC(CO[C@H]3OC4O[C@@]5(C)CC[C@H]6[C@H](C)CCC([C@H]3C)[C@@]46OO5)OC(=O)CCC(=O)O)OC7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	54608484	""
"724946"	"724946"	"4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-..."	"C(Sc1nc(\N=C/c2cccs2)c3cn[nH]c3n1)c4ccccc4"	0	""	""	1	1	406681	""
"724949"	"724949"	"6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo..."	"Oc1ccccc1\C=N/c2nc(SCc3ccccc3)nc4[nH]ncc24"	0	""	""	1	1	406684	""
"724950"	"724950"	"4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine"	"CCCCSc1nc(N)c2cn[nH]c2n1"	0	""	""	2	2	406685	""
"724954"	"724954"	"4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine"	"CCSc1nc(N)c2cn[nH]c2n1"	0	""	""	1	1	406689	""
"724955"	"724955"	"6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]..."	"CCSc1nc(\N=C/c2cccs2)c3cn[nH]c3n1"	0	""	""	1	1	406690	""
"724957"	"724957"	"6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[..."	"CCSc1nc(\N=C/c2ccccc2O)c3cn[nH]c3n1"	0	""	""	1	1	406692	""
"724958"	"724958"	"4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine"	"Nc1nc(OCc2ccccc2)nc3[nH]ncc13"	0	""	""	1	1	406693	""
"724967"	"724967"	"1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione"	"CC12CCC(=O)C(O1)C3C2C(=O)c4cc5ccccc5cc4C3=O"	0	""	""	1	1	406702	""
"724968"	"724968"	"1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione"	"CC12CCC(=O)C(O1)C3C2C(=O)c4c(ccc5c4ccc6ccccc56)C3=O"	0	""	""	2	1	406703	""
"724970"	"724970"	"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione"	"CC12OC(C3C1C(=O)c4c(ccc5c4ccc6ccccc56)C3=O)C(=O)C27CCC7"	0	""	""	1	1	406705	""
"724971"	"724971"	"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4c(O)ccc(O)c4C3=O)C(=O)C25CCC5"	0	""	""	2	2	406706	""
"724975"	"724975"	"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4ccccc4C3=O)C(=O)C25CC5"	0	""	""	1	1	406710	""
"724976"	"724976"	"2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4ccccc4C3=O)C(=O)C25CC5C=C"	0	""	""	2	1	406711	""
"724979"	"724979"	"2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione"	"CC12OC(C3C1C(=O)c4c(O)ccc(O)c4C3=O)C(=O)C25CC5C=C"	0	""	""	2	2	406714	""
"724982"	"724982"	"20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6ccccc6C5=O"	0	""	""	1	1	406717	""
"724983"	"724983"	"24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6cc7ccccc7cc6C5=O"	0	""	""	1	1	406718	""
"724984"	"724984"	"28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione"	"CC1(C)C2CCC13C(=O)C4OC3(C2)C5C4C(=O)c6ccc7c(ccc8ccccc78)c6C5=O"	0	""	""	2	1	406719	""
"724994"	"724994"	"2-[(Dimethylamino)-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,..."	"COc1cc2C(=O)N(CCN(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	44369013	""
"724995"	"724995"	"3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCN3CCN(CCO)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	16090543	""
"724996"	"724996"	"6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,6-di..."	"COc1cc2C(=O)N(CCCNCCNCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027813	""
"724997"	"724997"	"6-{3-[3,3-(3-Amino-propylamino)-(propylamino)-propylamin..."	"COc1cc2C(=O)N(CCCNCCCNCCCNCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027814	""
"724998"	"724998"	"LMP-400"	"COc1cc2C(=O)N(CCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	"Clinical trial"	2	2	11533060	""
"725004"	"725004"	"Methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate"	"COC(=O)C(=C)[C@@H]1CC2OC1C(=O)C(C)CCC\C(=C\CC[C@@]2(C)O)\C"	0	""	""	1	1	5473307	""
"725013"	"725013"	"3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisocoumarin (Thunbe..."	"Oc1cc(O)c2C(=O)OC(=Cc2c1)c3ccc(O)c(O)c3"	0	""	""	1	1	5473310	"147666817"
"725016"	"725016"	"6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin"	"CC1=C(OC(=O)c2c(O)cc(O)cc12)c3ccc(O)c(O)c3"	0	""	""	1	1	5473311	""
"725021"	"725021"	"N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid"	"CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)N)C(C)C)C(=O)N"	0	""	""	1	1	406741	""
"725024"	"725024"	"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2C3CCCCC3)c4ccc(Cl)cc4"	0	""	""	2	2	3006484	""
"725025"	"725025"	"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione"	"Oc1cn(nc1C2=NNC(=S)N2c3ccc(F)cc3)c4ccc(Cl)cc4"	0	""	""	1	1	3006483	""
"725026"	"725026"	"5-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one"	"Oc1cn(nc1C2=NNC(=O)O2)c3ccc(Cl)cc3"	0	""	""	2	2	406746	""
"725047"	"725047"	"5,6-Dihydro-5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-1..."	"CC(C)(C)OC(=O)NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	11304253	""
"725048"	"725048"	"2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile"	"Cl\C(=C/C=C(C#N)C#N)\c1ccc(Cl)cc1"	0	""	""	2	2	5473313	""
"725050"	"725050"	"2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyl..."	"Fc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2ccc(Cl)cc2"	0	""	""	2	2	5372567	""
"725051"	"725051"	"[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolyla..."	"Cc1ccc(N\C(=C/C=N/c2ccc(C)cc2)\c3ccc(Cl)cc3)cc1"	0	""	""	1	1	5473315	""
"725052"	"725052"	"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-all..."	"Clc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	2	2	5473316	""
"725053"	"725053"	"5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic a..."	"CCOC(=O)\C(=C/C=C(\Cl)/c1ccc(Cl)cc1)\C#N"	0	""	""	2	1	5473317	""
"725057"	"725057"	"S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimi..."	"CS\C(=N\C#N)\S\C=C\C(=O)c1cccc2ccccc12"	0	""	""	1	1	9572732	""
"725058"	"725058"	"S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodi..."	"Cc1cccc(c1)C(=O)\C=C\S\C(=N/C#N)\SCc2ccccc2"	0	""	""	1	1	9572733	""
"725059"	"725059"	"1-(4-Chloro-phneyl)-3-[4-(3-chloro-phenyl)-piperazin-1-y..."	"Clc1ccc(cc1)C(=O)\C=C\N2CCN(CC2)c3cccc(Cl)c3"	0	""	""	1	1	1046791	""
"725060"	"725060"	"1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-..."	"FC(F)(F)c1cccc(c1)N2CCN(CC2)\C=C\C(=O)c3ccc(Cl)cc3Cl"	0	""	""	1	1	5473323	""
"725062"	"725062"	"3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl..."	"Clc1ccc(cc1)C(=O)\C=C\OC(=O)c2cccc(Cl)c2"	0	""	""	2	1	5473325	""
"725063"	"725063"	"5-Chloro-5-(4-chloro-phenyl)-2-cyano-penta-2,4-dienoic a..."	"NC(=O)\C(=C/C=C(\Cl)/c1ccc(Cl)cc1)\C#N"	0	""	""	2	2	5473326	""
"725066"	"725066"	"1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione"	"Fc1cccc(c1)N2C=CC(=NC2=S)c3ccccc3"	0	""	""	2	2	406781	""
"725067"	"725067"	"S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodi..."	"CS\C(=N/C#N)\S\C=C\C(=O)c1ccccc1"	0	""	""	1	1	9572734	""
"725076"	"725076"	"5-Chloro-3-(1-phenyl-1H-tetrazol-5-yl)-1H-indole"	"Clc1ccc2[nH]cc(c3nnnn3c4ccccc4)c2c1"	0	""	""	2	2	406791	""
"725091"	"725091"	""	"CC(=O)OCC1OC(OC2CCCC[Si](O2)(c3ccccc3)c4ccccc4)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	1	1	NA	""
"725093"	"725093"	"2-[(E)-[6-(2,5-Dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sccn3c2\C=N\NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	9572735	""
"725098"	"725098"	"(3E)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(C)nc2s1"	0	""	""	2	2	5473339	""
"725099"	"725099"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one"	"COc1ccc2N(C)C(=O)\C(=C\c3c(C)nc4sc(C)cn34)\c2c1"	0	""	""	1	1	5473340	""
"725100"	"725100"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(C)nc2s1"	0	""	""	2	2	5473341	""
"725104"	"725104"	"N'-Carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1ccc(cc1OC)c2nc3sccn3c2C(=N)NC(=N)N"	0	""	""	1	1	9572737	""
"725107"	"725107"	"14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione"	"O=C1C=CC(=O)c2c1ncc3c2nc4sccn34"	0	""	""	1	1	406815	""
"725109"	"725109"	"4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene"	"COc1cc2ncc3c(nc4sccn34)c2cc1OC"	0	""	""	1	1	406818	""
"725126"	"725126"	"3,4-Dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one"	"CC(C)CC1=C2C(C(O)C(=C)C13CC3)C(O)C(C)(C)C2=O"	0	""	""	1	1	406835	""
"725191"	"725191"	"1,6-bis[(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluoro..."	"C[C@@H]1CC[C@H]2C(=C(O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)C(F)(F)F)C(O)CCCCC(O)C5=C(O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(F)(F)F"	0	""	""	1	1	54612623	""
"725202"	"725202"	"(7Z)-7-[[5-(2-Chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Cc1nnc2S\C(=C/c3oc(cc3)c4ccc(cc4Cl)[N+](=O)[O-])\C(=Nn12)c5ccc(Cl)cc5Cl"	0	""	""	1	1	5473360	""
"725206"	"725206"	"N-(3-Chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine"	"Fc1ccc(Nc2ncc(s2)c3cc(F)c(Cl)cc3Cl)cc1Cl"	0	""	""	1	1	406887	""
"725260"	"725260"	"phenylpurine phosphoroamidate ester"	"COC(=O)C(C)NP(=O)(OCc1ccc(Cn2cnc3c(N)ncnc23)cc1)Oc4ccccc4"	0	""	""	2	1	406930	""
"725536"	"725536"	"1,4-di-N-oxide-6,7-difluor-2-ethoxycarbonyl-3-methylquin..."	"CCOC(=O)c1c(C)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-]"	0	""	""	2	2	4918469	""
"725539"	"725539"	"1,4-di-N-oxide-2-cyano-3-(4-clhloro)phenylquinoxaline"	"[O-][n+]1c(C#N)c(c2ccc(Cl)cc2)[n+]([O-])c3ccccc13"	0	""	""	1	1	11594562	""
"725604"	"725604"	"1-[3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol"	"Oc1ccc2ccccc2c1\C=N\CCC\N=C\c3c(O)ccc4ccccc34"	0	""	""	1	1	5254937	""
"725623"	"725623"	"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#Cc2cccs2"	0	""	""	1	1	11357398	""
"725625"	"725625"	"2-[(3Z,9Z)-12-(2-Cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile"	"N#Cc1ccccc1C#C\C=C/C#CC#C\C=C/C#Cc2ccccc2C#N"	0	""	""	1	1	24202651	""
"725660"	"725660"	"N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea"	"S=C(Nc1ccc(cc1)c2nc3ccccc3s2)Nc4ccccn4"	0	""	""	2	1	24202656	""
"725664"	"725664"	"N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea"	"Clc1ccc(NC(=S)Nc2ccc(cc2)c3oc4ccccc4n3)cc1"	0	""	""	1	1	24202660	""
"725665"	"725665"	"12-(2'-Aminoethylidene)-5,6-dihydro-5,11-diketo-2,3-dime..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	11452147	""
"725666"	"725666"	"6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCNCCN3CCOCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	3	3	16090544	""
"725669"	"725669"	"5,6-Dihydro-5,11-dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,..."	"NCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	11370830	""
"725670"	"725670"	"5,6-Dihydro-5,11-dioxo-6-(2-N-piperazine-1-ethyl)-11H-in..."	"O=C1N(CCN2CCNCC2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	1	1	11291330	""
"725671"	"725671"	"5,6-Dihydro-5,11-dioxo-6-(3-amino-1-propyl)-11H-indeno[1..."	"NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	3	2	11427798	""
"725674"	"725674"	"N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea"	"Clc1ccc(NC(=S)Nc2ccc(cc2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	24202662	""
"725700"	"725700"	"[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate"	"CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)C1OC2OC(C)C(OC(=O)CCC)C(OC(=O)C(C)C)C2O"	0	""	""	1	1	24202677	""
"725734"	"725734"	"BIS-TRIAZOLES"	"CN(C)c1ccc(\C=N\n2c(S)nnc2CCCCc3nnc(S)n3\N=C\c4ccc(cc4)N(C)C)cc1"	0	""	""	1	1	10918644	""
"725752"	"725752"	"pareitropone"	"COc1cc2ccnc3C4=C(C=CC(=O)C=C4)c(c1OC)c23"	0	""	""	1	1	10469514	""
"725774"	"725774"	"6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,6-dihydro-2,3-~..."	"COc1cc2C(=O)N(CCCN(CCO)CCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	10346993	""
"725775"	"725775"	"6-[(3-Thiazolylamino)-1-propyl]-5,6-dihydro-2,3-dimethox..."	"COc1cc2C(=O)N(CCCNC3=NCCS3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	45027819	""
"725776"	"725776"	"LMP776"	"COc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	"Clinical trial"	2	2	45027820	"915303047"
"725777"	"725777"	"3-[(1-Methylpiperazine)-1-propyl]-5,6-dihydro-2,3-dimeth..."	"COc1cc2C(=O)N(CCCN3CCN(C)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	1	1	16090538	""
"725846"	"725846"	"N-[3-Benzyl-3,4-dihydro-4-oxothieno[3,4-e]pyrimidin-2-yl..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3cscc3C(=O)N2Cc4ccccc4"	0	""	""	1	1	24202747	""
"725848"	"725848"	"4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)..."	"Cc1cc(c(S)cc1Cl)S(=O)(=O)NC2=Nc3ccccc3C(=O)N2Cc4occc4"	0	""	""	1	1	24202749	""
"725856"	"725856"	"GCHCAFIIXGRBLS-UHFFFAOYSA-"	"S=C1SN=C2NCCN12"	0	""	""	1	1	135405388	""
"725901"	"725901"	"4,4'-(1,4-piperazinediyl)bisbenzenecarboximidamide, dihy..."	"NC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)N"	0	""	""	2	1	24202755	"123885927"
"725903"	"725903"	"N,N'-dubutyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxam..."	"CCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCC"	0	""	""	3	2	24202756	""
"725985"	"725985"	"3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC3OC(CC3O)N4C=C(F)C(=O)NC4=O)C(O)(C#C)C2O"	0	""	""	2	2	24202801	""
"725987"	"725987"	"N,N'-dibenzyl 4,4'-(1,4-piperazinediyl)bisbenzenedicarbo..."	"N=C(NCc1ccccc1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NCc5ccccc5"	0	""	""	2	2	24202803	""
"725988"	"725988"	"4,4'-(1,4-piperazinediyl)bisbenzaldehyde"	"O=Cc1ccc(cc1)N2CCN(CC2)c3ccc(C=O)cc3"	0	""	""	1	1	3006251	"10159394"
"725993"	"725993"	"1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine"	"C1CN(CCN1c2ccc(cc2)c3nc4ccccc4[nH]3)c5ccc(cc5)c6nc7ccccc7[nH]6"	0	""	""	1	1	24202806	""
"726031"	"726031"	"2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide"	"CCn1c2ccccc2c3cc(\C=C(\C#N)/C(=S)N)ccc13"	0	""	""	2	2	24202813	""
"726033"	"726033"	"(2Z)-2-amino-3-{[(1E)-1-benzothien-3-ylmethylene]amino}b..."	"N\C(=C(/N=C/c1csc2ccccc12)\C#N)\C#N"	0	""	""	1	1	24202815	""
"726045"	"726045"	"sarcoviolin"	"CCC(C)C1=C(O)[N+]2([O-])Oc3ccc(cc3OC2(C(C)CC)C(=O)N1O)C4=C(O)C(=C(C(=O)C4=O)c5ccc(O)cc5)O"	0	""	""	1	1	24202820	""
"726085"	"726085"	"Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester"	"COc1ccc(cc1OC)C2C(COC(=O)C)C(=C)C(=O)c3sccc23"	0	""	""	2	2	24202844	""
"726086"	"726086"	"2,5-di(2-thienyl)furan-3,4-dimethanol"	"OCc1c(CO)c(oc1c2cccs2)c3cccs3"	0	""	""	1	1	12013259	""
"726087"	"726087"	"1,7-Dimethyl-4-(4-dimethylaminobenzyliden)-4H-pyrazolo[1..."	"CN(C)c1ccc(\C=C/2\c3ccc(C)cc3n4c2cc(c5ccccc5)[n+]4C)cc1"	0	""	""	2	2	24202845	""
"726089"	"726089"	"11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-in..."	"COc1ccc2c3\C(=C/c4ccc(cc4)N(C)C)\c5ccccc5n3[n+](C)c2c1"	0	""	""	2	2	24202849	""
"726111"	"726111"	"2-Methylthiazolidine-2,4-dicarbonylic acid- di-sodium salt"	"C[C@@]1(N[C@@H](CS1)C(=O)O)C(=O)O"	0	""	""	1	1	54612624	""
"726112"	"726112"	"12-(4'-Phthalimidobutylidene)-5,6-dihydro-5,11-diketo-2,..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCN4C(=O)c5ccccc5C4=O)\c6cc7OCOc7cc36)c2cc1OC"	0	""	""	1	1	45027827	""
"726125"	"726125"	"7-acetyl-6-hydroxy-3-methylbenzofuran carboxylic acid"	"CC(=O)c1c(O)ccc2c(C)c(oc12)C(=O)O"	0	""	""	1	1	12334349	""
"726133"	"726133"	"4a,5a-Epoxyhelianol"	"C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3CC[C@]4(OC4(C)C)C(CCCO)[C@]3(C)CC[C@@]12C"	0	""	""	1	1	24202869	""
"726144"	"726144"	"Waol A FD-211"	"C\C=C\[C@H]1O[C@H]2[C@@H](OC(=O)C2=C[C@H]1O)\C=C\C"	0	""	""	2	2	10354084	""
"726146"	"726146"	"(2S,3S,7As)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one"	"C\C=C\[C@@H]1O[C@@H]2COC(=O)C2=C[C@@H]1O"	0	""	""	2	2	24202877	""
"726150"	"726150"	"N,N'-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]hom..."	"C1CNC(=NC1)c2ccc(cc2)N3CCCN(CC3)c4ccc(cc4)C5=NCCCN5"	0	""	""	1	1	24202881	""
"726151"	"726151"	"N,N'-bis(4-amidinophenyl)homopiperazine"	"NC(=N)c1ccc(cc1)N2CCCN(CC2)c3ccc(cc3)C(=N)N"	0	""	""	1	1	24202882	""
"726152"	"726152"	"1,4-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]pipe..."	"C1CNC(=NC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C5=NCCCN5"	0	""	""	2	1	24202883	""
"726175"	"726175"	"gersemolide"	"CC(=C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)\C=C(\C)/C(=O)C1"	0	""	""	1	1	12000066	"106231281"
"726178"	"726178"	"2-[2-(5-Bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol"	"COC(C(O)CC1(C)CC(O)CC(C)(O1)C2CCC3OC(CCC3(C)O2)C4(C)CCC(Br)C(C)(C)O4)C(=C)C"	0	""	""	2	1	24202892	""
"726180"	"726180"	"Methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate"	"COC(=O)C1(CC1)C2CC\C(=C\CC\C(=C\CC[C@@]3(C)O[C@@H]3C2)\C)\C"	0	""	""	2	1	24202894	""
"726181"	"726181"	"(4S,7S,8E,12R)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one"	"CC(C)\C\1=C\[C@@H](C(=C)C)C(=O)C[C@@H](C)CCC2O[C@]2(C)CC1"	0	""	""	2	1	24202895	""
"726184"	"726184"	"1,4-di-N-oxide-2-cyano-6,7-difluoro-3-(4-methyl)phenylqu..."	"Cc1ccc(cc1)c2c(C#N)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-]"	0	""	""	1	1	11702372	""
"726185"	"726185"	"1,4-di-N-oxide-2-cyano-6,7-dichloro-3-(4-methyloxycarbon..."	"COC(=O)c1ccc(cc1)c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-]"	0	""	""	1	1	11509356	""
"726186"	"726186"	"1,4-di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquin..."	"CC(C)C(=O)c1c([n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	24202896	""
"726194"	"726194"	"2-ethyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimid..."	"CCC1=Nc2ccccc2C(=O)N1c3nc(N)c(c(CC)n3)c4ccc(Cl)cc4"	0	""	""	2	2	24202901	""
"726195"	"726195"	"2-phenyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimi..."	"CCc1nc(nc(N)c1c2ccc(Cl)cc2)N3C(=O)c4ccccc4N=C3c5ccccc5"	0	""	""	1	1	24202902	""
"726197"	"726197"	"(5aR,6aS,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,..."	"COC(=O)C1=C2CO[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C)C(=CC1)[C@]23C"	0	""	""	1	1	12114764	""
"726198"	"726198"	"(3aS,4S,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetrame..."	"COC1O[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)C4=CCCC1[C@]24C"	0	""	""	1	1	24202903	""
"726216"	"726216"	"3-(3,4,5-trimethoxyphenyl)-4-phenyl-2(5H)-furanone"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)c3ccccc3"	0	""	""	2	2	24202904	""
"726217"	"726217"	"Combretastatin A4-analogue"	"COc1ccc(cc1OC)C2=C(C(=O)OC2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	11069089	""
"726241"	"726241"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	1	1	11849558	""
"726247"	"726247"	"4-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5H)..."	"Oc1ccc(cc1O)C2=C(C(=O)OC2)c3cc(O)c(O)c(O)c3"	0	""	""	1	1	10881608	""
"726262"	"726262"	"1,1'-{[(bispropane-1,N-diyl)piperzine]dioxy}bis[(11aS)-7..."	"COc1cc2C(=O)C3CCC[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7CCCC7C(=O)c6cc5OC)CC4"	0	""	""	2	2	24202913	""
"726267"	"726267"	"4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol"	"Oc1ccc(cc1)c2nnc3sc(nn23)c4ccc(F)c(Oc5ccccc5)c4"	0	""	""	1	1	135585388	""
"726270"	"726270"	"N-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline"	"Fc1ccc(cc1)c2nn3c(CNc4ccccc4)nnc3s2"	0	""	""	1	1	11198142	""
"726272"	"726272"	"3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Oc2ccccc2)c3nn4c(COc5ccc(Cl)cc5)nnc4s3"	0	""	""	2	1	11236342	""
"726273"	"726273"	"3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Oc2ccccc2)c3nn4c(COc5ccc(Cl)cc5Cl)nnc4s3"	0	""	""	1	1	11237125	""
"726291"	"726291"	"dehydrospongistatin 2"	"CO[C@H]1C[C@H]2CC(=O)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)C(=C)C[C@H]3C[C@](C)(O)C[C@@]4(C[C@H](C[C@H](CC(=O)O[C@@H]5[C@@H](C)C(O[C@H](CC(=C)C[C@H](O)\C=C\C=C)[C@H]5O)[C@H](O)[C@]6(O)O[C@H](CCC\C=C/[C@H]7C[C@H](O)CC(C1)(O2)O7)[C@H](C)C=C6)O4)OC(=O)C)O3"	0	""	""	3	2	24202926	""
"726305"	"726305"	"4-[(E)-(4-Fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione"	"Cc1nnc(S)n1\N=C\c2ccc(F)c(Oc3ccccc3)c2"	0	""	""	1	1	24202928	""
"726310"	"726310"	"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3SCCn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	24202930	""
"726311"	"726311"	"N'-Carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	2	2	24202932	""
"726312"	"726312"	"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(C)cn3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	24202934	""
"726315"	"726315"	"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(C)c(C)n3c2C(=N)NC(=N)N)[N+](=O)[O-]"	0	""	""	1	1	24202940	""
"726327"	"726327"	"3-bromo-4-(1-hexynyl)-2(5H)-furanone"	"CCCCC#CC1=C(Br)C(=O)OC1"	0	""	""	2	2	10466937	""
"726328"	"726328"	"3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone"	"CC(C)(C)C#CC1=C(Br)C(=O)OC1"	0	""	""	2	2	11413833	""
"726329"	"726329"	"3-Bromo-4-phenylethynyl-2(5H)-furanone"	"BrC1=C(COC1=O)C#Cc2ccccc2"	0	""	""	2	2	10422840	""
"726331"	"726331"	"6-[2-Amino-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027828	""
"726332"	"726332"	"6-[3-((2,2-Dimethoxyethylamino)-1-propyl)]-5,6-dihydro-2..."	"COC(CNCCCN1C(=O)c2cc(OC)c(OC)cc2C3=C1c4cc5OCOc5cc4C3=O)OC"	0	""	""	2	2	11363962	""
"726364"	"726364"	"(8R)-8-Hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one"	"COc1cc2C(=O)N3C[C@H](O)CC3C=Nc2cc1OCc4ccccc4"	0	""	""	2	2	24202949	""
"726365"	"726365"	"N-[4-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	1	1	20826874	""
"726367"	"726367"	"N-[6-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide"	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCNC(=O)c4cc5ccccc5[nH]4"	0	""	""	1	1	20826872	""
"726373"	"726373"	"(Z)-2-(9H-Carbazol-2-yloxy)-N-methoxy-1-(4-methoxyphenyl)ethanimine"	"CO\N=C(/COc1ccc2c(c1)[nH]c3ccccc23)\c4ccc(OC)cc4"	0	""	""	1	1	11405724	""
"726390"	"726390"	"7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one"	"O\N=C(\COc1ccc2C(=O)C(=COc2c1)c3ccccc3)/c4ccccc4"	0	""	""	1	1	24202958	""
"726391"	"726391"	"7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one"	"O\N=C(\COc1ccc2C(=O)C(=COc2c1)c3ccccc3)/c4ccc(F)cc4"	0	""	""	1	1	24202959	""
"726393"	"726393"	"7-[(2E)-2-Methoxyiminopropoxy]-3-phenylchromen-4-one"	"CO\N=C(/C)\COc1ccc2C(=O)C(=COc2c1)c3ccccc3"	0	""	""	1	1	24202961	""
"726398"	"726398"	"3-[(2Z)-2-Methoxyimino-2-phenylethoxy]xanthen-9-one"	"CO\N=C(/COc1ccc2C(=O)c3ccccc3Oc2c1)\c4ccccc4"	0	""	""	1	1	24202966	""
"726423"	"726423"	"arylidene-4-chloro"	"Fc1ccc2CCC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1"	0	""	""	1	1	24202977	""
"726431"	"726431"	"pyrane"	"COc1ccc(cc1OC)C2C3=C(OC(=C2C#N)N)c4cc(F)ccc4CCC3"	0	""	""	2	1	24202985	""
"726432"	"726432"	"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile"	"COc1ccc(cc1OC)c2c3CCCc4ccc(F)cc4c3nc(N)c2C#N"	0	""	""	2	2	24202986	""
"726434"	"726434"	"4,11-bis[(2-aminoethyl)amino]-1-methyl-1H-naphtho[2,3-f]..."	"Cn1ccc2c(NCCN)c3C(=O)c4ccccc4C(=O)c3c(NCCN)c12"	0	""	""	2	2	24202987	""
"726436"	"726436"	"4,11-bis[[2-(methylamino)ethyl]amino]-1H-naphtho[2,3-f]i..."	"CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c4[nH]ccc14"	0	""	""	2	2	16007259	""
"726439"	"726439"	"3-[(dimethylamino)methyl]-4,11-dihydroxy-1H-naphtho[2,3-..."	"CN(C)Cc1c[nH]c2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12"	0	""	""	1	1	135585398	""
"726440"	"726440"	"4,11-dihydroxy-3-(1-piperazinylmethyl)-1H-naphtho[2,3-f]..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c(CN5CCNCC5)c[nH]c14"	0	""	""	2	2	135585399	""
"726441"	"726441"	"4,11-dihydroxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-nap..."	"CN1CCN(Cc2c[nH]c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC1"	0	""	""	1	1	135585400	""
"726442"	"726442"	"4,11-dihydroxy-3-{[4-(2-hydroxyethyl)-1-piperazinyl]meth..."	"OCCN1CCN(Cc2c[nH]c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)CC1"	0	""	""	2	2	135585401	""
"726444"	"726444"	"4,11-bis[[2-(methylamino)ethyl]amino]-3-[(dimethylamino)..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4c(CN(C)C)c[nH]c14"	0	""	""	2	2	24203002	""
"726445"	"726445"	"4,11-bis{[2-(dimethylamino)ethyl]amino}-3-(hydroxymethyl..."	"CN(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN(C)C)c4c(CO)c[nH]c14"	0	""	""	2	2	24203003	""
"726449"	"726449"	"4,11- bis[(2-aminoethyl)amino]-3-(hydroxymethyl)-1H-naph..."	"NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCN)c4c(CO)c[nH]c14"	0	""	""	1	1	24203007	""
"726458"	"726458"	"(2R,5R)-2-palmitoylamido-(3E)-octadecen-1,5-diol)"	"CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)\C=C\[C@H](O)CCCCCCCCCCCCC"	0	""	""	1	1	54612643	""
"726510"	"726510"	"12-(4'-Phthalylaminopentylidene)-5,6-dihydro-5,11-diketo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCN4C(=O)c5ccccc5C4=O)\c6cc7OCOc7cc36)c2cc1OC"	0	""	""	1	1	45027829	""
"726512"	"726512"	"phloeodictine A 1"	"[Cl-].[Cl-].NC(=N)NCCCCC[N+]1=C2C=CC(O)(CCCCCCCCCCC=C)N2CCC1"	0	""	""	2	2	24203015	"155070294"
"726528"	"726528"	"7-methoxy-8-{4-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd..."	"COc1cc2C(=O)N3CCC[C@H]3CNc2cc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	10415114	""
"726576"	"726576"	"dechlorinated rebeccamycin"	"COC1C(CO)OC(C(O)C1O)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	24203043	""
"726577"	"726577"	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride"	"COC1C(CO)OC(C(OC(=O)C(N)CCCCN)C1O)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	24203044	""
"726578"	"726578"	"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride"	"COC1C(CO)OC(C(O)C1OC(=O)C(N)CCCCN)n2c3ccccc3c4c5C(=O)NC(=O)c5c6c7ccccc7[nH]c6c24"	0	""	""	2	2	24203046	""
"726616"	"726616"	"oxadiazole"	"CN1CCN(CN2N=C(OC2=S)c3cc(F)c(Cl)cc3Cl)CC1"	0	""	""	1	1	11383327	""
"726625"	"726625"	"thiadiazines"	"Fc1cc(C2=Nn3c(SC2)nnc3c4cc(F)c(Cl)cc4Cl)c(Cl)cc1Cl"	0	""	""	1	1	24203066	""
"726627"	"726627"	"thiadiazines"	"Fc1cc(c(Cl)cc1Cl)c2nnc3SCC(=Nn23)c4ccc(Cl)cc4"	0	""	""	2	2	24203068	""
"726630"	"726630"	"Belinostat"	"ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc2ccccc2"	0	"HDAC"	"FDA approved"	3	2	6918638	"414864009"
"726671"	"726671"	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	2	2	11279826	""
"726718"	"726718"	"3-(Benzothiazol-6-ylamino)-7-chloro-8-methyl-1,1,-dioxo-..."	"Cc1cc2c(S\C(=C\C(=O)O)\C(=NS2(=O)=O)Nc3ccc4ncsc4c3)cc1Cl"	0	NA	NA	3	2	NA	""
"726721"	"726721"	"8-Chloro-3-phenyl-7-methyl-5,5-dioxo-2H-pyrrolo[2,3-c][1..."	"Cc1cc2c(SC3=CC(=O)N(C3=NS2(=O)=O)c4ccccc4)cc1Cl"	0	""	""	1	1	24203097	""
"726764"	"726764"	"11-[2'(S),6'-Diaminohexylidene]-5,6-dihydro-5-keto-2,3-d..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\[C@@H](N)CCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	11305794	""
"726766"	"726766"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	1	1	11849641	""
"726767"	"726767"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	45027830	""
"726768"	"726768"	"5,6-Dihydro-6-[(4-tert-butyloxycarbonylamino)-1-butyl]-5..."	"CC(C)(C)OC(=O)NCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	11486911	""
"726769"	"726769"	"5,6-Dihydro-6-(4-amino-1-butyl)-5,11-dioxo-11H-indeno{1,..."	"NCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	10338254	""
"726770"	"726770"	"Cis-6-(2-dimethylamino-1-ethyl)-5,6,12,13-tetrahydro-2,3..."	"COc1cc2[C@H]3[C@@H](N(CCN(C)C)C(=O)c2cc1OC)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	45027831	""
"726771"	"726771"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	11849642	""
"726794"	"726794"	"cps42"	"Cc1ccc(C)c2C(=O)N(C(=O)c12)c3ccc(F)cc3F"	0	""	""	1	1	9900551	""
"726795"	"726795"	"cps45"	"CCC1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(C1=O)c4ccccc4"	0	""	""	1	1	9933393	""
"726796"	"726796"	"cps49"	"Fc1ccc(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)c(F)c1"	0	""	""	2	2	9905583	""
"726858"	"726858"	"6-(hexynyl)-2(2H)-pyranone"	"CCCCC#CC1=CC=CC(=O)O1"	0	""	""	1	1	24203137	""
"726861"	"726861"	"6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone"	"O=C1OC(=CC=C1)C#CCCCCOC2CCCO2"	0	""	""	3	1	24203140	""
"726863"	"726863"	"6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone"	"O=C1OC(=CC=C1)C#CC#CC2=CCCCC2"	0	""	""	3	2	10263039	""
"726885"	"726885"	"2-[(E)-(2-Methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccnc3"	0	""	""	1	1	24203146	""
"726890"	"726890"	"Ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride"	"CCOC(=O)c1nc2sc(Cl)cn2c1\C=N\NC(=N)N"	0	""	""	2	1	24203150	""
"726893"	"726893"	"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(Cl)[nH]c4ccc(OC)cc34)\c2c1"	0	""	""	1	1	10784359	""
"726897"	"726897"	"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(nc4sccn34)c5cc(OC)ccc5OC)\c2c1"	0	""	""	2	1	10812683	""
"726899"	"726899"	"(3E)-3-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"Clc1nc2sccn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	3	2	10542358	""
"726900"	"726900"	"(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	"O=C1Nc2ccccc2/C/1=C\c3c(nc4sccn34)c5ccccc5"	0	""	""	3	2	10450131	""
"726901"	"726901"	"(3E)-5-Methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3c(C)nc4sccn34)\c2c1"	0	""	""	2	2	10662822	""
"726902"	"726902"	"(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one"	"Cc1nc2sccn2c1\C=C/3\C(=O)Nc4ccccc34"	0	""	""	2	2	10755270	""
"726904"	"726904"	"(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one"	"Cn1c(Cl)c(\C=C/2\C(=O)Nc3ccccc23)c4ccccc14"	0	""	""	2	2	24203155	""
"726905"	"726905"	"1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one"	"CN1C(=O)\C(=C\c2c(Cl)[nH]c3ccccc23)\c4ccccc14"	0	""	""	1	1	24203156	""
"726906"	"726906"	"1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one"	"CN1C(=O)\C(=C\c2c(Cl)n(C)c3ccccc23)\c4ccccc14"	0	""	""	2	1	24203157	""
"726971"	"726971"	"6-[3-(1,1'-Dimethyl-2-hydroxyethyl)amino-1-propyl]-5,6-d..."	"COc1cc2C(=O)N(CCCNC(C)(C)CO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027832	""
"726972"	"726972"	"6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,6-dihydro-2,3-dime..."	"COc1cc2C(=O)N(CCCOC(=O)C(F)(F)F)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	11375566	""
"726973"	"726973"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	45027833	""
"726974"	"726974"	"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-5,11-dioxo-11H-ind..."	"O=C1N(CCCn2ccnc2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	1	1	11246320	""
"726975"	"726975"	"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-5,6-dioxo-11H-i..."	"CN(C)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	11256032	""
"727012"	"727012"	"(2S,3S)-3,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-..."	"COc1cc(C(=O)O[C@H](C(=O)N)[C@]2(C)CO2)c3cccc(C)c3c1"	0	""	""	2	2	9927456	""
"727013"	"727013"	"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate"	"COc1cc(C(=O)O[C@H](C(=O)N)[C@]2(C)CO2)c3ccccc3c1"	0	""	""	1	1	24203159	""
"727015"	"727015"	"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate"	"Cc1cccc2c(cccc12)C(=O)O[C@H](C(=O)N)[C@]3(C)CO3"	0	""	""	2	2	24203160	""
"727023"	"727023"	"2-[[2-propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-t..."	"Cc1ccc(cc1)N(CC#C)Cc2nc3cc(ccc3nc2c4ccccc4)C(F)(F)F"	0	""	""	2	1	24203165	""
"727038"	"727038"	"CDDO-Im"	"CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C4[C@@]3(C)CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)C(=O)n6ccnc6"	0	""	""	2	1	9958995	"443104027"
"727040"	"727040"	"6-(1,3-decadiyn-1-yl)-2(2H)-pyranone"	"CCCCCCC#CC#CC1=CC=CC(=O)O1"	0	""	""	3	2	11775948	""
"727048"	"727048"	"11-(3'-Methylaminopropylidene]-5,6-dihydro-5-keto-2,3-di..."	"CNCC\C=C/1\C2=C(N(C)C(=O)c3cc(OC)c(OC)cc23)c4cc5OCOc5cc14"	0	""	""	2	2	45027834	""
"727049"	"727049"	"11-(6'-Aminohexylidene]-5,6-dihydro-5-keto-2,3-dimethoxy..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027835	""
"727071"	"727071"	"Ofloxacin"	"CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O"	0	""	"FDA approved"	1	1	NA	"82419361"
"727081"	"727081"	"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)ccc1OCCN7CCCCC7"	0	""	""	2	2	24203175	""
"727082"	"727082"	"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCN6CCCCC6"	0	""	""	1	1	24203176	""
"727084"	"727084"	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-4-and..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)cc1OC"	0	""	""	1	1	24203178	""
"727086"	"727086"	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)cc1OC"	0	""	""	3	2	24203180	""
"727087"	"727087"	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-17-ox..."	"CCN(CC)CCOc1ccc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)cc1OC"	0	""	""	1	1	24203181	""
"727089"	"727089"	"16-[3-Methoxy-4-(2- pyrrolidin-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCN6CCCC6"	0	""	""	2	2	24203183	""
"727091"	"727091"	"2-[2 - furfuryl - 5)p-phenylene] benzothiazole"	"O=Cc1oc(cc1)c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	24203185	""
"727092"	"727092"	"2 [5(furfuryl- 2- yl.1,1 - dicyanoethylene)p - phenylene..."	"N#CC(=Cc1oc(cc1)c2ccc(cc2)c3nc4ccccc4s3)C#N"	0	""	""	1	1	24203186	""
"727100"	"727100"	"({5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furyl}methylene)ma..."	"N#CC(=Cc1oc(cc1)c2ccc(cc2)c3oc4ccccc4n3)C#N"	0	""	""	1	1	24203194	""
"727112"	"727112"	"Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate"	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C3(O)C=CC(=O)C4=C(O)c5ccccc5C(=O)C134"	0	""	""	1	1	24203200	""
"727113"	"727113"	"17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CC(=O)C1=C(C)N(Cc2ccccc2)C3(O)C=CC(=O)C4=C(O)c5ccccc5C(=O)C134"	0	""	""	1	1	24203201	""
"727152"	"727152"	"1,3,5-Cyclohexanetriamine, N,N',N\"-tris[(3-methyl-2-pyri..."	"Cc1cccnc1CNC2CC(CC(C2)NCc3ncccc3C)NCc4ncccc4C"	0	""	""	2	2	9911352	"453531583"
"727178"	"727178"	"2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3ccccc3N"	0	""	""	1	1	11266822	""
"727180"	"727180"	"2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	11311467	""
"727183"	"727183"	"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-"	"c1ccc(nc1)C#Cc2ccccc2C#Cc3ccccn3"	0	""	""	1	1	624485	""
"727185"	"727185"	"N-[3-[4-[(Z)-6-(2-Cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	"O=C(NCCCOc1ccc(cc1)C#C\C=C/C#Cc2ccccc2C#N)c3cc4ccccc4[nH]3"	0	""	""	1	1	24203205	""
"727189"	"727189"	"(2R)-4-[(12S)-12-Hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one"	"C[C@H]1OC(=O)C(=C1)CCCCCCCCCCC[C@H](O)[C@@H]2CCC(=O)O2"	0	""	""	1	1	24203209	""
"727192"	"727192"	"6,7-dihydro-3-spiro(1-methylpiperidin-4-yl)-5H-imidazo[2..."	"CN1CCC2(CC1)ON=C3NCCN23"	0	""	""	1	1	10987186	""
"727194"	"727194"	"3-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxadiazole"	"C1CN2C(ON=C2N1)c3ccccc3"	0	""	""	1	1	11106127	""
"727196"	"727196"	"3-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]..."	"COc1ccc(cc1)C2ON=C3NCCN23"	0	""	""	1	1	11790684	""
"727197"	"727197"	"3-(pyridin-3-yl)6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxad..."	"C1CN2C(ON=C2N1)c3cccnc3"	0	""	""	1	1	10856274	""
"727200"	"727200"	"2-cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline"	"Clc1ccc(cc1)c2nc3cc(Cl)c(Cl)cc3nc2C#N"	0	""	""	2	2	11709772	""
"727202"	"727202"	"2-cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline"	"Fc1cc2nc(C#N)c(nc2cc1F)c3ccc(Cl)cc3"	0	""	""	2	2	11616421	""
"727207"	"727207"	"3,4-bis-(4-methoxyphenyl)-2(5H)-furanone"	"COc1ccc(cc1)C2=C(C(=O)OC2)c3ccc(OC)cc3"	0	""	""	2	2	14904973	""
"727209"	"727209"	"3-(3,4,5-trimethoxy)-4-(2-naphtyl)-2(5H)-furanone"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)c3ccc4ccccc4c3"	0	""	""	3	2	10022395	""
"727212"	"727212"	"11-[2'-N-Aminopropyl)-aminoethylidene]-5,6-dihydro-5-oxo..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CNCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027836	""
"727219"	"727219"	"2,3,4-tri-O-acetyl-1-S-dimethylarsino-1-thio- a -D-xylose"	"C[As](C)SC1OCC(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	24203220	""
"727220"	"727220"	"2,3,5-tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose"	"C[As](C)SC1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	""	""	2	2	24203221	""
"727221"	"727221"	"-d-xylose"	"C[As](C)SC1OCC(O)C(O)C1O"	0	""	""	2	2	24203222	""
"727222"	"727222"	"1-S-dimethylarsino-1-thio-D-ribose"	"C[As](C)SC1OC(CO)C(O)C1O"	0	""	""	2	2	24203223	""
"727223"	"727223"	"1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline"	"C[C@@H](CS[As](C)C)C(=O)N1CCC[C@H]1C(=O)O"	0	""	""	2	2	24203224	""
"727224"	"727224"	"1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline"	"CC[As](CC)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O"	0	""	""	2	2	24203225	""
"727241"	"727241"	"9,10-bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene"	"C(CN1CCNCC1)NCc2c3ccccc3c(CNCCN4CCNCC4)c5ccccc25"	0	""	""	1	1	24203232	""
"727282"	"727282"	"2-Bromo-3-methoxy-9,10-dihydro-9,10-[1,2]benzenoanthrace..."	"COC1=C(Br)C(=O)C2=C(C3C4=C(C2c5ccccc35)C(=O)C=CC4=O)C1=O"	0	""	""	1	1	22629990	""
"727284"	"727284"	"2-Bromo-3-methoxy-6-(methylamino)-9,10-dihydrdo-9,10-[1,..."	"CNC1=CC(=O)C2=C(C3C4=C(C2c5ccccc35)C(=O)C(=C(OC)C4=O)Br)C1=O"	0	""	""	1	1	10389134	""
"727285"	"727285"	"6-(hydroxymethyl)-1,4-anthracenedione."	"OCc1ccc2cc3C(=O)C=CC(=O)c3cc2c1"	0	""	""	1	1	11402158	""
"727286"	"727286"	"6-(bromomethyl)-1,4-anthracenedione."	"BrCc1ccc2cc3C(=O)C=CC(=O)c3cc2c1"	0	""	""	2	2	9995010	""
"727287"	"727287"	"3-Methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole"	"COc1cc(cc(OC)c1OC)[C@@H]2C[C@H]2c3cc(SC)[nH]n3"	0	""	""	1	1	24203242	""
"727288"	"727288"	"5-[(1R,2R)-2-(4-Chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole"	"CSc1cc(on1)[C@@H]2C[C@H]2c3ccc(Cl)cc3"	0	""	""	1	1	24203243	""
"727298"	"727298"	"6-[(3-Thiomorpholyl)-1-propyl)-5,6-dihydro-2,3-dimethoxy..."	"COc1cc2C(=O)N(CCCN3CCSCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	1	1	16090534	""
"727339"	"727339"	"1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazin..."	"C1CN=C(N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C5=NCCN5"	0	""	""	2	1	24203245	""
"727347"	"727347"	"cyclopenta[a]naphthalen-3-one"	"O=C1C=Cc2c1ccc3ccccc23"	0	""	""	1	1	21218162	""
"727350"	"727350"	"benzoanthracenone"	"O=C1C=Cc2cc3ccccc3c4cccc1c24"	0	""	""	1	1	12300036	""
"727354"	"727354"	"6-[(4-FMOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-8,9-..."	"COc1cc2C(=O)N(CCCCNC(=O)OCC3c4ccccc4c5ccccc35)C6=C(C(=O)c7cc8OCOc8cc67)c2cc1OC"	0	""	""	1	1	45027837	""
"727355"	"727355"	"6-[(4-tert-BOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-..."	"COc1cc2C(=O)N(CCCCNC(=O)OC(C)(C)C)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027838	""
"727356"	"727356"	"6-(4-Amino-1-butyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl..."	"COc1cc2C(=O)N(CCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027839	""
"727357"	"727357"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCCNCCCNCCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	11520587	""
"727363"	"727363"	"3,4-Dichloroisocoumarin"	"ClC1=C(Cl)c2ccccc2C(=O)O1"	0	""	""	1	1	1609	"51050590"
"727365"	"727365"	"TPCK"	"Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl"	0	""	""	1	1	439647	"402711"
"727367"	"727367"	"Antipain hydrochloride"	"CC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(CCCNC(=N)N)C=O"	0	""	""	1	1	24203250	"37682727"
"727372"	"727372"	"(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-le..."	"CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(cc1)[N+](=O)[O-])C(=O)O"	0	""	""	1	1	24203255	"115795158"
"727450"	"727450"	"1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)cc1"	0	""	""	1	1	24203257	""
"727456"	"727456"	"(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1cccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)c1"	0	""	""	2	1	24203263	""
"727457"	"727457"	"2-(Benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine"	"CO\N=C(\C)/c1cccc(Nc2cc(nc3ccccc23)n4nnc5ccccc45)c1"	0	""	""	1	1	24203264	""
"727472"	"727472"	"1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"COc1ccc2nc(cc(Nc3ccc(cc3)C(=O)C)c2c1)c4ccccc4"	0	""	""	1	1	11523527	""
"727473"	"727473"	"(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2nc(cc(Nc3ccc(cc3)\C(=N\O)\C)c2c1)c4ccccc4"	0	""	""	2	1	11589053	""
"727474"	"727474"	"6-Methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine"	"CO\N=C(/C)\c1ccc(Nc2cc(nc3ccc(OC)cc23)c4ccccc4)cc1"	0	""	""	1	1	11610967	""
"727476"	"727476"	"1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3ccccc23)n4ccnc4)cc1"	0	""	""	1	1	24203274	""
"727483"	"727483"	"6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine"	"Cn1c2ccccc2c3c(Nc4ccccc4)c5ccccc5nc13"	0	""	""	1	1	24203281	""
"727484"	"727484"	"5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine"	"Cn1c2ccccc2c(Nc3ccccc3)c4c5ccccc5nc14"	0	""	""	1	1	135585429	""
"727485"	"727485"	"1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"COc1ccc2nc(cc(Nc3cccc(c3)C(=O)C)c2c1)c4ccccc4"	0	""	""	1	1	11675057	""
"727486"	"727486"	"(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2nc(cc(Nc3cccc(c3)\C(=N/O)\C)c2c1)c4ccccc4"	0	""	""	1	1	24203283	""
"727487"	"727487"	"6-Methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine"	"CO\N=C(\C)/c1cccc(Nc2cc(nc3ccc(OC)cc23)c4ccccc4)c1"	0	""	""	1	1	24203284	""
"727544"	"727544"	"6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccccc2"	0	""	""	1	1	24203326	""
"727571"	"727571"	"Ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate"	"CCOC(=O)\C(=C(\C)/NCc1ccccc1)\C2=CC(=O)C(=O)c3ccccc23"	0	""	""	2	2	24203338	""
"727572"	"727572"	"Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate"	"COC(=O)C1=C2C3=C(N(Cc4ccccc4)C2(OC(=O)C)C=CC1=O)C(=O)c5ccccc5C3=O"	0	""	""	1	1	24203339	""
"727573"	"727573"	"17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione"	"CN1C(=C(C(=O)C)C23C(=O)c4ccccc4C(=C2C(=O)C=CC13O)O)C"	0	""	""	1	1	24203340	""
"727620"	"727620"	"6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,6-dihydro-2,3-..."	"COc1cc2C(=O)N(CCCN(CCN)CCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6cc7OCOc7cc6C5=O)C8=C(C(=O)c9cc%10OCOc%10cc89)c2cc1OC"	0	""	""	2	2	45027842	""
"727621"	"727621"	"11-(4'-Aminobutylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027844	""
"727625"	"727625"	"cis-6-(3-Bromopropyl)-5,6,12,13-tetrahydro-2,3-dimethoxy..."	"[O-][N+](=O)c1ccc2[C@@H]3[C@H](N(CCCBr)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	10095710	""
"727629"	"727629"	"FN-439"	"C[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c2ccc(N)cc2)C(C)(C)C)C(=O)NO"	0	""	""	1	1	24203342	"124168736"
"727667"	"727667"	"4,4'-[1,3-phenylenebis(methyleneoxy)] bisbenzenecarboxim..."	"NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3)C(=N)N)c2)cc1"	0	""	""	1	1	24203365	"118499926"
"727668"	"727668"	"3,3'-[1,2-phenylenebis(methyleneoxy)] bisbenzonitrile"	"N#Cc1cccc(OCc2ccccc2COc3cccc(c3)C#N)c1"	0	""	""	1	1	24203366	""
"727670"	"727670"	"4,4'-[1,2-pohenylenebis(oxymethylene)]bisbenzenecarboxim..."	"NC(=N)c1ccc(COc2ccccc2OCc3ccc(cc3)C(=N)N)cc1"	0	""	""	1	1	24203367	"118499904"
"727676"	"727676"	"DL-Thiorphan"	"OC(=O)CNC(=O)C(CS)Cc1ccccc1"	0	""	""	1	1	3132	"76721896"
"727679"	"727679"	"MMP-9/MMP-13 Inhibitor ll CalBioChem Cat. No. 444253"	"COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCc3ccccc3"	0	""	""	1	1	4230	""
"727680"	"727680"	"MMP-9/MMP-13 Inhibitor l CalBioChem Cat. No. 444252"	"COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)c3ccc(cc3)c4ccccc4"	0	""	""	2	2	9983251	""
"727687"	"727687"	"Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate"	"CCOC(=O)CNC(=O)c1ccccc1Nc2ccnc(c2)C(F)(F)F"	0	""	""	2	1	24203371	""
"727718"	"727718"	"(+)-Leucascandrolide A"	"CO[C@H]1CC2CC(CC(CC(=O)O[C@H](C[C@@H]3CCC(C)C(C1)O3)\C=C\CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4"	0	""	""	1	1	24203379	""
"727719"	"727719"	"(-)-Leucascandrolide A"	"CO[C@@H]1CC2CC(CC(CC(=O)O[C@@H](C[C@H]3CCC(C)C(C1)O3)\C=C\CC(C)C)O2)OC(=O)\C=C/CCc4coc(\C=C/CNC(=O)OC)n4"	0	""	""	1	1	24203380	""
"727722"	"727722"	"11-[2',3'-Diaminopropylidene]-5,6-dihydro-2,3-dimethoxy-..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\C(N)CN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027846	""
"727726"	"727726"	"2-Fluoro-8-hydroxy-7-methoxy-1,2,3,11a- tetrahydropyrrol..."	"COc1cc2C(=O)N3C[C@H](F)C[C@H]3C=Nc2cc1O"	0	""	""	2	2	24203385	""
"727729"	"727729"	"1, 1'[Pentane-1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methox..."	"COc1cc2C(=O)N3CC(F)C[C@H]3C=Nc2cc1OCCCCCOc4cc5N=C[C@@H]6CC(F)CN6C(=O)c5cc4OC"	0	""	""	2	2	24203387	""
"727731"	"727731"	"1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)-2,5-dihy..."	"Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1"	0	""	""	1	1	731393	""
"727734"	"727734"	"3-chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino..."	"Cc1ccc(cc1Cl)N2C(=O)C(=C(Nc3cccc(O)c3)C2=O)Cl"	0	""	""	1	1	1339767	""
"727736"	"727736"	"3-chloro-1-(2,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3ccc(Cl)cc3Cl)c1"	0	""	""	1	1	1184375	""
"727737"	"727737"	"3-chloro-1-(2,3-dichlorophenyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3cccc(Cl)c3Cl)c1"	0	""	""	1	1	1339953	""
"727740"	"727740"	"3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3ccccc3Cl)c1"	0	""	""	1	1	729920	""
"727756"	"727756"	"1-benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-dihyd..."	"Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1Cl"	0	""	""	1	1	1570148	""
"727759"	"727759"	"1-benzyl-3-chloro-4-(3-chloroanilino)-2,5-dihydro-1H-2,5..."	"ClC1=C(Nc2cccc(Cl)c2)C(=O)N(Cc3ccccc3)C1=O"	0	""	""	1	1	1554887	""
"727760"	"727760"	"1-benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-dihy..."	"Oc1ccc(Cl)cc1NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O"	0	""	""	2	1	1567787	""
"727764"	"727764"	"1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-dihyd..."	"Oc1cccc(NC2=C(Sc3ccccc3)C(=O)N(Cc4ccccc4)C2=O)c1"	0	""	""	1	1	1593709	""
"727798"	"727798"	"4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol"	"Oc1ccc(Nc2c3ccccc3nc4occ(Cl)c24)cc1"	0	""	""	1	1	24203390	""
"727801"	"727801"	"1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone"	"CC(=O)c1cc2OCOc2cc1Nc3c4ccccc4nc5occ(Cl)c35"	0	""	""	2	2	11675324	""
"727805"	"727805"	"N-(1,3-Benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine"	"C1Oc2ccc(Nc3c4ccoc4nc5ccccc35)cc2O1"	0	""	""	1	1	11659481	""
"727826"	"727826"	"2-[5-amino-1-(3-chlorophenyl)-3-oxo-2,3-dihydro-1H-4-pyr..."	"NC1=C(C(=O)CN1c2cccc(Cl)c2)C3=Nc4ccccc4C(=O)N3"	0	""	""	2	2	135456438	""
"727839"	"727839"	"N4-cyclohexyl-N4,6-dimethyl-4-quinazolinamine cyclohexyl..."	"CN(C1CCCCC1)c2ncnc3ccc(C)cc23"	0	""	""	1	1	720997	""
"727846"	"727846"	"N4,N4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6..."	"CC(C)CN(CC(C)C)c1ncnc2ccc(C)cc12"	0	""	""	1	1	18558695	""
"727848"	"727848"	"4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-6-quinaz..."	"CC1(C)CC2CC(C)(CN2c3ncnc4ccc(Br)cc34)C1"	0	""	""	1	1	3252078	""
"727858"	"727858"	"(-)-Gossypol/ 0.3 HOAc"	"CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O"	0	NA	NA	2	2	NA	""
"727885"	"727885"	"1-benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd..."	"Cc1c(Cl)cccc1NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O"	0	""	""	1	1	1570150	""
"727895"	"727895"	"N4-isobutyl-2-phenyl-4-quinazolinamine isobutyl(2-phenyl..."	"CC(C)CNc1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	719700	""
"727897"	"727897"	"N4-(2-furylmethyl)-2-(2,4-dichlorophenyl)-4-quinazolinam..."	"Clc1ccc(c(Cl)c1)c2nc(NCc3occc3)c4ccccc4n2"	0	""	""	1	1	1186904	""
"727899"	"727899"	"N4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-met..."	"CCCNc1nc(nc2ccccc12)c3ccc(OC)cc3"	0	""	""	1	1	2791338	""
"727901"	"727901"	"2-(2-phenyl-4-quinazolinylamino)ethyl pivalate"	"CC(C)(C)C(=O)OCCNc1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	1643479	""
"727908"	"727908"	"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OC(C)C(OC(=O)C)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	24203399	""
"727909"	"727909"	"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OCC(OC(=O)C)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	24203400	""
"727920"	"727920"	"(4R,6S,9E)-6,10-Dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one"	"CC(=C)C1CC\C(=C\CC[C@]2(C)O[C@@H]2CCC3=CC1OC3=O)\C"	0	""	""	1	1	24203410	""
"727926"	"727926"	"Dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cc(OC)ccc3OC)C(=O)OC"	0	""	""	2	2	24203414	""
"727927"	"727927"	"Dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cccc(OC)c3)C(=O)OC"	0	""	""	2	2	24203415	""
"727928"	"727928"	"Dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3ccccc3OC)C(=O)OC"	0	""	""	2	2	24203416	""
"727929"	"727929"	"Dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate"	"COC(=O)C1=CN(CC2=CC(=O)C(=CC2=O)C)C=C(C1c3cccc(OC)c3OC)C(=O)OC"	0	""	""	2	2	24203417	""
"727930"	"727930"	"Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate"	"COC(=O)C1=CNC=C(C1C2=CC(=O)C(=CC2=O)C)C(=O)OC"	0	""	""	2	2	24203418	""
"727947"	"727947"	"2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-ma..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	1	1	18530973	""
"727948"	"727948"	"2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen..."	"Fc1ccc(S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2)c(Cl)c1"	0	""	""	2	2	18526618	""
"727950"	"727950"	"5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyan..."	"CCOC(=O)\C(=C/C=C(/Sc1nc2ccccc2s1)\c3ccc(Cl)cc3)\C#N"	0	""	""	1	1	24203419	""
"727951"	"727951"	"2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulf..."	"CCOc1ccc2nc(S\C(=C\C=C(C#N)C#N)\c3ccc(Cl)cc3)sc2c1"	0	""	""	1	1	6522377	""
"727955"	"727955"	"[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile"	"Clc1ccc(cc1)C(=O)\C=C/NCC#N"	0	""	""	1	1	24203420	""
"727958"	"727958"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"COc1ccc(OC)c(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	2	1	1194860	""
"727959"	"727959"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574650	""
"727962"	"727962"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"Oc1ccccc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	2	2	7897244	""
"727966"	"727966"	"N4,N4-di(2-methoxyethyl)-2-phenyl-4-quinazolinamine di(2..."	"COCCN(CCOC)c1nc(nc2ccccc12)c3ccccc3"	0	""	""	1	1	1564647	""
"727967"	"727967"	"N4,N4-diethyl-2-(2,4-dichlorophenyl)-4-quinazolinamine 2..."	"CCN(CC)c1nc(nc2ccccc12)c3ccc(Cl)cc3Cl"	0	""	""	2	2	18593627	""
"727969"	"727969"	"3-chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-dihydro-..."	"Cc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	1	1	1574961	""
"727972"	"727972"	"3-chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)..."	"FC(F)(F)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	2	2	1574997	""
"727973"	"727973"	"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-dih..."	"Oc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1"	0	""	""	1	1	1575025	""
"727974"	"727974"	"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino..."	"Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1O"	0	""	""	1	1	1575028	""
"727982"	"727982"	"NSC 701656 incorporated in micelles, 0.73% (w/w) of drug."	""	0	NA	NA	1	1	NA	""
"727983"	"727983"	"NSC 701657 incorporated in micelles, 0.25% (w/w) of drug"	""	0	NA	NA	4	2	NA	""
"727985"	"727985"	"NSC 708781 incorporated in micelles, 0.55% (w/w) of drug"	""	0	NA	NA	1	1	NA	""
"727986"	"727986"	"NSC 708782 incorporated in micelles, 0.45% (w/w) of drug"	""	0	NA	NA	1	1	NA	""
"727987"	"727987"	"NSC 708783 incorporated in micelles, 0.20% (w/w) of drug"	""	0	NA	NA	1	1	NA	""
"727988"	"727988"	"NSC 708788 incorporated in micelles, 0.20% (w/w) of drug"	""	0	NA	NA	1	1	NA	""
"727989"	"727989"	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:STK,YK,MET,EGFR,ERBB2,KIT,RAF,VEGFR"	"FDA approved"	2	2	11679357	"388082777"
"728028"	"728028"	"1 - Ethyl -6 - (Ethylthio) - 1H - pyrazolo[3,4-d]pyrimid..."	"CCSc1nc(N)c2cnn(CC)c2n1"	0	""	""	1	1	24203438	""
"728029"	"728029"	"1,3 - Benzthiazo - 2(3H)- ylidene Malononitrile"	"N#CC(=C1Nc2ccccc2S1)C#N"	0	""	""	1	1	641563	""
"728030"	"728030"	"6'- Amino-2'-oxo-2',3'-dihydro-1'H,3H-spiro[1,3-benzothi..."	"NC1=C(C#N)C2(NC(=O)N1)Nc3ccccc3S2"	0	""	""	2	1	24203439	""
"728032"	"728032"	"6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzim..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3N2"	0	""	""	1	1	24203441	""
"728035"	"728035"	"1N-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-be..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCNC(=O)\C=C\4/C[C@H]5C=Nc6cc(OCc7ccccc7)c(OC)cc6C(=O)N5C4"	0	""	""	1	1	10032352	""
"728036"	"728036"	"2-[(3,4-dicloro)phenoxy]-3-phenyl-5,7-Diamino quinoxaline"	"Nc1cc(N)c2nc(c(Oc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	24203443	""
"728037"	"728037"	"2-[(3,4-dicloro)anilino]-3-phenyl-5,7-diamino quinoxaline"	"Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	24203444	""
"728038"	"728038"	"2[(3,4-dicloro)benzylamino]-3-phenyl-5,7-diamino quinoxa..."	"Nc1cc(N)c2nc(c(NCc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	24203445	""
"728039"	"728039"	"2-[4-(methoxy)anilino]-6,8-diamino quinoxaline"	"COc1ccc(Nc2cnc3cc(N)cc(N)c3n2)cc1"	0	""	""	1	1	24203446	""
"728040"	"728040"	"2-[4-(methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline"	"COc1ccc(Sc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc1"	0	""	""	1	1	24203447	""
"728063"	"728063"	"2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine"	"c1ccc(C#Cc2cnccn2)c(c1)C#Cc3cnccn3"	0	""	""	2	1	11471574	""
"728071"	"728071"	"3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol"	"OCC#Cc1ccccc1C#Cc2ccc(cc2)C#Cc3ccccc3C#CCO"	0	""	""	1	1	24203456	""
"728073"	"728073"	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	2	2	60838	"97682445"
"728074"	"728074"	"2-carboxy-(2'-furyl)-6,7-dichloro-3-trifluoromethylquino..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(Cl)c(Cl)cc13)C(F)(F)F"	0	""	""	2	2	23635643	""
"728075"	"728075"	"2-carboxyphenyl-6,7-difluoro-3-methylquinoxaline 1,4-dio..."	"Cc1c(C(=O)c2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	24203458	""
"728076"	"728076"	"2-carboxy-(2'-furyl)-6,7-difluoro-3-trifluoromethylquino..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	4	2	23635642	""
"728077"	"728077"	"2-cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxa..."	"COC(=O)c1ccc(cc1)c2nc3cc(F)c(F)cc3nc2C#N"	0	""	""	2	2	24203459	""
"728078"	"728078"	"2-carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxali..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(Cl)cc13)C(F)(F)F"	0	""	""	3	2	23635647	""
"728079"	"728079"	"2-carboxy-tert-butyl-6,7-dimethyl-3-trifluoromethylquino..."	"Cc1cc2c(cc1C)[n+]([O-])c(c(C(=O)C(C)(C)C)[n+]2[O-])C(F)(F)F"	0	""	""	1	1	24203460	""
"728083"	"728083"	"2-carboxy-(2'-theonyl)-6,7-dichloro-3-trifluoromethylqui..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(Cl)c(Cl)cc13)C(F)(F)F"	0	""	""	2	2	23635522	""
"728084"	"728084"	"7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxa..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(Cl)cc13)C(F)(F)F"	0	""	""	3	2	23635526	""
"728085"	"728085"	"6,7-Difluoro-2-(thien-2-yl)carbonyl-3-trifluoromethyl qu..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(F)c(F)cc13)C(F)(F)F"	0	""	""	3	2	23635415	""
"728086"	"728086"	"2-carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-di..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccccc13)C(F)(F)F"	0	""	""	2	2	23635641	""
"728087"	"728087"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	45027847	""
"728088"	"728088"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)CCN(CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O)C(=O)OC(C)(C)C"	0	""	""	1	1	11849595	""
"728089"	"728089"	"6-[3-(Aminobutylamino)-1-propyl]-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCNCCCCN)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027848	""
"728090"	"728090"	"6-[3-(4-Aminopiperidine)-1-propyl]-5,6-dihydro-2,3-dimet..."	"COc1cc2C(=O)N(CCCN3CCC(N)CC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	45027850	""
"728091"	"728091"	"6-[(3-Hydroxy)-1-propyl]-5,6-dihydro-2,3-dimethoxy-8,9-m..."	"COc1cc2C(=O)N(CCCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027851	""
"728092"	"728092"	"6-[(3-Diethoxybutylamino)-1-propyl]-5,6-dihdro-2,3-dimet..."	"CCOC(CCCNCCCN1C(=O)c2cc(OC)c(OC)cc2C3=C1c4cc5OCOc5cc4C3=O)OCC"	0	""	""	1	1	45027852	""
"728115"	"728115"	"N4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-q..."	"Clc1ccc(Nc2ncnc3ccccc23)cc1"	0	""	""	1	1	2789325	""
"728125"	"728125"	"3-(4-quinazolinylamino)phenyl 2-chlorobenzoate"	"Clc1ccccc1C(=O)Oc2cccc(Nc3ncnc4ccccc34)c2"	0	""	""	1	1	1187613	""
"728128"	"728128"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cccc(Cl)c3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574647	""
"728129"	"728129"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"COc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	1194948	""
"728130"	"728130"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	2	2	1194953	""
"728132"	"728132"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574702	""
"728133"	"728133"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574706	""
"728134"	"728134"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"COc1ccc(Cl)cc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	1194969	""
"728135"	"728135"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	1194988	""
"728137"	"728137"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1ccccc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	2	2	1676286	""
"728143"	"728143"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"Oc1ccc(Cl)cc1NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2"	0	""	""	1	1	1676297	""
"728165"	"728165"	"Lificguat"	"OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24"	0	"HYP|HIF1|EPAS1"	"Clinical trial"	2	2	5712	"170632470"
"728188"	"728188"	"7-Chloro -4- ( 4,6-dimethyl thio- pyrazolo [3,4-d] pyrim..."	"CSc1nc(SC)c2cnn(c3ccnc4cc(Cl)ccc34)c2n1"	0	""	""	2	2	24203467	""
"728195"	"728195"	"1-(2-chloro,6-fluorobenzyl)-2-(2-chloro,6-fluorophenyl)-..."	"Cc1cc2nc(c3c(F)cccc3Cl)n(Cc4c(F)cccc4Cl)c2cc1C"	0	""	""	1	1	24203473	""
"728196"	"728196"	"1-(2,3-dihidroxybenzyl)-2-(2,3-dihydroxyphenyl)-benzimid..."	"Oc1cccc(Cn2c(nc3ccccc23)c4cccc(O)c4O)c1O"	0	""	""	1	1	135585440	""
"728197"	"728197"	"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-5,6-dime..."	"Cc1cc2nc(c3ccc(O)c(O)c3)n(Cc4ccc(O)c(O)c4)c2cc1C"	0	""	""	1	1	135585441	""
"728218"	"728218"	"2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-ally..."	"CCOc1ccc2nc(S\C(=C\C=C(C#N)C#N)\c3ccc(C)cc3)sc2c1"	0	""	""	1	1	6529944	""
"728220"	"728220"	"1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone"	"Brc1cccc(c1)C(=O)\C=C/Sc2ccccn2"	0	""	""	1	1	24203485	""
"728221"	"728221"	"5,5-Dimethyl-3-[2-(2,3,5,6-tetrachloro-pyridin-4-ylsulfa..."	"CC1(C)CC(=O)C=C(C1)\C=C\Sc2c(Cl)c(Cl)nc(Cl)c2Cl"	0	""	""	1	1	24203486	""
"728271"	"728271"	"N-[3-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(OCCCNC(=O)c3cc4ccccc4[nH]3)cc2"	0	""	""	1	1	24203495	""
"728316"	"728316"	"6-(3-Piperazinyl-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9..."	"COc1cc2C(=O)N(CCCN3CCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	16049841	""
"728317"	"728317"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1C2C(N(CCCNCCCCNCCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C(=O)c7ccccc27)c8ccccc18"	0	""	""	2	2	45027853	""
"728318"	"728318"	"6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,6-dihydro-2,3-di..."	"COc1cc2C(=O)N(CCCN3CCCC(O)C3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	16090535	""
"728319"	"728319"	"6-(3-Homopiperazinyl1-1-propyl)-5,6-dihydro-2,3-dimethox..."	"COc1cc2C(=O)N(CCCN3CCCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	""	""	2	2	45027855	""
"728320"	"728320"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"CN(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	2	2	11849561	""
"728321"	"728321"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCN(CCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)C(=O)OC(C)(C)C)CCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	1	1	11849594	""
"728322"	"728322"	"16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C2OC(=O)C)N6CCCC6)ccc1OCCN7CCCC7"	0	""	""	1	1	24203498	""
"728323"	"728323"	"16-[3-Methoxy-4-(2-pyrrolidine-1-yl ethoxy)benzylidene]-..."	"COc1cc(\C=C\2/CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCN6CCCC6"	0	""	""	2	2	24203499	""
"728324"	"728324"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4..."	"COc1cc(\C=C\2/CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCCn6ccnc6"	0	""	""	1	1	16051320	""
"728325"	"728325"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-1..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]3(C)C2=O)ccc1OCCCn6ccnc6"	0	""	""	1	1	24203500	""
"728336"	"728336"	"3-Chlor-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine"	"Oc1ccc2oc3ncc(Cl)c(c4ccccc4)c3c2c1"	0	""	""	1	1	6538870	""
"728413"	"728413"	"4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-be..."	"COc1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2)C(=O)\C=C\c3ccc(O)cc3"	0	""	""	1	1	24203513	""
"728415"	"728415"	"4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol..."	"COc1cc(ccc1F)S(=O)(=O)Nc2ccc(cc2)C3=NNC(C3)c4ccccc4"	0	""	""	1	1	24203515	""
"728450"	"728450"	"1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene"	"O=S(=O)(CC#CCCCOCC#Cc1ccccc1C#CCS(=O)(=O)c2ccccc2)c3ccccc3"	0	""	""	1	1	24203526	""
"728456"	"728456"	"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2cnccn2"	0	""	""	1	1	24203529	""
"728457"	"728457"	"2-acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide"	"CC(=O)c1c([n+]([O-])c2ccc(Cl)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	24203530	""
"728458"	"728458"	"2-acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide"	"CC(=O)c1c([n+]([O-])c2ccc(C)cc2[n+]1[O-])C(F)(F)F"	0	""	""	2	2	24203531	""
"728459"	"728459"	"FLUORO QUINOLONE DERIVATIVES"	"OC(=O)C1=CNc2cc(N3CCN(C\C(=N/NC(=O)c4ccncc4)\c5ccc(Cl)cc5)CC3)c(F)cc2C1=O"	0	""	""	1	1	24203532	""
"728502"	"728502"	"2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,6-diphenyl-..."	"Cc1cc(c(SCC(=O)N)cc1Cl)S(=O)(=O)Nc2nnc(c3ccccc3)c(n2)c4ccccc4"	0	""	""	1	1	11785806	""
"728503"	"728503"	"2-Benzylthio-5-carbamoyl-4-chloro-N-(5,6-diphenyl-1,2,4-..."	"NC(=O)c1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)Nc3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	2	1	11490199	""
"728506"	"728506"	"2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,6..."	"Clc1ccc(NC(=O)c2cc(c(SCc3ccccc3)cc2Cl)S(=O)(=O)Nc4nnc(c5ccccc5)c(n4)c6ccccc6)cc1"	0	""	""	2	1	11262540	""
"728507"	"728507"	"2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzen..."	"CNN\C(=N/S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1SCc3ccccc3)\N=C\c4ccc(s4)[N+](=O)[O-]"	0	""	""	2	2	11763828	""
"728509"	"728509"	"1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony..."	"CC(=O)\C(=N\NC(=N)NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1SCc3ccccc3)\C"	0	""	""	1	1	11226727	""
"728512"	"728512"	"1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methyl..."	"CSc1cc(Cl)c(cc1S(=O)(=O)\N=C(\NCC=C)/N\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)Nc3ccc(Cl)cc3"	0	""	""	2	2	17756726	""
"728518"	"728518"	"2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfony..."	"Cc1cc(c(SCC(=O)N)cc1Cl)S(=O)(=O)\N=C(\NCC#C)/N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	23583910	""
"728553"	"728553"	"4-Phenylethynyl-3-(3,4,5-trimethoxy-phenyl)-5H-furan-2-one"	"COc1cc(cc(OC)c1OC)C2=C(COC2=O)C#Cc3ccccc3"	0	""	""	2	2	11484899	""
"728554"	"728554"	"3-Chloro-4-phenylethynyl-5H-furan-2-one"	"ClC1=C(COC1=O)C#Cc2ccccc2"	0	""	""	1	1	11435928	""
"728574"	"728574"	"5[(4-hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyaz..."	"CCCN1\C(=N\c2ccccc2)\S\C(=C/c3ccc(O)cc3)\C1=O"	0	""	""	1	1	24203565	""
"728594"	"728594"	"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2cccs2"	0	""	""	2	2	11402431	""
"728598"	"728598"	"2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3cnccn3"	0	""	""	1	1	24203580	""
"728599"	"728599"	"2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline"	"Nc1ccccc1C#Cc2ccccc2C#Cc3cccs3"	0	""	""	1	1	24203581	""
"728666"	"728666"	"2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline"	"CSc1ccccc1C#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	24203586	""
"728667"	"728667"	"2-[(Z)-6-Phenylhex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2"	0	""	""	1	1	24203587	""
"728854"	"728854"	"5,6-Dihydro-6-(3-guanidinyl-1-propyl)-5,11-dioxo-11H-ind..."	"NC(=N)NCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	11167068	""
"728855"	"728855"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCCN2CCN(CCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)CC2)C7=C(C(=O)c8ccccc78)c9ccccc19"	0	""	""	2	2	45027856	""
"728856"	"728856"	"5,6-Dihydro-6-[3-(3-imidazolylpropyl)amino-1-propyl]-5,1..."	"O=C1N(CCCNCCCn2ccnc2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	2	2	45027857	""
"728857"	"728857"	"6-(4-Trichloroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho..."	"COc1cc2C(=O)N(CCCCOC(=O)C(Cl)(Cl)Cl)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027858	""
"728901"	"728901"	"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	16099315	""
"728905"	"728905"	"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cc(c(C)s1)c2nc3sc(C)cn3c2\C=N\NC(=N)N"	0	""	""	1	1	24203627	""
"728907"	"728907"	"2-[(E)-(6-Thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3ccsc3"	0	""	""	1	1	24203631	""
"728910"	"728910"	"2-[(E)-(2-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccncc3"	0	""	""	1	1	24203636	""
"728979"	"728979"	"6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-3-nitro..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	10070686	""
"729025"	"729025"	"1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-ni..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)n2cnc(c2N)[N+](=O)[O-])OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	24203651	""
"729027"	"729027"	"2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole"	"O=Cc1ccc(s1)c2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	24203652	""
"729029"	"729029"	"2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole"	"O=Cc1ccc(s1)c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	24203654	""
"729031"	"729031"	"6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzothiazol..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3S2"	0	""	""	1	1	24203655	""
"729033"	"729033"	"6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzoxazole-..."	"NC1=C(C#N)C2(NC(=S)N1)Nc3ccccc3O2"	0	""	""	1	1	24203657	""
"729037"	"729037"	"6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzimidazol..."	"NC1=C(C#N)C2(Nc3ccccc3N2)N=C(N1)N4CCOCC4"	0	""	""	1	1	24203661	""
"729052"	"729052"	"1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-chlorophenyl)-..."	"Oc1cc2ccccc2cc1C3=NNC(=S)N3c4ccc(Cl)cc4"	0	""	""	1	1	135520287	""
"729056"	"729056"	"1,4-Dihydro-3-(3-benzoyloxy-2-naphthyl)-4-ethyl-5H-1,2,4..."	"CCN1C(=S)NN=C1c2cc3ccccc3cc2OC(=O)c4ccccc4"	0	""	""	1	1	10981661	""
"729108"	"729108"	"N,N-(6',12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,..."	"C(CCN1CCCCC1)CNc2cc3c4ccccc4c(NCCCCN5CCCCC5)cc3c6ccccc26"	0	""	""	1	1	11250083	""
"729109"	"729109"	"trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone"	"CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)c2cc3c4ccccc4ccc3c5ccccc25)c6ccccc6"	0	""	""	2	2	24203669	""
"729113"	"729113"	"2-(4-amino-6-phenylpiperazin-1-yl-1,3,5-triazin-2-yl)-2-..."	"CN(C)c1ccc(cc1)\N=C(\C#N)/c2nc(N)nc(n2)N3CCN(CC3)c4ccccc4"	0	""	""	2	1	11676277	""
"729115"	"729115"	"2-[4-amino-6-(5-ethyl-4-methyl-4,5-dihydro-1H-pyrazol-1-..."	"CCC1C(C)C=NN1c2nc(N)nc(n2)\C(=N/c3ccc(cc3)N(C)C)\C#N"	0	""	""	1	1	11610533	""
"729131"	"729131"	"AC1LLQ0L"	"[O-][N+](=O)c1ccc2N(C3=NC(=O)NC(=O)C3=Cc2c1)c4cccc(Cl)c4"	0	""	""	1	1	1114144	"317326902"
"729132"	"729132"	"HLI-98D"	"[O-][N+](=O)c1ccc2N(C3=NC(=O)NC(=O)C3=Cc2c1)c4ccc(Cl)cc4"	0	""	""	1	1	1114145	"317326913"
"729133"	"729133"	"STK558857"	"Cc1ccc(cc1)N2C3=NC(=O)NC(=O)C3=Cc4cc(ccc24)[N+](=O)[O-]"	0	""	""	1	1	931309	"310421568"
"729141"	"729141"	"3-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one"	"O\N=C(\COC1=C(Oc2ccccc2C1=O)c3ccccc3)/c4ccccc4"	0	""	""	1	1	24203676	""
"729143"	"729143"	"3-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one"	"COc1ccc(cc1)\C(=N/O)\COC2=C(Oc3ccccc3C2=O)c4ccccc4"	0	""	""	1	1	24203678	""
"729144"	"729144"	"6-[(2E)-2-Hydroxyiminopropoxy]-2-phenylchromen-4-one"	"C\C(=N/O)\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3"	0	""	""	1	1	24203679	""
"729145"	"729145"	"6-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one"	"O\N=C(\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3)/c4ccccc4"	0	""	""	1	1	11653610	""
"729146"	"729146"	"6-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one"	"O\N=C(\COc1ccc2OC(=CC(=O)c2c1)c3ccccc3)/c4ccc(F)cc4"	0	""	""	1	1	24203680	""
"729156"	"729156"	"6-[(Z)-Hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"N\N=C/C1=C2Oc3ccccc3N2C(=O)c4ccccc14"	0	""	""	1	1	24203689	""
"729157"	"729157"	"6-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"O=C1N2C(=C(\C=N/NC3=NCCN3)c4ccccc14)Oc5ccccc25"	0	""	""	1	1	24203690	""
"729164"	"729164"	"N,N'-dicycloheptyl 4,4'-(1,4-piperazinediyl)bisbenzeneca..."	"N=C(NC1CCCCCC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NC5CCCCCC5"	0	""	""	1	1	24203696	""
"729165"	"729165"	"N,N'-dioctyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim..."	"CCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCC"	0	""	""	1	1	24203697	""
"729166"	"729166"	"N,N'-didecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim..."	"CCCCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCCCC"	0	""	""	1	1	24203698	""
"729168"	"729168"	"N,N'-diheptyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxi..."	"CCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCC"	0	""	""	3	2	24203700	""
"729169"	"729169"	"N,N'-dicyclooctyl 4,4'-(1,4-piperazinediyl)bisbenzenecar..."	"N=C(NC1CCCCCCC1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)C(=N)NC5CCCCCCC5"	0	""	""	1	1	24203701	""
"729170"	"729170"	"N,N'-diisoamyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox..."	"CC(C)CCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCC(C)C"	0	""	""	1	1	24203702	""
"729171"	"729171"	"N,N'-didodecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox..."	"CCCCCCCCCCCCNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCCCCCCCCCCCC"	0	""	""	1	1	24203703	""
"729172"	"729172"	"N,N'-di(2-methylbutyl) 4,4'-(1,4-piperazinediyl)bisbenze..."	"CCC(C)CNC(=N)c1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=N)NCC(C)CC"	0	""	""	1	1	24203704	""
"729176"	"729176"	"6,7-dimethyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylqui..."	"Cc1cc2c(cc1C)[n+]([O-])c(c(C(=O)c3cccs3)[n+]2[O-])C(F)(F)F"	0	""	""	2	2	23635414	""
"729178"	"729178"	"7-methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinox..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)c3cccs3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	23635524	""
"729179"	"729179"	"1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one"	"CCC(=O)c1c([n+]([O-])c2ccc(C)cc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	24203707	""
"729181"	"729181"	"N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-m..."	"Cc1ccc(cc1)S(=O)(=O)\N=C\2/SSC(=C2Cl)Nc3ccccc3"	0	""	""	1	1	24203709	""
"729183"	"729183"	"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione"	"ClC1=C(Sc2ccccn2)SSC1=S"	0	""	""	1	1	16766538	""
"729184"	"729184"	"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione"	"ClC1=C(Oc2ccccc2)SSC1=S"	0	""	""	1	1	16766044	""
"729186"	"729186"	"Ethyl (3Z)-4,5-dichloro-3H-1,2-dithiol-3-ylidenecarbamate"	"CCOC(=O)\N=C\1/SSC(=C1Cl)Cl"	0	""	""	1	1	24203710	""
"729189"	"729189"	"Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxo..."	"COC(=O)C1=C(SC(=C(Cl)C(=S)Nc2ccccc2O)S1)C(=O)OC"	0	""	""	1	1	16766542	""
"729190"	"729190"	"Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoeth..."	"COC(=O)C1=C(SC(=C(Cl)C(=S)Sc2ccccc2N)S1)C(=O)OC"	0	""	""	1	1	24203712	""
"729192"	"729192"	"5,6,7-Trihydroxyflavone"	"Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3"	0	NA	NA	1	1	NA	"491678"
"729193"	"729193"	"5,7,8-Trimethoxy-2-(2-phenylmethoxyphenyl)chromen-4-one"	"COc1cc(OC)c2C(=O)C=C(Oc2c1OC)c3ccccc3OCc4ccccc4"	0	""	""	1	1	24203714	""
"729194"	"729194"	"(2Z)-2-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one"	"Cc1c2CCc3ccccc3c2nn1c4ccc(S\N=C\5/SCC(=O)CN5c6ccccc6)cc4"	0	""	""	1	1	24203715	""
"729195"	"729195"	"(2Z)-3-Benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one"	"Cc1c2CCc3ccccc3c2nn1c4ccc(S\N=C\5/SCC(=O)CN5Cc6ccccc6)cc4"	0	""	""	1	1	24203716	""
"729200"	"729200"	"1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea"	"Cc1c2CCc3ccccc3c2nn1c4ccc(cc4)S(=O)(=O)NC(=S)Nc5ccccc5"	0	""	""	1	1	24203721	""
"729202"	"729202"	"N-[[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	"Cc1c2CCc3ccccc3c2nn1c4ccc(cc4)S(=O)(=O)NC(=S)NC(=O)c5ccccc5"	0	""	""	1	1	24203723	""
"729211"	"729211"	"cis-3-O-p-hydroxycinnamoyl ursolic acid"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O"	0	""	""	1	1	24203732	"331243426"
"729297"	"729297"	"Pyridone-4-CH3"	"Cc1ccc(cc1)C2=C(C#N)C(=O)NC3=C2COc4ccc(F)cc34"	0	""	""	1	1	11530049	""
"729305"	"729305"	"Dibenzopyran"	"Nc1c(C#N)c(c2COc3ccc(F)cc3c2c1C#N)c4ccc(Cl)cc4"	0	""	""	1	1	24203752	""
"729352"	"729352"	"2,3-Dimethoxy-5,6-dihydro-5,11-diketo-6-(9H-fluoren-9-yl..."	"COc1cc2C(=O)N(CCCNC(=O)OCC3c4ccccc4c5ccccc35)C6=C(C(=O)c7cc8OCOc8cc67)c2cc1OC"	0	""	""	2	2	11215802	""
"729358"	"729358"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"CC(C)(C)OC(=O)N(CCCCN(CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O)C(=O)OC(C)(C)C)CCCN5C(=O)c6ccccc6C7=C5c8ccccc8C7=O"	0	""	""	1	1	11849640	""
"729466"	"729466"	"2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline"	"Nc1ccccc1C#CC#Cc2ccccc2N"	0	""	""	1	1	2749742	""
"729470"	"729470"	"(13S,17S)-17-[2-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc5ccc(cc5)C#C\C=C/C#Cc6ccccc6N"	0	""	""	1	1	24203773	""
"729475"	"729475"	"8,9-Dimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoqui..."	"COc1cc2Cc3c(ncc4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	11164186	""
"729476"	"729476"	"4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	24203775	""
"729500"	"729500"	"ISOINDOLO[2,1-C]BENZO[1,2,4]TRIAZINE"	"FC(F)(F)c1ccc2nnc3c4ccccc4c(C#N)n3c2c1"	0	""	""	1	1	16066791	""
"729517"	"729517"	"2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile"	"O=C(N1CCN(C=C(C#N)C#N)C1=S)c2ccccc2"	0	""	""	1	1	24203785	""
"729518"	"729518"	"Methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate"	"COC(=O)\C(=C/N1CCN(C(=O)c2occc2)C1=S)\C#N"	0	""	""	1	1	24203786	""
"729519"	"729519"	"3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione"	"CC(=O)C(=CN1CCN(C(=O)c2occc2)C1=S)C(=O)C"	0	""	""	1	1	24203787	""
"729520"	"729520"	"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile"	"O=C(N1CCN(C=C(C#N)C#N)C1=S)c2occc2"	0	""	""	1	1	24203788	""
"729521"	"729521"	"(Z)-2-Benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile"	"O=C(N1CCN(\C=C(\C#N)/C(=O)c2ccccc2)C1=S)c3occc3"	0	""	""	1	1	24203789	""
"729522"	"729522"	"Ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate"	"CCOC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)c3ccccc3"	0	""	""	1	1	24203790	""
"729523"	"729523"	"(2Z)-2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione"	"CC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)c3ccccc3"	0	""	""	1	1	24203791	""
"729524"	"729524"	"(Z)-N-(4-Chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide"	"Clc1ccc(NC(=O)\C(=C/N2CCN(C(=O)c3occc3)C2=S)\C#N)cc1"	0	""	""	1	1	24203792	""
"729525"	"729525"	"(Z)-2-Cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide"	"NC(=O)\C(=C/N1CCN(C(=O)c2occc2)C1=S)\C#N"	0	""	""	1	1	24203793	""
"729526"	"729526"	"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione"	"O=C(N1CCN(C=C(C(=O)c2ccccc2)C(=O)c3ccccc3)C1=S)c4occc4"	0	""	""	1	1	24203794	""
"729527"	"729527"	"Methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate"	"COC(=O)\C(=C\N1CCN(C(=O)c2occc2)C1=S)\C(=O)C"	0	""	""	1	1	24203795	""
"729529"	"729529"	"(E)-3-(2,3-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cccc(Cl)c3Cl"	0	""	""	2	2	5992706	""
"729530"	"729530"	"AR-685/43307765"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	6214002	""
"729531"	"729531"	"(E)-3-(3,4-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3ccc(OC)c(OC)c3"	0	""	""	1	1	8857297	""
"729532"	"729532"	"AR-685/43307772"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3occc3"	0	""	""	1	1	16044754	""
"729604"	"729604"	"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	"CN(C)CCNC(=O)c1ccc2N3C(=Cc4ccccc4C3=O)Oc2c1"	0	""	""	1	1	24203799	""
"729606"	"729606"	"N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide"	"OCCNCCNC(=O)c1ccc2N3C(=Cc4ccccc4C3=O)Oc2c1"	0	""	""	1	1	24203801	""
"729607"	"729607"	"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide"	"CN(C)CCNC(=O)c1ccc2OC3=Cc4ccccc4C(=O)N3c2c1"	0	""	""	1	1	24203802	""
"729613"	"729613"	"6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzot..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=S)N1"	0	""	""	1	1	24203808	""
"729614"	"729614"	"6- Amino-2-piperdine-1-yl-3H,3'H-spiro(benzothiazol-2,4'..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=N1)N4CCCCC4"	0	""	""	1	1	24203809	""
"729635"	"729635"	"11-(5'-Aminopentylidene)-5,6-dihydro-2,3-dimethoxy-t-met..."	"COc1cc2C(=O)N(C)C3=C(\C(=C\CCCCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	1	1	45027861	""
"729644"	"729644"	"alyssonoside"	"COc1cc(\C=C\C(=O)O[C@@H]2[C@@H](COC3OCC(O)(CO)C3O)O[C@@H](OCCc4ccc(O)c(O)c4)[C@H](O)[C@H]2O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)ccc1O"	0	""	""	1	1	45027864	"142674768"
"729648"	"729648"	"myricoside"	"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c4ccc(O)c(O)c4)[C@H](O)[C@H](OC5OC[C@](O)(CO)[C@H]5O)[C@H]1O"	0	""	""	1	1	45027866	"76076045"
"729649"	"729649"	"iso-acteoside"	"C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc4ccc(O)c(O)c4)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"	0	""	""	1	1	6476333	"61303137"
"729652"	"729652"	"Samioside"	"CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(CO)C2OC(=O)\C=C\c4ccc(O)c(O)c4)C(O)C(O)C1OC5OCC(O)(CO)C5O"	0	""	""	1	1	45027867	""
"729672"	"729672"	"N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imi..."	"Clc1ccc(cc1)\N=C\Nc2ccc(cc2)c3oc4ccccc4n3"	0	""	""	1	1	24203813	""
"729677"	"729677"	"2-[4-(1,3-Benzothiazol-2-yl)phenyl]-1,3-thiazol-4(5H)-one"	"O=C1CSC(=N1)c2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	24203819	""
"729678"	"729678"	"5'-Amino-1,1',2',3-tetrahydrospiro[benzimidazole-2,3'-py..."	"NC1=NNC2(Nc3ccccc3N2)C1C#N"	0	""	""	1	1	24203820	""
"729680"	"729680"	"6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzothiazol..."	"NC1=C(C#N)C2(Nc3ccccc3S2)C(C#N)C(=N1)N4CCOCC4"	0	""	""	1	1	24203822	""
"729775"	"729775"	"4-Aryl-6-Methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5..."	"COc1cccc(c1)C2NC(=S)NC(=C2C(=O)Nc3ccc(Cl)c(Cl)c3)C"	0	""	""	1	1	24203839	""
"729776"	"729776"	"N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2ccccc2O)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	24203840	""
"729777"	"729777"	"4-(2-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2ccccc2Cl)C(=O)Nc3ccc(Cl)c(Cl)c3"	0	""	""	1	1	24203841	""
"729778"	"729778"	"N-(3,4-Dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Oc3ccccc3)c2)C(=O)Nc4ccc(Cl)c(Cl)c4"	0	""	""	1	1	24203842	""
"729789"	"729789"	"4-{[4-(1H-benzo[d]imidazol-2-yl)phenylamino]methylene}-3..."	"CC1=NNC(=O)/C/1=C\Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	135585459	""
"729792"	"729792"	"N-[4-(1H-benzo[d]imidazol-2-yl)phenyl]-N'-(4-chloropheny..."	"Clc1ccc(cc1)\N=C\Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	24203851	""
"729797"	"729797"	"5-({[4-(1,3-benzoxazol-2-yl)phenyl]amino}methylene)pyrim..."	"O=C1NC(=O)C(=CNc2ccc(cc2)c3oc4ccccc4n3)C(=O)N1"	0	""	""	1	1	135585463	""
"729801"	"729801"	"3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-..."	"NC1=NNC(C1C#N)c2oc(cc2)c3ccc(cc3)c4oc5ccccc5n4"	0	""	""	1	1	24203859	""
"729812"	"729812"	"6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-d..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	2	2	44346870	""
"729813"	"729813"	"6-(3-Aminopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4cc5OCOc5cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	44418792	""
"729831"	"729831"	"2-{4-[(1E)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzim..."	"N(N=Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccncc4"	0	""	""	1	1	24203869	""
"729832"	"729832"	"2-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]-1-(2-hydroxye..."	"OCCN(CCO)N=Nc1ccc(cc1)c2nc3ccccc3[nH]2"	0	""	""	1	1	24203870	""
"729833"	"729833"	"3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}..."	"Nc1cc(O)ccc1N=Nc2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	1	1	135585466	""
"729838"	"729838"	"3-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]triaz-2-enyl}p..."	"OCCCNN=Nc1ccc(cc1)c2nc3ccccc3[nH]2"	0	""	""	1	1	24203876	""
"729970"	"729970"	"6-benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-tri..."	"CN(N=Nc1nc(OCc2ccccc2)c3nc[nH]c3n1)C(=O)Oc4ccc(cc4)[N+](=O)[O-]"	0	""	""	1	1	11408262	""
"729972"	"729972"	"(E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one"	"Clc1cccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1"	0	""	""	1	1	11045166	""
"729974"	"729974"	"AR-685/43307762"	"COc1cccc(\C=C\C(=O)c2ccc3cc(OC)ccc3c2)c1"	0	""	""	1	1	7947309	""
"729978"	"729978"	"(E)-3-(2,5-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc(OC)c(\C=C\C(=O)c2ccc3cc(OC)ccc3c2)c1"	0	""	""	2	1	24203887	""
"729998"	"729998"	"N-(2-aminophenyl)-4-[1-(methylbenzylamine-4-ylmethyl)vinyl]b enzamide"	"CN(CC(=C)c1ccc(cc1)C(=O)Nc2ccccc2N)Cc3ccccc3"	0	"HDAC"	""	1	1	11588795	""
"729999"	"729999"	"N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl ]vinyl}benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccn4"	0	"HDAC"	""	1	1	11711325	""
"730001"	"730001"	"N-(2-aminophenyl)-4-[1-(1,3,4,5-tetrahydro-2H-indeno[1,2-c] pyridin-2-ylmethyl)vinyl]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCc4c(C3)[nH]c5ccccc45"	0	"HDAC"	""	3	2	11589884	""
"730002"	"730002"	"N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CNCc3ccccc3"	0	"HDAC"	""	1	1	11588476	""
"730003"	"730003"	"N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(c4)C(F)(F)F"	0	"HDAC"	""	3	2	11605406	""
"730004"	"730004"	"N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide"	"COc1ccccc1N2CCN(CC(=C)c3ccc(cc3)C(=O)Nc4ccccc4N)CC2"	0	"HDAC"	""	1	1	11719179	""
"730006"	"730006"	"4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN(CCN3CCOCC3)CC(=C)c4ccc(cc4)C(=O)Nc5ccccc5N"	0	"HDAC"	""	1	1	24203889	""
"730009"	"730009"	"cis-2,5,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)..."	"CN1[C@H]2[C@H](C(=O)c3cc4OCOc4cc23)c5ccc(cc5C1=O)[N+](=O)[O-]"	0	""	""	2	2	45027874	""
"730026"	"730026"	"N4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine..."	"CCC(CC)c1nc(Nc2cccc(OC)c2)c3ccccc3n1"	0	""	""	1	1	729549	""
"730035"	"730035"	"6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz..."	"Cn1c(nc2ccccc12)c3c(N)n(Cc4ccc(F)cc4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	1179229	""
"730036"	"730036"	"6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz..."	"Cn1c(nc2ccccc12)c3c(N)n(Cc4ccc(Cl)cc4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	1179230	""
"730038"	"730038"	"6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzo[d]imida..."	"Cn1c(nc2ccccc12)c3c(N)n(Nc4cccc(Cl)c4)c5nc(C#N)c(nc35)C#N"	0	""	""	1	1	1179233	""
"730041"	"730041"	"6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2..."	"Nc1c(c2nc(C#N)c(nc2n1Cc3ccc(Cl)cc3)C#N)S(=O)(=O)c4ccccc4"	0	""	""	1	1	1426067	""
"730045"	"730045"	"6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5..."	"COc1ccc(Cn2c(N)c(c3nc(C#N)c(nc23)C#N)S(=O)(=O)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	1640083	""
"730085"	"730085"	"3-[2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2C#CCO"	0	""	""	1	1	24203899	""
"730089"	"730089"	"3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol"	"CCCCCCC#Cc1ccccc1C#CCO"	0	""	""	1	1	24203903	""
"730091"	"730091"	"2-[(Z)-6-(2-Nitrophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2[N+](=O)[O-]"	0	""	""	1	1	24203905	""
"730137"	"730137"	"N-(4-Fluorophenyl)furo[3,2-c]quinolin-4-amine"	"Fc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24203907	""
"730138"	"730138"	"N-(4-Chlorophenyl)furo[3,2-c]quinolin-4-amine"	"Clc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24203908	""
"730142"	"730142"	"N-(3-Methoxyphenyl)furo[3,2-c]quinolin-4-amine"	"COc1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	24203912	""
"730143"	"730143"	"N-(4-Methoxyphenyl)furo[3,2-c]quinolin-4-amine"	"COc1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24203913	""
"730144"	"730144"	"2-(Furo[3,2-c]quinolin-4-ylamino)phenol"	"Oc1ccccc1Nc2nc3ccccc3c4occc24"	0	""	""	1	1	24203914	""
"730145"	"730145"	"3-(Furo[3,2-c]quinolin-4-ylamino)phenol"	"Oc1cccc(Nc2nc3ccccc3c4occc24)c1"	0	""	""	1	1	24203915	""
"730184"	"730184"	"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-{4-[2(..."	"COC(=O)[C@H]1[C@H]2C[C@H](C(C(=O)OC)C1(O)[C@@H](C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)C(C)c4ccc(CC(C)C)cc4)cc3"	0	""	""	1	1	54717813	""
"730188"	"730188"	"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=S)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	24203929	""
"730198"	"730198"	"(4E)-4-(1,3-Benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one"	"CSC1C(C)\C(=N/Nc2nc3ccccc3s2)\c4ccccc4C1=O"	0	""	""	1	1	24203938	""
"730199"	"730199"	"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol"	"CSC1=C\C(=N/Nc2nc3ccccc3s2)\c4ccccc4C1=O"	0	""	""	1	1	135585470	""
"730214"	"730214"	"N6-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3..."	"COc1ccccc1NC(=O)c2sc3N=CN(CCOc4ccccc4)C(=O)c3c2C"	0	""	""	1	1	1178182	""
"730231"	"730231"	"(2Z,6E,10E)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/CC=C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	16738556	""
"730232"	"730232"	"(2Z,6E,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexade..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/CC=C(C)C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	1	1	16736584	""
"730233"	"730233"	"(2Z,6E,10E)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,1..."	"CN(CCCCCl)P(=O)(OC\C=C(\CC\C=C(/C)\CCC=C(C)C)/C(C)(C)C)OCc1oc(cc1)[N+](=O)[O-]"	0	""	""	2	2	11635544	""
"730246"	"730246"	"4-(4-Methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	"COc1ccc(cc1)c2csc(Nc3cccc(c3)c4csc(C)n4)n2"	0	""	""	2	2	24203947	""
"730247"	"730247"	"4-(4-Chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine"	"Cc1nc(cs1)c2cccc(Nc3nc(cs3)c4ccc(Cl)cc4)c2"	0	""	""	1	1	24203948	""
"730254"	"730254"	"N-[4-[2-[4-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)c2csc(Nc3ccc(cc3)c4csc(n4)c5ccccc5)n2"	0	""	""	1	1	24203951	""
"730267"	"730267"	"6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2nc(cn3ccnc23)c4ccc(C)cc4"	0	""	""	1	1	11771442	""
"730269"	"730269"	"2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2C(F)(F)F"	0	""	""	2	2	24203959	""
"730290"	"730290"	"2-[(E)-(2-Chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)c3ccccn3"	0	""	""	1	1	24203971	""
"730294"	"730294"	"(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C\c3ccncc3)\c2c1"	0	""	""	1	1	24203974	""
"730302"	"730302"	"(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chloropheny..."	"Clc1cccc(c1)\N=C\Nc2ccc(cc2)c3nc4ccccc4s3"	0	""	""	1	1	24203981	""
"730307"	"730307"	"5'-Amino-2',4'-dihydro-3H-spiro[1,3-benzothiazole-2,3'-p..."	"NC1=NNC2(Nc3ccccc3S2)C1C#N"	0	""	""	1	1	24203986	""
"730323"	"730323"	"4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)p..."	"CN(C)c1ccc(\C=N\Nc2ccc(cc2)c3nc4ccccc4[nH]3)cc1"	0	""	""	1	1	24204003	""
"730326"	"730326"	"2-Amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	1	1	24204006	""
"730327"	"730327"	"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide"	"Cc1cn2c(\C=N\NC3=NCCN3)c(nc2s1)c4ccc(Cl)c(c4)[N+](=O)[O-]"	0	""	""	1	1	24204008	""
"730328"	"730328"	"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	"Cc1cn2c(\C=N\Nc3ccccn3)c(nc2s1)c4ccc(Cl)c(c4)[N+](=O)[O-]"	0	""	""	1	1	24204010	""
"730435"	"730435"	"6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,6-dihydro-2..."	"COc1cc2C(=O)N(CCCN)C3=C(\C(=C\CCN)\c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027875	""
"730451"	"730451"	"6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	17755853	""
"730453"	"730453"	"3-Amino-6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenediox..."	"Nc1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4cc5OCOc5cc4C3=O"	0	""	""	1	1	45027877	""
"730460"	"730460"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)[C@H]2OC(=O)C)N6CCCC6)ccc1OCCCn7ccnc7"	0	""	""	3	2	24204019	""
"730461"	"730461"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-1..."	"COc1cc(\C=C\2/CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]3(C)C2=O)OC(=O)C)ccc1OCCCn6ccnc6"	0	""	""	1	1	24204020	""
"730473"	"730473"	"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-5-..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCN6CCCCC6"	0	""	""	1	1	24204032	""
"730474"	"730474"	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC"	0	""	""	1	1	24204033	""
"730475"	"730475"	"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-3a-py..."	"CCN(CC)CCOc1ccc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)cc1OC"	0	""	""	1	1	24204034	""
"730476"	"730476"	"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCN6CCCC6"	0	""	""	1	1	24204035	""
"730477"	"730477"	"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCN6CCCC6"	0	""	""	1	1	24204036	""
"730478"	"730478"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)ccc1OCCCn6ccnc6"	0	""	""	1	1	24204037	""
"730479"	"730479"	"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-5..."	"COc1cc(\C=C\2/C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)C)OC(=O)C)ccc1OCCCn6ccnc6"	0	""	""	2	2	24204038	""
"730505"	"730505"	"FLUOROQUINOLONR DR"	"COc1ncnc(c1OC)S(=O)(=O)c2ccc(cc2)\N=C\3/C(=O)N(CN4CCN(CC4)c5cc6N(C=C(C(=O)O)C(=O)c6cc5F)C7CC7)c8ccc(Cl)cc38"	0	""	""	1	1	24204048	""
"730507"	"730507"	"IQDMA"	"CN(C)CCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	3	2	24204050	""
"730508"	"730508"	"N-(11H-Indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine"	"CN(C)CCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	24204051	""
"730509"	"730509"	"[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol"	"OCNCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	1	1	24204052	""
"730510"	"730510"	"N-(4-Methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine"	"COc1ccc(Nc2c3ccccc3nc4[nH]c5ccccc5c24)cc1"	0	""	""	1	1	24204053	""
"730514"	"730514"	"6-Methyl-5H-indolo[2,3-b]quinolin-11-one"	"Cn1c2Nc3ccccc3C(=O)c2c4ccccc14"	0	""	""	1	1	12205646	""
"730515"	"730515"	"N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine"	"COc1ccc(Nc2c3ccccc3nc4c2c5ccccc5n4C)cc1"	0	""	""	1	1	24204057	""
"730517"	"730517"	"(2Z)-2-[[5-Methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one"	"Cc1sc(NC2=NC(=O)CS2)nc1c3nc(NC4=NC(=O)CS4)sc3C"	0	""	""	1	1	135585485	""
"730518"	"730518"	"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"O=C1N=C(Nc2nc(cs2)c3csc(NC4=NC(=O)\C(=C/c5ccccc5)\S4)n3)S/C/1=C/c6ccccc6"	0	""	""	1	1	24204060	""
"730519"	"730519"	"(5E)-5-[(4-Methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Cc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(cs3)c4csc(NC5=NC(=O)\C(=C/c6ccc(C)cc6)\S5)n4)cc1"	0	""	""	1	1	24204061	""
"730520"	"730520"	"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Clc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(cs3)c4csc(NC5=NC(=O)\C(=C/c6ccc(Cl)cc6)\S5)n4)cc1"	0	""	""	1	1	24204062	""
"730522"	"730522"	"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"Cc1sc(NC2=NC(=O)\C(=C/c3ccccc3)\S2)nc1c4nc(NC5=NC(=O)\C(=C/c6ccccc6)\S5)sc4C"	0	""	""	2	2	24204064	""
"730523"	"730523"	"(5E)-2-[[5-Methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one"	"Cc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(c(C)s3)c4nc(NC5=NC(=O)\C(=C/c6ccc(C)cc6)\S5)sc4C)cc1"	0	""	""	2	2	24204065	""
"730524"	"730524"	"(5E)-5-[(4-Methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one"	"COc1ccc(\C=C/2\SC(=NC2=O)Nc3nc(c(C)s3)c4nc(NC5=NC(=O)\C(=C/c6ccc(OC)cc6)\S5)sc4C)cc1"	0	""	""	2	2	24204066	""
"730563"	"730563"	"Miliusane A"	"CC(=CCC\C(=C\[C@H]1OC(=O)CC12C[C@H](O)C=CC2=O)\C)C"	0	""	""	2	1	24204084	""
"730564"	"730564"	"Miliusane B"	"CO[C@@H]1CC(=O)C2(C[C@@H]1O)CC(=O)O[C@@H]2\C=C(/C)\CCC=C(C)C"	0	""	""	2	2	24204085	""
"730565"	"730565"	"Miliusate"	"CC(=CCC\C(=C\[C@H]1OC(=O)CC12C[C@H](OC(=O)C)C=CC2=O)\C)C"	0	""	""	2	2	24204086	""
"730586"	"730586"	"1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)cc1"	0	""	""	1	1	24204099	""
"730590"	"730590"	"(E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one"	"COc1cccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1"	0	""	""	1	1	19562945	""
"730594"	"730594"	"3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one"	"COc1cc(cc(OC)c1OC)C2SCC(=O)N2c3ncc(C)s3"	0	""	""	1	1	24204100	""
"730601"	"730601"	"N-[4-[(4Z)-4-[(4-Methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide"	"CCC(=O)Nc1ccc(cc1)N2C(=O)\C(=C\c3ccc(OC)cc3)\N=C2c4ccccc4"	0	""	""	1	1	24204102	""
"730607"	"730607"	"4-amino-1-benzylpiperidine"	"NC1CCN(Cc2ccccc2)CC1"	0	""	""	1	1	415852	"50541930"
"730608"	"730608"	"3-(diallylaminomethyl)-indole"	"C=CCN(CC=C)Cc1c[nH]c2ccccc12"	0	""	""	1	1	714712	"150462354"
"730629"	"730629"	"{6-(3-tert-Butyloxycarbonylamino-1-propyl)-5,6-dihydro-2..."	"COc1cc2C(=O)N(CCCN(CCCN(CCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C7=C(C(=O)c8cc9OCOc9cc78)c2cc1OC"	0	""	""	1	1	11849828	""
"730630"	"730630"	"5,6-Dihydro-6-[(3-triethylammonium)-1-propyl]-5,11-dioxo..."	"CC[N+](CC)(CC)CCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	11259930	""
"730631"	"730631"	"Bis-{(5,6-dihydro-5,11-diketo-11H[1,2-c]isoquinoline)-6-..."	"O=C1N(CCNCCNCCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	2	45027878	""
"730632"	"730632"	"{6-(3-Amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-meth..."	"COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4ccccc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8cc9OCOc9cc78)c2cc1OC"	0	""	""	2	1	45027879	""
"730661"	"730661"	"[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-Trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate"	"CC(=O)O[C@H]1C[C@@H]2[C@H](O[C@H](O)C2=C)[C@@]3(O)OC4(C=C3C)[C@H]5[C@@H]6[C@H](C[C@]5(C)O)OC(=O)[C@]146"	0	""	""	1	1	24204112	""
"730662"	"730662"	"Eunicin-cyclo"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2CC3[C@@H](OC(=O)C34CC4)[C@H]1O2)\C"	0	""	""	1	1	24204113	""
"730664"	"730664"	"Eunicin-cyclobilactone"	"C[C@H](CCCC(=O)C)[C@@H]1O[C@@H](CC2[C@H]1OC(=O)C23CC3)[C@@]4(C)CCC(=O)O4"	0	""	""	1	1	9976935	""
"730665"	"730665"	"Eunicin-alkene"	"C\C=C/1\C2C[C@@H]3O[C@@H]([C@H](C)CCC\C(=C\CC[C@@]3(C)O)\C)[C@@H]2OC1=O"	0	""	""	1	1	24204115	""
"730690"	"730690"	"N-Phenethyltriphenylacetamide"	"O=C(NCCc1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	1	1	11349856	""
"730691"	"730691"	"N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide"	"COc1cccc(CCNC(=O)CC(c2ccccc2)(c3ccccc3)c4ccccc4)c1"	0	""	""	1	1	11453337	""
"730708"	"730708"	"2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol"	"COc1ccc(Nc2nnc(s2)c3cc(O)ccc3O)cc1"	0	""	""	1	1	135585492	""
"730711"	"730711"	"2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone"	"Cc1nn(c(C)c1CC(=O)c2cc(O)ccc2O)c3ccc(Br)cc3"	0	""	""	1	1	24204134	""
"730735"	"730735"	"1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-4-methylcyclo..."	"CC1CCC(CC1)(NOC2=NCCN2)C#N"	0	""	""	1	1	11148771	""
"730736"	"730736"	"1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-3-methylcyclo..."	"CC1CCCC(C1)(NOC2=NCCN2)C#N"	0	""	""	1	1	11736196	""
"730813"	"730813"	"Pulcherrimin E"	"CO[C@H]1[C@@H](OC(=O)c2ccccc2)[C@]3(O)[C@](C)(CC[C@H](OC(=O)c4ccccc4)[C@]3(C)C(=O)O)[C@H]5Cc6occc6[C@H](C)[C@H]15"	0	""	""	1	1	24204173	""
"730815"	"730815"	"Neocaesalpin G"	"CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](O)[C@@H](OC(=O)\C=C\c4ccccc4)[C@@]5(O)C(C)(C)CCC[C@]35C"	0	""	""	1	1	11295185	""
"730868"	"730868"	"(+)-(2R,3R)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-..."	"OC[C@H]1O[C@@H]1C#CC#CC2=CC=CC(=O)O2"	0	""	""	2	2	11816756	""
"730870"	"730870"	"Bis-{(5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinol..."	"O=C1N(CCNCCNCCNCCN2C(=O)c3ccccc3C4=C2c5ccccc5C4=O)C6=C(C(=O)c7ccccc67)c8ccccc18"	0	""	""	2	1	45027880	""
"730874"	"730874"	"HYDRAZONE"	"Cc1ccc(cc1)C(=O)N\N=C\2/C(=O)Nc3ccc(Cl)cc23"	0	""	""	1	1	5158729	""
"730919"	"730919"	"1,2,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd..."	"COc1cc2Cc3c(ncc4c(OC)c(OC)c(OC)cc34)c2cc1OC"	0	""	""	1	1	11235079	""
"730920"	"730920"	"2,3-Methylenedioxy-7,8-methylenedioxy-11H-indeno[1,2-c]i..."	"C1Oc2cc3Cc4c(ncc5cc6OCOc6cc45)c3cc2O1"	0	""	""	3	2	11427824	""
"730921"	"730921"	"1,2,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso..."	"COc1cc2c3Cc4cc5OCOc5cc4c3ncc2c(OC)c1OC"	0	""	""	1	1	11188373	""
"730922"	"730922"	"2,3,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso..."	"COc1cc2cnc3c(Cc4cc5OCOc5cc34)c2c(OC)c1OC"	0	""	""	2	2	11315214	""
"730923"	"730923"	"1,4-Dimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoqui..."	"COc1ccc(OC)c2c3Cc4cc5OCOc5cc4c3ncc12"	0	""	""	1	1	11382758	""
"730924"	"730924"	"2,3,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hy..."	"COc1cc2Cc3c(ncc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC"	0	""	""	1	1	11373887	""
"730925"	"730925"	"2,3,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd..."	"COc1cc2Cc3c(ncc4cc(OC)c(OC)c(OC)c34)c2cc1OC"	0	""	""	1	1	11246677	""
"730926"	"730926"	"1,4,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydry..."	"COc1cc2Cc3c(ncc4c(OC)ccc(OC)c34)c2cc1OC"	0	""	""	1	1	11749136	""
"730927"	"730927"	"7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]iso..."	"COc1cc2Cc3c(ncc4cc5OCOc5cc34)c2c(OC)c1OC"	0	""	""	1	1	11303773	""
"730933"	"730933"	"3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione"	"Cc1c(c2ccnc(N)n2)c3C(=O)c4ccccc4C(=O)c3n1Cc5ccccc5"	0	""	""	1	1	54612650	""
"730934"	"730934"	"3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione"	"Cc1c(c2ccnc(N)n2)c3C(=O)c4ccccc4C(=O)c3n1c5ccccc5"	0	""	""	1	1	54612651	""
"730944"	"730944"	"3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one"	"COc1ccc(cc1)C#CC2=C(Br)C(=O)OC2"	0	""	""	1	1	24204187	""
"730946"	"730946"	"4-(2-(4-methoxyphenyl)ethynyl)-3-(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1)C#CC2=C(C(=O)OC2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	24204189	""
"730973"	"730973"	"7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol"	"OCC#CCCCCOCC#Cc1ccccc1C#CCOCCCCC#CCO"	0	""	""	1	1	24204212	""
"730999"	"730999"	"epi-dehydroabietic acid"	"CC(C)c1ccc2c(CC[C@@H]3[C@](C)(CCC[C@]23C)C(=O)O)c1"	0	""	""	1	1	1761729	"2984045"
"731013"	"731013"	"3,3'-di(5,5'-dimethoxyindolyl)methane"	"COc1ccc2[nH]cc(Cc3c[nH]c4ccc(OC)cc34)c2c1"	0	""	""	1	1	9944370	""
"731014"	"731014"	"3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol"	"OCC#Cc1ccccc1C#Cc2ccc(cc2)C#Cc3ccccc3"	0	""	""	1	1	24204228	""
"731015"	"731015"	"Methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate"	"COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC34C[C@@H](C=CO3)[C@@H](C)CC24O"	0	""	""	1	1	24204229	""
"731022"	"731022"	"1-[(4R,6S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone"	"CC(=O)[C@@]12O[C@@H]1CC3C4CCC5=CC(O)CCC5(C)C4CCC23C"	0	""	""	1	1	24204235	""
"731057"	"731057"	"5-[(4-trifluoromethylthio)benzyliden]-2(4-methoxy)phenyl..."	"CCCN1\C(=N\c2ccc(OC)cc2)\S\C(=C/c3ccc(SC(F)(F)F)cc3)\C1=O"	0	""	""	1	1	24204241	""
"731093"	"731093"	"ISATIN DR"	"COc1c(N2CCN(CN3C(=O)C(=O)c4cc(Cl)ccc34)C(C)C2)c(F)cc5C(=O)C(=CN(C6CC6)c15)C(=O)O"	0	""	""	1	1	24204246	""
"731094"	"731094"	"ISATIN DR"	"COc1c(N2CCN(CN3C(=O)\C(=N/c4ccc(cc4)S(=O)(=O)Nc5ncccn5)\c6ccccc36)C(C)C2)c(F)cc7C(=O)C(=CN(C8CC8)c17)C(=O)O"	0	""	""	1	1	15954458	""
"731097"	"731097"	"2ARYL BENIMIDAZOLE"	"Nc1ccc(c(O)c1)c2nc3ccccc3[nH]2"	0	""	""	1	1	135578129	""
"731098"	"731098"	"6-ARYL ALKYL FLUORO QUINOLONE DERIVATIVE"	"COc1ncnc(NS(=O)(=O)c2ccc(cc2)\N=C\3/C(=O)N(CN4CCN(CC4C)c5c(F)cc6C(=O)C(=CN(C7CC7)c6c5OC)C(=O)O)c8ccc(Br)cc38)c1OC"	0	""	""	1	1	11643654	""
"731099"	"731099"	"6-ARYL ALKYL FLUORO QUINOLONE DERIVATIVE"	"COc1c(N2CCN(CN3C(=O)\C(=N/NC(=O)c4ccncc4)\c5cc(F)ccc35)C(C)C2)c(F)cc6C(=O)C(=CN(C7CC7)c16)C(=O)O"	0	""	""	1	1	135465400	""
"731103"	"731103"	"6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Clc1ccc(cc1)c2nc(cn3ccnc23)c4ccccc4"	0	""	""	1	1	11243686	""
"731104"	"731104"	"6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Cc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	3	2	11336170	""
"731105"	"731105"	"6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	1	1	11484463	""
"731106"	"731106"	"6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine"	"Clc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc(Cl)cc4"	0	""	""	1	1	11371203	""
"731128"	"731128"	"2[4-(fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(Oc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	24204258	""
"731129"	"731129"	"2-[3,4,5(trimethoxy)benzylamino]-3-phenyl-5,7-diamino qu..."	"COc1cc(CNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	24204259	""
"731130"	"731130"	"2-[4-(fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(Nc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	24204260	""
"731131"	"731131"	"2-[4-(fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline"	"Nc1cc(N)c2nc(c(NCc3ccc(F)cc3)nc2c1)c4ccccc4"	0	""	""	1	1	24204261	""
"731153"	"731153"	"6-(3-Azidopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	17755021	""
"731154"	"731154"	"6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-in..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccccc4C3=O"	0	""	""	1	1	17755848	""
"731155"	"731155"	"6-(3-Aminopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	17756085	""
"731162"	"731162"	"4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino..."	"CCOC1Oc2ccc(C)cc2C(=O)/C/1=C\Nc3ccc(cc3)S(=O)(=O)N"	0	""	""	1	1	24204276	""
"731164"	"731164"	"2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-b..."	"COC(=O)c1cc2oc(\C=C\3/SC(=S)N(NC(=O)C)C3=O)cc2n1Cc4ccccc4"	0	""	""	1	1	24204277	""
"731166"	"731166"	"tert-Butyl 3-[(anilinocarbothioyl)amino]methyl-1H-1-indo..."	"CC(C)(C)OC(=O)n1cc(CNC(=S)Nc2ccccc2)c3ccccc13"	0	""	""	1	1	24204278	""
"731178"	"731178"	"beta-N-ribofuranosylbenzocamalexin, 2-(3-Benzothiazol-2-..."	"OCC1OC(C(O)C1O)N2C=C(C3C=CC=CC23)c4nc5ccccc5s4"	0	""	""	1	1	24204284	""
"731197"	"731197"	"2-carboxy-(2?-furyl)-6(7)-methyl-3-trifluoromethylquinox..."	"Cc1ccc2c(c1)[n+]([O-])c(c(C(=O)c3occc3)[n+]2[O-])C(F)(F)F"	0	""	""	2	2	24204285	""
"731198"	"731198"	"2-carboxy-(2?-furyl)-7-methoxy-3-trifluoromethylquinoxal..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)c3occc3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	23635645	""
"731201"	"731201"	"ethyl 6,7-dichloro-3-phenyl-2-quinoxalincarboxylate 1,4-..."	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	24204287	""
"731203"	"731203"	"ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide"	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3ccc(Cl)cc3[n+]1[O-]"	0	""	""	1	1	24204289	""
"731204"	"731204"	"ethyl 6,7-difluor-3-phenyl-2-quinoxalincarboxylate 1,4-d..."	"CCOC(=O)c1c(c2ccccc2)[n+]([O-])c3cc(F)c(F)cc3[n+]1[O-]"	0	""	""	1	1	24204290	""
"731283"	"731283"	"(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine"	"C\C(=N/O)\[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)\C(=N\O)\CC[C@@]45CC35CC[C@]12C"	0	""	""	1	1	24204297	""
"731291"	"731291"	"9-Isobutyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,..."	"CCOC(=O)c1c(C)n(CC(C)C)c2c1cc3OC(=O)C(=O)n4cnc2c34"	0	""	""	1	1	24204305	""
"731292"	"731292"	"9-Benzyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,9-..."	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc4OC(=O)C(=O)n5cnc3c45"	0	""	""	1	1	24204306	""
"731294"	"731294"	"yieldene malononitrile"	"Fc1ccc2OCCC(=C(C#N)C#N)c2c1"	0	""	""	1	1	11528605	""
"731299"	"731299"	"3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one"	"ClC1=NN=C2Sc3ccccc3N2C1=O"	0	""	""	1	1	826953	""
"731356"	"731356"	"2 -Amino-6-(ethylthio)-4-(furan-2-yl)pyridine-3,5-dicarb..."	"CCSc1nc(N)c(C#N)c(c2occc2)c1C#N"	0	""	""	1	1	745534	""
"731358"	"731358"	"7-(Benzylthio)-5-(furan-2-yl)-1,2,3,4-tetrahydro-2,4-dit..."	"S=C1NC(=S)c2c(N1)nc(SCc3ccccc3)c(C#N)c2c4occc4"	0	""	""	1	1	24204316	""
"731362"	"731362"	"2,4,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-..."	"CCSc1nc(SCC)c2c(c3ccc(OC)c(OC)c3)c(C#N)c(SCC)nc2n1"	0	""	""	1	1	24204320	""
"731388"	"731388"	"2-Benzylthio-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-tria..."	"Clc1cc(SCc2ccccc2)c(cc1C#N)S(=O)(=O)Nc3nnc(c4ccccc4)c(n3)c5ccccc5"	0	""	""	1	1	11169080	""
"731392"	"731392"	"6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfo..."	"Cc1cc2c(S\C(=N/c3ccc(Cl)cc3)\N(S(=O)(=O)c4ccccc4)S2(=O)=O)cc1Cl"	0	""	""	1	1	24204334	""
"731393"	"731393"	"2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophen..."	"Cc1cc2c(S\C(=N/c3ccc(Cl)cc3)\N(S(=O)(=O)c4ccc(Br)s4)S2(=O)=O)cc1Cl"	0	""	""	1	1	24204335	""
"731397"	"731397"	"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)be..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)Nc3oc4ccccc4n3"	0	""	""	1	1	16092421	""
"731399"	"731399"	"2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimi..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)N=C3Nc4ccccc4N3"	0	""	""	1	1	16092413	""
"731402"	"731402"	"2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,1-dioxo..."	"COc1ccc(cc1)C2=CSc3cc(Cl)c(C)cc3S(=O)(=O)N2C(=O)C"	0	""	""	1	1	24204341	""
"731406"	"731406"	"Arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(cc3)c4ccc(CCl)cc4)c2n1"	0	""	""	1	1	24204344	""
"731408"	"731408"	"6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine"	"ClCc1ccc(cc1)c2ccc(Cn3cnc4c(Cl)ncnc34)cc2"	0	""	""	1	1	24204346	""
"731409"	"731409"	"6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine"	"ClCc1ccc(Cn2cnc3c(Cl)ncnc23)cc1"	0	""	""	3	2	24204347	""
"731435"	"731435"	"Pancracine"	"O[C@H]1C[C@@H]2CN3C[C@H](C2=C[C@@H]1O)c4cc5OCOc5cc34"	0	""	""	1	1	24204350	""
"731527"	"731527"	"cyanoaminopyranopyridine derivatives"	"COc1ccc(cc1OC)c2c3COc4ccc(F)cc4c3nc(N)c2C#N"	0	""	""	1	1	11494577	""
"731543"	"731543"	"6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di..."	"[N-]=[N+]=NCCCN1C(=O)c2ccccc2C3=C1c4cc5OCOc5cc4C3=O"	0	""	""	1	1	11280256	""
"731589"	"731589"	"5-[(E)-2-[(7R,8Ar,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol"	"COc1cc(\C=C\c2cc(O)c(C\C=C(/C)\CC\C=C(/C)\CO)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	""	""	3	3	24204369	""
"731615"	"731615"	"Trans-N-{4-[N'-(4-chlorophenyl)hydrazinocarbonyl]cyclohe..."	"Clc1ccc(NNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3Cl)CC2)cc1"	0	""	""	1	1	24204371	""
"731621"	"731621"	"Trans-N-{4-[N'-(4-fluorophenyl)hydrazinocarbonyl]cyclohe..."	"Fc1ccc(NNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1"	0	""	""	1	1	24204377	""
"731647"	"731647"	"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine"	"C(=C/C#Cc1cnccn1)/C#Cc2cnccn2"	0	""	""	1	1	11436194	""
"731654"	"731654"	"MANNICH BASES"	"COc1cc(Cc2cnc(\N=C\3/C(=O)N(CN4CCN(CC4C)c5c(F)cc6C(=O)C(=CN(C7CC7)c6c5OC)C(=O)O)c8ccc(F)cc38)nc2N)cc(OC)c1OC"	0	""	""	1	1	9567684	""
"731698"	"731698"	"1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-..."	"COC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	11646385	""
"731699"	"731699"	"1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-..."	"CCCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	11502167	""
"731700"	"731700"	"1[(4-benzyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2..."	"[O-][N+](=O)c1ccc(ON=[N+]([O-])N2CCN(CC2)C(=O)OCc3ccccc3)c(c1)[N+](=O)[O-]"	0	""	""	1	1	11626484	""
"731701"	"731701"	"1[(4-n-butyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,..."	"CCCCOC(=O)N1CCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	11495269	""
"731703"	"731703"	"(O2-[2,4-dinitro-5-(N-methyl-N-4-carboxyphenylamino)phen..."	"CN(C)[N+](=NOc1cc(N(C)c2ccc(cc2)C(=O)O)c(cc1[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	11154356	""
"731704"	"731704"	"1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2..."	"CCOC(=O)N1CCCN(CC1)[N+](=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	2	2	11567470	""
"731706"	"731706"	"(O2-[2,4-dinitro-5-(N-3-caboethoxyphenylamino)phenyl 1-N..."	"CN(C)[N+](=NOc1cc(Nc2cccc(c2)C(=O)O)c(cc1[N+](=O)[O-])[N+](=O)[O-])[O-]"	0	""	""	1	1	11509692	""
"731721"	"731721"	"Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanep..."	"CCOP(=O)(OCC)C(NC(c1ccccc1)c2ccccc2)c3cccc4ccccc34"	0	""	""	1	1	24204395	""
"731726"	"731726"	"4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)..."	"FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)c3ccc(cc3)c4ccccc4"	0	""	""	1	1	24204399	""
"731745"	"731745"	"4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide"	"Cc1ccc(cc1)c2cc(C3=CC(=O)C=CC3=O)n(n2)c4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	24204410	""
"731748"	"731748"	"4-[3-(4-Chlorophenyl)-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pyrazol-1-yl]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc(cc2C3=CC(=O)C=CC3=O)c4ccc(Cl)cc4"	0	""	""	1	1	24204413	""
"731803"	"731803"	"3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	24204419	""
"731805"	"731805"	"4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)c4ccc(Cl)cc4"	0	""	""	1	1	24204421	""
"731806"	"731806"	"N-[4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccccc4"	0	""	""	1	1	24204422	""
"731807"	"731807"	"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide"	"COc1ccc(OC)c(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)NC(=O)C)c4ccc(Cl)cc4"	0	""	""	1	1	24204423	""
"731809"	"731809"	"2-(2,5-Diphenylpyrazol-3-yl)benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cc(nn2c3ccccc3)c4ccccc4"	0	""	""	1	1	135585506	""
"731812"	"731812"	"2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cc(nn2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	1	1	135585509	""
"731814"	"731814"	"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide"	"CC(=O)NS(=O)(=O)c1ccc(cc1)n2nc(cc2c3cc(O)ccc3O)c4ccc(Cl)cc4"	0	""	""	1	1	135585511	""
"731819"	"731819"	"(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"COc1cccc(OC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c1"	0	""	""	1	1	11682519	""
"731820"	"731820"	"(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccc(Cl)cc3Cl)ccn1"	0	""	""	1	1	11546395	""
"731821"	"731821"	"(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccc(Cl)cc3)ccn1"	0	""	""	1	1	11682621	""
"731822"	"731822"	"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3ccccc3Cl)ccn1"	0	""	""	2	2	11292294	""
"731823"	"731823"	"(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3cccc(Cl)c3)ccn1"	0	""	""	1	1	11545634	""
"731824"	"731824"	"(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)Oc3c(Cl)cc(Cl)cc3Cl)ccn1"	0	""	""	1	1	11648315	""
"731862"	"731862"	"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-..."	"COC(=O)[C@H]1[C@H]2C[C@H]([C@H](C(=O)OC)[C@]1(O)[C@@H](C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)\C=C\c4occc4)cc3"	0	""	""	1	1	54717815	""
"731864"	"731864"	"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(2-..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccc(OC(=O)C(Cc4ccccc4)NC(=O)C)cc3"	0	""	""	1	1	54717817	""
"731921"	"731921"	"Calendulaglycoside D2"	"CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CC[C@H](OC6OC(C(O)C(O)C6O)C(=O)O)C(C)(C)C5CCC34C)C2C1)C(=O)OC7OC(CO)C(O)C(O)C7O"	0	""	""	1	1	24204446	""
"731928"	"731928"	"haterumalide NA methyl esters"	"COC(=O)C\C(=C\[C@@H](O)[C@H]1O[C@@H]2CC\C(=C\C\C=C(\C)/[C@@H](CC(=O)O[C@@H]1C2)OC(=O)C)\Cl)\C"	0	""	""	1	1	24204452	"634606692"
"731929"	"731929"	"haterumalide ring system"	"CC(=O)O[C@@H]1CC(=O)O[C@@H]2C[C@@H](CC\C(=C\C\C=C/1\C)\Cl)O[C@@H]2CO"	0	""	""	2	1	24204453	""
"731981"	"731981"	"5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-me..."	"CN(CCCCCl)P(=O)(OCC1OC(N2C=CC(=NC2=O)N)C(F)(F)C1O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	24204454	""
"731987"	"731987"	"1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,3,4]oxadiazol-3..."	"CC(=O)c1ccc(NCN2N=C(OC2=S)c3ccccc3O)cc1"	0	""	""	1	1	135585516	""
"731989"	"731989"	"3-[(4-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-..."	"Oc1ccccc1C2=NN(CNc3ccc(Cl)cc3)C(=S)O2"	0	""	""	1	1	135585518	""
"731990"	"731990"	"3-[(3-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-..."	"Oc1ccccc1C2=NN(CNc3cccc(Cl)c3)C(=S)O2"	0	""	""	1	1	3072664	""
"731991"	"731991"	"2-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad..."	"OC(=O)c1ccccc1NCN2N=C(OC2=S)c3ccccc3O"	0	""	""	1	1	135585519	""
"731992"	"731992"	"4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad..."	"OC(=O)c1ccc(NCN2N=C(OC2=S)c3ccccc3O)cc1"	0	""	""	1	1	135585520	""
"732001"	"732001"	"Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbon..."	"CCOC(=O)c1cc2cc(NC(=O)c3cc4cc(ccc4n3C)[N+](=O)[O-])ccc2n1C"	0	""	""	1	1	24204472	""
"732004"	"732004"	"Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carbox..."	"COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n(C)c3)cn2C)cn1C"	0	""	""	1	1	24204476	""
"732011"	"732011"	"SR16157"	"CCN(CC)CCOCC[C@H]1CC[C@H]2[C@@H]3[C@H](C)Cc4cc(OS(=O)(=O)N)ccc4[C@H]3CC[C@]12C"	0	"Ho"	"Clinical trial"	2	2	24202898	""
"732061"	"732061"	"(1S,4S,6S,9E,13R,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC[C@]3(C)O[C@H]3CC1)C(=C)C(=O)O2"	0	""	""	1	1	24204492	""
"732087"	"732087"	"N/A."	"ClCc1ccc(Cn2cnc3ncnc(Cl)c23)cc1"	0	""	""	1	1	24204506	""
"732090"	"732090"	"6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine"	"Cc1cc(C)c(Cn2cnc3c(Cl)ncnc23)c(C)c1CCl"	0	""	""	1	1	24204509	""
"732109"	"732109"	"5-bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid..."	"COC(=O)c1oc2c(O)c(OC)c(Br)cc2c1C"	0	""	""	1	1	24204520	""
"732112"	"732112"	"6-(O-ethyl-2?-diethylamino)-7-(p-methoxycinnamoyl)-3-met..."	"CCN(CC)CCOc1ccc2c(C)c(oc2c1C(=O)\C=C\c3ccc(OC)cc3)C(=O)OC"	0	""	""	2	2	24204523	""
"732113"	"732113"	"6-Acetyl-5-(O-ethyl-2?-diethylamino)-2-methyl-benzofuran..."	"CCN(CC)CCOc1cc2c(C(=O)OC)c(C)oc2cc1C(=O)C"	0	""	""	1	1	24204525	""
"732114"	"732114"	"5-Bromo-7-(O-ethyl-2?-diethylamino)-6-methoxy-benzofuran..."	"CCN(CC)CCOc1c(OC)c(Br)cc2c(C)c(oc12)C(=O)OC"	0	""	""	1	1	24204526	""
"732122"	"732122"	"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-al..."	"COc1ccc(cc1)\C(=C/C=C(C#N)C#N)\Sc2nc3ccccc3s2"	0	""	""	1	1	5715272	""
"732175"	"732175"	"2-[(E)-(6-Thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cccs3"	0	""	""	1	1	24204543	""
"732176"	"732176"	"2-[(E)-(6-Thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3ccsc3"	0	""	""	1	1	24204545	""
"732177"	"732177"	"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2SCCn12)c3cc(Cl)sc3Cl"	0	""	""	1	1	24204547	""
"732178"	"732178"	"2-[(E)-(2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3cccs3"	0	""	""	1	1	24204549	""
"732179"	"732179"	"2-[(E)-(2-Methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride"	"Cc1cn2c(\C=N\NC(=N)N)c(nc2s1)c3ccsc3"	0	""	""	1	1	24204551	""
"732181"	"732181"	"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2sccn12)c3cc(Cl)sc3Cl"	0	""	""	1	1	24204555	""
"732183"	"732183"	"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\NC4=NCCN4)[N+](=O)[O-]"	0	""	""	2	2	24204559	""
"732185"	"732185"	"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\Nc4ccccn4)[N+](=O)[O-]"	0	""	""	1	1	24204563	""
"732187"	"732187"	"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cccc(Cl)c34)c(Cl)n(C)c2cc1C"	0	""	""	1	1	16735298	""
"732188"	"732188"	"2-[(Z)-(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride"	"COc1cc2c(\C=N/NC(=N)N)c(Cl)[nH]c2cc1C"	0	""	""	1	1	135585534	""
"732191"	"732191"	"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C/3\C(=O)Nc4ccccc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	24204572	""
"732192"	"732192"	"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccccc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	24204573	""
"732197"	"732197"	"2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cn3CCSc3n2"	0	""	""	1	1	10585764	""
"732200"	"732200"	"4-(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)phenol"	"Oc1ccc(cc1)c2cn3cc(Cl)sc3n2"	0	""	""	1	1	472921	""
"732205"	"732205"	"2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol"	"Oc1ccc(O)c(c1)c2cn3ccsc3n2"	0	""	""	1	1	10775929	""
"732217"	"732217"	"1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol"	"CCCCCCCCCCCCC(O)c1oc(cc1)C#CCCCCCCCCCO"	0	""	""	1	1	17754962	""
"732226"	"732226"	"1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl..."	"CN(CCCCCl)P(=O)(OCC1OC(C(O)C1O)n2cnc(C(=O)N)c2C#C)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	24204578	""
"732248"	"732248"	"3-phenyl(imidazolidinil-1)methano"	"C(N1CCN(C1)c2ccccc2)N3CCN(C3)c4ccccc4"	0	""	""	1	1	6482345	""
"732250"	"732250"	"3-[4-methoxyphenyl(imidazolidinil-1)]methane"	"COc1ccc(cc1)N2CCN(CN3CCN(C3)c4ccc(OC)cc4)C2"	0	""	""	1	1	6482347	""
"732252"	"732252"	"4-{[2-Ethoxy-6-methyl-4-oxo-chroman-ylidenemethyl]-amino..."	"CCOC1Oc2ccc(C)cc2C(=O)/C/1=C\Nc3ccc(cc3)C(=O)N"	0	""	""	1	1	24204580	""
"732256"	"732256"	"Methoxybrassenin B 1-Methoxy-1H-indole-3-carboxylic acid..."	"COn1cc(C(=O)N=C(SC)SC)c2ccccc12"	0	""	""	1	1	15145690	"142449750"
"732277"	"732277"	"Methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate"	"COC(=O)c1cc2cc(oc2n1Cc3ccccc3)\C=C/4\SC(=S)N(N(C(=O)C)C(=O)C)C4=O"	0	""	""	1	1	24204592	""
"732287"	"732287"	"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N)C(F)(F)F"	0	""	""	1	1	24204601	""
"732298"	"732298"	"4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-3-hydroxy-, ..."	"OC1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12"	0	""	""	3	3	24204611	"255839362"
"732299"	"732299"	"(1R,2S,6R,7S)-5-Ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one"	"CCOC1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12"	0	""	""	2	1	24204612	""
"732317"	"732317"	"6,7-dichloro-2-methyl-3-(phenylthio)quinoxaline 1,4-dioxide"	"Cc1c(Sc2ccccc2)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]1[O-]"	0	""	""	1	1	10338132	""
"732327"	"732327"	"[6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid ..."	"Brc1ccc(cc1)c2cn3c(CC(=O)N\N=C\c4ccccc4)csc3n2"	0	""	""	1	1	16126511	""
"732329"	"732329"	"[6-(4-bromofenil)imidazo[2,1-b]tiyazol-3-il]asetik asid ..."	"Oc1ccc(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)cc1"	0	""	""	1	1	135540940	""
"732332"	"732332"	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"Clc1ccc(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)c(Cl)c1"	0	""	""	1	1	16126471	""
"732334"	"732334"	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"COc1ccc(OC)c(\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4)c1"	0	""	""	1	1	16126515	""
"732335"	"732335"	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-Yl]acetic acid..."	"Oc1ccccc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4"	0	""	""	1	1	135540939	""
"732336"	"732336"	"[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid..."	"Oc1ccc(Br)cc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Br)cc4"	0	""	""	1	1	135585540	""
"732390"	"732390"	"4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N2N=C3C(Cc4ccccc34)C2c5cccs5"	0	""	""	1	1	24204638	""
"732393"	"732393"	"1-Phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea"	"O=S(=O)(NC(=S)Nc1ccccc1)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6"	0	""	""	1	1	24204641	""
"732394"	"732394"	"N-[[4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide"	"O=C(NC(=S)NS(=O)(=O)c1ccc(cc1)N2N=C3C(Cc4ccccc34)C2c5cccs5)c6ccccc6"	0	""	""	1	1	24204642	""
"732401"	"732401"	"(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=S(=O)(\N=C/1\SC=C(N1c2ccccc2)c3ccccc3)c4ccc(cc4)N5N=C6C(Cc7ccccc67)C5c8cccs8"	0	""	""	1	1	24204649	""
"732402"	"732402"	"(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C1CS\C(=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)\N(C1)c7ccccc7"	0	""	""	1	1	24204650	""
"732404"	"732404"	"(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C(N1\C(=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)\SC=C1c7ccccc7)c8ccccc8"	0	""	""	1	1	24204652	""
"732405"	"732405"	"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"O=C(N1C(=O)CCS/C/1=N\S(=O)(=O)c2ccc(cc2)N3N=C4C(Cc5ccccc45)C3c6cccs6)c7ccccc7"	0	""	""	1	1	24204653	""
"732416"	"732416"	"4-(3-Thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc3c(Cc4ccccc34)c2c5cccs5"	0	""	""	1	1	24204664	""
"732417"	"732417"	"1-Phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	"O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)n3nc4c(Cc5ccccc45)c3c6cccs6"	0	""	""	1	1	24204665	""
"732423"	"732423"	"5-aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione"	"Cn1cc(CO)c2C(=O)C(=CC(=O)c12)N3CC3"	0	""	""	2	2	10105331	""
"732424"	"732424"	"23-(hydroxymethyl)-5-(2-methylaziridin-1-yl)-1-methylind..."	"CC1CN1C2=CC(=O)c3c(C2=O)c(CO)cn3C"	0	""	""	2	2	10610417	""
"732425"	"732425"	"Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate"	"CCOC(=O)n1cc(C(CC=C)NCc2ccccc2)c3ccccc13"	0	""	""	1	1	16721048	""
"732427"	"732427"	"Ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate"	"CCOC(=O)n1cc(C(CC=C)N[C@H](CO)c2ccccc2)c3ccccc13"	0	""	""	1	1	24204667	""
"732429"	"732429"	"(2S)-2-[1-[1-(4-Methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(CC=C)N[C@H](CO)c3ccccc3)c4ccccc24"	0	""	""	1	1	24204669	""
"732430"	"732430"	"5[2-(3,4-Dimethoxyphenyl)ethyl]-9-hydroxy-5H-indeno[1,2-..."	"COc1ccc(CCn2c3c4ccccc4C(=O)c3c5c(O)cccc25)cc1OC"	0	""	""	2	1	24204670	""
"732490"	"732490"	"N-[2-(Dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide"	"CN(C)CCNC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24204686	""
"732491"	"732491"	"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide"	"OCCNCCNC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24204687	""
"732492"	"732492"	"4-(Furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide"	"O=C(NCCN1CCNCC1)c2ccc(Nc3nc4ccccc4c5occc35)cc2"	0	""	""	1	1	24204688	""
"732493"	"732493"	"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide"	"CCCCCC[C@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24204689	""
"732494"	"732494"	"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide"	"CCCCCC[C@@H](C)NC(=O)c1ccc(Nc2nc3ccccc3c4occc24)cc1"	0	""	""	1	1	24204690	""
"732495"	"732495"	"N-[(2S)-Octan-2-yl]furo[3,2-c]quinolin-4-amine"	"CCCCCC[C@H](C)Nc1nc2ccccc2c3occc13"	0	""	""	1	1	24204691	""
"732496"	"732496"	"N-[(2R)-Octan-2-yl]furo[3,2-c]quinolin-4-amine"	"CCCCCC[C@@H](C)Nc1nc2ccccc2c3occc13"	0	""	""	1	1	24204692	""
"732497"	"732497"	"indolizino[2,3-b]quinoxaline"	"c1ccc2nc3c(cc4ccccn34)nc2c1"	0	""	""	1	1	24204693	""
"732504"	"732504"	"3-(Dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide"	"CN(C)CCC(=O)NCc1c2nc3ccccc3nc2n4ccccc14"	0	""	""	1	1	24204700	""
"732507"	"732507"	"6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"COc1cccc(c1)\N=C/C2=C3Oc4ccccc4N3C(=O)c5ccccc25"	0	""	""	1	1	24204703	""
"732508"	"732508"	"6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one"	"CC(O)c1cccc(NCC2=C3Oc4ccccc4N3C(=O)c5ccccc25)c1"	0	""	""	1	1	24204704	""
"732517"	"732517"	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	"BCR-ABL|PK:YK,PDGFR,KIT"	"FDA approved"	6	6	NA	"863127779"
"732534"	"732534"	"Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]..."	"CC1(C)OB(OC1(C)C)c2ccc(cc2)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C"	0	""	""	2	2	60147484	""
"732545"	"732545"	"(E)-4-(4-Chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one"	"FC(F)(F)C(=O)\C=C\N(CC(=O)c1ccccc1)c2ccc(Cl)cc2"	0	""	""	1	1	24204717	""
"732549"	"732549"	"4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid"	"OC(=O)c1ccc(cc1)N(Cc2ccc(Cl)cc2)\C=C\C(=O)C(F)(F)F"	0	""	""	1	1	24204721	""
"732562"	"732562"	"3-(5-Amino -[1, 3, 4] Thiadiazole - 2-yl Methyl) -6-Brom..."	"Nc1nnc(CN2C(=O)c3cc(Br)ccc3N=C2c4ccccc4)s1"	0	""	""	1	1	24204727	""
"732563"	"732563"	"4-Amino - 7 - (2,5- dichloro-phenyl)-5(4'-methoxy phenyl..."	"COc1ccc(cc1)c2cc(nc3NC(=S)N=C(N)c23)c4cc(Cl)ccc4Cl"	0	""	""	1	1	24204728	""
"732566"	"732566"	"2-(2,4-dichloro - 5- fluoro - phenyl ) - 7 - (2,5 - dich..."	"COc1ccc(cc1)c2cc(nc3NC(=CC(=O)c23)c4cc(F)c(Cl)cc4Cl)c5cc(Cl)ccc5Cl"	0	""	""	1	1	24204731	""
"732567"	"732567"	"6,8-Dibromo-2-methyl-3-[5?-amino6?(2?,3??-dichlorophenyl..."	"CC1=Nc2c(Br)cc(Br)cc2C(=O)N1c3nnc(c(N)n3)c4cccc(Cl)c4Cl"	0	""	""	1	1	24204732	""
"732568"	"732568"	"6,8-Dibromo-2-phenyl-3-[5?-amino6?(2??,3??-dichloropheny..."	"Nc1nc(nnc1c2cccc(Cl)c2Cl)N3C(=O)c4cc(Br)cc(Br)c4N=C3c5ccccc5"	0	""	""	1	1	24204733	""
"732632"	"732632"	"(3-Thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-..."	"S=C1SN=C2N(CC#N)CCN12"	0	""	""	1	1	24204736	""
"732659"	"732659"	"6-(3-Chloropropyl)-5,6-dihydro-2,3-dimethyoxy-5,11-dioxo..."	"COc1cc2C(=O)N(CCCCl)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	1	1	17755315	""
"732660"	"732660"	"9-Bromo-6-(3-Chloropropyl)-5,6-dihydro -5,11-dioxo-11H-i..."	"ClCCCN1C(=O)c2ccccc2C3=C1c4ccc(Br)cc4C3=O"	0	""	""	1	1	45027881	""
"732661"	"732661"	"6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2..."	"ClCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	45027882	""
"732662"	"732662"	"6-(3-Chloropropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-d..."	"ClCCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	1	1	45027883	""
"732693"	"732693"	"3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihy..."	"ClC1=C(Nc2cccc(Cl)c2)C(=O)N(Cc3ccccc3Cl)C1=O"	0	""	""	1	1	1179892	""
"732694"	"732694"	"3-chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)..."	"FC(F)(F)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3Cl)C2=O)c1"	0	""	""	2	2	1179893	""
"732695"	"732695"	"3-chloro-4-(3-hydroxyanilino)-1-(2,4,5-trichlorophenyl)-..."	"Oc1cccc(NC2=C(Cl)C(=O)N(C2=O)c3cc(Cl)c(Cl)cc3Cl)c1"	0	""	""	1	1	1179894	""
"732697"	"732697"	"3,5-dichloro-1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-d..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)N(Cc4ccc(Cl)cc4Cl)C1=O"	0	""	""	1	1	1640162	""
"732698"	"732698"	"1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-dioxo-2,5-dihy..."	"FC(F)(F)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)c1"	0	""	""	1	1	1640172	""
"732699"	"732699"	"1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-dioxo-2,5-dihy..."	"Oc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)c1"	0	""	""	2	2	1179913	""
"732730"	"732730"	"1-Cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea"	"O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)n3nc4c(Cc5ccccc45)c3c6cccs6"	0	""	""	1	1	24204749	""
"732732"	"732732"	"4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2nc3c(Cc4ccccc34)c2c5ccc(Cl)cc5"	0	""	""	1	1	24204751	""
"732734"	"732734"	"1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	"Clc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	16046109	""
"732736"	"732736"	"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Clc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	24204754	""
"732737"	"732737"	"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea"	"Clc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	24204755	""
"732738"	"732738"	"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide"	"Clc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)\N=C\6/SCC(=O)N6c7ccccc7"	0	""	""	1	1	24204756	""
"732741"	"732741"	"1-[4-[3-(4-Methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Cc1ccc(cc1)C2C3Cc4ccccc4C3=NN2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	24204759	""
"732750"	"732750"	"4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)N"	0	""	""	1	1	24204768	""
"732751"	"732751"	"1-[4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)Nc6ccccc6"	0	""	""	1	1	24204769	""
"732752"	"732752"	"1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea"	"Cc1ccc(cc1)c2c3Cc4ccccc4c3nn2c5ccc(cc5)S(=O)(=O)NC(=O)NC6CCCCC6"	0	""	""	1	1	24204770	""
"732786"	"732786"	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2,..."	"COc1cccc(c1)N2CC(=O)C(=C2N)c3nc4ccccc4s3"	0	""	""	2	2	135444827	""
"732787"	"732787"	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethoxyphenyl..."	"COc1ccc(OC)c(c1)N2CC(=O)C(=C2N)c3nc4ccccc4s3"	0	""	""	1	1	135459277	""
"732793"	"732793"	"3-chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-di..."	"COc1ccc(CN2C(=O)C(=C(Nc3cccc(O)c3)C2=O)Cl)cc1"	0	""	""	1	1	1179896	""
"732796"	"732796"	"3-chloro-1-(2,4-dichlorobenzyl)-4-(3-hydroxyanilino)-2,5..."	"Oc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1"	0	""	""	1	1	1179901	""
"732800"	"732800"	"methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-diox..."	"COC(=O)c1ccc(CN2C(=O)C(=C(Nc3cccc(Cl)c3C)C2=O)Cl)cc1"	0	""	""	1	1	1179905	""
"732805"	"732805"	"(-)-Apogossypol Hexaacetate"	"CC(C)c1c(OC(=O)C)c(OC(=O)C)cc2c(OC(=O)C)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(OC(=O)C)c(OC(=O)C)cc4c3OC(=O)C"	0	NA	NA	2	1	NA	""
"732807"	"732807"	"hydrochloride 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidi..."	"Cc1ccc(cc1)c2csc3ncnc(Nc4cccc(O)c4)c23"	0	""	""	1	1	18590612	""
"732820"	"732820"	"N1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1194861	""
"732821"	"732821"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3ccccc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1194862	""
"732822"	"732822"	"N1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-di..."	"FC(F)(F)c1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	1194866	""
"732824"	"732824"	"ethyl 4-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3..."	"CCOC(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1"	0	""	""	1	1	1194875	""
"732825"	"732825"	"N1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-..."	"COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	1194933	""
"732826"	"732826"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"COc1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	1194947	""
"732827"	"732827"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"COc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c(OC)c1"	0	""	""	1	1	1194951	""
"732828"	"732828"	"N1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1194955	""
"732829"	"732829"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccc(Cl)cc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574705	""
"732830"	"732830"	"N1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"Fc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	1194957	""
"732832"	"732832"	"1-{2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-py..."	"COc1ccc(CCNC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1OC"	0	""	""	1	1	1194992	""
"732833"	"732833"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1ccc(Cl)c(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	1574715	""
"732834"	"732834"	"3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1..."	"CC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	1178251	""
"732836"	"732836"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	1574727	""
"732837"	"732837"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1cc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)ccc1Cl"	0	""	""	1	1	1574730	""
"732838"	"732838"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCc3ccc(Cl)cc3Cl)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1574733	""
"732839"	"732839"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"Cc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1Cl"	0	""	""	1	1	1194942	""
"732841"	"732841"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	1194958	""
"732842"	"732842"	"methyl 3-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-..."	"COC(=O)c1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1"	0	""	""	1	1	1194961	""
"732843"	"732843"	"methyl 4-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-..."	"COC(=O)c1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1"	0	""	""	1	1	1194965	""
"732844"	"732844"	"1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"Fc1ccccc1NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2"	0	""	""	1	1	1194968	""
"732845"	"732845"	"2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCC3CCCO3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	3317510	""
"732847"	"732847"	"N1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d..."	"ClC1=C(Nc2cccc(c2)C(=O)Nc3ccc(Cl)cc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	1194863	""
"732848"	"732848"	"2-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2cccc(c2)C(=O)NCc3occc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	16252025	""
"732849"	"732849"	"N1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,..."	"NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1"	0	""	""	1	1	1194898	""
"732850"	"732850"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"Oc1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	1194899	""
"732851"	"732851"	"1-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"FC(F)(F)c1ccc(Cl)c(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)c1"	0	""	""	1	1	1574661	""
"732853"	"732853"	"2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro..."	"ClC1=C(Nc2ccc(cc2)C(=O)NCc3occc3)C(=O)N(Cc4ccccc4)C1=O"	0	""	""	1	1	7897249	""
"732859"	"732859"	"2-chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid..."	"Clc1ccccc1S(=O)(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3)c4ccccc4"	0	""	""	1	1	24204776	""
"732882"	"732882"	"3-(3,4-dichlorobenzyl)-6-phenyl-3,4-dihydrothieno[2,3-d]..."	"Clc1ccc(CN2C=Nc3sc(cc3C2=O)c4ccccc4)cc1Cl"	0	""	""	1	1	1191810	""
"732884"	"732884"	"ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno..."	"CCOC(=O)c1sc2N=CN(Cc3cccc(Br)c3)C(=O)c2c1C"	0	""	""	1	1	2792859	""
"732897"	"732897"	"3-(3,4-dichlorobenzyl)-5,6-dimethyl-3,4-dihydrothieno[2,..."	"Cc1sc2N=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1C"	0	""	""	1	1	2077565	""
"732903"	"732903"	"N6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrot..."	"Cc1c(sc2N=CN(Cc3cccc(Cl)c3)C(=O)c12)C(=O)Nc4ccccc4"	0	""	""	1	1	1191776	""
"732917"	"732917"	"Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate"	"CCOP(=O)(OCC)C(NC(c1ccccc1)c2ccccc2)c3ccccc3"	0	""	""	1	1	12753798	""
"732936"	"732936"	"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-2,3-methylenedi..."	"CN(C)CCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	2	2	44409873	""
"732937"	"732937"	"6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	1	1	17755408	""
"732938"	"732938"	"6-(3-Azidopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di..."	"[N-]=[N+]=NCCCN1C(=O)c2cc3OCOc3cc2C4=C1c5ccccc5C4=O"	0	""	""	1	1	45027884	""
"732949"	"732949"	"Dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate"	"COC(=O)[C@H]1CC(CC(=O)C([C@@H]2O[C@](C)(C[C@@H]3OC(=O)[C@]14O[C@@H]34)CC2=O)C(=O)OC)C(=C)C=O"	0	""	""	1	1	54612712	""
"732950"	"732950"	"(4E,8E,11E,13R,15R)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde"	"C\C\1=C/C\C=C(/C)\[C@H]2CC(CC\C(=C\CC1)\C)[C@@](C)(O2)C=O"	0	""	""	1	1	24204792	""
"732954"	"732954"	"(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC\C(=C\CC1)\C)C(=C)C(=O)O2"	0	""	""	1	1	24204797	""
"732962"	"732962"	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-trifluor..."	"NC1=C(C(=O)CN1c2cc(ccc2Cl)C(F)(F)F)c3nc4ccccc4s3"	0	""	""	1	1	135438224	""
"732964"	"732964"	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoroph..."	"NC1=C(C(=O)CN1c2ccc(F)c(Cl)c2)c3nc4ccccc4s3"	0	""	""	1	1	135504535	""
"732966"	"732966"	"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)..."	"NC1=C(C(=O)CN1c2ccc(Cl)cc2Cl)c3nc4ccccc4s3"	0	""	""	1	1	135417075	""
"732974"	"732974"	"N1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanil..."	"COc1ccc(NC(=O)CSC2=C(Nc3cccc(Br)c3)C(=O)N(Cc4ccccc4)C2=O)cc1Cl"	0	""	""	1	1	1179944	""
"732980"	"732980"	"9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2CCCc5ccccc5"	0	""	""	1	1	24204800	""
"732990"	"732990"	"diethyl 2,3-dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran..."	"CCOC(=O)C1=C(C(=O)OCC)c2sc(C(=O)c3ccccc3)c(C(=O)c4ccccc4)c2C(=S)S1"	0	""	""	1	1	11376086	""
"732995"	"732995"	"2-[2-ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-t..."	"CCN(Cc1nc2cc(ccc2nc1c3ccccc3)C(F)(F)F)c4ccc(OC)c(OC)c4"	0	""	""	1	1	24204808	""
"733008"	"733008"	"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2c(Cl)cccc2Cl)c(C#N)c(n1)N3CCOCC3"	0	""	""	1	1	24204821	""
"733011"	"733011"	"2-Amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2ccc(Cl)cc2Cl)c(C#N)c(n1)N3CCCC3"	0	""	""	1	1	24204824	""
"733012"	"733012"	"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile"	"Nc1nc(N\N=C\c2c(Cl)cccc2Cl)c(C#N)c(n1)N3CCCC3"	0	""	""	1	1	11509076	""
"733134"	"733134"	"AR-685/40364930"	"Clc1ccc(C(=O)\C=C\c2cccs2)c(Cl)c1"	0	""	""	1	1	8858308	""
"733142"	"733142"	"AR-685/43307781"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3cccc(OC)c3OC"	0	""	""	1	1	8108844	""
"733143"	"733143"	"(E)-3-(2,4-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(ccc2c1)C(=O)\C=C\c3ccc(Cl)cc3Cl"	0	""	""	1	1	7947301	""
"733145"	"733145"	"AR-685/43306289"	"CSc1ccc(cc1)C(=O)\C=C\c2ccccc2Cl"	0	""	""	1	1	11842511	""
"733149"	"733149"	"AR-685/43306228"	"COc1cc(\C=C\C(=O)c2ccc(SC)cc2)cc(OC)c1OC"	0	""	""	1	1	16044723	""
"733153"	"733153"	"AR-685/43306239"	"COc1ccc(\C=C\C(=O)c2ccc(SC)cc2)cc1OC"	0	""	""	1	1	11842505	""
"733154"	"733154"	"AR-685/43362993"	"COc1ccc(OC)c(\C=C\C(=O)c2ccc(SC)cc2)c1"	0	""	""	1	1	11842566	""
"733164"	"733164"	"(5Z)-5-[(2-Chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one"	"Clc1ccccc1\C=C\2/N=C(N(Cc3occc3)C2=O)c4ccccc4"	0	""	""	1	1	24204861	""
"733252"	"733252"	"J3.566.338J"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCc4[nH]c5ccc(F)cc5c4C3"	0	"HDAC"	""	1	1	11619074	""
"733253"	"733253"	"N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide"	"Nc1ccccc1NC(=O)CCc2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	11675955	""
"733254"	"733254"	"(E)-N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide"	"Nc1ccccc1NC(=O)\C=C\c2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	11582279	""
"733255"	"733255"	"N-(2-Aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CNC(=O)c3ccccc3"	0	"HDAC"	""	1	1	11494465	""
"733301"	"733301"	"(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N\O)\c1ccc(Nc2cc(c3ccccc3n2)n4ccnc4)cc1"	0	""	""	1	1	24204871	""
"733303"	"733303"	"(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2cc(c3ccccc3n2)n4ccnc4)c1"	0	""	""	1	1	24204873	""
"733304"	"733304"	"(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine"	"C\C(=N/O)\c1cccc(Nc2cc(c3ccccc3n2)n4ccnn4)c1"	0	""	""	1	1	24204874	""
"733340"	"733340"	"3-Benzoyloxy-1-hydroxy-2,4,8,9-tetrakis(methoxycarbonyl)..."	"COC(=O)[C@H]1C2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccccc3)c4ccccc4OC"	0	""	""	1	1	24204886	""
"733345"	"733345"	"3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,4,..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccc(Cl)cc3)c4ccccc4Cl"	0	""	""	1	1	24204891	""
"733346"	"733346"	"7-(2-trifluoromethylphenyl)-1,3-dihydroxy-2,4,8,9-tetrak..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)O)c3ccccc3C(F)(F)F"	0	""	""	1	1	54706361	""
"733348"	"733348"	"3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hyd..."	"COC(=O)[C@H]1[C@H]2CC([C@H](C(=O)OC)[C@]1(O)C(C(=O)OC)C(=C2C(=O)OC)OC(=O)c3ccc(Cl)cc3)c4ccccc4C(F)(F)F"	0	""	""	1	1	24204894	""
"733396"	"733396"	"1-alpha-methyl-8-methoxy-5-bromo-6,7,-methylenedioxy-1-(..."	"COc1ccc2[C@H](OCc2c1OC)[C@@H]3N(C)CCc4c(Br)c5OCOc5c(OC)c34"	0	""	""	1	1	10050740	""
"733397"	"733397"	"1-alpha-methyl-8-methoxy-5-bromo-6,7,-methylenedioxy-1-(..."	"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4c(Br)c5OCOc5c(OC)c34"	0	""	""	1	1	10255081	""
"733411"	"733411"	"3-[2-[5-(p-metoksifenil)-1,3,4-oksadiazol-2-il]imino-4-t..."	"COc1ccc(cc1)c2oc(\N=C/3\NC(=O)\C(=C/4\C(=O)Nc5ccc(OC(F)(F)F)cc45)\S3)nn2"	0	""	""	1	1	135414497	""
"733436"	"733436"	"5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2cncn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	3	2	11290749	""
"733464"	"733464"	"4-[[2-(4-Fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)N(CC(=O)c2ccc(F)cc2)\C=C\C(=O)C(F)(F)F"	0	""	""	1	1	24204925	""
"733465"	"733465"	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate"	"FC(F)(F)c1cc(Nc2ncccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	1	1	11617441	""
"733467"	"733467"	"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate"	"FC(F)(F)c1cc(Nc2ncccc2C(=O)Oc3ccccc3Cl)ccn1"	0	""	""	1	1	11639785	""
"733472"	"733472"	"(E)-4-(4-Chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	"Fc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c2ccc(Cl)cc2"	0	""	""	1	1	24204927	""
"733476"	"733476"	"(E)-4-(4-Chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one"	"FC(F)(F)C(=O)\C=C\N(CC(=O)c1ccc(Cl)cc1)c2ccc(Cl)cc2"	0	""	""	1	1	24204931	""
"733480"	"733480"	"(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one"	"Fc1ccc(cc1)C(=O)CN(\C=C\C(=O)C(F)(F)F)c2ccccc2"	0	""	""	1	1	24204935	""
"733501"	"733501"	"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	2	2	17755622	""
"733502"	"733502"	"cis-6-(3-Bromopropyl)-12,13-dihydro-8,9,10-trimethoxy-3-..."	"COc1cc2[C@@H]3[C@H](C(=O)c2c(OC)c1OC)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	16098814	""
"733503"	"733503"	"cis-6-(3-Bromopropyl)-12,13-dihydro-8,9-dimethoxy-3-nitr..."	"COc1cc2[C@@H]3[C@H](C(=O)c2cc1OC)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	2	2	16098831	""
"733504"	"733504"	"Everolimus"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO"	0	"PK:STK,MTOR"	"FDA approved"	2	2	NA	"159351696"
"733608"	"733608"	"Microcystin LR"	"CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(=O)O)C(=O)O"	0	""	""	1	1	445434	"101043372"
"733624"	"733624"	"Frondoside A"	"COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)C(COC4O[C@H]5CC[C@]6(C)[C@@H]7CCC89[C@H]([C@H](C[C@@]8(C)C7=CCC6C5(C)C)OC(=O)C)[C@](C)(CCCC(C)C)OC9=O)OS(=O)(=O)O)C(OC%10OCC(O)C(O)C%10O)C3O)C2O)C1O"	0	""	""	2	1	54611458	""
"733625"	"733625"	"Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl]pro..."	"C[C@]12C[C@H](CCCCCCNCCOC(=O)NCCCc3ccc(cc3)N(CCCl)CCCl)C4=C5CCC(=O)C=C5CCC4C1CC[C@@H]2O"	0	""	""	2	2	11274076	"865070377"
"733632"	"733632"	"(4S,6R,7S,9E)-6,16-Dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one"	"COc1ccc(C[C@H]2C[C@@H](O)[C@@H](C)C\C=C\Cc3cccc(O)c3C(=O)O2)cn1"	0	""	""	1	1	24204949	""
"733653"	"733653"	"6-(3-Azidopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	16098806	""
"733654"	"733654"	"6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-di..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)[N+](=O)[O-]"	0	""	""	2	2	16098804	""
"733670"	"733670"	"(hydroxymethoxy)N-methylpyrrolopyrrolizinones"	"COc1ccc(cc1O)c2cn(C)c3C(=O)c4cccn4c23"	0	""	""	1	1	16061747	""
"733691"	"733691"	"2-[(Z)-6-(2-Fluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccccc2F"	0	""	""	1	1	24204954	""
"733692"	"733692"	"2-[(Z)-6-(2,4-Difluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(F)cc2F"	0	""	""	1	1	24204955	""
"733693"	"733693"	"2-[(Z)-6-(2,4-Dichlorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2ccc(Cl)cc2Cl"	0	""	""	1	1	24204956	""
"733717"	"733717"	"5-Methylamino-2,2-diphenyl-6H-[1,3]dithiine-4-carboxylic..."	"CNC1=C(SC(SC1)(c2ccccc2)c3ccccc3)C(=O)OC"	0	""	""	1	1	15161940	"139101761"
"733752"	"733752"	"[(5R,9E,14S,15R,15Ar)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate"	"C[C@H]1CCC\C(=C\CCC(=C)[C@H](O)CC2[C@@H](OC(=O)C2=C)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	24204960	""
"733753"	"733753"	"[(5R,6E,9E,14S,15R,15Ar)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate"	"C[C@H]1CCC\C(=C\C\C=C(/C)\[C@H](O)CC2[C@@H](OC(=O)C2=C)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	24204961	""
"733755"	"733755"	"Methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate"	"COC(=O)C(=C)[C@@H]1C[C@@H](O)[C@]2(C)CC\C=C(/C)\CCC[C@H](C)[C@H](O)C1O2"	0	""	""	1	1	24204963	""
"733756"	"733756"	"[(3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2CC3[C@@H](OC(=O)C34CC4)[C@@H]1OC(=O)C)\C"	0	""	""	1	1	24204964	""
"733758"	"733758"	"(1S,2E,10E,14R)-3-(Hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol"	"CC(=C)[C@H]1CC\C(=C\CCC(=C)C(O)CC\C(=C/[C@@H]1O)\CO)\C"	0	""	""	1	1	24204966	""
"733759"	"733759"	"(4E,6S,7R,10E)-6-Hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one"	"CC1CC\C=C(/C)\CC[C@@H]([C@@H](O)\C=C(\CO)/CCC1=O)C(=C)C"	0	""	""	1	1	24204967	""
"733760"	"733760"	"[4-Acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OCC(OC(=O)C)C(OC(=O)C)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	24204968	""
"733795"	"733795"	"3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,3,5(10),16-tet..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC(=C4c5occc5)C=O)[C@@H]3CCc2c1"	0	""	""	1	1	24204972	""
"733880"	"733880"	"6-(3-Bromopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11..."	"COc1ccc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c1OC"	0	""	""	1	1	16098823	""
"733881"	"733881"	"6-(3-Bromopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	16098822	""
"733882"	"733882"	"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	2	2	16098807	""
"733883"	"733883"	"6-(3-Chloropropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-di..."	"COc1cccc2C(=O)C3=C(N(CCCCl)C(=O)c4cc(ccc34)[N+](=O)[O-])c12"	0	""	""	1	1	16098805	""
"733884"	"733884"	"6-(3-Aminopropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	16098829	""
"733885"	"733885"	"Arylpurine derivatives"	"ClCc1cccc(Cn2cnc3c(Cl)ncnc23)c1"	0	""	""	1	1	24204973	""
"733886"	"733886"	"Arylpurine derivatives"	"ClCc1cccc(Cn2cnc3ncnc(Cl)c23)c1"	0	""	""	1	1	24204974	""
"733888"	"733888"	"Arylpurine derivatives"	"ClCc1ccccc1Cn2cnc3c(Cl)ncnc23"	0	""	""	1	1	24204975	""
"733891"	"733891"	"arypurine derivatives"	"ClCc1ccccc1Cn2cnc3c(Cl)nc(Cl)nc23"	0	""	""	2	2	16220246	""
"733892"	"733892"	"arylpurine derivatives"	"ClCc1ccccc1Cn2cnc3nc(Cl)nc(Cl)c23"	0	""	""	2	2	24204977	""
"733893"	"733893"	"Bis-arylpurine derivatives"	"Clc1nc(Cl)c2ncn(Cc3ccccc3Cn4cnc5c(Cl)nc(Cl)nc45)c2n1"	0	""	""	2	2	16126516	""
"733901"	"733901"	"(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"COc1cccc(OC(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F)c1"	0	""	""	1	1	24204985	""
"733906"	"733906"	"(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)Oc3ccc(Cl)cc3)C(F)(F)F"	0	""	""	1	1	24204990	""
"733909"	"733909"	"(2-Chlorophenyl) 2-[3-(trifluoromethyl)anilino]benzoate"	"FC(F)(F)c1cccc(Nc2ccccc2C(=O)Oc3ccccc3Cl)c1"	0	""	""	1	1	11538385	""
"733975"	"733975"	"(1S,9E,13R,14R)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol"	"C\C\1=C/CC[C@@](C)(O)[C@H]2C[C@H](CCC3(C)OC3CC1)C(=C)CO2"	0	""	""	2	2	24205017	""
"733981"	"733981"	"gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deo..."	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(CC2O)N3C=C(F)C(=O)NC3=O"	0	""	""	2	2	24205019	""
"734002"	"734002"	"N-(2-Benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride"	"C(CSCc1ccccc1)NCCN(CCNCCSCc2ccccc2)CCNCCSCc3ccccc3"	0	""	""	1	1	24205027	""
"734036"	"734036"	"6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,1,-dioxo-3..."	"Clc1ccc(cc1)S(=O)(=O)N2\C(=N\c3ccccc3)\Sc4cc(Cl)c(cc4S2(=O)=O)C#N"	0	""	""	1	1	24205032	""
"734037"	"734037"	"2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,1-dioxo..."	"Clc1cc2S\C(=N/c3ccccc3)\N(S(=O)(=O)c4ccc(Br)s4)S(=O)(=O)c2cc1C#N"	0	""	""	1	1	24205033	""
"734039"	"734039"	"Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,1-dioxo-3..."	"CCOC(=O)c1cc2c(S\C(=N/c3ccccc3)\N(S(=O)(=O)c4ccc(Br)s4)S2(=O)=O)cc1Cl"	0	""	""	1	1	24205035	""
"734046"	"734046"	"2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzen..."	"OC1=NS(=O)(=O)N(C(=N1)O)S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S"	0	""	""	1	1	23624974	""
"734054"	"734054"	"2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3..."	"Fc1ccc(NC(=O)c2cc(c(SCc3ccccc3)cc2Cl)S(=O)(=O)Nc4oc5ccccc5n4)cc1"	0	""	""	1	1	16092411	""
"734055"	"734055"	"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)ben..."	"Clc1cc(SCc2ccccc2)c(cc1C#N)S(=O)(=O)Nc3oc4ccccc4n3"	0	""	""	1	1	16092415	""
"734057"	"734057"	"1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcar..."	"NC(=O)CSc1cc(Cl)c(cc1S(=O)(=O)\N=C(\NCC=C)/N\N=C\c2oc(cc2)[N+](=O)[O-])C(=O)Nc3ccccc3"	0	""	""	1	1	23583768	""
"734059"	"734059"	"1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benz..."	"Oc1ccccc1NC(=N)NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(Cl)cc2SCc4ccccc4"	0	""	""	1	1	24205038	""
"734076"	"734076"	"MP 122-123 oC STOR DRI"	"ClCc1cccc(Cn2cnc3c(Cl)nc(Cl)nc23)c1"	0	""	""	1	1	24205044	""
"734077"	"734077"	"Arylpurine analogues"	"ClCc1cccc(Cn2cnc3nc(Cl)nc(Cl)c23)c1"	0	""	""	2	2	24205045	""
"734100"	"734100"	"3,3'-di(5,5'-difluoroindolyl)methane"	"Fc1ccc2[nH]cc(Cc3c[nH]c4ccc(F)cc34)c2c1"	0	""	""	1	1	9882204	""
"734102"	"734102"	"1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride"	"NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	24205052	""
"734129"	"734129"	"6-(2',5'-dichloro-phenyl)-4(4'-methoxy-phenyl)-1H-pyrazo..."	"COc1ccc(cc1)c2cc(nc3[nH]nc(N)c23)c4cc(Cl)ccc4Cl"	0	""	""	1	1	24205054	""
"734132"	"734132"	"Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 2,..."	"CCOC(=O)C1=C(C)N(N)C(=S)NC1c2ccc(C)cc2"	0	""	""	1	1	24205057	""
"734133"	"734133"	"6-(2',5'-dichloro-phenyl)-4(4'-flouro-phenyl) - 1H -pyra..."	"Nc1n[nH]c2nc(cc(c3ccc(F)cc3)c12)c4cc(Cl)ccc4Cl"	0	""	""	1	1	24205058	""
"734135"	"734135"	"4-Amino-7(4'-hydroxy-phenyl)-5-(4"	"COc1ccc(cc1)c2cc(nc3NC(=S)N=C(N)c23)c4ccc(O)cc4"	0	""	""	1	1	135580405	""
"734141"	"734141"	"6-(3-Aminopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	2	2	16098827	""
"734148"	"734148"	"2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod..."	"Clc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205066	""
"734149"	"734149"	"2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbo..."	"COc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205067	""
"734175"	"734175"	"Experimental drug: 30 ml cytotoxic Se(O)-protein conjuga..."	""	0	NA	NA	1	1	NA	""
"734177"	"734177"	"Control 2: 30 ml of RPMI-1640 medium = 5% fetal bovine s..."	""	0	NA	NA	1	1	NA	""
"734179"	"734179"	"2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride"	"NC(=N)N\N=C\c1c(nc2ccccn12)c3ccc(Cl)c(c3)[N+](=O)[O-]"	0	""	""	2	2	24205073	""
"734184"	"734184"	"1,3-Bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride"	"COc1cc(c(OC)cc1c2nc3sc(Cl)cn3c2\C=N\NC(=N)N\N=C\c4c(nc5sc(Cl)cn45)c6cc(OC)c(cc6OC)[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	135580407	""
"734185"	"734185"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(Cl)[nH]c2cc1C"	0	""	""	2	2	16735296	""
"734186"	"734186"	"(3Z)-5-Hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C\3/C(=O)N(C)c4ccc(O)cc34)c[nH]c2cc1C"	0	""	""	1	1	24205079	""
"734187"	"734187"	"(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one"	"COc1cc2c(\C=C\3/C(=O)N(C)c4ccccc34)c[nH]c2cc1C"	0	""	""	2	2	24205080	""
"734194"	"734194"	"note for the structure: it's a N-oxide derivative"	"COc1ccc2NC(=O)\C(=C/c3cc[n+]([O-])cc3)\c2c1"	0	""	""	2	1	14952715	""
"734197"	"734197"	"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(Cl)n(Cc5ccccc5)c2cc1C"	0	""	""	1	1	16737377	""
"734201"	"734201"	"(3E)-5-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(Cl)n(Cc5ccc(Cl)cc5)c2cc1C"	0	""	""	1	1	16738493	""
"734207"	"734207"	"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4cc(C)c(O)cc34)c(Cl)n(C)c2cc1C"	0	""	""	2	2	16738491	""
"734208"	"734208"	"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one"	"CCN1C(=O)\C(=C\c2c(Cl)[nH]c3cc(C)c(OC)cc23)\c4ccccc14"	0	""	""	1	1	24205083	""
"734218"	"734218"	"6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde"	"Oc1ccc(O)c(c1)c2nc3sccn3c2C=O"	0	""	""	1	1	11436870	""
"734219"	"734219"	"4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol"	"Oc1cc(c2cn3ccsc3n2)c(cc1O)[N+](=O)[O-]"	0	""	""	1	1	24205086	""
"734220"	"734220"	"4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol"	"Oc1ccc(cc1O)c2cn3ccsc3n2"	0	""	""	1	1	11368260	""
"734231"	"734231"	"2[4'aminobiphenyl]5,6dichlorobenzimidazole"	"Nc1ccc(cc1)c2ccc(cc2)c3nc4cc(Cl)c(Cl)cc4[nH]3"	0	""	""	2	2	24205088	""
"734235"	"734235"	"isoindolo[1,2-a]quinoxalin-4(5H)-one"	"O=C1Nc2ccccc2n3cc4ccccc4c13"	0	""	""	1	1	24205090	""
"734236"	"734236"	"6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one"	"Cc1cccc2c1NC(=O)c3c4ccccc4cn23"	0	""	""	1	1	24205091	""
"734237"	"734237"	"7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one"	"COc1ccc2c(NC(=O)c3c4ccccc4cn23)c1"	0	""	""	3	2	24205092	""
"734238"	"734238"	"7,8-dichloroisoindolo[1,2-a]quinoxalin-4(5H)one"	"Clc1cc2NC(=O)c3c4ccccc4cn3c2cc1Cl"	0	""	""	1	1	24205093	""
"734257"	"734257"	"1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,11,12,12a-tetrahydr..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN)c(O)ccc25"	0	""	""	1	1	24205100	""
"734278"	"734278"	"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide"	"Clc1ccc(NC(=O)CSc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	16079750	""
"734280"	"734280"	"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide"	"Clc1ccc(NC(=O)CS(=O)c2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	24205108	""
"734286"	"734286"	"Methyl 6,11-dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5H..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3C"	0	""	""	1	1	45027888	""
"734287"	"734287"	"6-(3-Aminopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	16098808	""
"734288"	"734288"	"6-(3-Azidopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11..."	"COc1ccc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2c1OC"	0	""	""	1	1	16098825	""
"734289"	"734289"	"6-(3-Azidopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(Br)cc4C3=O"	0	""	""	1	1	17755973	""
"734294"	"734294"	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccc(Br)cc4C3=O"	0	"TOP1"	""	2	2	17756600	""
"734295"	"734295"	"6-(3-Azidopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5..."	"COc1cc2C(=O)C3=C(N(CCCN=[N+]=[N-])C(=O)c4cc(ccc34)[N+](=O)[O-])c2c(OC)c1OC"	0	""	""	1	1	16098824	""
"734296"	"734296"	"6-(3-Bromopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11..."	"COc1cc2C(=O)C3=C(N(CCCBr)C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	16098803	""
"734303"	"734303"	"N-nonyl-3,4-dihydroxycinnamide"	"CCCCCCCCCNC(=O)\C=C\c1ccc(O)c(O)c1"	0	""	""	1	1	11551263	""
"734307"	"734307"	"3,4-Dihydroxy-N(3-O-methyl-estra-1,3,5(10)-trien-ol-17b-..."	"COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	11546817	""
"734325"	"734325"	"DMAPT"	"CN(C)C[C@H]1[C@@H]2CC\C(=C\CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O)\C"	0	"NFkB"	"Clinical trial"	1	1	NA	""
"734395"	"734395"	"2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile"	"Nc1nc(NCc2ccccc2)c(C#N)c(c3ccc(Cl)cc3Cl)c1C#N"	0	""	""	2	1	24205131	""
"734396"	"734396"	"2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile"	"Nc1nc(NCc2ccccc2)c(C#N)c(c3ccccc3Cl)c1C#N"	0	""	""	1	1	24205132	""
"734406"	"734406"	"2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	"Oc1cccc(c1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	1	1	11553772	""
"734407"	"734407"	"2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile"	"Oc1ccc(cc1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	1	1	135453114	""
"734409"	"734409"	"2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile"	"Clc1ccc(cc1)c2c(C#N)c(NCc3ccccc3)nc(NCc4ccccc4)c2C#N"	0	""	""	2	1	11503312	""
"734430"	"734430"	"5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxy..."	"OCC(O)CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O)OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	24205136	""
"734468"	"734468"	"nitrobenzooxepenearylmethylene (F)"	"[O-][N+](=O)c1ccc2OCC\C(=C/c3ccc(F)cc3)\C(=O)c2c1"	0	""	""	1	1	24205148	""
"734473"	"734473"	"(E)-3-(2,4-Dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one"	"CSc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2Cl"	0	""	""	1	1	19824717	""
"734479"	"734479"	"(5Z)-5-[(2,4-Dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride"	"Clc1ccc(\C=C\2/N=C(N(Cc3occc3)C2=O)c4ccccc4)c(Cl)c1"	0	""	""	1	1	24205160	""
"734482"	"734482"	"(E)-1-(2,4-Dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one"	"COc1ccc2cc(\C=C\C(=O)c3ccc(Cl)cc3Cl)ccc2c1"	0	""	""	1	1	24205165	""
"734502"	"734502"	"2-Benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide"	"Clc1cccc(\C=N\NC(=O)CSC(c2ccccc2)c3ccccc3)c1"	0	""	""	1	1	24205182	""
"734509"	"734509"	"2-Benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide"	"O=C(CSC(c1ccccc1)c2ccccc2)N\N=C\c3occc3"	0	""	""	3	1	24205189	""
"734529"	"734529"	"Trans-N-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexy..."	"COc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1OC"	0	""	""	1	1	24205195	""
"734561"	"734561"	"6-(3-chloropropyl)-6,11-dihydro-2,3-dimethoxy-5,11-dioxo..."	"COc1cc2C(=O)N(CCCCl)C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	17755317	""
"734562"	"734562"	"6-(3-Aminopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(Br)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	17755124	""
"734603"	"734603"	"1,5-bis(4-methoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2cncn2c3ccc(OC)cc3"	0	""	""	1	1	11265974	""
"734604"	"734604"	"1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole"	"FC(F)(F)c1ccc(cc1)c2cncn2c3ccccc3"	0	""	""	1	1	11162021	""
"734625"	"734625"	"6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(NCCN(C)C)nc4ccccc34"	0	""	""	1	1	24205207	""
"734626"	"734626"	"6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(NCCCN(C)C)nc4ccccc34"	0	""	""	1	1	24205208	""
"734628"	"734628"	"6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4ccc(cc4)C(=O)C)nc5ccccc35"	0	""	""	1	1	24205210	""
"734629"	"734629"	"6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4cccc(c4)C(=O)C)nc5ccccc35"	0	""	""	1	1	24205211	""
"734631"	"734631"	"(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2c(c1)\C(=N\O)\c3c2c(Nc4ccc(cc4)\C(=N\O)\C)nc5ccccc35"	0	""	""	1	1	24205213	""
"734633"	"734633"	"(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine"	"COc1ccc2c(c1)\C(=N\O)\c3c2c(Nc4cccc(c4)\C(=N/O)\C)nc5ccccc35"	0	""	""	1	1	24205215	""
"734640"	"734640"	"9-Methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine"	"COc1ccc2c(c1)\C(=N/c3ccc(F)c(F)c3F)\c4c2c(Nc5ccc(F)c(F)c5F)nc6ccccc46"	0	""	""	2	2	24205222	""
"734646"	"734646"	"6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(Nc4ccc(Cl)cc4)nc5ccccc35"	0	""	""	1	1	24205228	""
"734655"	"734655"	"(11Z)-N,9-Dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine"	"CONc1nc2ccccc2c3\C(=N/OC)\c4cc(OC)ccc4c13"	0	""	""	1	1	24205237	""
"734656"	"734656"	"[(Z)-(9-Methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate"	"COc1ccc2c(c1)\C(=N\OC(=O)C)\c3c2c(O)nc4ccccc34"	0	""	""	1	1	135580410	""
"734749"	"734749"	"6-(3-Azido-propyl)-2,3-dimethoxthy-5,11-dioxo-5,11-dihyd..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	17755511	""
"734755"	"734755"	"Benzoic acid 10-hydroxy-11-oxo-5,11-dihydro-benzo[4,5]im..."	"Oc1ccc(OC(=O)c2ccccc2)c3C=C4Nc5ccccc5N4C(=O)c13"	0	""	""	1	1	24205252	""
"734757"	"734757"	"7,8-Dihydroxy-2,6-dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)qui..."	"CCOC(=O)c1c(C)n2C(=O)C=C(C)c3c(O)c(O)cc1c23"	0	""	""	1	1	24205254	""
"734758"	"734758"	"Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate"	"COC(=O)c1c(OC(=O)OCc2ccc(cc2)[N+](=O)[O-])ccc3c1c4C(=C)c5ccccc5C(=O)c4n3Cc6ccccc6"	0	""	""	1	1	11706969	""
"734788"	"734788"	"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile"	"C\C(=N/N1C(=C(C#N)C(=C(C#N)C1=O)c2ccc(Cl)cc2)N)\c3ccncc3"	0	""	""	1	1	11516616	""
"734789"	"734789"	"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile"	"C\C(=N/N1C(=C(C#N)C(=C(C#N)C1=O)c2ccc(Cl)cc2)N)\c3cccnc3"	0	""	""	1	1	11696754	""
"734791"	"734791"	"4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one"	"OCC1OC(CC2OC=C3C(=O)OCCC3(O)C2C=C)C(O)C(O)C1O"	0	""	""	1	1	24205264	""
"734793"	"734793"	"9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one"	"CCCn1c2c3ccccc3C(=O)c2c4c(O)cccc14"	0	""	""	1	1	24205265	""
"734794"	"734794"	"9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one"	"COc1ccc(Cn2c3c4ccccc4C(=O)c3c5c(O)cccc25)cc1"	0	""	""	1	1	24205266	""
"734795"	"734795"	"9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one"	"Oc1cccc2c1c3C(=O)c4ccccc4c3n2c5ccccc5"	0	""	""	1	1	24205267	""
"734796"	"734796"	"6-(3-Amino-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)C#N)c2cc1OC"	0	""	""	1	1	17755628	""
"734797"	"734797"	"6-(3-Chloro-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydr..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl"	0	""	""	1	1	17755316	""
"734798"	"734798"	"Bis-{(5,6-dihydro-5,11-diketo-3-nitro-11H-indeno[1,2-c]i..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCNCCCNCCCN4C(=O)c5ccccc5C6=C4c7cc(ccc7C6=O)[N+](=O)[O-])C(=O)c2c1)c8ccccc8C3=O"	0	""	""	2	2	45027890	""
"734799"	"734799"	"6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccc(F)cc4C3=O"	0	""	""	1	1	17756504	""
"734872"	"734872"	"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-3-nitro-5,11-di..."	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	1	1	44409874	""
"734875"	"734875"	"5-O-Methyl 1,2,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1..."	"COC(=O)C1CC2(C(=C(c3ccc(C)cc3)C1(c4ccc(C)cc4)S2=O)c5ccc(C)cc5)c6ccc(C)cc6"	0	""	""	1	1	24205269	""
"734877"	"734877"	"5,6-Dicyano-1,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1..."	"Cc1ccc(cc1)C2=C(c3ccc(C)cc3)C4([C@@H](C#N)[C@H](C#N)C2(c5ccc(C)cc5)S4=O)c6ccc(C)cc6"	0	""	""	1	1	24205271	""
"734905"	"734905"	"6-(3-Azido-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	17755410	""
"734912"	"734912"	"(1S,4R,6R,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one"	"C[C@@]1(O)CC[C@H]2O[C@]2(C)CC[C@H]3O[C@]3(C)CC[C@H]4C[C@H]1OC(=O)C4=C"	0	""	""	1	1	24205275	""
"734913"	"734913"	"(1S,4S,6S,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one"	"C[C@@]1(O)CC[C@H]2O[C@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@H]4C[C@H]1OC(=O)C4=C"	0	""	""	1	1	24205276	""
"734916"	"734916"	"[(1S,3R,13S,14R,15R)-3-Hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate"	"C[C@H]1CCCC2(C)OC2CCC3(CO3)[C@H](O)C[C@@H]4[C@@H](OC(=O)C4=C)[C@@H]1OC(=O)C"	0	""	""	1	1	24205279	""
"734918"	"734918"	"(1S,5S,6R,10E,14R,15S,17R)-14-Hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one"	"C[C@@H]1CCC\C(=C\CC[C@@](C)(O)[C@@H]2C[C@@H]3[C@@H](O2)[C@H]1OC(=O)C3=C)\C"	0	""	""	2	2	6520568	""
"734919"	"734919"	"(1S,5S,8R,9S,11S,12R)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one"	"C[C@H]1C[C@@H](C=C(C)C)[C@@](C)(O)[C@@]2(O)OC(=O)C3=C2[C@@H]1CC[C@@H]3C"	0	""	""	1	1	54612670	""
"734921"	"734921"	"Elisabatin B"	"CC(=Cc1cc(C)c2ccc(C)c3C(=O)C(=C(C)c1c23)O)C"	0	""	""	1	1	10637400	""
"734923"	"734923"	"1,7-bis(3, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione"	"COc1ccc(\C=C\C(=C\C(=O)\C=C\c2ccc(OC)c(OC)c2)\O)cc1OC"	0	""	""	1	1	6477182	""
"734924"	"734924"	"Ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate"	"CCOC(=O)\C=C\C(=C(\O)/C=C/c1ccc(O)c(OC)c1)\C(=O)\C=C\c2ccc(O)c(OC)c2"	0	""	""	1	1	54695591	""
"734926"	"734926"	"Flavenochromane C"	"COc1cc2OC(C)(C)CCc2c3OC(=C(O)C(=O)c13)c4ccc(O)cc4"	0	""	""	2	2	11451469	""
"734945"	"734945"	"N-(4-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide"	"Nc1ccc(NC(=O)c2ccc(cc2)C(=C)CN3CCc4ccccc4C3)cc1"	0	"HDAC"	""	1	1	24205282	""
"734948"	"734948"	"N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide"	"Nc1ccccc1NC(=O)CCCc2ccc(cc2)C(=C)CN3CCc4ccccc4C3"	0	"HDAC"	""	1	1	24205285	""
"734949"	"734949"	"4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide"	"C=C(CN1CCc2ccccc2C1)c3ccc(cc3)C(=O)Nc4cnccn4"	0	"HDAC"	""	1	1	24205286	""
"734950"	"734950"	"Cyclopamine"	"C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C)[C@@H]2C"	0	""	""	2	1	442972	"4449518"
"734969"	"734969"	"Ethyl 3-(tolan-4'-yl)acrylate"	"CCOC(=O)\C=C\c1ccc(cc1)C#Cc2ccccc2"	0	""	""	1	1	24205295	""
"734970"	"734970"	"4-[2-(1H-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-..."	"Cn1c2c(C(=O)N(CCCC(=O)NCCc3c[nH]cn3)c4c(nnn24)c5ccccc5)c6ccccc16"	0	""	""	1	1	24205296	""
"734972"	"734972"	"4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[..."	"CCCCN(CCCC)CCCN1C(=O)c2c(n(C)c3ccccc23)n4nnc(c5ccccc5)c14"	0	""	""	1	1	24205298	""
"734973"	"734973"	"1,2,9,10-Tetrahydrothiazolo[2,3:2',3']pyrimido[6,5-b}ind..."	"O=C1N2CCSC2=Nc3c1[nH]c4ccccc34"	0	""	""	1	1	1508416	""
"734974"	"734974"	"2,3,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indo..."	"O=C1N2CCSC2=Nc3[nH]c4ccccc4c13"	0	""	""	1	1	24205299	""
"734975"	"734975"	"6,7-Dihydropyrrolo[3,2-d][1,3]thiazolo[3,2-a]pyrimidin-9..."	"O=C1N2CCSC2=Nc3cc[nH]c13"	0	""	""	1	1	24205300	""
"734977"	"734977"	"Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2-e][1,2,3]tr..."	"CCOC(=O)CNC(=O)CCCN1C(=O)c2c(n(C)c3ccccc23)n4nnc(c5ccccc5)c14"	0	""	""	1	1	24205302	""
"734978"	"734978"	"4-[4-N,N'-dicyclohexylcarbamidyl-1-oxobutyl-glicyl]-10-m..."	"Cn1c2c(C(=O)N(CCCC(=O)NCC(=O)O\C(=N\C3CCCCC3)\NC4CCCCC4)c5c(nnn25)c6ccccc6)c7ccccc17"	0	""	""	1	1	24205303	""
"734980"	"734980"	"Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3..."	"CCCOC(=O)CCN1C(=Nc2[nH]cc(c3ccccc3)c2C1=O)SC"	0	""	""	1	1	24205305	""
"734981"	"734981"	"Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3..."	"CCOC(=O)CCCN1C(=Nc2[nH]cc(c3ccccc3)c2C1=O)SC"	0	""	""	1	1	24205306	""
"734982"	"734982"	"Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,5-dihydr..."	"CCOC(=O)CCCN1C(=Nc2cc([nH]c2C1=O)c3occc3)SC"	0	""	""	1	1	24205307	""
"734996"	"734996"	"N-[4-[3-[2-[3-(Benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide"	"O=C(NCCCCOCC#Cc1ccccc1C#CCS(=O)(=O)c2ccccc2)c3cc4ccccc4[nH]3"	0	""	""	2	2	24205308	""
"734997"	"734997"	"6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"COc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	24205309	""
"734999"	"734999"	"6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2cccs2"	0	""	""	1	1	24205311	""
"735000"	"735000"	"6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"CSc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	24205312	""
"735001"	"735001"	"6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccccc2C(F)(F)F"	0	""	""	1	1	16750522	""
"735002"	"735002"	"1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene"	"COc1ccccc1C#Cc2ccccc2C#CCCCCCC#Cc3ccccc3C#Cc4ccccc4OC"	0	""	""	1	1	24205313	""
"735004"	"735004"	"2-[(3Z,9Z)-12-(2-Aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline"	"Nc1ccccc1C#C\C=C/C#CC#C\C=C/C#Cc2ccccc2N"	0	""	""	1	1	24205315	""
"735006"	"735006"	"5, 7, 4' Trimethoxy Flavanone"	"COc1ccc(cc1)C2CC(=O)c3c(OC)cc(OC)cc3O2"	0	""	""	1	1	5003667	""
"735007"	"735007"	"6,8 Dimethoxy  5,4' dihydroxy flavone 7-o rhamnoside"	"COc1c(O)c2C(=O)C=C(Oc2c(OC)c1OC3OC(C)C(O)C(O)C3O)c4ccc(O)cc4"	0	""	""	1	1	24205317	""
"735010"	"735010"	"6-(3-Amino-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	2	2	17755626	""
"735012"	"735012"	"Bis-{(5,6-dihydro-5,11-diketo-3-nitro-11H-indeno[1,2-c]i..."	"[O-][N+](=O)c1ccc2C3=C(N(CCNCCCNCCN4C(=O)c5cc(ccc5C6=C4c7ccccc7C6=O)[N+](=O)[O-])C(=O)c2c1)c8ccccc8C3=O"	0	""	""	2	2	45027892	""
"735019"	"735019"	"4-(1-Methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=O)NC(=C2)c3ccccc3"	0	""	""	1	1	19656591	""
"735021"	"735021"	"6-(3,4-Dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile"	"COc1ccc(cc1OC)C2=CC(=C(C#N)C(=O)N2)c3cccn3C"	0	""	""	1	1	19656600	""
"735023"	"735023"	"2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3ccccc3"	0	""	""	2	1	3355365	""
"735024"	"735024"	"2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3ccc(Br)cc3"	0	""	""	1	1	3399462	""
"735025"	"735025"	"2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile"	"COc1ccc(cc1OC)C2=CC(=C(C#N)C(=N)N2)c3cccn3C"	0	""	""	1	1	4659623	""
"735026"	"735026"	"2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile"	"Cn1cccc1C2=C(C#N)C(=N)NC(=C2)c3cccs3"	0	""	""	1	1	24205319	""
"735029"	"735029"	"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione"	"OC(CNC1=C(C(=O)c2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4)CN5CCOCC5"	0	""	""	2	1	11628216	""
"735030"	"735030"	"1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione"	"OC(CNC1=CC(=O)N(Cc2ccccc2)C(=O)N1Cc3ccccc3)CN4CCCC4"	0	""	""	1	1	11683496	""
"735031"	"735031"	"[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	"O=C(OC(CNC1=CC(=O)N(Cc2ccccc2)C(=O)N1Cc3ccccc3)CN4CCCC4)c5ccccc5"	0	""	""	1	1	11671069	""
"735032"	"735032"	"5-Benzoyl-1,3-dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione"	"OC(CNC1=C(C(=O)c2ccccc2)C(=O)N(Cc3ccccc3)C(=O)N1Cc4ccccc4)CN5CCCC5"	0	""	""	1	1	11599109	""
"735033"	"735033"	"[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate"	"CN1C(=O)C=C(NCC(CN2CCCC2)OC(=O)c3ccccc3)N(C)C1=O"	0	""	""	1	1	11639615	""
"735036"	"735036"	"6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,6-dihydro-..."	"COc1cc2C(=O)N(CCCN(C)CCO)C3=C(C(=O)c4cc5OCOc5cc34)c2cc1OC"	0	""	""	2	2	45027893	""
"735037"	"735037"	"Camptothecin Derivative"	"COc1cc2C(=O)N(CCCn3cccn3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	""	2	2	16090528	""
"735040"	"735040"	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)C(C)N13)c(C)c(c4ccccc4)n2COC(CO)CO"	0	""	""	1	1	24205323	""
"735041"	"735041"	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)C(C)N13)c(C)c(C)n2COC(CO)CO"	0	""	""	1	1	24205324	""
"735043"	"735043"	"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one"	"CSC1=Nc2c(C3=NC(=O)CC(C)N13)c(C)c(C)n2COC(CO)CO"	0	""	""	1	1	24205326	""
"735045"	"735045"	"10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one"	"CSC1=Nc2c(C3=NC(=O)CN13)c(C)c(c4ccccc4)n2COC(CO)CO"	0	""	""	1	1	24205328	""
"735063"	"735063"	"1-ethynyl-2-carboethoxyethenylnaphthalene"	"CCOC(=O)\C=C\c1ccc2ccccc2c1C#C"	0	""	""	1	1	24205329	""
"735152"	"735152"	"5,6-Dihydro-2,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5..."	"COc1cc2C(=O)N(CCCN(C)C)C3=C(C(=O)c4ccccc34)c2cc1OC"	0	""	""	2	2	44409870	""
"735165"	"735165"	"2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono..."	"Cc1ccc(cc1)\C(=C\C=C(C#N)C#N)\Sc2ccccn2"	0	""	""	2	2	24205332	""
"735167"	"735167"	"4-[2-Chloro-2-(3,4-dichloro-phenyl)-vinyl]-2,6-dimethyl-..."	"COC(=O)C1=C(C)NC(=C(C1\C=C(/Cl)\c2ccc(Cl)c(Cl)c2)C(=O)OC)C"	0	""	""	1	1	24205333	""
"735169"	"735169"	"3-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-p..."	"FC(F)(F)c1cc(S\C=C\C(=O)c2ccc(Cl)cc2)cc(c1)C(F)(F)F"	0	""	""	1	1	6181983	""
"735170"	"735170"	"1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsu..."	"FC(F)(F)c1ccnc(S\C=C/C(=O)c2ccc(Br)cc2)n1"	0	""	""	1	1	24205335	""
"735173"	"735173"	"5-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-2-pyrrolidin-1-..."	"FC(F)(F)c1nc(ncc1c2nnnn2c3ccc(Cl)cc3)N4CCCC4"	0	""	""	1	1	7285296	""
"735178"	"735178"	"5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-..."	"CN(C)c1ccc(\C=C/2\SC(=NC2=O)N3CCN(C)CC3)cc1"	0	""	""	1	1	1902891	""
"735179"	"735179"	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl di..."	"CCN(CC)C(=S)SCN1C(=O)c2ccccc2S1(=O)=O"	0	""	""	2	2	16072143	""
"735180"	"735180"	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl pi..."	"O=C1N(CSC(=S)N2CCCCC2)S(=O)(=O)c3ccccc13"	0	""	""	2	2	16072475	""
"735181"	"735181"	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl 4-..."	"CN1CCN(CC1)C(=S)SCN2C(=O)c3ccccc3S2(=O)=O"	0	""	""	1	1	16072473	""
"735182"	"735182"	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl mo..."	"O=C1N(CSC(=S)N2CCOCC2)S(=O)(=O)c3ccccc13"	0	""	""	1	1	16072469	""
"735183"	"735183"	"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl py..."	"O=C1N(CSC(=S)N2CCCC2)S(=O)(=O)c3ccccc13"	0	""	""	2	2	16072470	""
"735184"	"735184"	"S-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl..."	"CCOC(=S)SCN1C(=O)c2ccccc2S1(=O)=O"	0	""	""	1	1	16072465	""
"735186"	"735186"	"4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine"	"Nc1ccc(cc1)c2ccc(cc2)c3nc4ccccc4[nH]3"	0	""	""	2	2	24205338	""
"735207"	"735207"	"(2S)-1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	"COc1ccc2c(CN3CCCC[C@H]3C(=O)O)cc4cc5OCOc5cc4c2c1"	0	""	""	1	1	24205343	""
"735209"	"735209"	"(2S)-1-[(2-Phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid"	"OC(=O)[C@@H]1CCCCN1Cc2cc3cc4OCOc4cc3c5cc(OCc6ccccc6)ccc25"	0	""	""	1	1	24205345	""
"735211"	"735211"	"CSA13"	"CCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	""	""	2	2	24205348	""
"735212"	"735212"	"N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]p"	"C[C@H](CCCNCCCNCCCN)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	""	""	2	2	24205349	""
"735215"	"735215"	"(11Z)-14-(Furan-2-yl)-1-oxacyclotetradec-11-en-2-one"	"O=C1CCCCCCCC\C=C/CC(O1)c2occc2"	0	""	""	1	1	11994738	""
"735306"	"735306"	"1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione"	"OC[C@@H](NC(CC=C)C1=CN(Cc2ccccc2Cl)C(=O)N(Cc3ccccc3Cl)C1=O)c4ccccc4"	0	""	""	1	1	24205357	""
"735318"	"735318"	"1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)cc1"	0	""	""	1	1	24205367	""
"735320"	"735320"	"4-[4-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"C\C(=N/O)\c1ccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)cc1"	0	""	""	1	1	24205369	""
"735322"	"735322"	"4-[3-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"C\C(=N/O)\c1cccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)c1"	0	""	""	2	2	24205371	""
"735323"	"735323"	"4-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol"	"CO\N=C(/C)\c1cccc(Nc2cc(nc3c(O)cccc23)c4ccccc4)c1"	0	""	""	1	1	24205372	""
"735324"	"735324"	"N-[2-(Dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide"	"COc1cccc2c(Nc3ccc(cc3)C(=O)NCCN(C)C)cc(nc12)c4ccccc4"	0	""	""	1	1	24205373	""
"735325"	"735325"	"N-[2-(2-Hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide"	"COc1cccc2c(Nc3ccc(cc3)C(=O)NCCNCCO)cc(nc12)c4ccccc4"	0	""	""	1	1	24205374	""
"735327"	"735327"	"STK921190"	"COc1ccc2c(OC(=O)c3cc(OC)ccc23)c1"	0	""	""	1	1	800988	""
"735328"	"735328"	"3-[(2Z)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1ccc(cc1)\C(=N\O)\COc2ccc3c(OC(=O)c4cc(OC)ccc34)c2"	0	""	""	1	1	24205376	""
"735330"	"735330"	"3-[(2Z)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1cccc(c1)\C(=N\O)\COc2ccc3c(OC(=O)c4cc(OC)ccc34)c2"	0	""	""	1	1	24205378	""
"735331"	"735331"	"4-[(2Z)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"O=C1CC\C(=C\COC2=CC(=O)Oc3ccccc23)\O1"	0	""	""	1	1	24205379	""
"735332"	"735332"	"6,7-Dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"Cc1cc2OC(=O)C=C(OC\C=C/3\CCC(=O)O3)c2cc1C"	0	""	""	1	1	24205380	""
"735333"	"735333"	"4-Methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"CC1=CC(=O)Oc2ccc(OC\C=C\3/CCC(=O)O3)cc12"	0	""	""	1	1	24205381	""
"735334"	"735334"	"7-[(2E)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"O=C1CC\C(=C/COc2ccc3C=CC(=O)Oc3c2)\O1"	0	""	""	1	1	24205382	""
"735335"	"735335"	"4-Methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one"	"CC1=CC(=O)Oc2cc(OC\C=C\3/CCC(=O)O3)ccc12"	0	""	""	2	2	24205383	""
"735341"	"735341"	"3-[(2Z)-2-Hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one"	"COc1ccc2c(c1)C(=O)Oc3cc(OC\C(=N/O)\C)ccc23"	0	""	""	1	1	24205389	""
"735354"	"735354"	"1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)n2ccnc2c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	11688687	""
"735355"	"735355"	"2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1ccc(cc1)c2nccn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	11233092	""
"735356"	"735356"	"2,5-bis(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-i..."	"COc1ccc(cc1)c2cnc(c3ccc(OC)cc3)n2c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	11408209	""
"735362"	"735362"	"1'-.beta.-7-(1H-benzoquinazoline-2,4-dione)-2'-deoxy-D-r..."	"OCC1OC(CC1O)c2ccc3cc4NC(=O)NC(=O)c4cc3c2"	0	""	""	1	1	24205394	""
"735363"	"735363"	"1'-.beta.-7-(2-amino-1H-benzoquinazolin-4-one)-2'-deoxy-..."	"NC1=NC(=O)c2cc3cc(ccc3cc2N1)C4CC(O)C(CO)O4"	0	""	""	1	1	135580412	""
"735364"	"735364"	"(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate"	"COc1cccc(OC(=O)c2ccc(nc2Nc3c(C)cccc3Cl)C(F)(F)F)c1"	0	""	""	1	1	24205396	""
"735366"	"735366"	"2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c1C#N)c3ccccc3Cl"	0	""	""	1	1	24205398	""
"735368"	"735368"	"2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3cccc(O)c3)c1C#N"	0	""	""	1	1	24205400	""
"735369"	"735369"	"2-Amino-4-(4-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3ccc(Cl)cc3)c1C#N"	0	""	""	1	1	24205401	""
"735372"	"735372"	"Bis{(5,6-dihydro-5,11-diketo-2,3-dimethoxy-11H-indeno[1,..."	"COc1cc2C(=O)N(CCNCCCNCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC"	0	""	""	2	2	45027895	""
"735373"	"735373"	"Bis{(5,6-dihydro-5,11-diketo-2,3-dimethoxy-11H-indeno[1,..."	"COc1cc2C(=O)N(CCCNCCCNCCCN3C(=O)c4cc(OC)c(OC)cc4C5=C3c6ccccc6C5=O)C7=C(C(=O)c8ccccc78)c2cc1OC"	0	""	""	2	2	45027896	""
"735403"	"735403"	"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F"	0	"HDAC"	""	1	1	11534053	""
"735405"	"735405"	"AGN-PC-00AQFW"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccc(F)c(Cl)c4"	0	"HDAC"	""	1	1	11518347	""
"735406"	"735406"	"N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccc4F"	0	"HDAC"	""	1	1	11640567	""
"735407"	"735407"	"N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(F)c4"	0	"HDAC"	""	1	1	11704671	""
"735408"	"735408"	"N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3C(=O)c4ccccc4c5ccccc35"	0	"HDAC"	""	2	2	11719256	""
"735424"	"735424"	"2-(3-(hydroxymethyl)phenylamino)-6-(2,6-dichlorophenyl)-..."	"CN1C(=O)C(=Cc2cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl"	0	""	""	2	2	447700	""
"735431"	"735431"	"2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen..."	"Fc1ccc(S\C(=C/C=C(C#N)C#N)\c2ccc(Cl)cc2)cc1Cl"	0	""	""	2	2	18527565	""
"735432"	"735432"	"6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol"	"Nc1ccccc1C#Cc2ccccc2C#CCCCCO"	0	""	""	1	1	24205403	""
"735435"	"735435"	"1-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one"	"FC(F)(F)c1ccccc1C#C\C=C/C#Cc2ccccc2N3CCCCC3=O"	0	""	""	1	1	24205406	""
"735437"	"735437"	"2-[(Z)-6-(2,3,4,5,6-Pentafluorophenyl)hex-3-en-1,5-diynyl]aniline"	"Nc1ccccc1C#C\C=C/C#Cc2c(F)c(F)c(F)c(F)c2F"	0	""	""	1	1	24205408	""
"735441"	"735441"	"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol"	"OCCCCC#Cc1ccccc1C#Cc2ccc(O)cc2"	0	""	""	1	1	24205412	""
"735444"	"735444"	"6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol"	"OCCCCC#Cc1ccccc1C#Cc2ccc(cc2)C(F)(F)F"	0	""	""	1	1	24205415	""
"735465"	"735465"	"10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-..."	"CN1CCN(CC1)C2=CC3=Nc4ccccc4N(C3=CC2=N)c5ccc(Cl)cc5"	0	""	""	1	1	24205416	""
"735466"	"735466"	"2[5(4-{2-[3-(4-Chloroanilino)-10-(4-chlorophenyl)-2,10-d..."	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N\CCN5CCN(CCCCCN6C(=O)c7cccc8cccc(C6=O)c78)CC5)c9ccc(Cl)cc9)cc1"	0	""	""	1	1	5276681	""
"735467"	"735467"	"2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,12-dihydro..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCCCC6)c(O)ccc25"	0	""	""	1	1	24205417	""
"735469"	"735469"	"2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,12-dihydro..."	"Cc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCOCC6)c(O)ccc25"	0	""	""	1	1	24205419	""
"735471"	"735471"	"2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,1..."	"COc1ccc(cc1)n2c3C(=O)c4ccccc4CCc3c5c(CN6CCOCC6)c(O)ccc25"	0	""	""	1	1	24205421	""
"735472"	"735472"	"(2E,8S,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol"	"OC\C=C\C#CC#C[C@@H](O)\C=C/CCCCCC=C"	0	""	""	1	1	10355169	""
"735473"	"735473"	"(2E,8R,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol"	"OC\C=C\C#CC#C[C@H](O)\C=C/CCCCCC=C"	0	""	""	1	1	24205422	""
"735493"	"735493"	"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-2,3-dimethoxy-5,11..."	"COc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5ccccc45)c2cc1OC"	0	""	""	2	2	45027897	""
"735519"	"735519"	"N-(2,6-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide"	"CC1SC2(CCCCC2C)N(NC(=O)c3[nH]c4ccc(C)cc4c3c5ccccc5)C1=O"	0	""	""	1	1	24205425	""
"735520"	"735520"	"5-Methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide"	"CC1CCCC2(C1)SCC(=O)N2NC(=O)c3[nH]c4ccc(C)cc4c3c5ccccc5"	0	""	""	1	1	24205426	""
"735532"	"735532"	"5-Bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide"	"CC1SC2(CCCCC2)N(NC(=O)c3[nH]c4ccc(Br)cc4c3c5ccccc5)C1=O"	0	""	""	1	1	24205438	""
"735540"	"735540"	"5-fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4...."	"CC1SC2(CCC(CC2)c3ccccc3)N(NC(=O)c4[nH]c5ccc(F)cc5c4c6ccccc6)C1=O"	0	""	""	1	1	24205446	""
"735779"	"735779"	"N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(a..."	"COc1ccc2C3CC[C@@]4(C)C(CC[C@@]4(O)CNC(=O)\C=C\c5ccc(O)c(OC)c5)C3CCc2c1"	0	""	""	1	1	24205448	""
"735780"	"735780"	"3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydron..."	"CCOC(=O)\C=C\C1=C(c2cccs2)c3ccccc3CC1"	0	""	""	1	1	24205449	""
"735797"	"735797"	"7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny..."	"COc1ccc2C(=CC(=O)Oc2c1C)N3CCN(CCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	2	16113135	""
"735798"	"735798"	"7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny..."	"COc1ccc2C(=CC(=O)Oc2c1C)N3CCN(CCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	2	16113137	""
"735799"	"735799"	"7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1- pyr..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCN4CCN(CC4)C5=CC(=O)Oc6ccccc56"	0	""	""	2	2	16040331	""
"735805"	"735805"	"N-(4-Fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide"	"Fc1ccc(NC(=O)CN2C(=O)C(=Nc3ccccc23)c4ccccc4)cc1"	0	""	""	1	1	11975181	""
"735806"	"735806"	"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide"	"Fc1ccc(NC(=O)CSc2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	16079751	""
"735807"	"735807"	"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide"	"Fc1ccc(NC(=O)CS(=O)(=O)c2nc3ccccc3nc2c4ccccc4)cc1"	0	""	""	1	1	16079755	""
"735809"	"735809"	"(5E)-5-[(3-Phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol"	"OCC(O)C(O)C(O)\C=N\Nc1nc2ccccc2nc1c3ccccc3"	0	""	""	1	1	24205451	""
"735812"	"735812"	"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2cccc(Cl)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	24205454	""
"735814"	"735814"	"N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2cccc(O)c2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	24205456	""
"735815"	"735815"	"N-(3-Chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide"	"CC1=C(C(NC(=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(F)c(Cl)c3"	0	""	""	1	1	24205457	""
"735819"	"735819"	"Thieno[2,3-c]-2-acetyl-9,10-dihydrophenanthrene"	"CC(=O)c1cc2CCc3ccccc3c2c4ccsc14"	0	""	""	1	1	24205461	""
"735821"	"735821"	"2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-..."	"O=C1N(CCN2CCNCC2)C(=O)c3ccc(N4CCN(CC4)c5ccc6C(=O)N(CCN7CCNCC7)C(=O)c8cccc5c68)c9cccc1c39"	0	""	""	1	1	24205463	""
"735823"	"735823"	"2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-d..."	"CN1CCN(CC1)c2ccc3C(=O)N(CCN4CCN(CCCN5CCN(CCN6C(=O)c7cccc8c(ccc(C6=O)c78)N9CCN(C)CC9)CC5)CC4)C(=O)c%10cccc2c3%10"	0	""	""	1	1	24205465	""
"735824"	"735824"	"5-hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyra..."	"Oc1cc(OCCCCCN2CCN(CC2)C3=CC(=O)Oc4ccccc34)cc5OC(=CC(=O)c15)c6ccccc6"	0	""	""	1	1	24205466	""
"735827"	"735827"	"7-.beta.-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine"	"OCC1OC(C(O)C1O)c2scc3C(=O)NC=Nc23"	0	""	""	1	1	135580413	""
"735843"	"735843"	"4,5,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-di..."	"Cc1ccc(cc1)C2=C(c3ccc(C)cc3)C4(C5C(C(=O)OC5=O)C2(c6ccc(C)cc6)S4=O)c7ccc(C)cc7"	0	""	""	1	1	24205469	""
"735846"	"735846"	"2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo["	"C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC\C(=N\OCC(=O)O)\CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)OC7O[C@@]8(C)CC[C@@H]1[C@@]27OO8"	0	""	""	2	2	45027898	""
"735946"	"735946"	"N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra..."	"COc1cc(\C=C\C(=O)NC[C@]2(O)CCC3C4CCc5cc(O)ccc5C4CCC23C)ccc1O"	0	""	""	1	1	24205473	""
"735947"	"735947"	"N-(3',4'-Dihydroxycinnamoyl-3-methoxy-17a-aminomethyl)-e..."	"COc1ccc2C3CCC4(C)C(CC[C@@]4(O)CNC(=O)\C=C\c5ccc(O)c(O)c5)C3CCc2c1"	0	""	""	1	1	24205474	""
"736005"	"736005"	"6-(3-Bromopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	17756502	""
"736016"	"736016"	"2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Cc1oc(cc1)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	24205478	""
"736018"	"736018"	"2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile"	"COc1cc(cc(OC)c1OC)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	24205480	""
"736019"	"736019"	"2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"COc1ccc(cc1)c2c(C#N)c(N)nc(N3CCOCC3)c2C#N"	0	""	""	1	1	24205481	""
"736022"	"736022"	"2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c1C#N)c3c(Cl)cccc3Cl"	0	""	""	1	1	16721101	""
"736023"	"736023"	"2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile"	"Nc1nc(N2CCOCC2)c(C#N)c(c3ccccn3)c1C#N"	0	""	""	2	1	24205484	""
"736039"	"736039"	"5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H..."	"Oc1cc(OCCCCCN2CCOCC2)cc3OC(=CC(=O)c13)c4ccccc4"	0	""	""	1	1	24205486	""
"736040"	"736040"	"5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]..."	"CN1CCN(CCCCCOc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4)CC1"	0	""	""	1	1	24205487	""
"736041"	"736041"	"7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chro..."	"CCN(CC)CCCCCOc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3"	0	""	""	1	1	24205488	""
"736042"	"736042"	"5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole"	"[O-][N+](=O)c1ccc(\C=C\c2nc3cc(Cl)ccc3[nH]2)cc1"	0	""	""	1	1	15373173	""
"736043"	"736043"	"N-(3',4'-Dihydroxycinnamoyl)-17a-(aminomethyl)-estra-1,3..."	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)CNC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	24205489	""
"736048"	"736048"	"N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2-..."	"Cc1nc2ccccn2c1NC(=O)NN3C(SCC3=O)c4ccc(Cl)cc4"	0	""	""	1	1	24205494	""
"736049"	"736049"	"N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2..."	"COc1ccc(cc1)C2SCC(=O)N2NC(=O)Nc3c(C)nc4ccccn34"	0	""	""	1	1	24205495	""
"736060"	"736060"	"2-(4-Methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine"	"CS(=O)(=O)c1ccc(cc1)c2nc(NCc3cccs3)cc(n2)C(F)(F)F"	0	""	""	1	1	24205505	""
"736062"	"736062"	"2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioi..."	"Cc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205507	""
"736063"	"736063"	"2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodit..."	"O=S(=O)(\N=C\1/NCCN1C(=S)SN2CCN3C(=S)SN=C23)c4cccc5ccccc45"	0	""	""	1	1	24205508	""
"736064"	"736064"	"2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bod..."	"Brc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205509	""
"736065"	"736065"	"2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin..."	"FC(F)(F)Oc1ccc(cc1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205510	""
"736067"	"736067"	"2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbo..."	"O=S(=O)(\N=C\1/NCCN1C(=S)SN2CCN3C(=S)SN=C23)c4ccc(Oc5ccccc5)cc4"	0	""	""	1	1	24205512	""
"736068"	"736068"	"2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin..."	"FC(F)(F)Oc1cccc(c1)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205513	""
"736070"	"736070"	"2-(3,4-Dimethoxy-benzenesulfonylimino)-imidazolidine-1-c..."	"COc1ccc(cc1OC)S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	24205515	""
"736076"	"736076"	"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpipe..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCN(CC3)c4ccccc4"	0	""	""	1	1	24205521	""
"736079"	"736079"	"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCCC3"	0	""	""	2	2	24205524	""
"736081"	"736081"	"4-morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]..."	"Nc1nc(\C=C/c2ccc(s2)[N+](=O)[O-])nc(n1)N3CCOCC3"	0	""	""	1	1	24205526	""
"736098"	"736098"	"VGHQGXLWUQBSQS-UHFFFAOYSA-N"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3c4ccccc4C(=O)c5ccccc35"	0	"HDAC"	""	2	2	11612031	""
"736099"	"736099"	"N-(2-Aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide"	"CN1CC(=O)N(CC(=C)c2ccc(cc2)C(=O)Nc3ccccc3N)C1=O"	0	"HDAC"	""	1	1	11682081	""
"736100"	"736100"	"4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide"	"CC(N1C(=O)[C@H]2CCCN2C(=O)c3ccccc13)C(=C)c4ccc(cc4)C(=O)N(C)c5ccccc5N"	0	"HDAC"	""	1	1	24205527	""
"736101"	"736101"	"N-(2-Aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3c4ccccc4Sc5ccccc35"	0	"HDAC"	""	2	2	24205528	""
"736104"	"736104"	"4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid"	"CN1C(=O)N(C)C(=O)C(CC(=C)c2ccc(cc2)C(=O)O)(CC(=C)c3ccc(cc3)C(=O)O)C1=O"	0	""	""	1	1	24205530	""
"736112"	"736112"	"5-methoxy, 4'-hydroxy,3-prenyl 7-O-rhamnopyranosido flavone"	"COc1cc(OC2OC(C)C(O)C(O)C2O)cc3OC(=C(CC=C(C)C)C(=O)c13)c4ccc(O)cc4"	0	""	""	1	1	24205532	""
"736115"	"736115"	"6-(3-Azidopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	17756605	""
"736116"	"736116"	"6-(3-Amonopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox..."	"Cc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	17755118	""
"736118"	"736118"	"3,4-Dihydroxy-N-(3'-methoxyestra-1',3',5'(10'),6'-tetrae..."	"COc1ccc2C3CC[C@]4(C)C(CCC4C3C=Cc2c1)NC(=O)\C=C\c5ccc(O)c(O)c5"	0	""	""	1	1	24205536	""
"736122"	"736122"	"1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic ac..."	"CCOC(=O)\C=C\C1=C(c2ccccc2CC1)c3csc4ccccc34"	0	""	""	1	1	24205538	""
"736123"	"736123"	"N-(1',2'-Dithiolanyl-3'-pentanonyl)-17-aminomethyl-3-met..."	"COc1ccc2C3CCC4(C)C(CCC4(O)CNC(=O)CCCCC5CCSS5)C3CCc2c1"	0	""	""	1	1	24205539	""
"736149"	"736149"	"N-[(E)-(4-Chlorophenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4ccc(Cl)cc4"	0	""	""	1	1	11590674	""
"736150"	"736150"	"N-[(E)-(4-Hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4ccc(O)cc4"	0	""	""	1	1	135580415	""
"736151"	"736151"	"5-Methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide"	"Cc1csc(\C=N\NC(=O)c2nnn(c2C)c3ccnc4c(cccc34)C(F)(F)F)c1"	0	""	""	1	1	24205551	""
"736152"	"736152"	"(E)-3-(4-Chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)\C=C\c4ccc(Cl)cc4"	0	""	""	1	1	11532324	""
"736153"	"736153"	"(E)-3-(4-Hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one"	"Cc1c(nnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)\C=C\c4ccc(O)cc4"	0	""	""	1	1	24205552	""
"736156"	"736156"	"3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1)c2nn3c(nnc3s2)c4ccc(F)c(Cl)c4"	0	""	""	1	1	24205555	""
"736157"	"736157"	"3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole"	"Fc1ccc(cc1Cl)c2nnc3sc(nn23)c4cc(Cl)cc(Cl)c4"	0	""	""	1	1	24205556	""
"736160"	"736160"	"3-(3-Chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccc(F)c(Cl)c4"	0	""	""	1	1	24205559	""
"736161"	"736161"	"3-(3-Chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"CSc1ccc(cc1)C2=Nn3c(SC2)nnc3c4ccc(F)c(Cl)c4"	0	""	""	1	1	24205560	""
"736162"	"736162"	"1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)C"	0	""	""	1	1	11709663	""
"736163"	"736163"	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)c4ccc(F)cc4"	0	""	""	1	1	24205561	""
"736164"	"736164"	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3ccc(F)cc3)C(=O)c4ccc(N)cc4"	0	""	""	1	1	24205562	""
"736165"	"736165"	"pyrazoline derivative"	"CSc1ccc(cc1)C2=NN(C(C2)c3oc(cc3)c4ccc(Cl)cc4)C(=O)C"	0	""	""	1	1	11690083	""
"736178"	"736178"	"1N-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-..."	"Clc1ccc(NC(=O)CN2CCN(CCCOC3=C(Oc4ccccc4C3=O)c5ccccc5)CC2)c(c1)C(=O)c6ccccc6Cl"	0	""	""	1	1	24205570	""
"736179"	"736179"	"1,2-Dithiolan-3-yl-N-(3'-methoxyestra-1',3',5'(10')-trie..."	"COc1ccc2C3CCC4(C)C(CCC4C3CCc2c1)NC(=O)CCCCC5CCSS5"	0	""	""	1	1	24205571	""
"736181"	"736181"	"5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4..."	"CN(CCCCCl)P(=O)(OCC1OC(CC1O)N2C=C(C(=O)NC2=O)[N+](=O)[O-])OCc3oc(cc3)[N+](=O)[O-]"	0	""	""	1	1	24205572	""
"736186"	"736186"	"(9-Methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine"	"COc1ccc2c(Cc3c2c(NN)nc4ccccc34)c1"	0	""	""	1	1	24205577	""
"736195"	"736195"	"3-Chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide"	"CC(Cl)CC(=O)Nc1ccc2c(OC(=O)c3cc(NC(=O)CC(C)Cl)ccc23)c1"	0	""	""	1	1	24205586	""
"736198"	"736198"	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCBr)C(=O)c2c1)c4ccc(Cl)cc4C3=O"	0	"TOP1"	""	1	1	17755849	""
"736200"	"736200"	"6-(3-Bromopropyl)-5,6-dihydro3-nitro-5,11-dioxo-9-thiome..."	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	17755847	""
"736201"	"736201"	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(F)cc4C3=O"	0	"TOP1"	""	2	2	17755972	""
"736202"	"736202"	"Indenoisoquinoline derivative"	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(I)cc4C3=O"	0	"TOP1"	""	1	1	17755023	""
"736213"	"736213"	"2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod..."	"Clc1ccccc1S(=O)(=O)\N=C\2/NCCN2C(=S)SN3CCN4C(=S)SN=C34"	0	""	""	1	1	16038016	""
"736241"	"736241"	"3-Methoxy-estra-1,3,5(10)-triene-(17,16-c)pyrazole"	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](Cc5c[nH]nc45)[C@@H]3CCc2c1"	0	""	""	1	1	24205614	""
"736242"	"736242"	"4-(Benzothien-2''-yl)-3-acetylethenyl-1,2,-dihydronaphth..."	"CC(=O)\C=C\C1=C(c2cc3ccccc3s2)c4ccccc4CC1"	0	""	""	1	1	24205615	""
"736268"	"736268"	"2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMET..."	"CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(OC)cc2)n1"	0	""	""	2	2	7861871	""
"736283"	"736283"	"4-carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthi..."	"CCCCC(SC(=S)N1CCCC1)C(=O)Nc2nc(CC(=O)OCC)cs2"	0	""	""	1	1	24205626	""
"736356"	"736356"	"(2E)-2-Cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide"	"S\C(=C(/C#N)\c1nnc2c3ccccc3C(=O)Nn12)\Nc4ccccc4"	0	""	""	1	1	24205673	""
"736359"	"736359"	"5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1F)c2cncn2c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	11233655	""
"736391"	"736391"	"2-[2-[(N,N-diethylamino)thiocarbamoylthio]hexanoylamino]..."	"CCCCC(SC(=S)N(CC)CC)C(=O)Nc1nc(CC(=O)OCC)cs1"	0	""	""	1	1	24205695	""
"736394"	"736394"	"6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(F)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	17755122	""
"736401"	"736401"	"N'-[2-(1,3-Benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide"	"Cc1cc(NNC(=O)c2ccccc2O)nc(Nc3oc4ccccc4n3)n1"	0	""	""	2	1	24205702	""
"736435"	"736435"	"6,7-difluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d..."	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4cc(F)c(F)cc14)C(F)(F)F"	0	""	""	1	1	23635284	""
"736437"	"736437"	"7-fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4ccc(F)cc14)C(F)(F)F"	0	""	""	1	1	23635287	""
"736442"	"736442"	"7-fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxal..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	23635525	""
"736443"	"736443"	"7-fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-di..."	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	23635646	""
"736448"	"736448"	"7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio..."	"CCC(=O)c1c([n+]([O-])c2cc(N3CCNCC3)c(F)cc2[n+]1[O-])C(F)(F)F"	0	""	""	1	1	24205716	""
"736463"	"736463"	"MK-886"	"CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc3ccc(Cl)cc3"	0	""	""	4	2	3651377	""
"736493"	"736493"	"Indenoisoquinoline derivative"	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(I)cc4C3=O)[N+](=O)[O-]"	0	"TOP1"	""	2	2	17755126	""
"736494"	"736494"	"6-(3-Aminopropyl)-9-chloro-5,6-dihydro-3-nitro-5,11-diox..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(Cl)cc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	17756087	""
"736513"	"736513"	"\"Leptostatin 2\" 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@H]1OC(=O)C=C[C@H]1C"	0	""	""	2	1	11598010	""
"736553"	"736553"	"Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl..."	"CCOC(=O)\C=C\C1=C(c2ccsc2)c3ccc(OC)cc3CC1"	0	""	""	2	2	24205739	""
"736555"	"736555"	"5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one"	"OC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	""	""	1	1	24205741	""
"736563"	"736563"	"2-(4-chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-..."	"Cc1cc(Cl)ccc1OCC(=O)Nc2nc3c(Cl)cccc3s2"	0	""	""	1	1	4266640	""
"736564"	"736564"	"3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one"	"CCOC1Oc2ccccc2C3=C1C=C(Sc4ccc(C)cc4)C(=O)O3"	0	""	""	1	1	24205749	""
"736567"	"736567"	"(5Z)-5-[[4-(Diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one"	"CCOCNc1ccc(cc1)N2C(=O)\C(=C\c3ccc(cc3)N(CC)CC)\N=C2c4ccccc4"	0	""	""	1	1	24205751	""
"736574"	"736574"	"1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one"	"COc1cc(\C=N\CC(=O)CSC(c2ccccc2)c3ccccc3)ccc1O"	0	""	""	1	1	135580423	""
"736591"	"736591"	"AR-685/43306209"	"COc1cc(\C=C\C(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC"	0	""	""	1	1	9448385	""
"736605"	"736605"	"11H-Indolo[3,2-c]quinolin-6-amine"	"Nc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	1	1	2794531	""
"736606"	"736606"	"2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethanol"	"OCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	24205771	""
"736607"	"736607"	"N-(2-Piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine"	"C(CN1CCNCC1)Nc2nc3ccccc3c4[nH]c5ccccc5c24"	0	""	""	2	2	24205772	""
"736608"	"736608"	"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol"	"Oc1ccc(CCNc2nc3ccccc3c4[nH]c5ccccc5c24)cc1"	0	""	""	1	1	24205773	""
"736609"	"736609"	"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol"	"Oc1ccc(CCNc2nc3ccccc3c4[nH]c5ccccc5c24)cc1O"	0	""	""	1	1	24205774	""
"736611"	"736611"	"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine"	"NCCCNCCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	3	3	24205776	""
"736612"	"736612"	"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine"	"CN(CCCN)CCCNc1nc2ccccc2c3[nH]c4ccccc4c13"	0	""	""	2	2	24205777	""
"736613"	"736613"	"N-[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine"	"NCCCN1CCN(CCCNc2nc3ccccc3c4[nH]c5ccccc5c24)CC1"	0	""	""	2	2	24205778	""
"736624"	"736624"	"Indenoisoquinoline derivative"	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	"TOP1"	""	2	2	17755020	""
"736679"	"736679"	"6-(3-Aminopropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-dio..."	"COc1cccc2C(=O)C3=C(N(CCCN)C(=O)c4cc(ccc34)[N+](=O)[O-])c12"	0	""	""	2	2	16098812	""
"736680"	"736680"	"6-(3-Aminopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-thiom..."	"CSc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	17756083	""
"736681"	"736681"	"6-(3-Bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-sulfo..."	"CS(=O)(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	17755969	""
"736735"	"736735"	"5-(6-methoxy-napht-2-yl)-6-(3,4,5-trimethoxyphenyl)-2H-p..."	"COc1ccc2cc(ccc2c1)C3=C(C(=O)OC=C3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	24205789	""
"736738"	"736738"	"olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxym..."	"CCC(CO)Nc1nc(NCc2ccccc2O)c3ncn(C(C)C)c3n1"	0	""	""	1	1	10067756	"500735477"
"736739"	"736739"	"E2GG, 5,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazol..."	"COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c4[nH]nc(C(C)C)c4n2)cc1"	0	""	""	1	1	16099748	""
"736740"	"736740"	"ortho-topolin riboside"	"OCC1OC(C(O)C1O)n2cnc3c(NCc4ccccc4O)ncnc23"	0	""	""	2	2	13506406	"50868581"
"736753"	"736753"	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-4-androsten-..."	"C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C\C(=C/c5cccc(OCCN6CCOCC6)c5)\C4=O"	0	""	""	1	1	24205793	""
"736754"	"736754"	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidi..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)N5CCCC5)[C@@H]1C\C(=C/c6cccc(OCCN7CCOCC7)c6)\[C@@H]2O"	0	""	""	1	1	24205794	""
"736756"	"736756"	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccc(OCCN6CCOCC6)c5)\[C@@H]2O"	0	""	""	1	1	24205796	""
"736761"	"736761"	"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-5-androstene..."	"CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C\C(=C/c5cccc(OCCN6CCOCC6)c5)\[C@@H]4OC(=O)C)[C@@H]3CC=C2C1"	0	""	""	1	1	24205801	""
"736764"	"736764"	"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolid..."	"C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C\C(=C/c5cccc(OCCCn6ccnc6)c5)\[C@@H]2O"	0	""	""	2	1	24205804	""
"736774"	"736774"	"(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide"	"CCn1c2ccccc2c3cc(\C=C(\C#N)/C(=O)N)ccc13"	0	""	""	2	2	1724503	""
"736780"	"736780"	"(2Z,4E)-2-cyano-5-[4-(diethylamino)phenyl]penta-2,4-dien..."	"CCN(CC)c1ccc(\C=C\C=C(\C#N)/C(=S)N)cc1"	0	""	""	1	1	24205810	""
"736790"	"736790"	"(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one"	"COc1ccc(OC)c(c1)c2nc3sc(C)cn3c2\C=C/4\C(=O)N(C)c5ccc(OC)cc45"	0	""	""	1	1	24205813	""
"736793"	"736793"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	"CN1C(=O)\C(=C\c2c(C)nc3sc(C)cn23)\c4ccccc14"	0	""	""	1	1	24205817	""
"736797"	"736797"	"(3Z)-4-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3cccc(Cl)c23)cc(OC)c1OC"	0	""	""	1	1	24205821	""
"736798"	"736798"	"(3Z)-5-Chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(Cl)cc23)cc(OC)c1OC"	0	""	""	1	1	2338588	""
"736802"	"736802"	"(3Z)-5-Hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(O)cc23)cc(OC)c1OC"	0	""	""	1	1	24205822	""
"736803"	"736803"	"(3Z)-1-Methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(C)c3ccccc23)cc(OC)c1OC"	0	""	""	1	1	5427240	""
"736804"	"736804"	"(3Z)-1-Phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(c3ccccc3)c4ccccc24)cc(OC)c1OC"	0	""	""	1	1	24205823	""
"736805"	"736805"	"STK328353"	"COc1cc(\C=C\2/C(=O)Nc3ccccc23)cc(OC)c1OC"	0	""	""	1	1	964103	""
"736807"	"736807"	"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C\3/C(=O)Nc4ccc(Cl)cc34)c(C)nc2s1"	0	""	""	1	1	24205825	""
"736808"	"736808"	"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3c(C)nc4sc(C)nn34)\c2c1"	0	""	""	2	2	24205826	""
"736811"	"736811"	"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one"	"Cc1nn2c(\C=C\3/C(=O)Nc4ccccc34)c(C)nc2s1"	0	""	""	1	1	24205829	""
"736815"	"736815"	"(3Z)-5-Methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"COc1ccc2NC(=O)\C(=C/c3c(nc4sc(C)cn34)c5ccc(C)cc5)\c2c1"	0	""	""	1	1	24205833	""
"736817"	"736817"	"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one"	"CN1C(=O)\C(=C/c2c(C)nc3sc(C)cn23)\c4cc(Cl)ccc14"	0	""	""	1	1	24205835	""
"736818"	"736818"	"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one"	"CN1C(=O)\C(=C/c2c(C)nc3sc(C)cn23)\c4cc(O)ccc14"	0	""	""	1	1	24205836	""
"736829"	"736829"	"6-(5-Aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2..."	"NCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	16221201	""
"736832"	"736832"	"6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-..."	"NCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	16221320	""
"736870"	"736870"	"?Leptostatin 4? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@H]1OC(=O)C=C[C@@H]1C"	0	""	""	2	1	11670014	""
"736873"	"736873"	"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	17755637	""
"736912"	"736912"	"Ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(CC(C)C)c2c3nc[nH]c3C(=O)C(=O)c12"	0	""	""	1	1	24205837	""
"736913"	"736913"	"Ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c4nc[nH]c4C(=O)C(=O)c13"	0	""	""	1	1	24205838	""
"736914"	"736914"	"Ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c4nc[nH]c4C(=O)C(=O)c13"	0	""	""	1	1	24205839	""
"736915"	"736915"	"Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc4OC(=O)C(=O)n5cnc3c45"	0	""	""	1	1	24205840	""
"736916"	"736916"	"Ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c4nc[nH]c4c(O)c(CN(C)C)c13"	0	""	""	1	1	24205841	""
"736918"	"736918"	"(5-Hydroxy-9,10-dihydro-8H-8,10a-diaza-pentaleno[1,2-a]n..."	"Oc1cc2c(C(=O)c3ccccc3)c4NCCn4c2c5ccccc15"	0	""	""	2	1	24205844	""
"736919"	"736919"	"5,6-Dichloro-1-(4-chlorphenyl)-3a,7a-dicyano-4,7-dihydro..."	"CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	24205845	""
"736920"	"736920"	"5,6-Dichlor-1-(2,4-dichlorbenzyl)-3a,7a-dicyano-4,7-dihy..."	"CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	24205846	""
"736921"	"736921"	"5,6-Dichlor-1-(4-methoxyphenyl)-3a,7a-dicyano-4,7-dihydr..."	"CCOC(=O)C1=C(N(c2ccc(OC)cc2)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O)c4ccccc4"	0	""	""	1	1	24205847	""
"736922"	"736922"	"5,6-Dichlor-1-(2,4-difluorphenyl)-3a,7a-dicyano-4,7-dihy..."	"CCOC(=O)C1=C(C)N(c2ccc(F)cc2F)[C@]3(C#N)C(=C(Cl)C(=C(O)[C@]13C#N)Cl)O"	0	""	""	1	1	24205848	""
"736988"	"736988"	"6-(3-Aminopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN"	0	""	""	2	2	17755854	""
"736989"	"736989"	"?Leptostatin 1? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta..."	"CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C\C[C@@H](C)\C=C(\CC)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C"	0	""	""	2	1	11634200	""
"736992"	"736992"	"5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1cc(cc(OC)c1OC)n2cncc2c3ccc4ccccc4c3"	0	""	""	2	2	24205849	""
"736993"	"736993"	"2-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1cc(cc(OC)c1OC)n2ccnc2c3ccc4ccccc4c3"	0	""	""	2	2	11559546	""
"736994"	"736994"	"1-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole"	"COc1cc(cc(OC)c1OC)c2nccn2c3ccc4ccccc4c3"	0	""	""	2	2	11639084	""
"737018"	"737018"	"1-[(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone"	"COc1ccc(\C=C\2/CC(C)CC3C(N(N=C23)C(=O)C)c4ccc(OC)c(OC)c4)cc1OC"	0	""	""	1	1	24205852	""
"737023"	"737023"	"pyrazol derivatives"	"COc1ccc(\C=C\2/CC(C)CC3C(N(N=C23)c4ccccc4)c5ccc(OC)c(OC)c5)cc1OC"	0	""	""	1	1	24205857	""
"737024"	"737024"	"N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3"	"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N5CCCC5C(=O)NCC(=O)N"	0	""	""	1	1	24205858	""
"737027"	"737027"	"[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH"	"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N4CCCC4C(=O)NCC(=O)N"	0	""	""	1	1	24205861	""
"737028"	"737028"	"[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2..."	"CCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C(=O)CN2CCCC2C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)N4CCCC4C(=O)NC(CO)C(=O)NC(Cc5ccc(O)cc5)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N"	0	""	""	1	1	24205862	""
"737029"	"737029"	"[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg..."	"CCCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CCCCNC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(N)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N5CCCC5C(=O)NCC(=O)N)c6ccccc6"	0	""	""	1	1	24205863	""
"737030"	"737030"	"N'-cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohy..."	"Fc1ccc2[nH]c(C(=O)NN=C3CCCCC3)c(c4ccccc4)c2c1"	0	""	""	1	1	24205864	""
"737064"	"737064"	"N-[3-(Dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide"	"CN(C)CCCNC(=O)c1cc2Nc3c(cnc4ccc(cc34)[N+](=O)[O-])C(=O)c2n1C"	0	""	""	1	1	10320046	""
"737071"	"737071"	"2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1,3-dibromo-6-ox..."	"Clc1ccccc1CN2CCN(CC(=O)NC3CC(=O)c4c(Br)sc(Br)c34)CC2"	0	""	""	1	1	11628604	""
"737073"	"737073"	"N-(1,3-Dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4..."	"Brc1sc(Br)c2C(=O)CC(NC(=O)CCCc3c[nH]c4ccccc34)c12"	0	""	""	1	1	24205884	""
"737076"	"737076"	"(1R,2R,3R,5S,6R,8R,12S)-1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol"	"CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@@](C)(O2)[C@H]3[C@H](O)C[C@](C)(O)[C@@H]3C1"	0	""	""	1	1	54612708	""
"737077"	"737077"	"[(1S,2S,3R,4R,7R,8R,11S,14R,15R,17S)-15-Hydroxy-14-methoxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate"	"CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H](C)C(=O)O[C@@]3(C)CC[C@@H](OC)[C@](C)(O)C[C@@H]4O[C@H]3[C@@H]2[C@@H]14"	0	""	""	1	1	11015858	""
"737078"	"737078"	"[(1S,2S,3R,4R,7R,8R,11S,14R,17S)-14-Hydroperoxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate"	"CCCC(=O)O[C@]1(C)CC[C@H]2[C@@H](C)C(=O)O[C@@]3(C)CC[C@@H](OO)C(=C)C[C@@H]4O[C@H]3[C@@H]2[C@@H]14"	0	""	""	1	1	11037490	""
"737081"	"737081"	"2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol"	"C[C@H]1C[C@@H](C=C(C)C)c2c(C)c(OC3OC(C)C(O)C(O)C3O)c(O)c4[C@@H](C)CC[C@H]1c24"	0	""	""	1	1	24205888	""
"737132"	"737132"	"6-Propyl-2,3-methylenedioxy-8,9-methylenedioxy-11H-inden..."	"CCC[n+]1cc2cc3OCOc3cc2c4Cc5cc6OCOc6cc5c14.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"	0	""	""	2	2	45027902	""
"737147"	"737147"	"2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]n..."	"CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c2cccnc2Nc3ccc(Cl)cc3"	0	""	""	1	1	16126694	""
"737216"	"737216"	"5,6-ethylenediquino[3,2-b"	"C1C[n+]2c3N1c4nc5ccccc5cc4Sc3cc6ccccc26"	0	""	""	1	1	16680184	""
"737222"	"737222"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5ccc(Cl)cc5)n2)cc1"	0	""	""	1	1	24205903	""
"737224"	"737224"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2)cc1"	0	""	""	1	1	24205905	""
"737225"	"737225"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one"	"COc1ccccc1\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2"	0	""	""	1	1	24205906	""
"737226"	"737226"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5occc5)n2)cc1"	0	""	""	1	1	24205907	""
"737227"	"737227"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one"	"Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(cc4)C(=O)\C=C\c5cccs5)n2)cc1"	0	""	""	1	1	24205908	""
"737231"	"737231"	"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(F)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	1	1	24205912	""
"737232"	"737232"	"1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone"	"CC(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(Nc4ccc(F)cc4)n2)cc1"	0	""	""	1	1	24205913	""
"737260"	"737260"	"N-(2-iodylphenyl)-N-methylpivalamide"	"CN(C(=O)C(C)(C)C)c1ccccc1I(=O)=O"	0	""	""	1	1	24205923	""
"737262"	"737262"	"N-benzyl-N-(2-iodylphenyl)acetamide"	"CC(=O)N(Cc1ccccc1)c2ccccc2I(=O)=O"	0	""	""	1	1	24205925	""
"737303"	"737303"	"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid"	"OC(=O)Cn1c2c3ccccc3C(=O)c2c4c(O)cccc14"	0	""	""	1	1	24205927	""
"737318"	"737318"	"6-(3-Chloropropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCCl"	0	""	""	2	2	17756199	""
"737342"	"737342"	"6-(3-Azidopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	17755406	""
"737344"	"737344"	"6-(3-Aminopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	2	2	17755517	""
"737345"	"737345"	"9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,6-dih..."	"COC(=O)OCc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	17755968	""
"737348"	"737348"	"5-bromo-indirubin-3'-oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(Br)cc23)/Nc4ccccc14"	0	""	""	1	1	135580426	""
"737352"	"737352"	"(7E)-5-Methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole"	"COc1cc(\C=C\2/CC(C)CC3C(N(N=C23)c4ccccc4)c5cc(OC)c(OC)c(OC)c5)cc(OC)c1OC"	0	""	""	1	1	24205932	""
"737369"	"737369"	"SC-25"	"CCCCCCCCCC(CCCC(O)CC(=O)O)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3OC4OC(C)C(OC(=O)CC(C)C)C(O)C4O"	0	""	""	1	1	24205941	""
"737375"	"737375"	"6-amino-1,3-di-2-thienyl-5,6-dihydro-4H-cyclopenta[c]thi..."	"NC1CC(=O)c2c(sc(c3cccs3)c12)c4cccs4"	0	""	""	1	1	24205943	""
"737427"	"737427"	"arylpurines"	"Nc1ncnc2c1ncn2Cc3ccc(c(O)c3)C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	24205952	""
"737428"	"737428"	"arylpurines"	"Oc1cc(Cn2cnc3c(Cl)nc(Cl)nc23)ccc1C45CC6CC(CC(C6)C4)C5"	0	""	""	1	1	24205953	""
"737429"	"737429"	"Arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(c(O)c3)C45CC6CC(CC(C6)C4)C5)c2n1"	0	""	""	1	1	24205954	""
"737430"	"737430"	"Arylpurines"	"Nc1ncnc2c1ncn2Cc3ccc(c(OCc4cc(F)c(F)cc4F)c3)C56CC7CC(CC(C7)C5)C6"	0	""	""	1	1	24205955	""
"737431"	"737431"	"Arylpurines"	"Fc1cc(F)c(COc2cc(Cn3cnc4c(Cl)nc(Cl)nc34)ccc2C56CC7CC(CC(C7)C5)C6)cc1F"	0	""	""	1	1	24205956	""
"737432"	"737432"	"Arylpurines"	"Nc1nc(Cl)c2ncn(Cc3ccc(c(OCc4cc(F)c(F)cc4F)c3)C56CC7CC(CC(C7)C5)C6)c2n1"	0	""	""	1	1	24205957	""
"737433"	"737433"	"Arylpurines"	"OC(COc1ccc(F)cc1)Cn2cnc3c(Cl)ncnc23"	0	""	""	1	1	24205958	""
"737453"	"737453"	"1-(2-deoxy-.beta.-d-ribofuranosyl)-5-carbomethoxy-2-pyri..."	"COC(=O)C1=CN(C2CC(O)C(CO)O2)C(=O)N=C1"	0	""	""	2	1	24205959	""
"737518"	"737518"	"Indenoisoquinoline derivative"	"COc1cc2C(=O)N(CCCn3cncn3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	"TOP1"	""	2	2	16090529	""
"737524"	"737524"	"Hydroxybenzoestra-1,3,5(10),16-tetraen-3-ol"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1Cc5ccc(O)cc25"	0	""	""	1	1	24205962	""
"737529"	"737529"	"Bisarylpurines"	"OCCNc1ncnc2c1ncn2Cc3cccc(COc4cccc(OCc5cccc(Cn6cnc7c(NCCO)ncnc67)c5)c4)c3"	0	""	""	1	1	24205965	""
"737606"	"737606"	"DNTOUPQUQYDGOQ-UHFFFAOYSA-N"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCNCC5"	0	""	""	1	1	24205986	""
"737609"	"737609"	"9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CN(C)C"	0	""	""	1	1	24205989	""
"737610"	"737610"	"9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CNCCN(C)C"	0	""	""	1	1	24205990	""
"737613"	"737613"	"6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one"	"COc1ccc2c(c1)C(=O)c3c2c(nc4ccccc34)N5CCN(CC5)C(=O)CCNCCNCCN"	0	""	""	1	1	24205993	""
"737618"	"737618"	"N-([1]Benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine"	"CN(C)CCNc1c2ccccc2nc3oc4ccccc4c13"	0	""	""	1	1	24205997	""
"737668"	"737668"	"6-(3-Azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(cc4C3=O)c5ccccc5"	0	""	""	1	1	17755971	""
"737671"	"737671"	"6-(3-Aminopropyl)-5,6-dihbydro-3-nitro-5,11-dioxo-9-phen..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(cc4C3=O)c5ccccc5)[N+](=O)[O-]"	0	""	""	2	2	17755120	""
"737672"	"737672"	"9-Acetamido-6-(3-bromopropyl)-5,6-dihydro-3-nitro-5,11-d..."	"COc1cc2C(=O)N(CCCBr)C3=C(C(=O)c4cc(NC(=O)C)ccc34)c2cc1OC"	0	""	""	1	1	17755222	""
"737697"	"737697"	"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one"	"Cc1cn2c(\C=C/3\C(=O)Nc4ccc(F)cc34)c(C)nc2s1"	0	""	""	1	1	24206017	""
"737698"	"737698"	"(3Z)-5-Fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(F)cc23)cc(OC)c1OC"	0	""	""	1	1	5829927	""
"737699"	"737699"	"(3Z)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one"	"Cc1cn2c(\C=C\3/C(=O)Nc4ccc(O)cc34)c(nc2s1)c5ccc(Cl)cc5"	0	""	""	1	1	24206018	""
"737700"	"737700"	"(3Z)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one"	"COc1ccc(OC)c(c1)c2nc3sc(C)cn3c2\C=C\4/C(=O)N(C)c5ccccc45"	0	""	""	1	1	24206019	""
"737707"	"737707"	"(3Z)-5-Methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc2\C(=C\c3ccc(Oc4ccccc4)cc3)\C(=O)Nc2cc1C"	0	""	""	1	1	24206022	""
"737732"	"737732"	"Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate"	"COP(=O)(OC)C(NC(c1ccccc1)c2ccccc2)c3ccc4OCOc4c3"	0	""	""	1	1	24206024	""
"737733"	"737733"	"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pheridyl..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ccccn3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	24206025	""
"737734"	"737734"	"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyrimidi..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ncccn3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	24206026	""
"737735"	"737735"	"2-(3-{4-[5-(4-methyl piperazino)-1H-benzo[d]imidazol-2-y..."	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)c4ccc(OCCCN5C(=O)c6cccc7cccc(C5=O)c67)cc4"	0	""	""	2	2	24206027	""
"737736"	"737736"	"N'-(4-Isopropyl-1,1-dioxdido-4H-1,2,4-benzothiadiazin-3-..."	"CC(C)N1C(=NS(=O)(=O)c2ccccc12)NNC(=O)c3cnccn3"	0	""	""	1	1	15955468	""
"737737"	"737737"	"3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,2,4-ben..."	"O=C(N1CCN(CC1)C2=NS(=O)(=O)c3ccccc3N2c4ccccc4)c5ccncc5"	0	""	""	1	1	24206028	""
"737747"	"737747"	"(E)-2-(1,3-Benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile"	"N#C\C(=C/c1ccsc1)\c2oc3ccccc3n2"	0	""	""	1	1	24206036	""
"737749"	"737749"	"(E)-2-(1,3-Benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile"	"N#C\C(=C/c1ccccn1)\c2oc3ccccc3n2"	0	""	""	1	1	24206037	""
"737754"	"737754"	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	"PK:YK,PDGFR,FGFR,KIT,VEGFR"	"FDA approved"	3	3	11525740	"635702646"
"737757"	"737757"	"2-(4-((oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole"	"C(Oc1ccc(\C=C\C2=NCOC2)cc1)C3CO3"	0	""	""	1	1	24206038	""
"737758"	"737758"	"6-chloro-2-methyl-4-phenylquinolin-3-ethyl carboxylate"	"CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3"	0	""	""	1	1	629761	""
"737760"	"737760"	"2-benzoyloxymethyl-1,4-naphthoquinone"	"O=C(OCC1=CC(=O)c2ccccc2C1=O)c3ccccc3"	0	""	""	1	1	24206039	""
"737780"	"737780"	"1-(4-chlorophenyl)-3,3-diphenyl-1'-methylspiro[azetidin-..."	"CN1C(=O)C2(N(C(=O)C2(c3ccccc3)c4ccccc4)c5ccc(Cl)cc5)c6ccccc16"	0	""	""	1	1	16096361	""
"737781"	"737781"	"3-Methoxyestra-1,3,5(10),16(17H)-tetraeno[16,17:1',2']-(..."	"COc1ccc2C3CC[C@@]4(C)C(CC5=CC(COC(=O)C)C6C(C45)C(=O)c7ccccc7C6=O)C3CCc2c1"	0	""	""	1	1	24206044	""
"737793"	"737793"	"2-amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,6,7,8-t..."	"COc1ccc(\C=C\C2C(=C(N)OC3=C2C(=O)CCC3)C#N)cc1"	0	""	""	1	1	24206054	""
"737794"	"737794"	"2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-..."	"COc1ccccc1C2C(=C(N)OC3=C2C(=O)CCC3)C#N"	0	""	""	1	1	3155404	""
"737796"	"737796"	"2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carb..."	"COc1ccccc1C2C(=C(N)Oc3cc(O)ccc23)C#N"	0	""	""	1	1	3505618	""
"737799"	"737799"	"(2Z)-2-amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-..."	"COCC1CCCN1c2ccc(\C=N/C(=C(\N)/C#N)/C#N)cc2"	0	""	""	1	1	24206055	""
"737800"	"737800"	"(2Z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phen..."	"COCC1CCCN1c2ccc(\C=C(\C#N)/C(=S)N)cc2"	0	""	""	1	1	24206056	""
"740008"	"740008"	"4-Chloro-N-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithi..."	"CN(C)N(C1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	24206071	""
"740010"	"740010"	"Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsu..."	"COC(=O)c1cc2c(SC(=NS2(=O)=O)N(N(C)C)S(=O)(=O)c3ccc(Br)s3)cc1Cl"	0	""	""	1	1	24206073	""
"740012"	"740012"	"Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesul..."	"CCOC(=O)c1cc2c(SC(=NS2(=O)=O)N(c3ccc(F)cc3)S(=O)(=O)c4ccc(OC)cc4)cc1Cl"	0	""	""	1	1	24206075	""
"740013"	"740013"	"8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thie..."	"Fc1ccc(cc1)N(C2=NS(=O)(=O)c3cc(C(=O)Oc4cccc5cccnc45)c(Cl)cc3S2)S(=O)(=O)c6ccc(Br)s6"	0	""	""	1	1	24206076	""
"740014"	"740014"	"Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesul..."	"CCOC(=O)c1cc2c(SC(=NS2(=O)=O)N(c3ccc(OC)cc3)S(=O)(=O)c4ccc(Cl)cc4)cc1Cl"	0	""	""	1	1	24206077	""
"740024"	"740024"	"4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,7-di..."	"CC1=NNC(=N)N(C(=C1)C)S(=O)(=O)c2cc(C)c(Cl)cc2SCc3ccccc3"	0	""	""	1	1	24206087	""
"740025"	"740025"	"1,5-bis[(4-amidinophenyl)amino]-3-oxapentane dihydrochlo..."	"NC(=N)c1ccc(NCCOCCNc2ccc(cc2)C(=N)N)cc1"	0	""	""	1	1	24206088	""
"740026"	"740026"	"1,5-bis[4-cyano-2,6-dimetoxyphenoxy]-3-oxapentane"	"COc1cc(cc(OC)c1OCCOCCOc2c(OC)cc(cc2OC)C#N)C#N"	0	""	""	1	1	24206089	""
"740028"	"740028"	"(-)-dactylolide"	"C\C\1=C/[C@@H]2CC(=C)C[C@H](C\C=C\C(=O)C\C(=C/C=C/C(=O)O[C@@H](C1)C=O)\C)O2"	0	""	""	2	2	11222845	""
"740033"	"740033"	"9-Amino-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(N)ccc34)c2cc1OC"	0	""	""	2	2	17755320	""
"740050"	"740050"	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)C(F)(F)F"	0	""	""	1	1	44456733	""
"740051"	"740051"	"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide"	"COc1cc(NC(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F)cc(OC)c1OC"	0	""	""	3	2	24882415	""
"740052"	"740052"	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone"	"COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(nc3Nc4cc(Cl)ccc4C)C(F)(F)F"	0	""	""	1	1	44456732	""
"740053"	"740053"	"ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid"	"C[C@]1(CCC[C@]2(C)C1CC[C@@]34CC(=O)[C@@](CO)(CC[C@@]23O)C4)C(=O)O"	0	""	""	1	1	45027905	""
"740054"	"740054"	"ent-9a,13-dihydroxy-16,17-epoxy-kauran-19-oic acid"	"C[C@]1(CCC[C@]2(C)C1CC[C@@]34C[C@@](O)(CC[C@@]23O)[C@@]5(CO5)C4)C(=O)O"	0	""	""	1	1	45027906	""
"740083"	"740083"	"3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,3,5..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC(=C4c5ccsc5)\C=C\C(=O)c6ccccc6)[C@@H]3CCc2c1"	0	""	""	1	1	45027910	""
"740108"	"740108"	"3,3?-THIENE-2,5-DIYLBIS(5-METHOXY-1H-INDOLE)"	"COc1ccc2[nH]cc(c3ccc(s3)c4c[nH]c5ccc(OC)cc45)c2c1"	0	""	""	2	2	16739281	""
"740109"	"740109"	"3,6-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quinoxalin..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	3	2	23635528	""
"740110"	"740110"	"3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	23635776	""
"740115"	"740115"	"Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-ca..."	"CCOC(=O)c1nc2cc(ccc2[n+]([O-])c1C)C(F)(F)F"	0	""	""	1	1	54612696	""
"740117"	"740117"	"2-furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide"	"[O-][n+]1c(c(nc2cc(Cl)ccc12)C(=O)c3occc3)C(F)(F)F"	0	""	""	1	1	54612695	""
"740119"	"740119"	"N-(4,5-Dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide"	"Cc1oc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)nc1C"	0	""	""	1	1	45027916	""
"740121"	"740121"	"N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-pip..."	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccccc4C(F)(F)F"	0	""	""	2	2	45027918	""
"740122"	"740122"	"N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-pip..."	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4ccc(cc4)C(F)(F)F"	0	""	""	2	2	45027919	""
"740124"	"740124"	"5-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(NC2=O)c3ccc(Cl)cc3"	0	""	""	1	1	44446871	""
"740125"	"740125"	"3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one"	"Clc1ccc(cc1)N2C=C(NC2=O)c3ccc(Cl)c(Cl)c3"	0	""	""	1	1	44446876	""
"740127"	"740127"	"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)c(OC)c3"	0	""	""	2	2	45027922	""
"740128"	"740128"	"3-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1OC)N2C=C(NC2=S)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	24882588	""
"740129"	"740129"	"3-(4-Chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)C2=CN(C(=O)N2)c3ccc(Cl)cc3"	0	""	""	1	1	44446873	""
"740131"	"740131"	"3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1ccc(cc1OC)n2cc(nc2SCc3cccc(c3)C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	45027924	""
"740160"	"740160"	"2-{4-[4-(5-morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]b..."	"O=C1N(CCCCOc2ccc(cc2)c3nc4cc(ccc4[nH]3)N5CCOCC5)C(=O)c6cccc7cccc1c67"	0	""	""	2	2	45027929	""
"740180"	"740180"	"Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate"	"CCOC(=O)N1CCN(CC1)C(=O)c2ccc(nc2Nc3cc(Cl)ccc3C)C(F)(F)F"	0	""	""	1	1	44456786	""
"740181"	"740181"	"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4ccc(F)cc4)C(F)(F)F"	0	""	""	1	1	44456731	""
"740182"	"740182"	"[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)C(F)(F)F"	0	""	""	1	1	44456760	""
"740193"	"740193"	"4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one"	"CC(=O)\C=C\c1cn(C(=O)OC(C)(C)C)c2ccc(Br)cc12"	0	""	""	2	2	45027931	""
"740203"	"740203"	"Methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c4ncccc14"	0	""	""	1	1	13776879	""
"740204"	"740204"	"Methyl 10H-thieno[2,3-a]carbazole-4-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c4sccc14"	0	""	""	1	1	44139294	""
"740239"	"740239"	"5-Amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide"	"Nc1c(cnn1c2ccnc3c(cccc23)C(F)(F)F)C(=O)N\N=C\c4oc(cc4)c5ccc(Cl)cc5"	0	""	""	1	1	45027943	""
"740252"	"740252"	"Ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2ccc(Cl)cc2)c3ccccc3"	0	""	""	1	1	45027953	""
"740253"	"740253"	"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"CCOC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	2	2	45027954	""
"740256"	"740256"	"3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1Cl)N2C=C(NC2=S)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	44446878	""
"740259"	"740259"	"2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	"COc1ccc(cc1)n2cc(nc2SCc3ccccc3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	45027957	""
"740260"	"740260"	"5-Phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(NC2=O)c3ccccc3"	0	""	""	1	1	44446870	""
"740261"	"740261"	"3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one"	"COc1ccc(cc1)C2=CN(C(=O)N2)c3ccc(OC)c(OC)c3"	0	""	""	1	1	44446872	""
"740263"	"740263"	"3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1cc(cc(OC)c1OC)n2cc(nc2SCc3cccc(c3)C#N)c4ccc(Cl)cc4"	0	""	""	1	1	45027958	""
"740264"	"740264"	"3-(3-Chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1Cl)N2C=C(NC2=S)c3ccc(OC)c(OC)c3"	0	""	""	1	1	44446880	""
"740267"	"740267"	"9-Amino-6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(N)ccc34)c2cc1OC"	0	""	""	2	2	17755513	""
"740268"	"740268"	"Indenoisoquinoline derivative"	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCI)[N+](=O)[O-]"	0	"TOP1"	""	2	2	17755638	""
"740269"	"740269"	"6-(7'-tert-BOC-aminoheptyl)-5,6-dihydro-5,11-dioxo-11H-i..."	"CC(C)(C)OC(=O)NCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	16221147	""
"740270"	"740270"	"6-(10'-tert-BOC-aminodecyl)-5,6-dihydro-5,11-dioxo-11H-i..."	"CC(C)(C)OC(=O)NCCCCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	16221318	""
"740272"	"740272"	"6-(3-Aminopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11..."	"CCc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4C(=O)N3CCCN"	0	""	""	1	1	17755519	""
"740275"	"740275"	"5,6-Dihydro-6-(3-morpholinyl-1-propyl)-5,11-dioxo-11H-in..."	"O=C1N(CCCN2CCOCC2)C3=C(C(=O)c4ccccc34)c5ccccc15"	0	""	""	2	2	45027959	""
"740276"	"740276"	"5,6-Dihydro-6-[3-(hydroxyethyl)amino-1-propyl]-5,11-diox..."	"OCCNCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	17755976	""
"740277"	"740277"	"5,6-Dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-9-metho..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNCCO)[N+](=O)[O-]"	0	""	""	2	2	17755974	""
"740345"	"740345"	"3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)"	"Cn1cc(c2cc([nH]n2)c3cn(C)c4ccccc34)c5ccccc15"	0	""	""	1	1	44433919	""
"740353"	"740353"	"2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone"	"COc1ccc(cc1)n2cc(c3cc(OC)c(OC)c(OC)c3)c(C(=O)C(F)(F)F)c2C"	0	""	""	1	1	45027962	""
"740354"	"740354"	"1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone"	"COc1cc(cc(OC)c1OC)c2cn(c(C)c2C(=O)C(F)(F)F)c3ccc(Cl)cc3"	0	""	""	1	1	45027963	""
"740356"	"740356"	"2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole"	"COc1cc(cc(OC)c1OC)n2cc(nc2SCc3ccccc3)c4ccc(F)cc4"	0	""	""	1	1	45027965	""
"740357"	"740357"	"3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile"	"COc1ccc(cc1)n2cc(nc2SCc3cccc(c3)C#N)c4ccc(Cl)c(Cl)c4"	0	""	""	1	1	45027966	""
"740358"	"740358"	"2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole"	"COc1ccc(cc1OC)n2cc(nc2SCc3ccccc3)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	1	45027967	""
"740361"	"740361"	"4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one"	"COc1cc(cc(OC)c1OC)N2C=C(N(C2=O)c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	45027970	""
"740362"	"740362"	"[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone"	"COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccccc3Nc4ccnc(c4)C(F)(F)F"	0	""	""	1	1	45027971	""
"740363"	"740363"	"[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone"	"FC(F)(F)c1cc(Nc2ccccc2C(=O)N3CCN(CC3)c4cccc(Cl)c4)ccn1"	0	""	""	2	1	45027972	""
"740383"	"740383"	"3,7-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quioxaline..."	"[O-][n+]1c(C(=O)c2cccs2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	23635527	""
"740384"	"740384"	"3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	23635282	""
"740385"	"740385"	"7-fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3ccc(F)cc13)C(F)(F)F"	0	""	""	2	2	23635154	""
"740386"	"740386"	"3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2occc2)c([n+]([O-])c3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	2	23635775	""
"740387"	"740387"	"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4..."	"COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1OCCCN3CCN(CC(=O)Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)CC3"	0	""	""	1	1	25030563	""
"740469"	"740469"	"Naphtoindol"	"CC1=C(C#N)C23C(=O)c4ccccc4C(=C2C(=O)C=CC3(O)N1Cc5ccccc5)O"	0	""	""	1	1	45027979	""
"740470"	"740470"	"Indolcarbonsaureester"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c4ccccc4C(=O)C(=O)c13"	0	""	""	1	1	12402873	""
"740475"	"740475"	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]"	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(N3C=CC(=NC3=O)N)C(F)(F)C2O"	0	""	""	2	2	45027980	""
"740476"	"740476"	"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-"	"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N"	0	""	""	2	2	45027981	""
"740488"	"740488"	"Cyclic arylpyrimidine"	"CC1=CN2Cc3ccccc3CN(C2=O)C1=O"	0	""	""	1	1	45027984	""
"740489"	"740489"	"Bisarylpyrimidine"	"CC1=CN(Cc2ccccc2CCl)C(=O)N(Cc3ccccc3CCl)C1=O"	0	""	""	1	1	45027985	""
"740497"	"740497"	"2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine"	"COc1ccc(cc1)c2nc3c(nc(cn3c2c4ccc(OC)cc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	45027989	""
"740504"	"740504"	"5,6-Dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-3-nitro..."	"OCCNCCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)[N+](=O)[O-]"	0	""	""	2	2	17755739	""
"740505"	"740505"	"5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-3-nitro-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCOCC5)[N+](=O)[O-]"	0	""	""	2	2	17755737	""
"740506"	"740506"	"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)N(C)C)c2cc1OC"	0	""	""	2	1	17755515	""
"740507"	"740507"	"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-3-nitro-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCn5ccnc5)[N+](=O)[O-]"	0	""	""	2	2	17755745	""
"740508"	"740508"	"6-(7-amonoheptyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-..."	"NCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	2	2	16221203	""
"740510"	"740510"	"6-(11-aminoundecyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,..."	"NCCCCCCCCCCCN1C(=O)c2ccccc2C3=C1c4ccccc4C3=O"	0	""	""	1	1	16221323	""
"740520"	"740520"	"6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCBr)C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	1	1	17756300	""
"740521"	"740521"	"Indenoisoquinoline derivative"	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN(C)C)[N+](=O)[O-]"	0	"TOP1"	""	3	3	17755743	""
"740524"	"740524"	"6-(3-Azidopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	1	1	17755409	""
"740536"	"740536"	"2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole"	"COc1ccc(cc1Cl)n2cc(nc2SCc3ccccc3)c4ccc(OC)c(OC)c4"	0	""	""	1	1	45027997	""
"740551"	"740551"	"1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-e]pyrimidino[1,..."	"O=C(C1=NN(C2=NC3=NC(=CC(=O)N3N=C12)c4ccccc4)c5ccccc5)c6ccccc6"	0	""	""	1	1	45028001	""
"740552"	"740552"	"1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-..."	"Clc1cccc(c1)N2N=C(C(=O)c3ccccc3)C4=NN5C(=O)C=C(N=C5N=C24)c6ccccc6"	0	""	""	1	1	45028002	""
"740553"	"740553"	"1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-..."	"Clc1ccc(cc1)N2N=C(C(=O)c3ccccc3)C4=NN5C(=O)C=C(N=C5N=C24)c6ccccc6"	0	""	""	1	1	45028003	""
"740555"	"740555"	"10-(2,4-Dichloro-benzyl)-5-hydroxy-4,8,8-trimethyl-7,8,9..."	"CC1=CC(=O)Nc2cc3c(c(O)c12)c4C(=O)CC(C)(C)Cc4n3Cc5ccc(Cl)cc5Cl"	0	""	""	1	1	45028005	""
"740560"	"740560"	"5,10-bis-epi-anamarine"	"C[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)\C=C\[C@@H]1CC=CC(=O)O1"	0	""	""	1	1	45028007	""
"740562"	"740562"	"3-Methoxy-17-hydroxyspiro[estra-1,3,5(10)-triene-16,1'-c..."	"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC5(CCCCC5)[C@@H]4O)[C@@H]3CCc2c1"	0	""	""	1	1	45028008	""
"740563"	"740563"	"6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11..."	"COc1cc2C(=O)N(CCCN=[N+]=[N-])C3=C(C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	17755512	""
"740564"	"740564"	"6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(F)ccc34)c2cc1OC"	0	""	""	2	2	17755624	""
"740602"	"740602"	"Phomopsolide D"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@H]1CC[C@H](O)[C@H](C)O"	0	""	""	2	2	11460721	""
"740603"	"740603"	"Phomopsolide E"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@H]1CCC(=O)[C@H](C)O"	0	""	""	2	1	45028010	""
"740605"	"740605"	"4-Epi-7-oxo-phomopsolide E"	"C\C=C(/C)\C(=O)O[C@@H]1C=CC(=O)O[C@H]1COC(=O)[C@H](C)O"	0	""	""	1	1	11231822	""
"740606"	"740606"	"5-epi-phomopsolide D"	"C\C=C(/C)\C(=O)O[C@H]1C=CC(=O)O[C@@H]1CC[C@H](O)[C@H](C)O"	0	""	""	3	2	45028011	""
"740608"	"740608"	"4-Epi-7-aza-phomopsolide E"	"C\C=C(/C)\C(=O)O[C@@H]1C=CC(=O)O[C@H]1CNC(=O)[C@H](C)O"	0	""	""	2	1	45028013	""
"740609"	"740609"	"5,6-Dihydro-6-(3-morpholinyl-1-propyl)-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN4CCOCC4)C(=O)c2c1)c5ccccc5C3=O"	0	""	""	2	2	17755735	""
"740613"	"740613"	"Imidazole-5-one deri"	"CN1N(C(=O)C(=C1C)N2C(=O)\C(=C/c3ccccc3O)\N=C2c4ccccc4)c5ccccc5"	0	""	""	1	1	26476967	""
"740617"	"740617"	"Imidazole-5-one deri."	"CN(C)c1ccc(\C=C/2\N=C(N(C2=O)C3=C(C)N(C)N(C3=O)c4ccccc4)c5ccccc5)cc1"	0	""	""	2	1	26476961	""
"740618"	"740618"	"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxyb..."	"Oc1ccccc1\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4"	0	""	""	1	1	45028018	""
"740621"	"740621"	"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimeth..."	"COc1ccc(\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4)cc1OC"	0	""	""	1	1	45028021	""
"740623"	"740623"	"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethy..."	"CN(C)c1ccc(\C=C\2/N=C(N(C2=O)c3cc(ccc3Cl)C(F)(F)F)c4ccccc4)cc1"	0	""	""	2	2	45028023	""
"740642"	"740642"	"3-(9-Amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride"	"COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4c(N)c5OCOc5c(OC)c34"	0	""	""	1	1	45028024	""
"740643"	"740643"	"6-(3-Azidopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox..."	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	17756604	""
"740644"	"740644"	"6-(3-Bromopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox..."	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	""	""	1	1	17755846	""
"740645"	"740645"	"Indenoisoquinoline derivative"	"CCOc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	"TOP1"	""	2	2	17755025	""
"740646"	"740646"	"5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN5CCOCC5"	0	""	""	2	2	17755858	""
"740647"	"740647"	"5,6-Dihydro-9-methoxy-6-(3-dimethylamino-1-propyl)-5,11-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCN(C)C"	0	""	""	2	2	17755977	""
"740648"	"740648"	"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCn5ccnc5"	0	""	""	2	2	17755851	""
"740649"	"740649"	"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11..."	"COc1cc2C(=O)N(CCCN)C3=C(C(=O)c4cc(ccc34)[N+](=O)[O-])c2cc1OC"	0	""	""	1	1	17755630	""
"740650"	"740650"	"5,6-Dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-9-metho..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4C(=O)N3CCCNCCO"	0	""	""	2	2	17755741	""
"740792"	"740792"	"fluorobenzofurano[2,3"	"CC12CC[C@H]3[C@@H](CCc4cc5oc6cc(F)ccc6c5cc34)[C@@H]1CCC2O"	0	""	""	1	1	45028028	""
"740799"	"740799"	"Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate"	"COC(=O)c1ccc(NC(=O)Nc2ccc3OC(=O)c4ccccc4c3c2)cc1"	0	""	""	1	1	45028029	""
"740809"	"740809"	"12-Methyl-2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiad..."	"CC1N2C(=Nc3ccccc13)SC(=S)N4CCN=C24"	0	""	""	1	1	45028033	""
"740814"	"740814"	"1,4-Dimethyl-14-oxa-3-dioxothia-tetracyclo[9.2.1.0.0]tet..."	"CC12OC(C)(C=C1)C3C2c4ccccc4S3(=O)=O"	0	""	""	1	1	45028036	""
"740815"	"740815"	"7,20-Dimethoxy-4,12-dioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14,16,18,20-octaene"	"COc1ccc2C3Oc4c(cc(OC)c5ccccc45)C3COc2c1"	0	""	""	1	1	44478252	""
"740816"	"740816"	"3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran"	"COc1ccc2C3Oc4ccc(OC)cc4C3COc2c1"	0	""	""	1	1	45028037	"20390016"
"740817"	"740817"	"6a,11a-dihydro-3-methoxy-6H-benzofuro[3,2-c]chromen-8-ol"	"COc1ccc2C3Oc4ccc(O)cc4C3COc2c1"	0	""	""	1	1	45028038	""
"740825"	"740825"	"(+)-membrenone b"	"CCC(=O)O[C@@H]([C@H](C)[C@H]1OC(=C(C)C(=O)[C@@H]1C)CC)[C@@H](C)C(=O)CC"	0	""	""	1	1	45028040	"152273820"
"740838"	"740838"	"Ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccccc2)c3c1cc(O)c4[nH]c(Cc5ccccc5)nc34"	0	""	""	2	2	45028042	""
"740840"	"740840"	"Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc(O)c4[nH]c(Cc5ccccc5)nc34"	0	""	""	1	1	45028044	""
"740842"	"740842"	"Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate"	"CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c3c1cc4OC(=O)C(=O)n5c(Cc6ccccc6)nc3c45"	0	""	""	1	1	45028046	""
"740844"	"740844"	"4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile"	"COc1ccc(cc1)N2C(=C(C#N)C34C(=O)N(C(=O)C3=C(O)C=CC24O)c5ccccc5)C"	0	""	""	1	1	54746663	""
"740845"	"740845"	"5-[2-(pyridin-2-yl)ethynyl]-6-(3,4,5-trimethoxyphenyl)-2..."	"COc1cc(cc(OC)c1OC)C2=C(C=CC(=O)O2)C#Cc3ccccn3"	0	""	""	2	2	45028049	""
"740846"	"740846"	"6-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1F)C2=C(C=CC(=O)O2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	45028050	""
"740932"	"740932"	"s,s,s-enigmol"	"CCCCCCCCCCCCC[C@H](O)C[C@H](O)[C@H](C)N"	0	NA	NA	1	1	NA	""
"740939"	"740939"	"1X-0886"	"COc1ccc2[nH]cc(\C=C\3/C(=O)Nc4ccccc34)c2c1"	0	""	""	1	1	6516560	""
"740940"	"740940"	"(3Z)-3-(1H-Indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one"	"COc1cc2\C(=C\c3c[nH]c4ccccc34)\C(=O)Nc2cc1C"	0	""	""	1	1	45028054	""
"740963"	"740963"	"IFLab1_001965"	"CSc1ccc(cc1)c2cn3ccsc3n2"	0	""	""	2	2	1497314	""
"740972"	"740972"	"6-(3-Chloropropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)[N+](=O)[O-]"	0	""	""	1	1	17755850	""
"740973"	"740973"	"6-(3-Azidopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])[N+](=O)[O-]"	0	""	""	1	1	17756080	""
"740974"	"740974"	"6-(3-Azidopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCN=[N+]=[N-])C(=O)c2c1)c4ccc(cc4C3=O)C#N"	0	""	""	1	1	17755024	""
"740975"	"740975"	"6-(3-Chloropropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-diox..."	"[O-][N+](=O)c1ccc2C3=C(N(CCCCl)C(=O)c2c1)c4ccc(cc4C3=O)C#N"	0	""	""	1	1	17756602	""
"740988"	"740988"	"1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one"	"COc1cc(cc(OC)c1OC)C2=CN(C(=O)N2c3ccccc3)c4ccc(Cl)cc4"	0	""	""	2	2	45028070	""
"741078"	"741078"	"Selumetinib"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO"	0	"PK:STK,YK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	3	3	10127622	"606143526"
"741083"	"741083"	"4,5,6-tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-..."	"COc1ccccc1N2CCN(CC(O)COc3c(Br)c(Br)c(Br)c4CC(C)(C)Oc34)CC2"	0	""	""	1	1	45028081	""
"741087"	"741087"	"6-(O-ethyl-2?-morpholino)-7-(p-methoxycinnamoyl)-3-methy..."	"COC(=O)c1oc2c(C(=O)\C=C\c3ccc(OC)cc3)c(OCCN4CCOCC4)ccc2c1C"	0	""	""	2	2	45028089	""
"741088"	"741088"	"6-(O-propyl-3?-piperidino)-7-(p-methoxycinnamoyl)-3-meth..."	"COC(=O)c1oc2c(C(=O)\C=C\c3ccc(OC)cc3)c(OCCCN4CCCCC4)ccc2c1C"	0	""	""	2	1	45028091	""
"741096"	"741096"	"N-{2-chloro-5-[(4-chlorophenyl)sulfonyl]phenyl}-2-hydrox..."	"Oc1c(I)cc(I)cc1C(=O)Nc2cc(ccc2Cl)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	2832028	"380309239"
"741106"	"741106"	"6-(3-Aminopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-..."	"COC(=O)c1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN)[N+](=O)[O-]"	0	""	""	2	2	17756089	""
"741107"	"741107"	"6-(3-Aminopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo..."	"NCCCN1C(=O)c2cc(ccc2C3=C1c4ccc(cc4C3=O)C#N)[N+](=O)[O-]"	0	""	""	2	2	17755128	""
"741202"	"741202"	"7,8-Diacetoxy-2,6-dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]qui..."	"CCOC(=O)c1c(C)n2C(=O)C=C(C)c3c(OC(=O)C)c(OC(=O)C)cc1c23"	0	""	""	2	1	45028122	""
"741203"	"741203"	"2-(5,6-Dihydroxy-4-methyl-2-oxo-1,2-dihydro-quinoline-8-..."	"CCOC(=O)\C(=C(\C)/NCC(C)C)\c1cc(O)c(O)c2C(=CC(=O)Nc12)C"	0	""	""	1	1	45028123	""
"741212"	"741212"	"3,3?-(1H-pyrrole-2,5-diyl)bis(5-chloro-1-methyl-1H-indole)"	"Cn1cc(c2ccc([nH]2)c3cn(C)c4ccc(Cl)cc34)c5cc(Cl)ccc15"	0	""	""	1	1	45028129	""
"741236"	"741236"	"N-[2-(Dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	"CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c4ncccc14"	0	""	""	1	1	44139298	""
"741237"	"741237"	"8-Chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide"	"CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c4ncccc14"	0	""	""	1	1	44139299	""
"741287"	"741287"	"6-(phenylethynyl)-5-(3,4,5-trimethoxyphenyl)-2H-pyran-2-one"	"COc1cc(cc(OC)c1OC)C2=C(OC(=O)C=C2)C#Cc3ccccc3"	0	""	""	1	1	45028146	""
"741288"	"741288"	"6-(phenylethynyl)-5-[(3,4,5-trimethoxyphenyl)ethynyl]-2H..."	"COc1cc(cc(OC)c1OC)C#CC2=C(OC(=O)C=C2)C#Cc3ccccc3"	0	""	""	2	1	45028147	""
"741289"	"741289"	"5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,4,5-trimetho..."	"COc1ccc(cc1O)C#CC2=C(OC(=O)C=C2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45028148	""
"741290"	"741290"	"5-(3-hydroxy-4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)..."	"COc1ccc(cc1O)C2=C(OC(=O)C=C2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45028149	""
"741291"	"741291"	"6-(3-hydroxy-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)..."	"COc1ccc(cc1O)C2=C(C=CC(=O)O2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45028150	""
"741292"	"741292"	"6-(3-hydroxy-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1O)C2=C(C=CC(=O)O2)C#Cc3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	45028151	""
"741293"	"741293"	"5-(3-hydroxy-4-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1O)C2=C(OC(=O)C=C2)C#Cc3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45028152	""
"741296"	"741296"	"2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one"	"NN1C(=O)c2c(N=C1c3ccc(Cl)cc3)c(nc4ccc(Cl)cc24)c5ccc(Cl)cc5"	0	""	""	1	1	16126264	""
"741299"	"741299"	"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)cc3"	0	""	""	2	2	45028154	""
"741300"	"741300"	"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccc(OC)c(OC)c3"	0	""	""	2	2	45028155	""
"741321"	"741321"	"TRIAZOLOTHIADAIZOLES"	"COc1ccc(cc1)c2nn3c(nnc3s2)c4cc(F)c(Cl)cc4Cl"	0	""	""	1	1	24744454	""
"741337"	"741337"	"N2-[2-(3,5-Dimethoxy-phenyl)-ethyl]-3-phenyl-quinoxaline..."	"COc1cc(CCNc2nc3cc(N)cc(N)c3nc2c4ccccc4)cc(OC)c1"	0	""	""	1	1	45028164	""
"741340"	"741340"	"12-Benzyl-6-dimethylamino-12H-indeno[2',1':4,5]pyrrolo[3..."	"CN(C)c1nc2ccccc2c3c1c4C(=O)c5ccccc5c4n3Cc6ccccc6"	0	""	""	1	1	45028167	""
"741354"	"741354"	"3-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione"	"COc1ccc(cc1OC)C2=CN(C(=S)N2)c3ccc(Cl)cc3"	0	""	""	1	1	44446879	""
"741364"	"741364"	"6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(nc(N3CCOCC3)c2C#N)c4ccc(cc4)N(C)C"	0	""	""	2	2	45028178	""
"741402"	"741402"	"2-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dienyl..."	"CCCCCCCC\C(=C/C1=C(C)C(=O)C(=C(OC)C1=O)OC)\C(=O)O"	0	""	""	1	1	45028184	""
"741412"	"741412"	"4-(5'-bromofuran-2'-yl)-3-bromo-but-3-en-2-one"	"CC(=O)\C(=C\c1oc(Br)cc1)\Br"	0	""	""	2	2	45028185	""
"741425"	"741425"	"3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4ccc(cc14)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	23635411	""
"741428"	"741428"	"Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-y..."	"[O-][n+]1c(C(=O)c2occc2)c(nc3ccc(cc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	23635780	""
"741431"	"741431"	"Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-..."	"Cc1ccc2c(c1)nc(C(=O)c3occc3)c([n+]2[O-])C(F)(F)F"	0	""	""	1	1	54612671	""
"741433"	"741433"	"(1,4-Dioxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-naph..."	"[O-][n+]1c(C(=O)c2ccc3ccccc3c2)c([n+]([O-])c4cc(ccc14)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	23635412	""
"741437"	"741437"	"3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide"	"[O-][n+]1c(C(=O)c2ccccc2)c([n+]([O-])c3cc(ccc13)C(F)(F)F)C(F)(F)F"	0	""	""	2	1	23635283	""
"741440"	"741440"	"3,3?-furan-2,5-diylbis(5-methoxy-1-methyl-1H-indole)"	"COc1ccc2c(c1)c(cn2C)c3oc(cc3)c4cn(C)c5ccc(OC)cc45"	0	""	""	1	1	45028187	""
"741458"	"741458"	"1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propo..."	"COc1ccccc1N2CCN(CCCOc3ccc(cc3)C(=O)\C=C/4\C(=O)Nc5ccccc45)CC2"	0	""	""	2	2	45028190	""
"741459"	"741459"	"(11aS)-8-(3-[(11aS)-2,2-difluoro-7-methoxy-5-oxo-2,3,5,1..."	"COc1cc2C(=O)N3CC(F)(F)C[C@H]3C=Nc2cc1OCCCOc4cc5N=C[C@@H]6CC(F)(F)CN6C(=O)c5cc4OC"	0	""	""	2	2	24780427	""
"741463"	"741463"	"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazep..."	"O=C(CCN1CCCN(CC1)c2cnc3ccccc3n2)c4csc5ccccc45"	0	""	""	1	1	45028192	""
"741567"	"741567"	"CGP 57380"	"Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12"	0	""	""	1	1	11644425	"522629089"
"741584"	"741584"	"N2-(3,4-Dichloro-benzyl)-3-phenyl-quinoxaline-2,5,7-tria..."	"Nc1cc(N)c2nc(c(NCCc3ccc(Cl)c(Cl)c3)nc2c1)c4ccccc4"	0	""	""	1	1	45028195	""
"741594"	"741594"	"2-Bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline"	"CN(C)c1ccc(cc1Br)c2cn3cc(C)ccc3n2"	0	""	""	1	1	24756574	""
"741604"	"741604"	"Biphenylpurine"	"ClCc1ccc(cc1)c2ccc(Cn3cnc4c(Cl)nc(Cl)nc34)cc2"	0	""	""	1	1	45028198	""
"741615"	"741615"	"1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one"	"O=C1Nc2ccccc2N1c3n[nH]c4ccccc34"	0	""	""	1	1	23279830	""
"741620"	"741620"	"Ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate"	"CCCC(=O)NNc1[nH]c(cc1C(=O)OCC)c2ccc(OC)cc2"	0	""	""	1	1	42597063	""
"741638"	"741638"	"Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate"	"COC(=O)\C(=C\c1c[nH]c2ccc(Br)cc12)\Br"	0	""	""	1	1	45028205	""
"741695"	"741695"	"2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine"	"C(CCCOc1ccc(cc1)C#Cc2ccccc2C#Cc3ccccn3)CCOc4ccc(cc4)C#Cc5ccccc5C#Cc6ccccn6"	0	""	""	2	2	25198629	""
"741738"	"741738"	"1-(7-Methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,..."	"COc1ccc2c(c1)[n+]([O-])c(C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)c(C)[n+]2[O-]"	0	""	""	1	1	54612660	""
"741739"	"741739"	"1-(7-Chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5..."	"COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])cc(OC)c1OC"	0	""	""	1	1	54612661	""
"741745"	"741745"	"1,7-bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1(E)-heptadi..."	"CC1=C(\C=C\C(=O)CC(=O)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1"	0	""	""	1	1	45028209	""
"741769"	"741769"	"(3Z)-3-[[6-(2-Bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"COc1cc(c(Br)c(OC)c1OC)c2nc3sc(C)cn3c2\C=C\4/C(=O)Nc5ccccc45"	0	""	""	1	1	45028217	""
"741773"	"741773"	"(3Z)-5-Bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one"	"COc1cc2c(\C=C\3/C(=O)Nc4ccc(Br)cc34)c(Cl)n(C)c2cc1C"	0	""	""	2	2	45028220	""
"741774"	"741774"	"(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one"	"COc1cc2c(\C=C/3\C(=O)Nc4ccc(O)cc34)c(Cl)n(Cc5cc(OC)c(OC)c(OC)c5)c2cc1C"	0	""	""	2	2	45028221	""
"741776"	"741776"	"Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide"	"CCCOC(=O)c1c(C)[n+](C)c2sccn12"	0	""	""	1	1	10499110	""
"741799"	"741799"	"(3E)-3-[[6-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one"	"Cc1nc2sccn2c1c3nc4sccn4c3\C=C/5\C(=O)Nc6ccccc56"	0	""	""	1	1	45028236	""
"741850"	"741850"	"Acyclic trans-Butenebispurine"	"Clc1nc(Cl)c2ncn(C\C=C\Cn3cnc4c(Cl)nc(Cl)nc34)c2n1"	0	""	""	1	1	45028237	""
"741852"	"741852"	"Acyclic cis-butenebispurine"	"Clc1nc(Cl)c2c(ncn2C\C=C/Cn3cnc4c(Cl)nc(Cl)nc34)n1"	0	""	""	1	1	45028239	""
"741853"	"741853"	"Acyclic Butynebispurine"	"Clc1nc(Cl)c2ncn(CC#CCn3cnc4c(Cl)nc(Cl)nc34)c2n1"	0	""	""	1	1	45028240	""
"741898"	"741898"	"4-(2-pyridinyl)-5H-1,2,3-dithiazole-5-thione"	"S=C1SSN=C1c2ccccn2"	0	""	""	2	2	25181424	""
"741899"	"741899"	"BML-277"	"NC(=O)c1ccc2[nH]c(nc2c1)c3ccc(Oc4ccc(Cl)cc4)cc3"	0	"PK:CHEK,CHEK2"	"Clinical trial"	3	2	9969021	"516480798"
"741908"	"741908"	"1-(3-chlorobenzyl)-1h-indole-3-carbaldehyde"	"Clc1cccc(Cn2cc(C=O)c3ccccc23)c1"	0	""	""	2	2	775540	"90815013"
"741909"	"741909"	"1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-"	"OCc1cn(Cc2ccc(Cl)cc2)c3ccccc13"	0	""	""	3	3	11821732	"92407915"
"741910"	"741910"	"2,2'-[1,5-pentanediylbis(oxy-1,4-phenylene)]bis-1H-benzi..."	"C(CCOc1ccc(cc1)c2nc3ccccc3[nH]2)CCOc4ccc(cc4)c5nc6ccccc6[nH]5"	0	""	""	2	2	25010379	""
"741911"	"741911"	"2,2'-[1,5-pentanediylbis(oxy-1,3-phenylene)]bis-1H-benzi..."	"C(CCOc1cccc(c1)c2nc3ccccc3[nH]2)CCOc4cccc(c4)c5nc6ccccc6[nH]5"	0	""	""	1	1	25255579	""
"741916"	"741916"	"4,4'-[N-(2-iminoethylene) N-methyl imino)benzenecarboxim..."	"CN(CCNc1ccc(cc1)C(=N)N)c2ccc(cc2)C(=N)N"	0	""	""	1	1	45028251	""
"741940"	"741940"	"N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	"COc1cc(cc(OC)c1OC)C2=NNC(C2)c3ccc(cc3)N(C)C"	0	""	""	1	1	45028258	""
"741942"	"741942"	"5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1cccc(c1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	45028260	""
"741943"	"741943"	"N,N-Diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline"	"CCN(CC)c1ccc(cc1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45028261	""
"742018"	"742018"	"illudin m linked to \"fleximer\""	""	0	NA	NA	2	1	NA	""
"742020"	"742020"	"Ethoxycurcumin trithiadiazolaminomethylcarbonte"	"CCOc1cc(\C=C\C(=O)C(C(=O)CNc2nnc(C)s2)C(=O)\C=C\c3ccc(OC(=O)CNc4nnc(C)s4)c(OCC)c3)ccc1OC(=O)CNc5nnc(C)s5"	0	""	""	2	2	45028266	""
"742022"	"742022"	"curcumin tri trithiadiazolaminoethylcarbonate"	"COc1cc(\C=C\C(=O)C(C(=O)CCNc2nnc(C)s2)C(=O)\C=C\c3ccc(OC(=O)CCNc4nnc(C)s4)c(OC)c3)ccc1OC(=O)CCNc5nnc(C)s5"	0	""	""	2	1	45028268	""
"742027"	"742027"	"1,7-bis(4-(N,N-diethylaminoethylaminoacetyloxy)-3-ethoxy..."	"CCOc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC(=O)CNCCN(CC)CC)c(OCC)c2)ccc1OC(=O)CNCCN(CC)CC"	0	""	""	1	1	45028273	""
"742033"	"742033"	"methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-..."	"COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4nc5ccccc5cc4CO"	0	""	""	1	1	23584224	""
"742035"	"742035"	"Methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate"	"COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4nc5cc(N(S(=O)(=O)c6ccc(C)cc6)S(=O)(=O)c7ccc(C)cc7)c(OC)cc5cc4CO"	0	""	""	1	1	45028275	""
"742036"	"742036"	"Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-7-methoxy-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate"	"COC(=O)c1cc2c3ccccc3n4C(=O)c5cc6cc(OC)c(cc6nc5c(n1)c24)N(S(=O)(=O)c7ccc(C)cc7)S(=O)(=O)c8ccc(C)cc8"	0	""	""	1	1	45028276	""
"742037"	"742037"	"Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate"	"COC(=O)c1cc2c3ccccc3n4Cc5c(O)c6ccccc6nc5c(n1)c24"	0	""	""	1	1	45028277	""
"742066"	"742066"	"6-(4-Methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cc(Cl)cc(Cl)c4Cl"	0	""	""	2	2	24874170	""
"742071"	"742071"	"6-(4-Chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine"	"Clc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cc(Cl)cc(Cl)c4Cl"	0	""	""	1	1	24874046	""
"742088"	"742088"	"Aminothiadiazines"	"COc1ccc(NC2=Nn3c(SC2)nnc3c4cc(F)c(Cl)cc4Cl)cc1"	0	""	""	1	1	135550831	""
"742096"	"742096"	"Hydroxy pyrazolines"	"COc1ccc(cc1OC)C2=NN(C(=O)COc3ccc(Cl)cc3)C(O)(C2)c4cc(F)c(Cl)cc4Cl"	0	""	""	2	2	16111793	""
"742146"	"742146"	"Bisarylpurine"	"Clc1nc(Cl)c2ncn(Cc3ccc(COc4cccc(OCc5ccc(Cn6cnc7c(Cl)nc(Cl)nc67)cc5)c4)cc3)c2n1"	0	""	""	1	1	45028308	""
"742149"	"742149"	"Bisarylpurine"	"Clc1nc(Cl)c2ncn(Cc3cccc(COc4cccc(OCc5cccc(Cn6cnc7c(Cl)nc(Cl)nc67)c5)c4)c3)c2n1"	0	""	""	1	1	45028311	""
"742150"	"742150"	"Terpyridine platinum(II) purine complex, tetrafluorobora..."	"Nc1c2ncn(C\C=C\CO)c2nc[n+]1[Pt+2]34[n+]5ccccc5c6cccc(c7cccc[n+]37)[n+]46.[F-][B+3]([F-])([F-])[F-]"	0	NA	NA	1	1	NA	""
"742219"	"742219"	"1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]..."	"FC(F)(F)c1cccc(c1)c2[nH]ncc2c3nnnn3c4ccccc4"	0	""	""	1	1	135659246	""
"742222"	"742222"	"3-Amino-6-(3-chloropropyl)-5,6-dihydro-9-methoxy-5,11-di..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(N)cc4C(=O)N3CCCCl"	0	""	""	2	1	45028325	""
"742253"	"742253"	"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dimethoxyqu..."	"COc1cc(NC(C)CCCN)c2nccc(C)c2c1OC"	0	""	""	1	1	45028339	""
"742254"	"742254"	"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dihydroxyqu..."	"CC(CCCN)Nc1cc(O)c(O)c2c(C)ccnc12"	0	""	""	1	1	135492375	""
"742256"	"742256"	"8-(4-Amino-1-methylbutyl)amino-2-methyl-5,6-dihydroxyqui..."	"CC(CCCN)Nc1cc(O)c(O)c2ccc(C)nc12"	0	""	""	2	2	135958398	""
"742258"	"742258"	"N1-[ 4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinaz..."	"Clc1ccc(NC(=O)CN2CCN(CC2)c3ncnc4ccccc34)c(c1)C(=O)c5ccccc5Cl"	0	""	""	2	2	25030791	""
"742259"	"742259"	"N1-(9H-9-fluorenyl)-2-amino-4-(benyloxy)-5-methoxy benza..."	"COc1cc(C(=O)NC2c3ccccc3c4ccccc24)c(N)cc1OCc5ccccc5"	0	""	""	2	2	25014686	""
"742293"	"742293"	"(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy-7-me..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCOc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	2	1	45028353	""
"742294"	"742294"	"(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]b..."	"COc1cc(ccc1OCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)c5nc6ccccc6s5"	0	""	""	2	1	45028354	""
"742295"	"742295"	"(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentyloxy)..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCOc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	2	1	45028355	""
"742296"	"742296"	"(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]..."	"COc1cc(ccc1OCCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)c5nc6ccccc6s5"	0	""	""	2	2	24881122	""
"742306"	"742306"	"1,6-Dimethoxyphenanzine di-N-oxide"	"COc1cccc2c1[n+]([O-])c3cccc(OC)c3[n+]2[O-]"	0	""	""	1	1	15957527	"13925116"
"742307"	"742307"	"1,6-Dimethoxyphenazine mono-N-oxide"	"COc1cccc2c1nc3cccc(OC)c3[n+]2[O-]"	0	""	""	1	1	15957526	"13925105"
"742308"	"742308"	"1-Piperidinecarboxamide, N-(1,2-ethanediyl)-4-[[[10-(4-c..."	"Clc1ccc(NC2=CC3=Nc4ccccc4N(C3=C/C/2=N\CC5CCN(CC5)C(=O)N6CC6)c7ccc(Cl)cc7)cc1"	0	""	""	2	2	15957528	""
"742327"	"742327"	"(3-Difluoromethyl-6,7-dimethyl-1,4-dioxy-quinoxalin-2-yl..."	"Cc1cc2c(cc1C)[n+]([O-])c(C(=O)c3ccccc3)c(C(F)F)[n+]2[O-]"	0	""	""	1	1	54612713	""
"742343"	"742343"	"6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-dimethylamino..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCCl)N(C)C"	0	""	""	1	1	45028367	""
"742344"	"742344"	"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-dimethylamino-..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN=[N+]=[N-])N(C)C"	0	""	""	1	1	45028368	""
"742345"	"742345"	"3-Amino-6-(3-azidopropyl)-5,6-dihydro-9-methoxy-5,11-dio..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccc(N)cc4C(=O)N3CCCN=[N+]=[N-]"	0	""	""	1	1	45028369	""
"742350"	"742350"	"peptide ptd"	"NCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O"	0	""	""	1	1	45028373	""
"742380"	"742380"	"cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)"	"NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3ccccc3)CNC(=O)[C@H](Cc4ccccc4)NC1=O"	0	"HDAC"	""	2	1	16083382	""
"742384"	"742384"	"deca-n-(s)-1-phenyl ethyl b-ala"	"CC(NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)[C@H](C)c1ccccc1)[C@H](C)c2ccccc2)[C@H](C)c3ccccc3)[C@H](C)c4ccccc4)[C@H](C)c5ccccc5)[C@H](C)c6ccccc6)[C@H](C)c7ccccc7)[C@H](C)c8ccccc8)[C@H](C)c9ccccc9)c%10ccccc%10"	0	""	""	2	2	45028382	""
"742410"	"742410"	"5- fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine"	"NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OC3CC(OC3CO)N4C=C(F)C(=O)NC4=O)C(O)(C#C)C2O"	0	""	""	2	2	45028394	""
"742412"	"742412"	"N1-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(11aS)-7-methoxy..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCC(=O)Nc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	1	1	45028395	""
"742413"	"742413"	"Prodigiosine methyl ketone"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)C)c3ccc[nH]3"	0	""	""	2	2	135540840	""
"742414"	"742414"	"C4 ester, carbonyl adjacent to prodigiosine, HCl salt"	"COC(=O)CCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135540853	""
"742415"	"742415"	"C2 carbonyl plus ester, prodigiosine"	"COC(=O)CCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135540843	""
"742416"	"742416"	"C4, carbonyl, ethyl prodigiosine"	"CCc1c(C)c(\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)OC)[nH]c1c3ccc[nH]3"	0	""	""	2	2	135540855	""
"742417"	"742417"	"C8, carbonyl prodigiosine"	"COC(=O)CCCCCCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135540857	""
"742418"	"742418"	"Ethyl, methoxy, prodigisine"	"CCC1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135829283	""
"742419"	"742419"	"bare prodigiosine"	"COc1cc([nH]c1\C=C/2\C=CC=N2)c3ccc[nH]3"	0	""	""	2	2	135829284	""
"742420"	"742420"	"ethylester prodigiosine"	"CCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	135540850	""
"742543"	"742543"	"Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-met..."	"Cc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	""	""	2	1	15813981	"192653864"
"742544"	"742544"	"Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-chl..."	"Clc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	""	""	2	2	19610848	"110178308"
"742550"	"742550"	"5H-Imidazo[2,1-a]isoindole, 5-(2,4-dichlorophenyl)-"	"Clc1ccc(C2c3ccccc3c4nccn24)c(Cl)c1"	0	""	""	2	2	12908673	"81450604"
"742553"	"742553"	"Pyrido[2',3':4,5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,..."	"COCCOCCOCCOCCOc1ccc2N3C(=O)c4cccnc4N=C3C(=O)c2c1"	0	""	""	1	1	45028403	""
"742554"	"742554"	"bas100 monohydrate"	"C\C(=C/COc1c2CCOc2cc3OC4(OC(CC\C(=C\COc5c6C=CC(=O)Oc6cc7occc57)\C)C(C)(C)O4)C=Cc13)\CCC(O)C(C)(C)O"	0	""	""	1	1	45028404	""
"742611"	"742611"	"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(n4)C(F)(F)F"	0	"HDAC"	""	1	1	45028413	""
"742621"	"742621"	"4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(cc1)n2ncc3c(Nc4ccccc4)ncnc23"	0	""	""	1	1	42612133	""
"742629"	"742629"	"Ethylenediaminetetraacetic acid bis-(5-amino salicylic a..."	"COC(=O)c1cc(NC(=O)CN(CCN(CC(=O)O)CC(=O)Nc2ccc(O)c(c2)C(=O)OC)CC(=O)O)ccc1O"	0	""	""	1	1	10077122	""
"742790"	"742790"	"3,5-dimethyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyr..."	"CN1N=Nc2c(N(C)C1=O)n(nc2C(F)(F)F)c3ccccc3"	0	""	""	2	1	25148595	""
"742792"	"742792"	"N-1H-indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxa..."	"Cc1n[nH]c(C(=O)Nc2n[nH]c3ccccc23)c1[N+](=O)[O-]"	0	""	""	2	1	45028419	""
"742793"	"742793"	"1-[(3-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazo..."	"Cc1n[nH]c(C(=O)n2nc(N)c3ccccc23)c1[N+](=O)[O-]"	0	""	""	2	1	45028420	""
"742794"	"742794"	"1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea"	"Brc1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1"	0	""	""	2	2	25197647	""
"742796"	"742796"	"1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-y..."	"Fc1ccc(cc1NC(=O)Nc2n[nH]c3ccccc23)C(F)(F)F"	0	""	""	1	1	25197520	""
"742797"	"742797"	"1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea"	"FC(F)(F)Oc1ccccc1NC(=O)Nc2n[nH]c3ccccc23"	0	""	""	1	1	25197926	""
"742798"	"742798"	"1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea"	"COc1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1"	0	""	""	1	1	25197519	""
"742799"	"742799"	"3-amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide"	"Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccccc14"	0	""	""	1	1	25197651	""
"742801"	"742801"	"3-amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide"	"CCCCOc1ccc(NC(=O)n2nc(N)c3ccccc23)cc1"	0	""	""	2	2	25199443	""
"742803"	"742803"	"3-amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide"	"COc1ccccc1NC(=O)n2nc(N)c3ccccc23"	0	""	""	2	2	25197780	""
"742804"	"742804"	"3-amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carbo..."	"Nc1cc(c2ccccc2)n(n1)C(=O)Nc3ccc(Oc4ccccc4)cc3"	0	""	""	1	1	45028421	""
"742825"	"742825"	"N-[2-(4-chloroanilino)-1-methyl-2-oxoethoxy]-3,5-bis(tri..."	"CC(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc2ccc(Cl)cc2"	0	""	""	2	1	2726015	""
"742838"	"742838"	"SMA-838 (HCl salt of NSC 188491)"	"NNc1c(C(=O)N)c2c(N)ncnc2n1C3OC(CO)C(O)C3O"	0	""	""	2	2	45028430	"164932836"
"742840"	"742840"	"4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	"COc1ccc(cc1)c2csc(n2)c3cc(Cl)cc(Cl)c3Cl"	0	""	""	1	1	24814781	""
"742842"	"742842"	"4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole"	"Clc1cc(Cl)c(Cl)c(c1)c2nc(cs2)c3cccnc3"	0	""	""	1	1	24814783	""
"742849"	"742849"	"N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxa"	"CCCCCCCCCCCCOC1C(CNC(=O)C2OC3OC(C)(C)OC3C2NC(=O)CN4CCN(CC4)c5ccccn5)OC6OC(C)(C)OC16"	0	""	""	2	1	45028435	""
"742851"	"742851"	"[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C(O)CO)C4OC(C)(C)OC34)OC(=O)Nc5ccccc5"	0	""	""	2	2	45028437	""
"742853"	"742853"	"1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea"	"CCCCCCCCCCCCOC1C(CNCC2OC3OC(C)(C)OC3C2NC(=O)Nc4ccc(cc4)C(F)(F)F)OC5OC(C)(C)OC15"	0	""	""	2	2	45028439	""
"742855"	"742855"	"1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C4COC(C)(C)O4)C5OC(C)(C)OC35)NC(=O)NS(=O)(=O)c6ccccc6"	0	""	""	2	2	45028441	""
"742856"	"742856"	"4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoyla"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C4COC(C)(C)O4)C5OC(C)(C)OC35)NC(=O)Nc6ccc(cc6)C(=O)O"	0	""	""	1	1	45028442	""
"742857"	"742857"	"1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylu"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(COC3OC(C(O)CN4CCCCC4)C5OC(C)(C)OC35)NC(=O)Nc6ccccc6"	0	""	""	3	1	45028443	""
"742860"	"742860"	"N-[3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide"	"CCCCCCCCCCCCOC1C(OC2OC(C)(C)OC12)C(CC(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)NS(=O)(=O)c6cc(Cl)cc(Cl)c6"	0	""	""	2	2	45028446	""
"742884"	"742884"	"2-(Nitromethyl)-2-cyclohepten-1-one"	"[O-][N+](=O)CC1=CCCCCC1=O"	0	""	""	1	1	11095045	"113526106"
"742906"	"742906"	"4-Amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide"	"CCCN1C(=S)SC(=C1N)C(=O)N\N=C(\C)/c2oc3c(OC)cccc3c2"	0	""	""	1	1	45028462	""
"742925"	"742925"	"2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile"	"Nc1oc(cc1C#N)c2oc3ccccc3c2"	0	""	""	1	1	45028480	""
"742939"	"742939"	"LS-39903"	"O=C1Oc2c([nH]c3c2ccc4cnccc34)c5ccccc15"	0	""	""	1	1	199848	""
"742946"	"742946"	"3-(4-fluorophenyl)-2,5-dihydro-2-oxopyrano[3,2-c]chromen..."	"CC(=O)OC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccc(F)cc4"	0	""	""	1	1	45028495	""
"742947"	"742947"	"5-hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-..."	"COc1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4O"	0	""	""	1	1	45028496	""
"742949"	"742949"	"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-2,5-dihydro-..."	"CN(C)c1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4OC(=O)C"	0	""	""	1	1	45028498	""
"742950"	"742950"	"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyr..."	"CN(C)c1ccc2C=C(C(=O)Oc2c1)C3=CC4=C(OC3=O)c5ccccc5OC4O"	0	""	""	1	1	45028499	""
"743045"	"743045"	"(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-diphenyloxolan-3-ol"	"CCSC[C@@H]1C[C@@](O)([C@H](O1)c2ccccc2)c3ccccc3"	0	""	""	3	2	45028501	""
"743047"	"743047"	"(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-bis(4-fluorophenyl)oxolan-3-ol"	"CCSC[C@@H]1C[C@@](O)([C@H](O1)c2ccc(F)cc2)c3ccc(F)cc3"	0	""	""	2	1	24901217	""
"743061"	"743061"	"4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride"	"CN(CCN1CCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	3	1	45028511	""
"743063"	"743063"	"4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride"	"CN(CCCN1CCCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	1	1	45028514	""
"743065"	"743065"	"2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CC(C)N(CCCN(C)C)Cc1cc(I)cc(C)c1O"	0	""	""	1	1	45028517	""
"743066"	"743066"	"2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(C)CCN(C)Cc1cc(I)cc(C)c1O"	0	""	""	2	2	45028519	""
"743067"	"743067"	"2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(C)CCNCc1cc(I)cc(C)c1O"	0	""	""	2	2	45028521	""
"743071"	"743071"	"2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CCN(CCCN(C)C)Cc1cc(I)cc(C)c1O"	0	""	""	1	1	45028529	""
"743072"	"743072"	"2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CCCN(CCC)CCCNCc1cc(I)cc(C)c1O"	0	""	""	1	1	45028531	""
"743073"	"743073"	"2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride"	"CN(CCCN1CCCCCCC1)Cc2cc(I)cc(C)c2O"	0	""	""	2	1	45028533	""
"743102"	"743102"	"n-(p-fluorobenzoyl)-paclitaxel"	"COC(=O)[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccc(F)cc6)c7ccccc7)C(=C1C5(C)C)C"	0	""	""	2	2	45028539	""
"743120"	"743120"	"1N-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{ [2-tert-bu..."	"CC(C)(C)c1cn2cccc(C(=O)N3CCN(CC(=O)Nc4ccc(Cl)cc4C(=O)c5ccccc5Cl)CC3)c2n1"	0	""	""	1	1	25030564	""
"743121"	"743121"	"(11aS)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propo..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	45028540	""
"743122"	"743122"	"N1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCN4CCN(CC(=O)Nc5ccc(Cl)cc5C(=O)c6ccccc6Cl)CC4"	0	""	""	2	2	45028541	""
"743134"	"743134"	"N1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCN4CCN(CC(=O)Nc5ccc(Cl)cc5C(=O)c6ccccc6Cl)CC4"	0	""	""	2	2	45028547	""
"743135"	"743135"	"(11aS)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pent..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	45028548	""
"743185"	"743185"	"1,4-bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane"	"COc1c(OCCCCOc2c(OC)c3occc3c(OC)c2C(=O)C)c(C(=O)C)c(OC)c4ccoc14"	0	""	""	2	1	10239474	""
"743186"	"743186"	"5,5'-difluoro-3,3'-dithiobisindole"	"Fc1ccc2[nH]cc(SSc3c[nH]c4ccc(F)cc34)c2c1"	0	""	""	1	1	45028549	""
"743215"	"743215"	"1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,6-dimethyl-2..."	"COc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc4ccccc4)C2=O)cc1Cl"	0	""	""	1	1	1194828	""
"743216"	"743216"	"1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,6-dimethyl-2..."	"Cc1cc(C)nc(SC2=C(Nc3cc(Cl)ccc3O)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	16254141	""
"743218"	"743218"	"ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3cccc(c3)C(=O)OCC)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	1426141	""
"743219"	"743219"	"N2,N3-di(4-fluorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccc(F)cc3)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	1426143	""
"743220"	"743220"	"N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccccc3OC)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	1426145	""
"743221"	"743221"	"N3-(4-chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7..."	"CCCC1=CC(=O)N2C(=N1)SC(=C2C(=O)Nc3ccc(Cl)cc3C)C(=O)Nc4ccc(F)cc4"	0	""	""	1	1	1426152	""
"743223"	"743223"	"1-benzyl-3-(3-chloroanilino)-4-(4,6-dimethyl-2-pyrimidin..."	"Cc1cc(C)nc(SC2=C(Nc3cccc(Cl)c3)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	1492226	""
"743224"	"743224"	"1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,6-dimethyl-2-..."	"Cc1cc(C)nc(SC2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(Cc4ccccc4)C2=O)n1"	0	""	""	1	1	1194823	""
"743227"	"743227"	"2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dioxo-2,5-dihyd..."	"ClC1=C(Nc2ccc(cc2)C(=O)Nc3ccccc3Cl)C(=O)N(C4CCCCC4)C1=O"	0	""	""	1	1	1676327	""
"743244"	"743244"	"11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one"	"CCN1CC2=Nc3sc(C)c(C)c3C(=O)N2C=C1C"	0	""	""	1	1	45028557	""
"743247"	"743247"	"Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate"	"COc1cc2N=C3SC(=C(N3C(=O)c2cc1OC)C(=O)Nc4ccc(Cl)cc4C)C(=O)Nc5ccc(cc5)C(=O)OC(C)C"	0	""	""	1	1	45028560	""
"743264"	"743264"	"Z223639776"	"Nc1c(c2nc(C#N)c(nc2n1CCCN3CCOCC3)C#N)S(=O)(=O)c4ccc(Cl)cc4"	0	""	""	1	1	17549916	""
"743265"	"743265"	"Z223639760"	"Nc1c(c2nc(C#N)c(nc2n1Cc3cccnc3)C#N)S(=O)(=O)c4ccccc4"	0	""	""	1	1	17549909	""
"743267"	"743267"	"Z99600124"	"Nc1c(c2nc(C#N)c(nc2n1Nc3cccc(Cl)c3)C#N)S(=O)(=O)c4ccc(Cl)cc4"	0	""	""	2	1	1640087	""
"743268"	"743268"	"Z223639762"	"Cn1c(nc2ccccc12)c3c(N)n(CCCN4CCOCC4)c5nc(C#N)c(nc35)C#N"	0	""	""	2	2	17549910	""
"743270"	"743270"	"5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one"	"NC1=C(C(=O)CN1c2cc(Cl)cc(Cl)c2)c3nc4ccccc4s3"	0	""	""	1	1	135398754	""
"743271"	"743271"	"Z223639772"	"COc1ccc(CN2C(=O)C(=C(Nc3cccc(c3)C(F)(F)F)C2=O)Cl)cc1"	0	""	""	1	1	17549914	""
"743272"	"743272"	"Z55430962"	"NC1=C(C(=O)CN1CC2CCCO2)c3nc(cs3)c4ccc(Br)cc4"	0	""	""	1	1	135452249	""
"743274"	"743274"	"Z55545006"	"NC1=C(C(=O)CN1Cc2cccnc2)c3nc(cs3)c4ccc(Br)cc4"	0	""	""	1	1	135521118	""
"743319"	"743319"	"2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-..."	"OC[C@H]1C[C@@](O)([C@H](O1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	""	""	1	1	16730269	""
"743364"	"743364"	"5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde"	"O=Cc1c[nH]c2ccc(cc12)c3csc4ccccc34"	0	""	""	1	1	4187155	""
"743380"	"743380"	"1H-Indole-3-methanol, 1-[(3-chlorophenyl)methyl]-"	"OCc1cn(Cc2cccc(Cl)c2)c3ccccc13"	0	""	""	3	3	13288729	"92407904"
"743396"	"743396"	"7-Benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one"	"O=C(\C=C\c1nnc2N(Cc3ccccc3)C(=O)c4c5CCCCc5sc4n12)c6ccccc6"	0	""	""	2	2	45028585	""
"743399"	"743399"	"3-Benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one"	"Brc1ccc(\C=N\NC2=Nc3sc4CCCCc4c3C(=O)N2Cc5ccccc5)cc1"	0	""	""	1	1	45028588	""
"743402"	"743402"	"Z18701173"	"O=C(COC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc23)Nc4sccc4C#N"	0	""	""	1	1	4603586	""
"743408"	"743408"	"Z24759926"	"CCc1ccc(NC(=O)COC(=O)c2cc(ccc2Sc3nnnn3C)[N+](=O)[O-])cc1"	0	""	""	1	1	4853660	""
"743411"	"743411"	"2-[(4E)-4-(4-Ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid"	"CCOc1ccc(cc1)S(=O)(=O)\N=C\2/C=C(SCC(=O)O)C(=O)c3ccccc23"	0	""	""	1	1	6022733	""
"743413"	"743413"	"N-(4-Methoxyphenyl)-all-trans-retinamide"	"COc1ccc(NC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1"	0	""	""	1	1	6385696	""
"743414"	"743414"	"Imatinib"	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1"	0	"BCR-ABL|PK:YK"	"FDA approved"	3	3	NA	"152459955"
"743430"	"743430"	"2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1H-benzo[d]imidaz..."	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc(OCCCCN5CCN(CCCCN6C(=O)c7cccc8cccc(C6=O)c78)CC5)cc4"	0	""	""	1	1	44218964	""
"743431"	"743431"	"2-{4-[4-(4-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph..."	"O=C1N(CCCCN2CCN(CCCCOc3ccc(cc3)c4nc5ccc(cc5[nH]4)N6CCOCC6)CC2)C(=O)c7cccc8cccc1c78"	0	""	""	1	1	44219117	""
"743432"	"743432"	"2-{5-[4-(5-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph..."	"O=C1N(CCCCCN2CCN(CCCCCOc3ccc(cc3)c4nc5ccc(cc5[nH]4)N6CCOCC6)CC2)C(=O)c7cccc8cccc1c78"	0	""	""	2	2	44219118	""
"743433"	"743433"	"8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,3,5,11-..."	"COc1cc2C(=O)N3CCCC3C=Nc2cc1OCCCCCCN4CCN(CC4)c5ncnc6ccccc56"	0	""	""	2	2	45028589	""
"743434"	"743434"	"8-(4-{5-[3-(4-fluoro phenyl)-3-oxo-1-prophenyl]-2-methox..."	"COc1cc(\C=C\C(=O)c2ccc(F)cc2)ccc1OCCCCCOc3cc4N=CC5CCCN5C(=O)c4cc3OC"	0	""	""	2	2	45028590	""
"743435"	"743435"	"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5,5-dioxo-10-ph..."	"COc1ccc2nc(NC(=O)CSc3nnc4N(c5ccccc5)c6ccccc6S(=O)(=O)n34)sc2c1"	0	""	""	1	1	42643013	""
"743479"	"743479"	"7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one"	"Brc1ccc(cc1)c2nnc3N(Cc4ccccc4)C(=O)c5c6CCCCc6sc5n23"	0	""	""	1	1	45028599	""
"743504"	"743504"	"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	45028623	""
"743506"	"743506"	"N-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-yl..."	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nc5ccccc5s4"	0	""	""	2	2	45028625	""
"743507"	"743507"	"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/Oc3ccccc3C2=O)cc1)Nc4nc5CCCCc5s4"	0	""	""	2	2	45028626	""
"743508"	"743508"	"2-[3-[(E)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C/2\Oc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	45028627	""
"743513"	"743513"	"(2Z,4Z)-N-[(E)-3-(8-Hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)prop-1-enyl]hepta-2,4-dienamide"	"CC\C=C/C=C\C(=O)N\C=C\CC1Cc2cccc(O)c2C(=O)O1"	0	""	""	1	1	24878848	""
"743528"	"743528"	"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one"	"COc1cccc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)c1"	0	""	""	2	2	45028634	""
"743529"	"743529"	"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)cc1"	0	""	""	1	1	45028635	""
"743530"	"743530"	"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2)cc(OC)c1OC"	0	""	""	2	2	45028636	""
"743532"	"743532"	"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"O=C(\C=C\c1occc1)c2cccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)c2"	0	""	""	2	2	45028638	""
"743533"	"743533"	"(E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one"	"CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)cc2)cc1"	0	""	""	1	1	45028639	""
"743534"	"743534"	"(2E,4E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one"	"O=C(\C=C\C=C\c1ccccc1)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccccc5)n3)cc2"	0	""	""	1	1	45028640	""
"743549"	"743549"	"2',2'' - [(Acridin-3,6-diyl)diimino]- 3',3'' - dipropyl ..."	"CCCN1C(=O)CS/C/1=N\c2ccc3cc4ccc(cc4nc3c2)\N=C\5/SCC(=O)N5CCC"	0	""	""	1	1	45028644	""
"743556"	"743556"	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione"	"CCCCC#CC1=C(I)N(C2OC(CO[Si](C)(C)C(C)(C)C)C3OC(C)(C)OC23)C(=O)NC1=O"	0	""	""	1	1	45028649	""
"743557"	"743557"	"1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil"	"CN1C(=O)NC(=O)C(=C1I)C#C[Si](C)(C)C"	0	""	""	1	1	45028650	""
"743558"	"743558"	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)N3C(=O)NC(=O)C(=C3I)C#C"	0	""	""	1	1	45028651	""
"743559"	"743559"	"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione"	"CC(C)(C)[Si](C)(C)OCC1OC(C2OC(C)(C)OC12)N3C(=O)NC(=O)C(=C3I)C#C[Si](C)(C)C"	0	""	""	1	1	45028652	""
"743561"	"743561"	"1-Methyl-5-(1-hexynyl)-6-iodouracil"	"CCCCC#CC1=C(I)N(C)C(=O)NC1=O"	0	""	""	1	1	15476976	""
"743562"	"743562"	"3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione"	"CCCCC#CC1=C(I)N(C2OC(CO[Si](C)(C)C(C)(C)C)C3OC(C)(C)OC23)C(=O)N(C(=O)c4ccccc4)C1=O"	0	""	""	1	1	45028654	""
"743564"	"743564"	"2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide"	"CNC(=O)NCC1OC(C(O[Si](C)(C)C(C)(C)C)C1CC(=O)N(C)OC)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	2	2	45028656	""
"743565"	"743565"	"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate"	"CCOC(=O)CC1C(CNC(=O)NC)OC(C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	1	1	45028657	""
"743568"	"743568"	"5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione"	"CN1C(=O)NC(=O)C(=C1I)C#CCO[Si](C)(C)C(C)(C)C"	0	""	""	2	2	45028660	""
"743640"	"743640"	"N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-  furylc..."	"Clc1ccc(NC(=O)CN2CCN(CC2)C(=O)c3occc3)c(c1)C(=O)c4ccccc4Cl"	0	""	""	1	1	45028671	""
"743641"	"743641"	"(E)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-meth..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCN4CCN(CC4)C(=O)c5occc5"	0	""	""	1	1	45028672	""
"743688"	"743688"	"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc(C)c(C)s4)c3)\Oc2c1"	0	""	""	2	2	45028676	""
"743690"	"743690"	"N-(1,3-Benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc5ccccc5s4)c3)\Oc2c1"	0	""	""	2	2	45028678	""
"743691"	"743691"	"2-[3-[(Z)-(6-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"COc1ccc2C(=O)\C(=C\c3cccc(OCC(=O)Nc4nc5CCCCc5s4)c3)\Oc2c1"	0	""	""	2	2	45028679	""
"743693"	"743693"	"(2Z)-2-[[4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3ccc(OCC(=O)c4ccc(Cl)cc4)cc3)\C(=O)c2c1"	0	""	""	1	1	45028681	""
"743694"	"743694"	"(2Z)-5-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2c1"	0	""	""	1	1	45028682	""
"743695"	"743695"	"2-[4-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"COc1ccc2O\C(=C/c3ccc(OCC(=O)Nc4nccs4)cc3)\C(=O)c2c1"	0	""	""	2	2	45028683	""
"743696"	"743696"	"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)Nc4nc(C)c(C)s4)c3)\C(=O)c2c1"	0	""	""	2	2	45028684	""
"743851"	"743851"	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile"	"Nc1nc(cc(c2ccccc2)c1C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	45028692	""
"743852"	"743852"	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile"	"COc1cccc(c1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	45028693	""
"743853"	"743853"	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	45028694	""
"743854"	"743854"	"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile"	"CN(C)c1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	45028695	""
"743862"	"743862"	"(E)-3-(4-Chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one"	"Clc1ccc(\C=C\C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1"	0	""	""	2	2	25113941	""
"743863"	"743863"	"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1"	0	""	""	2	2	13432181	""
"743864"	"743864"	"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one"	"Clc1ccc2c(Nc3ccc(cc3)C(=O)\C=C\c4occc4)ccnc2c1"	0	""	""	1	1	42631501	""
"743868"	"743868"	"1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone"	"CN(C)c1ccc(cc1)C2CC(=NN2C(=O)C)c3ccc(Nc4nc(Nc5ccc(F)cc5)nc(Nc6ccc(F)cc6)n4)cc3"	0	""	""	1	1	45028699	""
"743874"	"743874"	"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"COc1ccc(cc1)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	45028705	""
"743876"	"743876"	"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"COc1cc(cc(OC)c1OC)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	45028707	""
"743877"	"743877"	"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine"	"CN(C)c1ccc(cc1)c2onc(c2)c3ccc(Nc4nc(Nc5ccc(Cl)cc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	45028708	""
"743880"	"743880"	"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one"	"COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc1"	0	""	""	1	1	45028711	""
"743883"	"743883"	"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	2	2	45028714	""
"743884"	"743884"	"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one"	"CN(C)c1ccc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccc(F)cc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc1"	0	""	""	1	1	45028715	""
"743891"	"743891"	"6-(2-hydroxy-3-methoxybenzyl)aminopurine-9-riboside"	"COc1cccc(CNc2ncnc3c2ncn3C4OC(CO)C(O)C4O)c1O"	0	""	""	2	2	45028717	""
"743897"	"743897"	"[(2R,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3ccccc23)[C@@]4(O)C[C@H](CSC#N)OC4=O"	0	""	""	1	1	24936180	""
"743898"	"743898"	"2-[(2S,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile"	"Cc1ccc(cc1)S(=O)(=O)n2cc(c3ccccc23)[C@@]4(O)C[C@H](CC#N)OC4=O"	0	""	""	2	2	24936179	""
"743907"	"743907"	"N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane"	"CN(CCOc1ccc(cc1)C#N)CCOc2ccc(cc2)C#N"	0	""	""	1	1	45028719	""
"743909"	"743909"	"1,5-bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-p..."	"Cc1ccc(cc1)S(=O)(=O)N(CCOc2ccc(cc2)\C(=N/Cl)\N)CCOc3ccc(cc3)\C(=N\Cl)\N"	0	""	""	1	1	45028721	""
"743910"	"743910"	"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)NN)C(F)(F)F"	0	""	""	2	2	45028722	""
"743912"	"743912"	"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3ccc(cc3)[N+](=O)[O-])C(F)(F)F"	0	""	""	1	1	45028724	""
"743914"	"743914"	"2-(5-Chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cccnc3)C(F)(F)F"	0	""	""	1	1	45028726	""
"743915"	"743915"	"2-(5-Chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cccnc3)C(F)(F)F"	0	""	""	2	2	45028727	""
"743919"	"743919"	"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)cc1"	0	""	""	1	1	45028731	""
"743925"	"743925"	"N-[(E)-Pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3ccncc3)C(F)(F)F)c1"	0	""	""	1	1	45028737	""
"743927"	"743927"	"GP0210"	"CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c3n1"	0	""	""	1	1	25190761	""
"743957"	"743957"	"8-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Cc1ccc(cc1)C2=Nc3c(N)ncnc3NC(C2)c4ccc5OCOc5c4"	0	""	""	1	1	25112165	""
"743961"	"743961"	"6-(1,3-Benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Nc1ncnc2NC(CC(=Nc12)c3ccc4OCOc4c3)c5ccc(cc5)[N+](=O)[O-]"	0	""	""	1	1	25110634	""
"743962"	"743962"	"6-(1,3-Benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine"	"Nc1ncnc2NC(CC(=Nc12)c3ccc4OCOc4c3)c5ccc(Cl)cc5"	0	""	""	1	1	25110635	""
"744016"	"744016"	"(11aS)-7-methoxy-8-4-[2-(2-thienyl)-1H-benzo[d]imidazol-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCn4c(nc5ccccc45)c6cccs6"	0	""	""	1	1	44226901	""
"744020"	"744020"	"methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro..."	"COC(=O)c1ccc2nc(c3cc4ccccc4n3C)n(CCCCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)c2c1"	0	""	""	2	1	45028743	""
"744022"	"744022"	"(11aR)-7-methoxy-8-(5-[2-( -1H-2-furyl)-1H-benzo[d]imida..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCn4c(nc5ccccc45)c6occc6"	0	""	""	2	2	25008105	""
"744023"	"744023"	"(11aS)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl..."	"COc1cc(\C=C\C(=O)c2ccccc2O)ccc1OCCCOc3cc4N=C[C@@H]5CCCN5C(=O)c4cc3OC"	0	""	""	2	2	24863867	""
"744025"	"744025"	"diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrah..."	"CCOP(=O)(CCN1CCN(CCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)CC1)OCC"	0	""	""	1	1	25113728	""
"744048"	"744048"	"2-[3-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide"	"COc1ccc2O\C(=C/c3cccc(OCC(=O)Nc4nc5CCCCc5s4)c3)\C(=O)c2c1"	0	""	""	2	2	45028746	""
"744059"	"744059"	"(3E)-3-[(3-Phenacyloxyphenyl)methylidene]chromen-4-one"	"O=C(COc1cccc(\C=C\2/COc3ccccc3C2=O)c1)c4ccccc4"	0	""	""	1	1	45028754	""
"744060"	"744060"	"(3E)-6-Methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"COc1ccc(cc1)C(=O)COc2ccc(\C=C\3/COc4ccc(OC)cc4C3=O)cc2"	0	""	""	1	1	45028755	""
"744061"	"744061"	"(3E)-6-Methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"COc1ccc2OC\C(=C/c3cccc(OCC(=O)c4ccc(cc4)[N+](=O)[O-])c3)\C(=O)c2c1"	0	""	""	2	2	45028756	""
"744062"	"744062"	"(3E)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/COc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	45028757	""
"744063"	"744063"	"2-[4-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/COc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	45028758	""
"744064"	"744064"	"2-[3-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C\2/COc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	45028759	""
"744065"	"744065"	"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide"	"Cc1nc(NC(=O)COc2cccc(\C=C\3/COc4ccccc4C3=O)c2)sc1C"	0	""	""	2	2	45028760	""
"744068"	"744068"	"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccccc4C3=O)c2"	0	""	""	2	2	45028763	""
"744070"	"744070"	"2-[4-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1ccc(\C=C\2/CSc3ccccc3C2=O)cc1)Nc4nccs4"	0	""	""	1	1	45028765	""
"744071"	"744071"	"2-[3-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide"	"O=C(COc1cccc(\C=C\2/CSc3ccccc3C2=O)c1)Nc4nccs4"	0	""	""	1	1	45028766	""
"744075"	"744075"	"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(C)cc4C3=O)c2"	0	""	""	1	1	45028770	""
"744076"	"744076"	"(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one"	"Cc1ccc2SC\C(=C/c3cccc(OCC(=O)c4ccc(Cl)cc4)c3)\C(=O)c2c1"	0	""	""	1	1	45028771	""
"744092"	"744092"	"(3E)-3-[(4-Chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide"	"COc1cc(NC(=O)C2=C(N3CCOCC3)\C(=C\c4ccc(Cl)cc4)\CC2)cc(OC)c1OC"	0	""	""	1	1	2337642	""
"744115"	"744115"	"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one"	"COc1cccc(c1)N2C(=O)CC(=C2N)c3nc4ccccc4s3"	0	""	""	1	1	135892287	""
"744116"	"744116"	"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one"	"NC1=C(CC(=O)N1c2ccc(SC(F)F)cc2)c3nc4ccccc4s3"	0	""	""	1	1	135543874	""
"744143"	"744143"	"Z54338316"	"COc1ccccc1NS(=O)(=O)c2ccc3oc(SC(C)C)nc3c2"	0	""	""	1	1	2339468	""
"744144"	"744144"	"Z26357397"	"COc1ccccc1OCC(=O)Nc2sc3CCCc3c2C(=O)N"	0	""	""	1	1	2078783	""
"744145"	"744145"	"Z27665932"	"CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c3ccc(Cl)cc3"	0	""	""	1	1	2079923	""
"744152"	"744152"	"Z29325634"	"Cc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3)s1"	0	""	""	1	1	3955158	""
"744165"	"744165"	"N-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide"	"CCC(=O)Nc1ccccc1C#C\C=C/C#Cc2ccccc2C(F)(F)F"	0	""	""	2	2	45028777	""
"744166"	"744166"	"N-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide"	"CCC(=O)Nc1ccccc1C#C\C=C/C#Cc2ccccc2SC"	0	""	""	1	1	45028778	""
"744168"	"744168"	"1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one"	"[O-][N+](=O)c1ccc(cc1)C#Cc2ccccc2C#CCCCCN3CCCCC3=O"	0	""	""	1	1	45028780	""
"744170"	"744170"	"1-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one"	"CSc1ccccc1C#C\C=C/C#Cc2ccccc2N3CCCC3=O"	0	""	""	2	1	45028782	""
"744178"	"744178"	"Z198955462"	"O=S(=O)(N1CCOCC1)c2ccc(NC3=NN=C(CS3)c4c[nH]c5ccccc45)cc2"	0	""	""	1	1	135528004	""
"744206"	"744206"	"Z18027384"	"Clc1cccc(Cl)c1COC(=O)CC2=NNC(=O)c3ccccc23"	0	""	""	1	1	2466498	""
"744209"	"744209"	"Z29651365"	"O=C(Nc1nc(cs1)c2c[nH]c3ccccc23)C4=NNC(=O)c5ccccc45"	0	""	""	2	2	2594324	""
"744227"	"744227"	"6-[(E)-2-(3-Methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one"	"COc1cccc(\C=C\C2=Nc3c(cnn3c4ccccc4)C(=O)N2)c1"	0	""	""	2	2	135433200	""
"744231"	"744231"	"STK534857"	"COc1ccc(cc1OC)n2c(N)c(C(=O)NCCN3CCOCC3)c4nc5ccccc5nc24"	0	""	""	1	1	1912526	""
"744327"	"744327"	"7-methoxy-8-[(5-2-methoxy-4-[(E)-3-(2,4-dimethyl-3-quino..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	44227294	""
"744329"	"744329"	"(11aS)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,2-dimethyl-2H-..."	"COc1cc2OC(C)(C)C=Cc2cc1OCCCN3CCN(CCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC)CC3"	0	""	""	2	1	45028794	""
"744330"	"744330"	"(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-2-Fluoro-7-Methoxy-5-o..."	"COc1cc2C(=O)N3C[C@H](F)C[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7C[C@@H](F)CN7C(=O)c6cc5OC)CC4"	0	""	""	2	2	45028795	""
"744331"	"744331"	"(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-C2-di-Fluoro-7-Methoxy..."	"COc1cc2C(=O)N3CC(F)(F)C[C@H]3C=Nc2cc1OCCCN4CCN(CCCOc5cc6N=C[C@@H]7CC(F)(F)CN7C(=O)c6cc5OC)CC4"	0	""	""	1	1	44204058	""
"744332"	"744332"	"(11aS)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,4-dihydro-3-qu..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCCOc4ccc(cc4)N5C(=Nc6ccccc6C5=O)C"	0	""	""	2	2	45028796	""
"744336"	"744336"	"(11aS)-7-methoxy-8-(4-2-methoxy-4-[5-(3,4,5-trimethoxyph..."	"COc1cc(ccc1OCCCCOc2cc3N=C[C@@H]4CCCN4C(=O)c3cc2OC)C5=NOC(C5)c6cc(OC)c(OC)c(OC)c6"	0	""	""	2	2	44224281	""
"744338"	"744338"	"Z-Leu-Leu-Nle-CHO"	"CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O"	0	""	""	2	2	11754711	""
"744449"	"744449"	"4-Morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile"	"S=C1NC(=C(C#N)C(=N1)N2CCOCC2)c3ccccc3"	0	""	""	1	1	45028809	""
"744450"	"744450"	"6-(2-Furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile"	"S=C1NC(=C(C#N)C(=N1)N2CCOCC2)c3occc3"	0	""	""	1	1	45028810	""
"744469"	"744469"	"3-cyano-3,3-diphenylpropyl 4-(3-[(11aS)-7-methoxy-5-oxo-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCN4CCN(CC4)C(=S)SCCC(C#N)(c5ccccc5)c6ccccc6"	0	""	""	2	2	45028821	""
"744470"	"744470"	"3-cyano-3,3-diphenylpropyl 4-(4-[(11aS)-7-methoxy-5-oxo-..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCCN4CCN(CC4)C(=S)SCCC(C#N)(c5ccccc5)c6ccccc6"	0	""	""	1	1	45028822	""
"744536"	"744536"	"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride"	"Nc1ccccc1NC(=O)c2ccc(cc2)C(=C)CN3CCN(CC3)c4cccc(n4)C(F)(F)F"	0	""	""	2	2	45028828	""
"744579"	"744579"	"6,7-Difluoro-3-methyl-1,4-dioxyquinoxaline-2-carboxylic ..."	"COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3cc(F)c(F)cc3[n+]2[O-])cc1"	0	""	""	1	1	46885175	""
"744607"	"744607"	"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F"	0	""	""	1	1	45028829	""
"744608"	"744608"	"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3ccc(Cl)cc3)C(F)(F)F"	0	""	""	1	1	45028830	""
"744609"	"744609"	"2-(4-Chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N\N=C\c3cccc(O)c3)C(F)(F)F"	0	""	""	2	2	45028831	""
"744614"	"744614"	"N-[(E)-(2,4-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide"	"FC(F)(F)c1cccc(Nc2ccccc2C(=O)N\N=C\c3ccc(Cl)cc3Cl)c1"	0	""	""	1	1	45028836	""
"744622"	"744622"	"4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic ..."	"CC(=CCC\C(=C\CC\C(=C\CC\C=C(/C)\CC\C=C(/C)\CCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F)\C)\C)C"	0	""	""	2	2	45028841	""
"744623"	"744623"	"(3Z)-6-Chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	45028842	""
"744624"	"744624"	"(3Z)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CSc4ccc(Cl)cc4C3=O)c2"	0	""	""	1	1	45028843	""
"744627"	"744627"	"(2Z)-2-[[4-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)COc2ccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)cc2"	0	""	""	1	1	45028846	""
"744628"	"744628"	"(2Z)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	45028847	""
"744629"	"744629"	"(2Z)-2-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"Clc1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	45028848	""
"744630"	"744630"	"(2Z)-2-[[3-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one"	"[O-][N+](=O)c1ccc(cc1)C(=O)COc2cccc(\C=C\3/Oc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	45028849	""
"744633"	"744633"	"(2E)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one"	"COc1ccc(cc1)C(=O)COc2cccc(\C=C\3/COc4ccc5ccccc5c4C3=O)c2"	0	""	""	1	1	45028852	""
"744635"	"744635"	"N-[4-[2-[3-[(E)-(1-Oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide"	"CC(=O)Nc1ccc(cc1)C(=O)COc2cccc(\C=C\3/CCc4ccccc4C3=O)c2"	0	""	""	1	1	45028854	""
"744636"	"744636"	"(2E)-7-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one"	"COc1ccc2CC\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2c1"	0	""	""	1	1	45028855	""
"744646"	"744646"	"Ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate"	"CCOC(=O)c1sc(NC(=O)COc2cccc(\C=C\3/CCc4cc(OC)ccc4C3=O)c2)nc1C"	0	""	""	1	1	45028865	""
"744647"	"744647"	"Ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate"	"CCOC(=O)c1sc(NC(=O)COc2ccc(\C=C\3/CCc4cc(OC)ccc4C3=O)cc2)nc1C"	0	""	""	2	2	45028866	""
"744650"	"744650"	"(2E)-5,6-Dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one"	"COc1cc2C\C(=C/c3cccc(OCC(=O)c4ccccc4)c3)\C(=O)c2cc1OC"	0	""	""	1	1	45028869	""
"744656"	"744656"	"6-(diethylaminoethyl)diquino-1,4-thiazine"	"CCN(CC)CCN1c2nc3ccccc3cc2Sc4cc5ccccc5nc14"	0	""	""	2	1	24858011	""
"744658"	"744658"	"6-(p-toluenesulfonylaminoethyl)diquino-1,4-thiazine"	"Cc1ccc(cc1)S(=O)(=O)NCCN2c3nc4ccccc4cc3Sc5cc6ccccc6nc25"	0	""	""	2	2	24858161	""
"744659"	"744659"	"6-(chloroethylureidoethyl)diquino-1,4-thiazine"	"ClCCNC(=O)NCCN1c2nc3ccccc3cc2Sc4cc5ccccc5nc14"	0	""	""	2	2	24858160	""
"744673"	"744673"	"3-PEG FUDR   (PEG FLOXURIDINE)"	"[R]OC(=O)OCC1OC(CC1OC(=O)O[R])N2C=C(F)C(=O)N=C2OC(=O)O[R]"	0	NA	NA	2	2	NA	""
"744675"	"744675"	"1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cccc(c1)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	16257373	""
"744677"	"744677"	"1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc(cc3)N(C)C"	0	""	""	2	2	45028872	""
"744683"	"744683"	"5-(4-Chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	"COc1cc(Nc2c[nH]nc2c3ccc(Cl)cc3)cc(OC)c1OC"	0	""	""	2	2	45028878	""
"744686"	"744686"	"1-[5-Phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccccc3"	0	""	""	2	2	45028881	""
"744688"	"744688"	"1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc(SC)cc3"	0	""	""	1	1	45028883	""
"744693"	"744693"	"3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole"	"COc1ccc(cc1)C2NN=C3C2CCc4ccccc34"	0	""	""	1	1	21792363	""
"744703"	"744703"	"N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlo..."	"Fc1ccc(Oc2ccncc2S(=O)(=O)NC(=O)Nc3ccc(Cl)c(Cl)c3)cc1"	0	""	""	1	1	45028897	""
"744763"	"744763"	"miuraenamide A"	"CO\C(=C/1\NC(=O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C)NC(=O)CCC\C=C(/C)\CCC(C)OC1=O)\c3ccccc3"	0	""	""	2	2	16080416	"905982743"
"744860"	"744860"	"2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile"	"OC(CSc1nc(N2CCOCC2)c(C#N)c(n1)c3ccccc3)CN4CCOCC4"	0	""	""	1	1	45028927	""
"744912"	"744912"	"Obatoclax"	"COC1=CC(=N/C/1=C\c2[nH]c(C)cc2C)c3cc4ccccc4[nH]3"	0	"Apo|BCL2"	"Clinical trial"	6	2	45028942	""
"744989"	"744989"	"7-methoxy-8-[(5-2-methoxy-4-[(E)-3-(2,4-dimethyl-3-quino..."	"COc1cc(\C=C\C(=O)c2c(C)nc3ccccc3c2C)ccc1OCCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	44227495	""
"744991"	"744991"	"(11aS)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,3,5,11a..."	"COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1OCCCOC4=C=C=C(C=C4)c5ccc6c(c5)c7cc(ccc7n6S(=O)(=O)c8ccc(C)cc8)c9ccc(OCCCOc%10cc%11N=C[C@@H]%12CCCN%12C(=O)c%11cc%10OC)cc9"	0	""	""	2	2	45028944	""
"744999"	"744999"	"(3E)-3-[(4-Hydroxyphenyl)methylidene]-6-phenylchromen-4-one"	"Oc1ccc(\C=C\2/COc3ccc(cc3C2=O)c4ccccc4)cc1"	0	""	""	2	2	45028950	""
"745018"	"745018"	"1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one"	"O=C1CCCCN1CCCCC#Cc2cccc(c2)C#Cc3cccnc3"	0	""	""	1	1	45028957	""
"745025"	"745025"	"10-(6'-ubiquinolyl)decyltriphenylphosphonium"	"COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	2	24783759	""
"745062"	"745062"	"6-Methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide"	"Cc1ccc(cn1)C(=O)N\N=C\c2cccc(Oc3ccccc3)c2"	0	""	""	2	2	45028963	""
"745089"	"745089"	"1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3cccc(Br)c3"	0	""	""	2	2	45028986	""
"745090"	"745090"	"1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"CCN(CC)c1ccc(cc1)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	45028987	""
"745097"	"745097"	"[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1cc(cc(OC)c1OC)C(=O)N2N=C(CC2c3occc3)c4ccc(cc4)S(=O)(=O)C"	0	""	""	2	2	45028994	""
"745098"	"745098"	"sr16388"	"C[C@@H]1Cc2cc(O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CC/C/4=C\COCCN(C)C)[C@H]13.OC(=O)CC(O)(CC(=O)O)CC(=O)O"	0	""	""	2	2	54612678	""
"745102"	"745102"	"L-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,..."	"CC(C)[C@H](N(C)C)C(=O)O[C@@H]1\C=C\C(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@@H]12"	0	""	""	2	2	45028995	""
"745103"	"745103"	"D-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,..."	"CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1\C=C\C(=O)O[C@@H](C)CCC\C=C\[C@@H]2C[C@H](O)C[C@@H]12"	0	""	""	2	2	45028997	""
"745287"	"745287"	"6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile"	"CSc1nc(cc(c2ccc(Cl)cc2)c1C#N)c3oc4ccccc4c3"	0	""	""	2	2	45029032	""
"745301"	"745301"	"Nonnucleoside purine derivatives"	"ClCCOCCn1cnc2c(Cl)nc(Cl)nc12"	0	""	""	1	1	45029046	""
"745321"	"745321"	"KH-CARB10"	"CN1CCC2(CC1)NC(=O)c3c(C2C#N)c4cccc(Cl)c4n3C"	0	""	""	2	1	56946086	""
"745343"	"745343"	"1-Benzyl-3-hexadecyl-2-methylimidazolium chloride"	"CCCCCCCCCCCCCCCCn1cc[n+](Cc2ccccc2)c1C"	0	""	""	2	1	44219704	""
"745355"	"745355"	"7-methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthra..."	"COc1cc(C=C2c3ccccc3C(=O)c4ccccc24)ccc1OCCCCOc5cc6N=CC7CCCN7C(=O)c6cc5OC"	0	""	""	2	1	45029072	""
"745414"	"745414"	"6,7-Dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one"	"COc1ccc(CC2=Nc3cc(OC)c(OC)cc3C(=O)N2)cc1"	0	""	""	2	2	135958473	""
"745449"	"745449"	"(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-6-phenylchromen-4-one"	"Oc1ccc(\C=C\2/COc3ccc(cc3C2=O)c4ccccc4)cc1O"	0	""	""	2	2	45029091	""
"745450"	"745450"	"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	45029092	""
"745451"	"745451"	"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone"	"Fc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccccc4"	0	""	""	2	2	45029093	""
"745452"	"745452"	"2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccc(OC)cc4"	0	""	""	2	2	45029094	""
"745454"	"745454"	"1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone"	"COc1ccc(cc1)C(=O)c2nc3ccccc3n2CC(=O)c4ccc(Cl)cc4"	0	""	""	2	2	45029096	""
"745455"	"745455"	"2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone"	"COc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)C(=O)c4ccc(Cl)cc4"	0	""	""	2	2	45029097	""
"745471"	"745471"	"4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid"	"CCOC(=O)c1cc(c2ccc(cc2)[N+](=O)[O-])n(c1C)c3ccc(C(=O)O)c(O)c3"	0	""	""	1	1	45029113	""
"745476"	"745476"	"4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,4-dihydro..."	"Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC3=Nc4nc(NCc5ccccc5)nc(c6ccc(O)cc6)c4C(=O)N3)cc2)n1"	0	""	""	1	1	135958480	""
"745484"	"745484"	"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide"	"COc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3cc(OC)c(OC)c(OC)c3)C(F)(F)F"	0	""	""	1	1	45029125	""
"745485"	"745485"	"2-[3-(Trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide"	"COc1cc(\C=N\NC(=O)c2ccccc2Nc3cccc(c3)C(F)(F)F)cc(OC)c1OC"	0	""	""	2	1	45029126	""
"745486"	"745486"	"[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C2=NN(C(C2)c3ccc(cc3)N(C)C)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	45029127	""
"745487"	"745487"	"[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1O)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	""	""	2	2	45029128	""
"745492"	"745492"	"1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1cc(ccc1O)C2=NN(C(C2)c3cc(OC)c(OC)c(OC)c3)C(=O)C"	0	""	""	2	2	135908147	""
"745500"	"745500"	"1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccccc1\C=N\CCNc2cccc3C(=O)c4ccccc4C(=O)c23"	0	""	""	2	1	135958487	""
"745501"	"745501"	"1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone"	"Oc1ccccc1\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5ccccc5O)c4C(=O)c23"	0	""	""	2	2	135958488	""
"745523"	"745523"	"(8,9-Dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate"	"CC(=O)OC1Oc2cc(C)c(C)cc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	""	""	2	2	45029154	""
"745540"	"745540"	"12-chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine"	"Cl[As]1c2ccc(cc2Nc3ccc4ccccc4c13)c5ccccc5"	0	""	""	2	2	12283554	""
"745543"	"745543"	"N'-(2,4-dihydroxybenzylidene)-2,3-dimethyl-4H-furo[3,2-b..."	"Cc1oc2c(c[nH]c2c1C)C(=O)N\N=C/c3ccc(O)cc3O"	0	""	""	2	2	135958493	""
"745582"	"745582"	"4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide"	"CN1C(=O)C(=C(N=C1N2NC(=O)C(N=Nc3ccc(cc3)S(=O)(=O)N)C2=O)c4occc4)C#N"	0	""	""	1	1	45029189	""
"745591"	"745591"	"4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile"	"N#Cc1c(nc(SCC2CO2)nc1c3ccccc3)N4CCOCC4"	0	""	""	2	2	45029198	""
"745617"	"745617"	"4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole"	"Clc1ccc(c(Cl)c1)c2cn(c3ccccc3)c(n2)c4ccccc4"	0	""	""	2	2	45029218	""
"745677"	"745677"	"4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	"COc1ccc(NC2=C(C#N)C(=N)N3C(=N2)Sc4cc(Cl)ccc34)cc1"	0	""	""	2	2	45029232	""
"745678"	"745678"	"4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile"	"Clc1ccc(NC2=C(C#N)C(=N)N3C(=N2)Sc4cc(Cl)ccc34)cc1"	0	""	""	2	1	45029233	""
"745689"	"745689"	"3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]be..."	"CSC1=C(C#N)C(=N)N2C(=N1)Sc3cc(Cl)ccc23"	0	""	""	2	2	45029244	""
"745693"	"745693"	"STL487843"	"COc1cc(cc(OC)c1OC)C2C=C(Nc3ncnn23)c4cccc(NC(=O)C)c4"	0	""	""	2	2	5164236	""
"745750"	"745750"	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:STK,YK,MET,EGFR,ERBB2,KIT,RAF,VEGFR"	"FDA approved"	5	5	208908	"231277922"
"745813"	"745813"	"Z48861686"	"CCOc1ccc(Nc2nc(cs2)c3ccc4OCC(=O)Nc4c3)cc1"	0	""	""	1	1	4784054	""
"745923"	"745923"	"1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea"	"Cc1nc(NC(=S)Nc2ccc(F)cc2)sc1C(=O)NNC(=S)Nc3ccc(F)cc3"	0	""	""	1	1	24936201	""
"745929"	"745929"	"3-(3-Nitroso-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-ol"	"O\N=C/1\C(=C/2\C(=O)Nc3ncccc23)\Nc4ccccc14"	0	""	""	2	2	135911866	""
"745931"	"745931"	""	"O\N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14"	0	NA	NA	2	2	NA	""
"745939"	"745939"	"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3ccccc3"	0	""	""	2	2	45029263	""
"745940"	"745940"	"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate"	"COC(=O)c1cc([nH]c1N\N=C\c2c(Cl)cccc2Cl)c3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	45029264	""
"745943"	"745943"	"[3-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10"	"CC1OC(OCC2OC(O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C6C7CC(C)(C)[C@H](C[C@@]7([C@H](O)C[C@@]56C)C(=O)OC8OC(CO)C(O)C(O)C8OC9OC(C)C(OC%10OC(CO)C(O)C%10O)C(OC%11OC(CO)C(O)C(O)C%11O)C9O)OC(=O)\C(=C\CC[C@](C)(OC%12OC(C)C(OC(=O)\C(=C\CCC(C)(O)C=C)\CO)C(O)C%12O)C=C)\CO)C3(C)C)C(NC(=O)C)C(O)C2O)C(OC%13OCC(O)C(O)C%13O)C(O)C1O"	0	""	""	2	2	45029265	""
"745957"	"745957"	"2-Benzylthio-4-chloro-N-[imino(3,4,5-trimethylpyrazol-1-..."	"Cc1cc(c(SCc2ccccc2)cc1Cl)S(=O)(=O)NC(=N)n3nc(C)c(C)c3C"	0	""	""	1	1	45029269	""
"745962"	"745962"	"5-iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(I)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	2	45029271	""
"746005"	"746005"	"Z48958610"	"COc1ccc(NC2=NN=C(CS2)c3c[nH]c4ccccc34)cc1OC"	0	""	""	2	2	135543484	""
"746032"	"746032"	"(11aS)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,4,5..."	"COc1cc(\C=C\C(=O)N2CCN(CC2)C(=O)c3cc(OC)c(OC)c(OC)c3)ccc1OCCCOc4cc5N=C[C@@H]6CCCN6C(=O)c5cc4OC"	0	""	""	2	2	45029287	""
"746035"	"746035"	"2-4-[(5-2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-..."	"COc1cc(ccc1OCCCCCOc2c(OC)cc(cc2OC)C3=NOC(C3)c4cc(OC)c(OC)c(OC)c4)C5NC(=O)c6ccccc6N5"	0	""	""	2	2	45029290	""
"746053"	"746053"	"(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone"	"Oc1cccc(C(=O)c2cn(Cc3ccc(F)cc3)c4cccc(O)c24)c1O"	0	""	""	2	2	42624812	""
"746058"	"746058"	"N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide"	"COc1cccc2c1c(cn2Cc3ccc(F)cc3)C(=O)C(=O)Nc4onc(C)c4"	0	""	""	2	2	42624803	""
"746060"	"746060"	"N-[(E)-(4-Chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3ccc(Cl)cc3)C(F)(F)F)c1"	0	""	""	2	1	45029300	""
"746061"	"746061"	"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F)c1"	0	""	""	2	1	45029301	""
"746063"	"746063"	"6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1O)c2cc(c3cc(OC)c(OC)c(OC)c3)c(C#N)c(n2)N4CCOCC4"	0	""	""	2	2	45029303	""
"746064"	"746064"	"ChemDiv1_008548"	"COc1ccc(cc1OC)C2=NN(C(C2)c3ccc(Cl)cc3)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	3732101	""
"746068"	"746068"	"[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4cccc(OC)c4"	0	""	""	2	2	45029306	""
"746076"	"746076"	"spirohexenolide"	"CC1CC23OC(=O)\C(=C/4\OC\C(=C/C(O)C\C=C/C(=C/C2(C)C=C1C)/C)\C=C4)\C3=O"	0	""	""	2	2	54613640	""
"746087"	"746087"	"1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,4,5-trimethox..."	"COc1cc(\C=C\C(=O)c2nc3cc(F)ccc3nc2C)cc(OC)c1OC"	0	""	""	2	2	45029310	""
"746098"	"746098"	"4-[5-(3,5-bis(trifluoromethyl)phenyl)-3-(trifluoromethyl..."	"NC(=O)NS(=O)(=O)c1ccc(cc1)N2N=C(CC2c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	45029311	""
"746131"	"746131"	"pyr-41"	"CCOC(=O)c1ccc(cc1)N2NC(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\C2=O"	0	""	""	2	2	5335621	"418805024"
"746134"	"746134"	"(E,2Z)-2-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid"	"OC(=O)\C(=N/Nc1nc(cs1)c2ccc(Cl)cc2)\C=C\c3occc3"	0	""	""	1	1	45029314	""
"746149"	"746149"	"N,N'-bis(4-bromo-2-fluorobenzoyl)-L-selenocystine bis(4-..."	"COc1ccc(cc1)C(=O)COC(=O)[C@H](C[Se][Se]C[C@H](NC(=O)c2ccc(Br)cc2F)C(=O)OCC(=O)c3ccc(OC)cc3)NC(=O)c4ccc(Br)cc4F"	0	""	""	2	1	45029327	""
"746248"	"746248"	"Z28714792"	"CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc2nc(cs2)c3ccc(F)c(F)c3"	0	""	""	2	2	2671841	""
"746310"	"746310"	"4-[C-(4-Hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol"	"Cc1cc(NN=C(c2ccc(O)cc2)c3ccc(O)cc3)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	135958516	""
"746311"	"746311"	"4-[N-(5-Chloro-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol"	"Oc1ccc(cc1)C(=NNc2cc(Cl)c(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(O)cc3"	0	""	""	2	1	135546138	""
"746312"	"746312"	"4-[N-(2,4-Dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol"	"Oc1ccc(cc1)C(=NNc2cc(N3CCCC3)c(cc2[N+](=O)[O-])[N+](=O)[O-])c4ccc(O)cc4"	0	""	""	1	1	135958517	""
"746314"	"746314"	"4-[C-(4-Hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol"	"COc1cc(NN=C(c2ccc(O)cc2)c3ccc(O)cc3)c(cc1[N+](=O)[O-])[N+](=O)[O-]"	0	""	""	1	1	135958518	""
"746351"	"746351"	"Z52868488"	"CCCN1C(=O)NC(=O)C(=C1N)C(=O)CNc2ccc(I)cc2"	0	""	""	2	2	4806509	""
"746353"	"746353"	"(E)-1-(1,2-Dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one"	"[O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc3CCc4cccc2c34)cc1"	0	""	""	2	2	6167610	""
"746418"	"746418"	"CBMicro_037298"	"Cc1nn(c(C)c1Oc2ccccc2O)c3nc4ccccc4s3"	0	""	""	1	1	2313402	""
"746498"	"746498"	"N-[(E)-(3-Hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide"	"COc1ccc(\C=N\NC(=O)c2cccc3cc[nH]c23)cc1O"	0	""	""	2	2	6899201	""
"746513"	"746513"	"5-Triazol-2-yl-methyl-2-[2?,(2??-chlorophenyl)-thiazolid..."	"Clc1ccccc1C2SCC(=O)N2c3oc(Cn4cnnc4)nn3"	0	""	""	1	1	45029357	""
"746540"	"746540"	"(4S)-Parectadial"	"C=C(C=O)[C@H]1CCC(=CC1)C=O"	0	""	""	2	2	23625545	""
"746541"	"746541"	"Amaminol A"	"CC\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1CC[C@H](O)[C@H](C)N"	0	""	""	1	1	10265530	"261622188"
"746568"	"746568"	"Naphthol AS-E phosphate"	"OP(=O)(O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3"	0	""	""	1	1	87517	"18228176"
"746604"	"746604"	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	"CSC1=NC2=C(N=C3C(C(N2)c4ccccc4)C(=O)c5ccccc35)C(=O)N1"	0	""	""	1	1	135958523	""
"746608"	"746608"	"10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione"	"CSC1=NC2=C(N=C3C(C(N2)c4ccc(F)cc4)C(=O)c5ccccc35)C(=O)N1"	0	""	""	1	1	135958525	""
"746616"	"746616"	"2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine"	"CN(O)c1nc(nc(n1)N2CCOCC2)N(C)O"	0	""	""	1	1	44186462	""
"746683"	"746683"	"7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,3,6-tripheny..."	"CN(C)CCNC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	2	45029397	""
"746684"	"746684"	"7-{[3-(dibutylamino)propyl]amino}-5-imino-1,3,6-tripheny..."	"CCCCN(CCCC)CCCNC1=NC2=C(C(=N)N1c3ccccc3)C(=S)N(C(=S)N2c4ccccc4)c5ccccc5"	0	""	""	2	1	45029398	""
"746685"	"746685"	"[(2-phenyl-1H-indol-3-yl)methylene]malononitrile"	"N#CC(=Cc1c([nH]c2ccccc12)c3ccccc3)C#N"	0	""	""	2	2	809566	""
"746687"	"746687"	"(2E)-3-(2-phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylo..."	"O=S(=O)(\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C#N)c4ccccc4"	0	""	""	2	2	45029399	""
"746691"	"746691"	"(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile"	"O=C(\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C#N)c4ccccc4"	0	""	""	1	1	5986877	""
"746692"	"746692"	"Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl..."	"COC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)C"	0	""	""	1	1	45029402	""
"746694"	"746694"	"Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl..."	"COC(=O)\C(=C/c1c(C)[nH]c2ccccc12)\S(=O)(=O)c3ccccc3"	0	""	""	1	1	45029404	""
"746701"	"746701"	"N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]ca..."	"Clc1ccc(CCNC(=S)N(C(=O)c2ccccc2)c3ccc(Cl)cc3)cc1"	0	""	""	1	1	45029410	""
"746708"	"746708"	"Desmethylbrefeldin A"	"O[C@H]1C[C@H]2\C=C\CCCCOC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	""	""	2	1	45029415	""
"746754"	"746754"	"3-[(Z)-(3-Benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide"	"CC1=Nc2sc(C(=O)N)c(C)c2C(=O)N1\N=C\3/SC=C(N3Cc4ccccc4)c5ccccc5"	0	""	""	1	1	45029420	""
"746803"	"746803"	"4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene"	"c1ccc(cc1)c2cc3c(ncc4n(nc(c5ccccc5)n34)c6ccccc6)n2"	0	""	""	1	1	45029436	""
"746807"	"746807"	"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide"	"O=C(CCCN1c2c(sc3ccccc23)C(=O)n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	2	2	45029440	""
"746809"	"746809"	"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide"	"O=C(CCCN1C(=O)c2sc3ccccc3c2n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	1	1	45029442	""
"746821"	"746821"	"N-Tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)NC(C)(C)C)c3ccc[nH]3"	0	""	""	2	2	135958528	""
"746822"	"746822"	"6-[5-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)Nc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	135932478	""
"746823"	"746823"	"N-Benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)NCc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	135958530	""
"746824"	"746824"	"N-Ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride"	"CCNC(=O)CCCCC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	1	1	135958532	""
"746840"	"746840"	"[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate"	"C[C@H]1CCC\C(=C\CC[C@@]2(C)O[C@@H]2C[C@@H]3[C@@H](OC(=O)C3CSc4ccccc4)[C@@H]1OC(=O)C)\C"	0	""	""	2	2	45029453	""
"746886"	"746886"	"(4'RS)-7',8'-Dichloro-1-ethyl-1',2',4',9'-tetrahydro-9'-..."	"CCN1CCC2(CC1)NC(=O)c3c(C2C#N)c4ccc(Cl)c(Cl)c4n3C"	0	""	""	1	1	45029455	""
"746890"	"746890"	"(3EZ)-3-[3,5-bis(trifluoromethyl)-benzylidene]-6,7-dichl..."	"FC(F)(F)c1cc(\C=C/2\C(=O)Nc3c(Cl)c(Cl)ccc23)cc(c1)C(F)(F)F"	0	""	""	2	2	45029459	""
"746928"	"746928"	"N-[4-[Hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine"	"CCCNc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	2	2	45029482	""
"746930"	"746930"	"Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate"	"COC(=O)CNc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	1	1	45029484	""
"746931"	"746931"	"N-[4-[2-[2-[[4,6-Bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine"	"CCCN(CCSSCCNc1nc(nc(n1)N(C)O)N(C)O)c2nc(nc(n2)N(C)O)N(C)O"	0	""	""	1	1	45029485	""
"746993"	"746993"	"Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carb..."	"COC(=O)c1c(C)c2C=C(C(=O)n2c1C)c3ccccc3"	0	""	""	2	1	11403273	""
"747138"	"747138"	"(3Z)-5-Bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(Br)cc23)cc(OC)c1OC"	0	""	""	2	2	6075235	""
"747139"	"747139"	"(3Z)-5-(Dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3ccc(cc23)N(C)C)cc(OC)c1OC"	0	""	""	2	2	60147486	""
"747141"	"747141"	"(3Z)-1-[(4-Chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(Cc3ccc(Cl)cc3)c4ccccc24)cc(OC)c1OC"	0	""	""	2	1	60147487	""
"747148"	"747148"	"(3Z)-5-Methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one"	"COc1ccc2N(C)C(=O)\C(=C/c3cc(OC)c(OC)c(OC)c3)\c2c1"	0	""	""	2	1	60147488	""
"747152"	"747152"	"(3Z)-5-Hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one"	"COc1cc(\C=C\2/C(=O)Nc3cc(C)c(O)cc23)cc(OC)c1OC"	0	""	""	2	1	60147490	""
"747162"	"747162"	"Mito-tempol"	"CC1(C)CC(CC(C)(C)N1O)OCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4"	0	""	""	2	2	54613387	""
"747167"	"747167"	"Nelfinavir"	"Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C"	0	"PSM"	"FDA approved"	2	1	64143	"159989647"
"747168"	"747168"	"(3Z)-6-Chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one"	"Oc1ccc(\C=C\2/CSc3ccc(Cl)cc3C2=O)cc1"	0	""	""	1	1	25676884	""
"747169"	"747169"	"(2Z)-2-[(4-Hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one"	"COc1ccc2O\C(=C/c3ccc(O)cc3)\C(=O)c2c1"	0	""	""	2	2	54613041	""
"747198"	"747198"	"2-(4-Chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1cc(Cl)ccc1Nc2nc(ccc2C(=O)N\N=C\c3ccccc3Cl)C(F)(F)F"	0	""	""	2	2	46227884	""
"747199"	"747199"	"2-(5-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide"	"Cc1ccc(Cl)cc1Nc2nc(ccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)C(F)(F)F"	0	""	""	2	1	46227829	""
"747251"	"747251"	"Trihexyl(tetradecyl)Phosphonium Bis (Trifluoromethylsulf..."	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	2	11181836	"460092039"
"747252"	"747252"	"Trihexyl(tetradecyl)Phosphonium Hexafluorophosphate"	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	NA	"374683440"
"747253"	"747253"	"Trihexyl(tetradecyl)phosphonium Tetrafluoroborate"	"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC"	0	NA	NA	2	2	NA	"374683553"
"747259"	"747259"	"Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide"	"CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	1	16211009	"375395338"
"747260"	"747260"	"1-Hexadecyl-3-methylimidazolium chloride"	"CCCCCCCCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	2	2734231	"61546018"
"747267"	"747267"	"1-Decyl-3-methylimidazolium chloride"	"CCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	2	2734225	"171058187"
"747268"	"747268"	"1-Decyl-3-methylimidazolium tetrafluoroborate"	"CCCCCCCCCC[n+]1ccn(C)c1"	0	NA	NA	1	1	NA	"244193564"
"747269"	"747269"	"1-Methyl-3-octadecylimidazolium chloride"	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1"	0	""	""	2	1	2734233	"171058198"
"747270"	"747270"	"1-Methyl-3-octadecylimidazolium hexafluorophosphate"	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	NA	""
"747271"	"747271"	"1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfo..."	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F"	0	""	""	2	1	46191760	""
"747272"	"747272"	"1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)tr..."	"CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1.FC(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"	0	""	""	2	1	46191761	""
"747273"	"747273"	"Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate"	"CCCC[P+](CCCC)(CCCC)CCCC.FC(F)(F)C(F)(F)[P-](F)(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F"	0	""	""	1	1	21977446	"482635814"
"747284"	"747284"	"8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,2-dihydro-[2,7]napht..."	"CCOc1nc(cc2C(=C(NC(=O)c12)C(=O)N\N=C\c3ccc(O)cc3O)O)c4ccccc4"	0	""	""	2	2	135968282	""
"747286"	"747286"	"1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccc(O)c(\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5cc(O)ccc5O)c4C(=O)c23)c1"	0	""	""	1	1	135968239	""
"747287"	"747287"	"1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione"	"Oc1ccc(cc1\C=N\CCNc2cccc3C(=O)c4cccc(NCC\N=C\c5cc(ccc5O)[N+](=O)[O-])c4C(=O)c23)[N+](=O)[O-]"	0	""	""	1	1	135968249	""
"747292"	"747292"	"2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)CC(CCC(=O)O)C(=O)O)cnc2n1"	0	""	""	2	2	15950455	""
"747339"	"747339"	"5-(4-Methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine"	"COc1ccc(cc1)c2n[nH]cc2Nc3cc(OC)c(OC)c(OC)c3"	0	""	""	2	2	54612823	""
"747342"	"747342"	"BI-D1870"	"CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12"	0	""	""	2	2	25023738	""
"747378"	"747378"	"N-[(E)-(4-Fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide"	"Fc1ccc(\C=N\NC(=O)c2[nH]c3ccc(I)cc3c2c4ccccc4)cc1"	0	""	""	2	2	54613729	""
"747447"	"747447"	"3,19-(4-N,N-dimethylamino)benzylidineandrographolide"	"CN(C)c1ccc(cc1)C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	2	1	54613734	""
"747448"	"747448"	"3,19-(2,6-Dimethyoxy)benzylidineandrographolide"	"COc1cccc(OC)c1C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	2	1	54612897	""
"747451"	"747451"	"3,19-Benzylidine-14-deoxy-11,12-didehydroandrographolide"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccccc5"	0	""	""	1	1	54612900	""
"747452"	"747452"	"3,19-(4-Acetamido)benzylidineandrographolide"	"CC(=O)Nc1ccc(cc1)C2OCC3(C)C(CCC4(C)C(C\C=C\5/C(O)COC5=O)C(=C)CCC34)O2"	0	""	""	1	1	54612901	""
"747455"	"747455"	"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide"	"FC(F)(F)c1cccc(Nc2ncccc2C(=O)N\N=C\c3c(Cl)cccc3Cl)c1"	0	""	""	1	1	46227858	""
"747457"	"747457"	"N-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N/NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c(O)c1"	0	""	""	2	2	135968276	""
"747458"	"747458"	"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c(O)c1"	0	""	""	2	2	135968272	""
"747459"	"747459"	"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(Cl)cc1\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F"	0	""	""	2	2	135968273	""
"747460"	"747460"	"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	135968274	""
"747461"	"747461"	"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(\C=N\NC(=O)c2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	135968275	""
"747520"	"747520"	"3- METHOXY-5H-8,9-DIMETHYL-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc2c(NC(=O)c3c4cc(C)c(C)cc4cn23)c1"	0	""	""	2	2	54612824	""
"747521"	"747521"	"3- METHOXY-5H-10-FLUORO-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc2c(NC(=O)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	54612825	""
"747522"	"747522"	"3- METHOXY-5H-8-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc2c(NC(=O)c3c4cc(OC)ccc4cn23)c1"	0	""	""	2	2	54612826	""
"747523"	"747523"	"3- METHOXY-5H-9-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc2c(NC(=O)c3c4ccc(OC)cc4cn23)c1"	0	""	""	2	2	54612827	""
"747524"	"747524"	"2- METHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc2NC(=O)c3c4ccccc4cn3c2c1"	0	""	""	2	2	54612828	""
"747525"	"747525"	"1,4- DIMETHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE"	"COc1ccc(OC)c2c1NC(=O)c3c4ccccc4cn23"	0	""	""	2	2	54612829	""
"747526"	"747526"	"3- METHOXY-5H-8,9-DIMETHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6..."	"COc1ccc2c(NC(=O)c3c4cc(OC)c(OC)cc4cn23)c1"	0	""	""	2	2	54612830	""
"747556"	"747556"	"6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-..."	"Cc1cc(O)ccc1C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)N"	0	""	""	2	2	135894397	""
"747558"	"747558"	"6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one"	"CCc1ccc(cc1)C2=NN(C(=O)C=C2)c3ccc(cc3)S(=O)(=O)N"	0	""	""	2	2	54612980	""
"747599"	"747599"	"Nilotinib"	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F"	0	"BCR-ABL|PK:YK"	"FDA approved"	2	2	644241	"641571100"
"747650"	"747650"	"2,3-DIMETHOXY-5H-PYRIDO[3',2':4,5]PYRROLO[3,2-C]CINNOLINE"	"COc1cc2nnc3c4cccnc4[nH]c3c2cc1OC"	0	""	""	2	2	54613653	""
"747651"	"747651"	"2-CHLORO-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C]BENZOTR..."	"Clc1ccc2nnn3c4ncccc4c(N=O)c3c2c1"	0	""	""	2	2	54613654	""
"747652"	"747652"	"2,3-DIMETHOXY-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C][1..."	"COc1cc2nnn3c4ncccc4c(N=O)c3c2cc1OC"	0	""	""	2	2	54613655	""
"747712"	"747712"	"18-benzoyloxy-19-benzoylfuranotriptolide"	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCc6c(OC(=O)c7ccccc7)oc(C(=O)c8ccccc8)c6[C@@H]5C[C@@H]9O[C@]49[C@@H]2O"	0	""	""	2	2	11365101	""
"747803"	"747803"	"2-Hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid"	"OC1Oc2ccccc2C(=O)/C/1=C\Nc3ccc(C(=O)O)c(O)c3"	0	""	""	1	1	23245656	""
"747804"	"747804"	"2-Hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid"	"OC1Oc2ccccc2C(=O)/C/1=C\Nc3ccc(O)c(c3)C(=O)O"	0	""	""	1	1	54612711	""
"747825"	"747825"	"3-(4-fluorophenyl)-8,9-dimethyl-2-oxo-2,5-dihydropyrano[..."	"CC(=O)OC1Oc2cc(C)c(C)cc2C3=C1C=C(C(=O)O3)c4ccc(F)cc4"	0	""	""	1	1	45113107	""
"747856"	"747856"	"Olaparib"	"Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5"	0	"PARP|PARP1"	"FDA approved"	1	1	23725625	"763113220"
"747884"	"747884"	"LDN-193189 HCl"	"C1CN(CCN1)c2ccc(cc2)c3cnc4c(cnn4c3)c5ccnc6ccccc56"	0	""	""	2	1	54613581	""
"747887"	"747887"	"3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid"	"COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1"	0	""	""	2	2	54613582	""
"747973"	"747973"	"Ixabepilone"	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C"	0	"TUBB|Tu-stab"	"FDA approved"	3	1	6445540	"219989841"
"747974"	"747974"	"Raloxifene"	"Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4"	0	"Ho|SERM"	"FDA approved"	2	2	5035	"84449901"
"748084"	"748084"	"N3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxy..."	"COc1ccc2nc(NC(=O)c3cccnc3Nc4cc(OC)c(OC)c(OC)c4)sc2c1"	0	""	""	1	1	54612978	""
"748141"	"748141"	"1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene"	"CCC(=C(c1ccc(O)cc1)c2ccc(O)cc2)C34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C%10=C%11%12"	0	NA	NA	2	2	NA	""
"748145"	"748145"	"5-chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	2	53329233	""
"748146"	"748146"	"5-bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"NC(=O)c1cc(Br)ccc1NC(=O)\C=C\c2ccccc2"	0	""	""	2	1	53329234	""
"748147"	"748147"	"5-methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide"	"Cc1ccc(NC(=O)\C=C\c2ccccc2)c(c1)C(=O)N"	0	""	""	2	2	53329052	""
"748148"	"748148"	"5-iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benz..."	"NC(=O)c1cc(I)ccc1NC(=O)\C=C\c2ccccc2Cl"	0	""	""	2	2	53329762	""
"748253"	"748253"	"7-benzyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	"C(c1ccccc1)n2cc3CCc4cnoc4c3c2"	0	""	""	2	2	54613102	""
"748254"	"748254"	"7-(4-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin..."	"COc1ccc(Cn2cc3CCc4cnoc4c3c2)cc1"	0	""	""	2	2	54613103	""
"748260"	"748260"	"7-benzyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole"	"C(c1ccccc1)n2cc3c(CCc4cnoc34)c2c5ccccc5"	0	""	""	1	1	54613108	""
"748261"	"748261"	"7-(4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1"	0	""	""	2	2	54613109	""
"748262"	"748262"	"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(\C=N\NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c(O)c1"	0	""	""	2	2	135968269	""
"748263"	"748263"	"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCOc1cccc(\C=N\NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c1O"	0	""	""	2	2	135968270	""
"748264"	"748264"	"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"COc1ccc(cc1Nc2ccnc(c2)C(F)(F)F)C(=O)N\N=C\c3ccc(O)cc3O"	0	""	""	2	2	135968271	""
"748265"	"748265"	"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"CCN(CC)c1ccc(\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c(O)c1"	0	""	""	2	2	135968280	""
"748266"	"748266"	"[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone"	"COc1ccccc1n2cnc(N)c2C(=O)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	54613334	""
"748289"	"748289"	"(10S)-3,10-Dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one"	"CSC1=Nc2c(C3=NC(=O)C[C@H](C)N13)c(C)c(c4ccccc4)n2CCCN5CCCCC5"	0	""	""	2	1	54613121	""
"748337"	"748337"	"3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol..."	"Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCNCC5"	0	""	""	2	2	49798416	""
"748378"	"748378"	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone"	"Cc1cc(C)n(n1)C(=O)c2nn(cc2O)c3ccc(Cl)cc3"	0	""	""	1	1	46884875	""
"748381"	"748381"	"1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione"	"Oc1cn(nc1C(=O)N2NC(=O)CC2=O)c3ccc(Cl)cc3"	0	""	""	2	2	46884877	""
"748382"	"748382"	"5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile"	"Nc1c(cnn1C(=O)c2nn(cc2O)c3ccc(Cl)cc3)C#N"	0	""	""	2	1	46865790	""
"748383"	"748383"	"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone"	"Cc1c2CCc3ccccc3c2nn1C(=O)c4nn(cc4O)c5ccc(Cl)cc5"	0	""	""	2	2	46865789	""
"748389"	"748389"	"Tris-N,N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]..."	"OC1=CC=CN(CCCN(CCCN2C=CC=C(O)C2=O)CCN3C=CC=C(O)C3=O)C1=O"	0	""	""	1	1	54613677	""
"748392"	"748392"	"5-Methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride"	"[Cl-].[Cl-].C[n+]1c2ccccc2c(NC3CCNCC3)c4[nH]c5ccccc5c14"	0	""	""	2	2	54612840	""
"748393"	"748393"	"N',N'-Diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride"	"[Cl-].[Cl-].CCN(CC)CCCCNc1c2ccccc2[n+](C)c3c4ccccc4[nH]c13"	0	""	""	2	2	54612841	""
"748394"	"748394"	"5-Methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride"	"C[n+]1c2ccccc2c(Nc3ccc(cc3)N4CCCCC4)c5[nH]c6ccccc6c15"	0	""	""	2	2	51051406	""
"748399"	"748399"	"(4-Methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone"	"COc1ccc(cc1)C(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2"	0	""	""	1	1	51032645	""
"748403"	"748403"	"N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-a..."	"COc1ccc(cc1)N(C)c2ncnc3occ(C)c23"	0	NA	NA	2	2	NA	""
"748404"	"748404"	"5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole"	"COc1ccc(cc1)C2CC(=NN2)c3cc(OC)c(OC)c(OC)c3"	0	""	""	1	1	49865894	""
"748494"	"748494"	"3-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one"	"Nc1cc(nn1C2=NC(=O)C(=NN2)\C=C\c3occc3)c4ccc(Cl)cc4"	0	""	""	2	2	135968229	""
"748497"	"748497"	"KH-CARB13"	"Cn1c2C(=O)NC3(CCNCC3)C(C#N)c2c4ccc(Cl)c(Cl)c14"	0	""	""	2	1	54613583	""
"748498"	"748498"	"(3Z)-6,7-Dichloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one"	"Oc1c(Br)cc(\C=C\2/C(=O)Nc3c(Cl)c(Cl)ccc23)cc1Br"	0	""	""	2	1	45486324	""
"748512"	"748512"	"STL335698"	"CN(C)c1ccc(\C=C(/C#N)\c2nc3ccccc3n2C)cc1"	0	""	""	2	2	5710552	""
"748533"	"748533"	"1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole"	"CC(=O)c1nc2ccccc2n1CC(=O)c3cccc(Cl)c3"	0	""	""	2	2	46911792	""
"748541"	"748541"	"1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-d..."	"COc1ccc(CN2C(=C)c3nc4ccccc4n3C=C2c5cccc(Cl)c5)cc1"	0	""	""	2	2	54613563	""
"748559"	"748559"	"4-(4-chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)ccc1O"	0	""	""	2	1	46919707	""
"748560"	"748560"	"1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pheny..."	"COc1ccc(cc1)C2=CN(C(=O)N2)c3cccc(c3)C(=O)\C=C\c4ccc(O)c(OC)c4"	0	""	""	2	1	46919706	""
"748561"	"748561"	"1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]pheny..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)ccc1O"	0	""	""	2	1	46919705	""
"748583"	"748583"	"ChemDiv3_000482"	"O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C(=O)N1"	0	""	""	2	2	3110612	""
"748641"	"748641"	"S-allylthio mercaptopurine riboside"	"OCC1OC(C(O)C1O)n2cnc3c(SSCC=C)ncnc23"	0	""	""	2	2	54613413	""
"748642"	"748642"	"S-allylthio 6mercaptopurine"	"C=CCSSC1NC=Nc2nc[nH]c12"	0	""	""	2	2	54613414	""
"748643"	"748643"	"Mitaplatin"	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)C(Cl)Cl)[O-]C(=O)C(Cl)Cl"	0	NA	NA	1	1	NA	""
"748653"	"748653"	"methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-..."	"COC1O[C@H](CNC(=O)c2cccc(I)c2)C(OCCCC=C)[C@H](OCc3ccccc3)C1OCc4ccccc4"	0	""	""	1	1	54612763	""
"748668"	"748668"	"4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"CCN(CC)c1ccc(cc1)c2cc(nc(N3CCOCC3)c2C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	54613256	""
"748669"	"748669"	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccccc1\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F"	0	""	""	2	2	135968233	""
"748671"	"748671"	"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"CCOc1cccc(\C=N\NC(=O)c2ccccc2Nc3ccnc(c3)C(F)(F)F)c1O"	0	""	""	2	2	135968235	""
"748673"	"748673"	"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"Oc1ccccc1\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	2	2	135968237	""
"748674"	"748674"	"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"CCOc1cccc(\C=N\NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2)c1O"	0	""	""	1	1	135968238	""
"748695"	"748695"	"Eeyarestatin I (EER-1: N'-(4-chlorophenyl)-N-[3-(4-chlor..."	"CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)N\N=C\C=C\c3oc(cc3)[N+](=O)[O-])c4ccc(Cl)cc4"	0	""	""	2	2	23947580	""
"748705"	"748705"	"N-(5-Chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide"	"Oc1ccc(Cl)cc1NC(=O)Cc2ccc(Nc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	1	1	54612914	""
"748707"	"748707"	"2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(c3cccs3)c(C#N)c(n2)N4CCOCC4"	0	""	""	2	2	54613336	""
"748708"	"748708"	"N-(2-Hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide"	"Oc1ccccc1NC(=O)c2ccc(CNc3ccnc(c3)C(F)(F)F)cc2"	0	""	""	1	1	54613337	""
"748712"	"748712"	"N-(2-Hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Cc1ccc(O)c(NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2)c1"	0	""	""	1	1	54613407	""
"748713"	"748713"	"N-(5-Chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide"	"Oc1ccc(Cl)cc1NC(=O)c2cccc(Nc3ccnc(c3)C(F)(F)F)c2"	0	""	""	1	1	54613408	""
"748715"	"748715"	"N-(2-Hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide"	"Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccnc(c3)C(F)(F)F)cc2)c1"	0	""	""	1	1	54613415	""
"748717"	"748717"	"Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate"	"CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)C)c([n+]2[O-])C(F)(F)F"	0	""	""	2	1	54613595	""
"748722"	"748722"	"NUGXXGLKPAJMEO-UHFFFAOYSA-N"	"CCN1C(=O)NC(=O)C(C)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O"	0	""	""	2	1	24765668	""
"748723"	"748723"	"WEQZEPJNZZNZTG-UHFFFAOYSA-N"	"CCC1(NC(=O)c2cc(F)c(F)c(F)c2F)C(=O)NC(=O)N(C(C)C)C1=O"	0	""	""	1	1	24765568	""
"748724"	"748724"	"MWDYWHXATUVQTR-UHFFFAOYSA-N"	"CCCN1C(=O)NC(=O)C(CC)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O"	0	""	""	2	1	24765667	""
"748742"	"748742"	"STK325130"	"CN1C(=O)N(C)C(=O)C(=Cc2cn(Cc3ccccc3)c4ccccc24)C1=O"	0	""	""	2	2	3114175	""
"748854"	"748854"	"N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxya..."	"COc1cc(Nc2ncccc2C(=O)Nc3nc4ccc(F)cc4s3)cc(OC)c1OC"	0	""	""	1	1	54613686	""
"748870"	"748870"	"J3.519.594G"	"Clc1ccc(cc1)C(=O)\C(=C\c2c([nH]c3ccccc23)c4ccccc4)\C#N"	0	""	""	2	2	54612751	""
"748871"	"748871"	"(E)-2-(Benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile"	"COc1ccc(cc1)c2[nH]c3ccccc3c2\C=C(/C#N)\S(=O)(=O)c4ccccc4"	0	""	""	2	1	54612752	""
"748872"	"748872"	"(E)-2-(Benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile"	"COc1ccc2[nH]c(c(\C=C(/C#N)\S(=O)(=O)c3ccccc3)c2c1)c4ccccc4"	0	""	""	1	1	54612753	""
"748873"	"748873"	"(E)-2-(Benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile"	"COc1ccc(cc1)c2[nH]c3ccc(OC)cc3c2\C=C(/C#N)\S(=O)(=O)c4ccccc4"	0	""	""	2	2	54612754	""
"748875"	"748875"	"(E)-3-Methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one"	"CC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)C"	0	""	""	2	2	54612756	""
"748877"	"748877"	"N-(11,29-Dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-"	"CCCC1CCC(O)(OC1CC)C(C)(O)C(=O)NC2C(OC(=O)C(C)NC(=O)C3CC(O)CNN3C(=O)C4CCCNN4C(=O)C(C)N(O)C(=O)C5CCCNN5C2=O)C(C)C"	0	""	""	2	1	54613466	""
"748878"	"748878"	"2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone"	"CC1=C([Te]c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	2	11090122	""
"748896"	"748896"	"6-[(1,4-Dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide"	"O=C(CCCCCNC1=CC(=O)c2ccccc2C1=O)NCCC[Te]c3ccccc3"	0	""	""	2	1	44521344	""
"748900"	"748900"	"[(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-..."	"C\C=C(/C)\C(=O)N[C@H]1[C@H](C[C@@]2(C)C(CCC3C4CC[C@H](C(C)N(C)C)[C@@]4(C)CCC23)[C@H]1O)OC(=O)C"	0	""	""	2	1	54612848	""
"748901"	"748901"	"[(20S)-20-(N,N-dimethylamino)-3a-(senecoylamino)-5a-preg..."	"CC([C@H]1C(CC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C)OC(=O)C)N(C)C"	0	""	""	2	1	54612849	""
"748902"	"748902"	"[(20S)-20-(N,N-dimethylamino)- 3a-(tigloylamino)-5a-preg..."	"CC([C@H]1CCC2C3CCC4C[C@@H](NC(=O)C=C(C)C)[C@@H](O)C[C@]4(C)C3CC[C@]12C)N(C)C"	0	""	""	2	2	54612850	""
"748903"	"748903"	"[(20S)-20-(N,N-dimethylamino)- 3a-(tigloylamino)-5a-preg..."	"C\C=C(/C)\C(=O)N[C@H]1C(O)C[C@@]2(C)C(CCC3C4CC[C@H](C(C)N(C)C)[C@@]4(C)CCC23)C1O"	0	""	""	2	1	54612851	""
"748904"	"748904"	"[(20S)-20-(N,N-dimethylamino)-5a-preg-3a-aminal], N-form..."	"CC([C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC=O)N(C)C"	0	""	""	2	2	54612852	""
"748905"	"748905"	"Hookerianamide J"	"CC(N(C)C)C1=CCC2C3CCC4[C@@H](O)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C"	0	""	""	2	2	54612853	""
"748906"	"748906"	"Hookerianamide K"	"CC([C@H]1CC=C2C3CCC4=C[C@H](CC[C@]4(C)C3CC[C@]12C)N(C)C)N(C)C"	0	""	""	2	1	54612854	""
"748907"	"748907"	"Hookerianamide H"	"CC([C@H]1CCC2C3CCC4C(=O)C(=CC[C@]4(C)C3CC[C@]12C)NC=O)N(C)C"	0	""	""	2	2	54612855	""
"748908"	"748908"	"Hookerianamide I"	"CNC(C)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)N(C)C(=O)c5ccccc5"	0	""	""	2	2	54612856	""
"748909"	"748909"	"Chonemorphine"	"CC([C@H]1CCC2C3CCC4C[C@@H](N)CC[C@]4(C)C3CC[C@]12C)N(C)C"	0	""	""	2	2	54612857	""
"748911"	"748911"	"Epipachysamine-E-5-en-4-one"	"CNC(C)[C@H]1CCC2C3CC=C4C(=O)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C"	0	""	""	2	1	54612859	""
"748912"	"748912"	"Vagenine A"	"CC([C@H]1CCC2C3CCC4[C@@H](OC(=O)C)[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C=C(C)C)N(C)C"	0	""	""	2	1	54613350	""
"748913"	"748913"	"2,3-Dehydrosarcovagine D"	"C\C=C(/C)\C(=O)NC1=CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C1=O)C(C)N(C)C"	0	""	""	2	2	54612860	""
"748953"	"748953"	"2-(carboxy proxyl)-decyltriphenylphosphonium bromide"	"CC1(C)CC(C(=O)OCCCCCCCCCCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)C(C)(C)N1O"	0	""	""	2	2	54613125	""
"749023"	"749023"	"(E)-3-(Benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one"	"CC(=O)\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)c4ccccc4"	0	""	""	2	2	54613201	""
"749024"	"749024"	"Diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate"	"CCOC(=O)C(=Cc1c([nH]c2ccccc12)c3ccccc3)C(=O)OCC"	0	""	""	2	1	13266383	""
"749025"	"749025"	"(E)-2-(Benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one"	"O=C(\C(=C/c1c([nH]c2ccccc12)c3ccccc3)\S(=O)(=O)c4ccccc4)c5ccccc5"	0	""	""	1	1	54613202	""
"749026"	"749026"	"2-[[2-(4-Methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile"	"COc1ccc(cc1)c2[nH]c3ccccc3c2C=C(C#N)C#N"	0	""	""	2	2	16101433	""
"749027"	"749027"	"2-[(5-Methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile"	"COc1ccc2[nH]c(c(C=C(C#N)C#N)c2c1)c3ccccc3"	0	""	""	1	1	23861723	""
"749028"	"749028"	"2-[[5-Methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile"	"COc1ccc(cc1)c2[nH]c3ccc(OC)cc3c2C=C(C#N)C#N"	0	""	""	2	2	44435255	""
"749029"	"749029"	"Ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate"	"CCOC(=O)\C(=C\c1c([nH]c2ccccc12)c3ccccc3)\C(=O)c4ccc(Cl)cc4"	0	""	""	1	1	54613203	""
"749046"	"749046"	"3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one"	"Clc1ccc2[nH]c(nc2c1)C3=Cc4ccccc4NC3=O"	0	""	""	1	1	135863082	""
"749075"	"749075"	"3-(6/7-chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-]"	0	""	""	1	1	53362836	""
"749076"	"749076"	"3-(7-methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4,..."	"COc1ccc2c(c1)[n+]([O-])c(\C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[n+]2[O-]"	0	""	""	1	1	53362835	""
"749086"	"749086"	"1-carbaldehyde-3-(4-methoxy-phenylsulfanyl)-2H-isoindole"	"COc1ccc(Sc2[nH]c(C=O)c3ccccc23)cc1"	0	""	""	1	1	53361730	""
"749088"	"749088"	"1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole"	"COc1ccc(Sc2[nH]c(C(=O)C)c3ccccc23)cc1"	0	""	""	1	1	53361731	""
"749117"	"749117"	"3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-s..."	"COc1ccc(cc1)C2CC(=NN2c3ccc(cc3)S(=O)(=O)N)c4ccc(OC)cc4O"	0	""	""	1	1	135960825	""
"749145"	"749145"	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	"COc1ccc(cc1)c2nnc(nc2c3ccc(OC)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccccc6"	0	""	""	1	1	54613114	""
"749146"	"749146"	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)c2nnc(nc2c3ccc(OC)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccc(Cl)cc6"	0	""	""	1	1	54613115	""
"749147"	"749147"	"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(OC)cc5)c(n4)c6ccc(OC)cc6)CC2"	0	""	""	2	2	54613116	""
"749148"	"749148"	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone"	"Clc1ccc(cc1)c2nnc(nc2c3ccc(Cl)cc3)N4CCN(CC4)C(=O)CN5CCN(CC5)c6ccccc6"	0	""	""	1	1	54613117	""
"749150"	"749150"	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1cccc(c1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	54613005	""
"749151"	"749151"	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone"	"Clc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	54613006	""
"749152"	"749152"	"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccc(Cl)cc5)c(n4)c6ccc(Cl)cc6)CC2"	0	""	""	1	1	54613007	""
"749160"	"749160"	"2-[4-(4-Chlorophenyl)piperazin-1-yl]-1-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]ethanone"	"Clc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccccc5)c(n4)c6ccccc6)CC2"	0	""	""	1	1	54612995	""
"749161"	"749161"	"1-[4-(5,6-Diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone"	"COc1ccc(cc1)N2CCN(CC(=O)N3CCN(CC3)c4nnc(c5ccccc5)c(n4)c6ccccc6)CC2"	0	""	""	2	2	54612996	""
"749169"	"749169"	"8H-thieno[2'3':4,5]pyrimido[2,1-a]phthalazin-8-one,5-[[3..."	"CN(C)CCCNC1=NN2C(=O)c3c(C)c(C)sc3N=C2c4ccccc14"	0	""	""	2	1	1587482	"380455049"
"749193"	"749193"	"(E)-1-(Benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one"	"O=C(\C=C\c1c([nH]c2ccccc12)c3ccccc3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	54613416	""
"749210"	"749210"	"3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone"	"COc1cc(OC)c(cc1CC=C(C)C)C(=O)\C=C\c2cccc(OC(=O)C)c2"	0	""	""	1	1	54613272	""
"749220"	"749220"	"2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-py..."	"Clc1ccc(cc1)c2cc(\C(=C\c3ccc[nH]3)\C#N)n(n2)c4ccccc4"	0	""	""	2	2	135968258	""
"749226"	"749226"	"Abiraterone"	"C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5"	0	"Ho|CYP17A1"	"FDA approved"	1	1	132971	"154229193"
"749227"	"749227"	"Abiraterone"	"CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC=C4c5cccnc5)[C@@H]3CC=C2C1"	0	"Ho|CYP17A1"	"FDA approved"	1	1	NA	"154229182"
"749245"	"749245"	"N-(3-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl..."	"CCN(CC)c1ccc(\C=C\C(=O)c2cccc(NS(=O)(=O)C)c2)cc1"	0	""	""	1	1	54612807	""
"749292"	"749292"	"3-methoxy-1-nitrosopyrido[3,2:4,5]pyrrolo[1,2-c][1,2,3]b..."	"COc1ccc2c(c1)nnn3c4ncccc4c(N=O)c23"	0	""	""	2	2	54613484	""
"749296"	"749296"	"2-methoxy-5H-pyrido[3,2:4,5]pyrrolo[3,2-c]cinnoline"	"COc1ccc2c(c1)nnc3c4cccnc4[nH]c23"	0	""	""	2	2	54613488	""
"749297"	"749297"	"N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,N-d..."	"COc1ccc(\C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1"	0	""	""	2	2	54613149	""
"749337"	"749337"	"4-(4-chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propen..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)c1"	0	""	""	1	1	49862080	""
"749338"	"749338"	"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)c1"	0	""	""	2	1	49862081	""
"749377"	"749377"	"(R)-4-((1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimeth..."	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]3CSC(=O)N3CO)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	46239449	""
"749379"	"749379"	"(E)-1-[4-[[4-Anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(\C=C\C(=O)c2ccc(Nc3nc(Nc4ccccc4)nc(Nc5ccc(Cl)cc5)n3)cc2)cc(OC)c1OC"	0	""	""	1	1	54613477	""
"749380"	"749380"	"2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3ccc(Nc4nc(Nc5ccccc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	2	2	54613688	""
"749382"	"749382"	"4-N-[4-[2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	"COc1ccc(cc1)c2cc(nc(N)n2)c3ccc(Nc4nc(Nc5ccccc5)nc(Nc6ccc(Cl)cc6)n4)cc3"	0	""	""	1	1	54612921	""
"749425"	"749425"	"h8631"	"OCC1OC(CC1O)N2C=C(CO)C(=O)NC2=O"	0	""	""	1	1	5201346	"5116245"
"749505"	"749505"	"3,4-diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one"	"O=C1NN=C(c2ccccc2)c3c(onc13)c4ccccc4"	0	""	""	2	2	54613569	""
"749518"	"749518"	"1-[(2Z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazo..."	"N\C(=C/C(=O)n1nc(cc1N)c2ccccc2)\c3ccccc3"	0	""	""	1	1	21825201	""
"749550"	"749550"	"3-amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carbox..."	"Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccc(Cl)cc14"	0	""	""	2	2	51033073	""
"749600"	"749600"	"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate"	"CCOC(=O)CC1C(COC(=O)NC)OC(C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	""	""	1	1	54613610	""
"749646"	"749646"	"1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone"	"COc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccc(Cl)cc4)c5ccccc5)C(=O)C"	0	""	""	2	1	46912850	""
"749650"	"749650"	"10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccc(Cl)cc5"	0	""	""	1	1	46838535	""
"749651"	"749651"	"10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccc(F)cc5"	0	""	""	1	1	46838670	""
"749652"	"749652"	"10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine"	"Nc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccccc5"	0	""	""	1	1	46838672	""
"749673"	"749673"	"N1-(2,15-dioxo-1-(pyren-1-yl)-6,9,12-trioxa-3,16-diazano..."	"CN(CCCNC(=O)CCOCCOCCOCCNC(=O)Cc1ccc2ccc3cccc4ccc1c2c34)CCCNc5cc(nc6ccccc56)c7ccc8ccccc8c7"	0	""	""	2	2	54613693	""
"749675"	"749675"	"3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,6-e][1,2,4]tri..."	"CN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(Cl)cc3"	0	""	""	2	2	460749	""
"749712"	"749712"	"AT-13387"	"CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	NA	""
"749713"	"749713"	"(E)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetr..."	"CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)\C(=O)O1"	0	""	""	2	2	25053525	""
"749714"	"749714"	"(E)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzy..."	"CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)\C(=O)O1"	0	""	""	1	1	25053461	""
"749717"	"749717"	"2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile"	"CCc1ccccc1N2C(=C(C#N)C(=C(C#N)C2=O)c3ccc(OC)c(OC)c3)N"	0	""	""	1	1	54612904	""
"749732"	"749732"	"N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine"	"Nc1nc(N(Cc2ccccc2)c3ccccc3)c4cn[nH]c4n1"	0	""	""	1	1	54613473	""
"749792"	"749792"	"hexyl diethylcarbamo(dithioperoxo)thioate"	"CCCCCCSSC(=S)N(CC)CC"	0	""	""	1	1	46700805	""
"749793"	"749793"	"2-hydroxyethyl diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSCCO"	0	""	""	1	1	46700806	""
"749794"	"749794"	"cyclohexyl diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSC1CCCCC1"	0	""	""	1	1	46197114	""
"749795"	"749795"	"isopropyl diethylcarbamo(dithioperoxo)thioate"	"CCN(CC)C(=S)SSC(C)C"	0	""	""	1	1	46197112	""
"749798"	"749798"	"Z-Endoxifen"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	NA	NA	2	2	NA	"112093284"
"749802"	"749802"	"(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidaz..."	"COc1ccc(cc1OC)C(=O)\C=C\c2c(nc3sccn23)C(F)(F)F"	0	""	""	1	1	51353472	""
"749804"	"749804"	"(E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thi..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sc(C)cn23)c4ccc(F)cc4"	0	""	""	1	1	51353357	""
"749805"	"749805"	"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-nap..."	"Oc1cccc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc5ccccc5c4)c1"	0	""	""	1	1	54613695	""
"749856"	"749856"	"2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione"	"COC1=NC2=C(CN(C(=O)CN2C)c3ccccc3)C(=O)N1C"	0	""	""	1	1	54613014	""
"749858"	"749858"	"6-Cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione"	"CSC1=NC2=C(CN(C3CCCCC3)C(=O)C(N2)c4ccccc4)C(=O)N1C"	0	""	""	1	1	54613016	""
"749862"	"749862"	"3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyr..."	"COc1ccc(cc1)c2nc(cs2)c3cn(C)c4ncccc34"	0	""	""	1	1	54613605	""
"749863"	"749863"	"3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b..."	"Clc1ccc(cc1)c2nc(cs2)c3c[nH]c4ncccc34"	0	""	""	1	1	54613606	""
"749867"	"749867"	"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b..."	"Fc1cccc(c1)c2nc(cs2)c3c[nH]c4ncccc34"	0	""	""	1	1	54613609	""
"749868"	"749868"	"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrr..."	"Cn1cc(c2csc(n2)c3cccc(F)c3)c4cccnc14"	0	""	""	1	1	53361472	""
"749870"	"749870"	"1-methyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrr..."	"Cc1ccc(cc1)c2nc(cs2)c3cn(C)c4ncccc34"	0	""	""	2	2	53361471	""
"749871"	"749871"	"Ethyl 9-methyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetrahyd..."	"CCOC(=O)c1[nH]c2CSC3=C(NC(=O)C(=C3)S(=O)(=O)c4ccccc4)c2c1C"	0	""	""	1	1	54612951	""
"749872"	"749872"	"Ethyl 7,9-dimethyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetr..."	"CCOC(=O)c1c(C)c2C3=C(SCc2n1C)C=C(C(=O)N3)S(=O)(=O)c4ccccc4"	0	""	""	1	1	54612952	""
"749874"	"749874"	"8-Methyl-3-(phenylsulfonyl)-6,7-dihydropyrrolo[3',2':4,5..."	"Cc1cc2C3=C(SCc2[nH]1)C=C(C(=O)N3)S(=O)(=O)c4ccccc4"	0	""	""	2	2	54612954	""
"749884"	"749884"	"Ethyl 1-benzyl-3-methyl-4-oxo-1,4,5,7-tetrahydrothiopyra..."	"CCOC(=O)c1c(C)c2C(=O)CSCc2n1Cc3ccccc3"	0	""	""	1	1	54613702	""
"749908"	"749908"	"ferric-taxol"	"CC(=O)O[C@@H]1C2=C(C)[C@@H]3C[C@@]4([C@H]5OC(=[O][Fe+3]67([O]=C(O3)[C@@H]([C@@H](NC(=O)c8ccccc8)c9ccccc9)[O-]6)([O]=C1[C@]%10(C)[C@H](C[C@H]%11OC[C@@]%11(OC(=O)C)[C@@H]5%10)[O-]7)[O-]4)c%12ccccc%12)C2(C)C"	0	""	""	2	2	54612932	""
"749909"	"749909"	"4-methoxy-2,6-bis[hydroxy(methyl)amino]-1,3,5-triazine"	"COc1nc(nc(n1)N(C)O)N(C)O"	0	""	""	1	1	46191705	""
"749910"	"749910"	"bis[4-morpholino-2,6-bis[hydroxy(methyl)amino]-1,3,5-tri..."	"CN1[OH+][Fe+3]234([O-]N(C)c5nc(nc1[n+]25)N6CCOCC6)[O-]N(C)c7nc(nc(N(C)[O-]3)[n+]47)N8CCOCC8"	0	""	""	1	1	54613128	""
"749923"	"749923"	"g-tpp"	"CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	NA	""
"749924"	"749924"	"Gamitrinib-G4"	"COC1CC(C)CC2=C(NCCCNC(=O)CCCN3C(=O)CC(SCC4CCN5CCC(CSCC6CCN7CCC(CSCC8CCN9CCC(CSCC%10CCN%11CCC(CO[Si](c%12ccccc%12)(c%13ccccc%13)C(C)(C)C)N=C%11N%10)N=C9N8)N=C7N6)N=C5N4)C3=O)C(=O)C=C(NC(=O)\C(=C\C=C/C(OC)C(OC(=O)N)\C(=C\C(C)C1O)\C)\C)C2=O"	0	NA	NA	2	2	NA	""
"750003"	"750003"	"2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	"COc1ccc(CN2CCc3c(Cl)nc(N)nc3C2=O)c(OC)c1"	0	""	""	1	1	54613055	""
"750034"	"750034"	"[(4E)-4-[2-[3-(2-Bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate"	"CC(=O)OC1COC(=O)/C/1=C/CC2C(=C)CCC3C4(C)COC(OC4CCC23C)c5ccccc5Br"	0	""	""	2	1	54613248	""
"750035"	"750035"	"[(4E)-4-[2-(3,3,6a,10b-Tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate"	"CC(=O)OC1COC(=O)/C/1=C/CC2C(=C)CCC3C2(C)CCC4OC(C)(C)OCC34C"	0	""	""	2	2	25121273	""
"750038"	"750038"	"4-[(E)-2-[3-(4-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccc(Cl)cc5"	0	""	""	1	1	54613025	""
"750039"	"750039"	"4-[(E)-2-[3-(3-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5cccc(Cl)c5"	0	""	""	1	1	54613026	""
"750040"	"750040"	"4-[(E)-2-[3-(2-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one"	"CC12COC(OC1CCC3(C)C2CCC(=C)C3\C=C\C4=CCOC4=O)c5ccccc5Cl"	0	""	""	1	1	54613027	""
"750050"	"750050"	"2,2',4,4',6,6'-Hexamethoxychalcone"	"COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	2	2	6312440	""
"750054"	"750054"	"3-(3,7-dimethyl-1,4-dioxyquinoxalin-2-yl)-1-(3,4,5-trime..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(C)cc3[n+]2[O-]"	0	""	""	2	2	53362837	""
"750100"	"750100"	"4-[5-(phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benze..."	"NS(=O)(=O)c1ccc(cc1)n2nc(C[Se]C#N)cc2c3ccccc3"	0	""	""	2	2	24770674	""
"750104"	"750104"	"5,10-dimethoxybenzo[g]quinolin-2(1H)-one"	"COc1c2NC(=O)C=Cc2c(OC)c3ccccc13"	0	""	""	2	2	54612875	""
"750106"	"750106"	"5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)..."	"COc1ccc(cc1)C2=CC(=O)Nc3c(OC)c4ccccc4c(OC)c23"	0	""	""	2	2	54613526	""
"750107"	"750107"	"5-chloro-7H-naphtho[3,2,1-ij][2,7]naphthyridin-7-one"	"Clc1cc2ccnc3c4ccccc4C(=O)c(n1)c23"	0	""	""	2	2	54613527	""
"750146"	"750146"	"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl..."	"Cc1cc(O)c(cc1Cl)C2=NN(C(C2)c3ccccc3O)c4ccc(cc4)S(=O)(=O)N"	0	""	""	2	2	135968246	""
"750148"	"750148"	"3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)..."	"Cc1cc(O)c(cc1Cl)C2=NN(C(C2)\C=C\c3ccccc3)c4ccc(cc4)S(=O)(=O)N"	0	""	""	1	1	135968248	""
"750153"	"750153"	"Salarin A"	"CCCCCCCC(=O)OCC\C=C\C1OC1C2OC(=O)\C=C/C=C/C(=O)N(C(=O)C)C(=O)\C=C(\C)/CCC3OC3C2OC(=O)NC(=O)C"	0	""	""	1	1	24766296	""
"750154"	"750154"	"salarin C"	"CCCCCCCC(=O)OCC\C=C\C1OC1C2OC(=O)\C=C/C=C/c3nc(oc3C)\C=C(\C)/CCC4OC4C2OC(=O)NC(=O)C"	0	""	""	2	2	24867082	""
"750180"	"750180"	"(3S,3As,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile"	"C[C@H]1C[C@@H](CC(C)(C)C#N)[C@H]2[C@@H]3[C@@H]1CC[C@H](C)[C@]3(CCC2=C)C#N"	0	""	""	1	1	54613706	""
"750182"	"750182"	"e-endoxifen"	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCNC)cc2)\c3ccccc3"	0	""	""	2	2	3035980	"114828909"
"750210"	"750210"	"2-(2-Hydroxyethyl)-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one"	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	15516367	""
"750211"	"750211"	"5-(2-hydroxyethyl)-9-phenyl-6,9-dihydro-[1,3]dioxolo[4,5..."	"OCCN1C2=C(C(c3ccccc3)c4cc5OCOc5cc14)C(=O)OC2"	0	""	""	1	1	50900736	""
"750213"	"750213"	"4-(2-hydroxyethyl)-10-phenyl-3,4,6,7,8,10-hexahydro-1H-c..."	"OCCN1C2=C(C(c3ccccc3)c4cc5CCCc5cc14)C(=O)OC2"	0	""	""	2	2	50900824	""
"750227"	"750227"	"N-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]propanamide"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)CCSC3=C(C)C(=O)c4ccccc4C3=O"	0	""	""	2	2	44226544	""
"750233"	"750233"	"(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione"	"CCN(CC)c1ccc(\C=C/2\NC(=O)NC2=O)cc1"	0	""	""	2	2	6376972	""
"750255"	"750255"	"[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate"	"OC1(CC(CSC#N)OC(C1c2ccccc2)c3ccc(F)cc3)c4ccccc4"	0	""	""	2	2	54613759	""
"750285"	"750285"	"DP1"	"Oc1ccc(cc1)C(=C2CCC34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C2%10=C%11%12)c%13ccc(O)cc%13"	0	NA	NA	2	2	NA	""
"750289"	"750289"	"[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate"	"OC1(CC(CSC#N)OC(C1)c2ccc(Cl)cc2)c3ccccc3"	0	""	""	2	1	54613214	""
"750324"	"750324"	"9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	"CC1(C)C(O)CCC2(C)C1CCC3(C)C2CCC4C5C(CCC5(CCC34C)C(=O)O)C(=C)C=O"	0	""	""	2	2	22149181	""
"750325"	"750325"	"9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid"	"CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(OC(=O)NCc6ccccc6)C(C)(C)C5CCC34C)C12)C(=O)O"	0	""	""	1	1	54613426	""
"750330"	"750330"	"4-phenyl-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccccc4)cc(OC)c1OC"	0	""	""	1	1	49862043	""
"750331"	"750331"	"4-(3,4,5-trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyp..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	""	""	1	1	49862041	""
"750332"	"750332"	"4-(4-chlorophenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2..."	"COc1cc(\C=C\C(=O)c2cccc(c2)N3C=C(NC3=O)c4ccc(Cl)cc4)cc(OC)c1OC"	0	""	""	1	1	49862040	""
"750334"	"750334"	"4-(4-methoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-..."	"COc1ccc(cc1)C2=CN(C(=O)N2)c3cccc(c3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	49862042	""
"750335"	"750335"	"(E)-3-(2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-1-..."	"COc1ccc(cc1)c2nc3ccccn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	54613570	""
"750340"	"750340"	"(E)-3-(2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl..."	"COc1ccc(cc1OC)c2nc3ccccn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	54613357	""
"750341"	"750341"	"7,8-dihydroxyflavone"	"Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3"	0	""	""	1	1	1880	"38183038"
"750343"	"750343"	"2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one"	"COc1ccc(CN2CCc3c(Sc4ccccc4)nc(N)nc3C2=O)c(OC)c1"	0	""	""	1	1	54613057	""
"750393"	"750393"	"z-endoxifen hydrochloride"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	""	""	2	1	54613017	"1032008744"
"750395"	"750395"	"Methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate"	"COC(=O)c1cc2cc(cnc2[nH]1)c3ccc(OC)cc3"	0	""	""	2	2	54613075	""
"750399"	"750399"	"6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine"	"Clc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc(c4)N5CCNCC5"	0	""	""	1	1	54613079	""
"750421"	"750421"	"GPP78"	"O=C(CCCCCCCn1cc(nn1)c2cccnc2)Nc3ccccc3c4ccccc4"	0	""	""	2	2	44819697	""
"750423"	"750423"	"10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine mo..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NNC(=S)N"	0	""	""	2	2	54613618	""
"750424"	"750424"	"pu-h71.2hcl"	"CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c(N)ncnc14"	0	NA	NA	2	2	NA	""
"750440"	"750440"	"(13R,17R)-13-Methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione"	"CC(C)CCC[C@@H](C)[C@H]1CCC2C3=CCC4C(C3CC[C@]12C)C(=O)C=CC4=O"	0	""	""	2	2	54613423	""
"750441"	"750441"	"(14R,15R)-15-Methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione"	"CC(C)CCC[C@@H](C)[C@H]1CCC2C3=CCN4N(C3CC[C@]12C)C(=O)C=CC4=O"	0	""	""	2	1	54613624	""
"750485"	"750485"	"[(1H-benzimidazole-2-yl)dithio]-9H-purine"	"S(Sc1nc2cncnc2[nH]1)c3nc4ccccc4[nH]3"	0	""	""	2	2	54613148	""
"750491"	"750491"	"Nakiterpiosin"	"C[C@H]1C[C@@H](OC1=O)[C@@H](O)[C@@H](C(Cl)Cl)c2ccc3[C@@H]4C[C@@H](Br)[C@@]56O[C@@H](CO[C@H]5O)CC6(C)[C@H]4C(=O)c3c2C"	0	""	""	2	2	54613361	""
"750493"	"750493"	"2-(2-hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,3,4-..."	"Oc1ccccc1C2SCC(=O)N2c3oc(Cn4ccnc4)nn3"	0	""	""	1	1	54613708	""
"750501"	"750501"	"1,5-bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydroc..."	"CCCCNC(=N)c1ccc(OCCSCCOc2ccc(cc2)C(=N)NCCCC)cc1"	0	""	""	1	1	54613223	""
"750510"	"750510"	"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one"	"Clc1cccc(Cl)c1N2C(=O)\C(=C/C3=COc4ccccc4C3=O)\c5ccccc25"	0	""	""	1	1	49844091	""
"750634"	"750634"	"Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride"	"CC(C)(C)P1(C)c2nc3ccccc3nc2P(C)([Au+]14P(C)(c5nc6ccccc6nc5P4(C)C(C)(C)C)C(C)(C)C)C(C)(C)C"	0	""	""	2	1	54613360	""
"750685"	"750685"	"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine"	"CSc1nc(N)c2N=C3C(CCc4ccccc34)C(Nc2n1)c5ccccc5"	0	""	""	1	1	54612800	""
"750690"	"750690"	"Sunitinib"	"CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C"	0	"PK:YK,PDGFR,KIT,VEGFR,Multikinase"	"FDA approved"	6	6	5329102	"557795194"
"750691"	"750691"	"Afatinib"	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	10184653	"439081182"
"750717"	"750717"	"5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,9-dihydro-[1,3]..."	"COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	50900735	""
"750718"	"750718"	"9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-hydroxyethyl)-6,9..."	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5OCOc5cc24"	0	""	""	2	2	50900821	""
"750720"	"750720"	"6-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-2,3,7,10-..."	"COc1cc(cc(OC)c1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	50900825	""
"750721"	"750721"	"10-(3,4-dimethoxyphenyl)-6-(2-hydroxyethyl)-2,3,7,10-tet..."	"COc1ccc(cc1OC)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	50900826	""
"750722"	"750722"	"6-(2-hydroxyethyl)-10-(3-methoxyphenyl)-2,3,7,10-tetrahy..."	"COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	50900910	""
"750723"	"750723"	"6-(2-hydroxyethyl)-10-phenyl-2,3,7,10-tetrahydro-[1,4]di..."	"OCCN1C2=C(C(c3ccccc3)c4cc5OCCOc5cc14)C(=O)OC2"	0	""	""	2	2	50900911	""
"750742"	"750742"	"(E)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,1-b] thiaz..."	"COc1ccc(cc1)c2nc3sc(C)cn3c2\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	1	1	51353353	""
"750743"	"750743"	"(E)-3-(6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5-yl)-1-(3..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sccn23)c4cccs4"	0	""	""	1	1	50908742	""
"750744"	"750744"	"(E)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(nc3sc(C)cn23)c4cccs4"	0	""	""	1	1	54613218	""
"750746"	"750746"	"(E)-1-(3,4-dimethoxyphenyl)-3-(2-(trifluoromethyl)imidaz..."	"COc1ccc(cc1OC)C(=O)\C=C\c2c(nc3ccccn23)C(F)(F)F"	0	""	""	2	2	54599698	""
"750759"	"750759"	"7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,5,6,7-t..."	"CN1C(=O)C(=CC2=C1c3cnn(c3CC2)c4ccc(Cl)cc4)S(=O)(=O)c5ccccc5"	0	""	""	1	1	54613020	""
"750762"	"750762"	"2-methoxy-7-benzyl-3-(phenylsulfonyl)-6,7-dihydro-5H-pyr..."	"COc1nc2c(CCc3c2cnn3Cc4ccccc4)cc1S(=O)(=O)c5ccccc5"	0	""	""	1	1	54613023	""
"750774"	"750774"	"4-[N-Sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine"	"NS(=O)(=O)N(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c3cc(cc(c3)C(F)(F)F)C(F)(F)F"	0	""	""	1	1	54613153	""
"750802"	"750802"	"N-[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide"	"COc1cc(ccc1NC(=O)COc2ccc(Cl)cc2)c3nc4ccccc4s3"	0	""	""	1	1	54613630	""
"750838"	"750838"	"N-[4-(1,3-Benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide"	"Clc1ccc(SCC(=O)Nc2ccc(c(Cl)c2)c3nc4ccccc4s3)cc1"	0	""	""	1	1	22781840	""
"750842"	"750842"	"2-(1H-Benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide"	"Clc1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1c4nc5ccccc5s4"	0	""	""	1	1	54613168	""
"750859"	"750859"	"[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic aci..."	"Oc1ccccc1\C=N\NC(=O)Cc2csc3nc(cn23)c4ccc(Cl)cc4"	0	""	""	1	1	135968290	""
"750870"	"750870"	"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-d..."	"COc1cc(cc(OC)c1OC)\C(=C/2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5ccc6ccccc6c5"	0	""	""	1	1	54613227	""
"750873"	"750873"	"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-me..."	"COc1ccc(cc1O)\C(=C/2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	54576091	""
"750892"	"750892"	"2,7-Bis-[2-(2-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8..."	"COc1ccccc1CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46"	0	""	""	2	1	54613234	""
"750908"	"750908"	"3-Hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide"	"Oc1cc2ccccc2cc1C(=O)NNC(=O)\C=C\c3oc(cc3)[N+](=O)[O-]"	0	""	""	2	2	53241629	""
"750912"	"750912"	"2-Oxo-2-(3-phenyltellanyl)propylamino)ethyl 3-(3-methyl-..."	"CC1=C(SCCC(=O)OCC(=O)NCCC[Te]c2ccccc2)C(=O)c3ccccc3C1=O"	0	""	""	2	1	44226543	""
"750915"	"750915"	"(E)-N-[(E)-Benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	"COc1ccc(OC)c(\C=C\C(=O)N\N=C\c2ccccc2)c1"	0	""	""	1	1	54613059	""
"750916"	"750916"	"(E)-N-[(E)-(4-Chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide"	"COc1ccc(OC)c(\C=C\C(=O)N\N=C\c2ccc(Cl)cc2)c1"	0	""	""	2	2	54613060	""
"750937"	"750937"	"WZB117"	"Oc1cccc(c1)C(=O)Oc2cccc(F)c2OC(=O)c3cccc(O)c3"	0	""	""	1	1	46830365	""
"750970"	"750970"	"3-[(E)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimid..."	"Fc1ccc(cc1)S(=O)(=O)N2CCC(CC2)c3nc(\C=C/4\C(=O)Nc5ccccc45)c6ccccn36"	0	""	""	1	1	54613720	""
"751042"	"751042"	"Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate"	"COC(=O)c1ccc2c(c1)nc(C3=Cc4ccccc4NC3=O)n2c5cc(n[nH]5)C(C)(C)C"	0	""	""	2	2	135968230	""
"751109"	"751109"	"(Z)-5-((E)-3-(4-(diethylamino)phenyl)allylidene)imidazol..."	"CCN(CC)c1ccc(\C=C\C=C\2/NC(=O)NC2=O)cc1"	0	""	""	1	1	53495015	""
"751131"	"751131"	"Tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)CNC(=O)OC(C)(C)C"	0	""	""	1	1	54613363	""
"751132"	"751132"	"N-(4-Methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide"	"COc1ccc(cc1)N(CC(=O)NCCC[Te]c2ccccc2)C(=O)c3ccccc3"	0	""	""	1	1	54613364	""
"751151"	"751151"	"N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,6..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)N=NC(=S)N.CC(=O)O.CC(=O)O[Na]"	0	""	""	2	2	54613368	""
"751152"	"751152"	"3-(6/7-trifluoro-3-methyl-1,4-dioxy-quinoxaline-2-yl)-1-..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c(C)[n+]([O-])c3ccc(cc3[n+]2[O-])C(F)(F)F"	0	""	""	2	2	54613307	""
"751165"	"751165"	"KGEJYSFIEAQAKU-UHFFFAOYSA-N"	"ONC(=O)CCCCCCc1nc2cc(Br)ccc2[nH]1"	0	""	""	2	1	54613496	""
"751166"	"751166"	"N-Hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide"	"COCCn1c(Nc2ccc(cc2)C(=O)NO)nc3ccccc13"	0	""	""	1	1	49831244	""
"751266"	"751266"	"2-(1-Anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	"Cc1nc(SCC(=O)Nc2nc(cs2)c3ccc(Cl)cc3)n(Nc4ccccc4)c1C"	0	""	""	1	1	54613367	""
"751269"	"751269"	"2-[4,5-Dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide"	"Cc1ccc(Nn2c(C)c(C)nc2SCC(=O)Nc3nc(cs3)c4ccccc4)cc1"	0	""	""	1	1	54613544	""
"751271"	"751271"	"N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide"	"COc1ccc(Nn2c(C)c(C)nc2SCC(=O)Nc3nc(cs3)c4ccc(Cl)cc4)cc1"	0	""	""	1	1	54613443	""
"751275"	"751275"	"STK219798"	"CC1=NN(C(=O)/C/1=C\C=C\c2ccccc2)c3cccc(Cl)c3"	0	""	""	1	1	6485117	""
"751277"	"751277"	"2-(3-Chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one"	"CC1=NN(C(=O)/C/1=C\c2cc3ccccc3cc2O)c4cccc(Cl)c4"	0	""	""	1	1	54613497	""
"751278"	"751278"	"(3Z)-1-(2,6-Dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one"	"Clc1cccc(Cl)c1N2C(=O)\C(=C/c3ccccn3)\c4ccccc24"	0	""	""	2	1	49845169	""
"751281"	"751281"	"desmethyleleutherobin"	"CC(C)[C@H]1CC=C(C)[C@@H]2CC(OC(=O)\C=C\c3cn(C)cn3)[C@@]4(C)O[C@](O)(C=C4)\C(=C/C12)\COC5OCC(O)C(O)C5OC(=O)C"	0	""	""	2	2	54613300	""
"751286"	"751286"	"wa007-00"	"Cn1c2ccccc2c3nnc(NNCc4ccccn4)nc13"	0	""	""	2	1	54613170	""
"751295"	"751295"	"diaporthein B"	"CC1(C)CCC[C@]23CO[C@](O)(C(=O)C4=C[C@](C)(CC(O)C24O)C=C)C13O"	0	""	""	2	2	54612739	""
"751297"	"751297"	"Y-27632"	"C[C@@H](N)[C@@H]1CC[C@H](CC1)C(=O)Nc2ccncc2"	0	"RHO"	"Clinical trial"	1	1	NA	"129830382"
"751298"	"751298"	"N-(4-chlorophenyl)-3-hydroxy-2-naphthamide"	"Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"751300"	"751300"	"2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3..."	"NCCCOc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3OC(=O)c4cc5ccccc5cc4OCCCN"	0	""	""	2	1	54613723	""
"751342"	"751342"	"12H-Benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide, N-[2..."	"CN(C)CCNC(=O)C1=CC=CN2C(=O)c3cc4ccccc4cc3N=C12"	0	""	""	2	1	3508054	"896705161"
"751382"	"751382"	"N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonam..."	"CN(c1ccc(NC(=O)c2ccc3OCOc3c2)cc1OCc4cc(C)ccc4C)S(=O)(=O)C"	0	""	""	2	2	56967399	""
"751393"	"751393"	"2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(pheny..."	"CCN1C(=C2SC(=C(S2)C(=O)c3ccccc3)C(=O)c4ccccc4)C(=S)SC5=C1C(=O)\C(=N\c6ccccc6)\S5"	0	""	""	2	2	60147505	""
"751418"	"751418"	"coc1ccc(cc1)c2nc(\c=c\3/sc(=nc3=o)ncc4ccccc4)c5ccccn25"	""	0	""	""	2	1	136040088	"C25H20N4O2S"
"751465"	"751465"	"Go-Y032"	"COc1ccc(\C=C\2/CCC\C(=C/c3ccc(OC)c(OC)c3)\C2=O)cc1OC"	0	""	""	1	1	1714173	""
"751494"	"751494"	"(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-Dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one"	"C[C@H]1CC[C@@H]2C[C@H](C[C@@](OCCc3ccccc3)(O2)[C@@H]4CSC(=O)N4)OC(=O)\C=C(\C)/CC\C=C\C=C/1"	0	""	""	2	2	46239554	""
"751500"	"751500"	"8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1ccc(cc1OC)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	2	2	54579427	""
"751501"	"751501"	"8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	2	2	54579200	""
"751502"	"751502"	"2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one"	"COc1ccc(cc1)C2C3=C(COC3=O)N(CCO)c4cc5CCCc5cc24"	0	""	""	1	1	54579201	""
"751503"	"751503"	"17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one"	"COc1cc(cc(OC)c1O)C2C3=C(COC3=O)N(CCO)c4cc5OCCOc5cc24"	0	""	""	2	2	54579202	""
"751516"	"751516"	"6,7-dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxym..."	"COc1ccc(cc1OC)[C@@H]2C(CO)C(=Cc3cc(OC)c(OC)cc23)C=O"	0	""	""	1	1	60147549	""
"751548"	"751548"	"salinomycin"	"CC[C@H](C1CC[C@H](C)C(O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)C5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	"Apo|Ab|CD133"	"FDA approved"	2	2	60147550	"55721318"
"751600"	"751600"	"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydr..."	"[Cl-].[Cl-].COc1ccc2Nc3cc(ccc3\C(=N/Nc4ccccc4)\c2c1)[N+](=O)[O-].COc5ccc6nc7cc(ccc7c(NNc8ccccc8)c6c5)[N+](=O)[O-]"	0	""	""	1	1	60147553	""
"751605"	"751605"	"(E)-N-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-y..."	"O=C(NCCCCC1CCCN(C1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	""	""	2	2	18425712	"201034755"
"751619"	"751619"	"2-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol"	"Oc1ccc(Cc2ccc(O)c(c2)C3CC(=NN3)c4ccc(Cl)cc4)cc1C5CC(=NN5)c6ccc(Cl)cc6"	0	""	""	2	1	53306274	""
"751620"	"751620"	"4-[[4-Hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol"	"COc1ccc(cc1)C2=NNC(C2)c3cc(Cc4ccc(O)c(c4)C5CC(=NN5)c6ccc(OC)cc6)ccc3O"	0	""	""	1	1	53306275	""
"751623"	"751623"	"(9E)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one"	"CSC1=NC2=C(C(C3=C(N2)\C(=C\c4ccccc4)\CCC3)c5ccccc5)C(=O)N1C"	0	""	""	1	1	60147558	""
"751642"	"751642"	"Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,..."	"CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@@H]5C[C@@H]7O[C@]47[C@@H]2OC(=O)CN(C)C"	0	""	""	2	2	15867606	""
"751644"	"751644"	"LDN-211904"	"Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4"	0	""	""	2	2	46175113	""
"751829"	"751829"	"2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenyl..."	"OC1CCN(CC1)c2nc(Nc3cccc(c3)C(F)(F)F)c4C(=O)NC=Cc4n2"	0	""	""	1	1	58494270	""
"751830"	"751830"	"2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)p..."	"OC1CCN(CC1)c2nc(Nc3ccc(cc3)N4CCOCC4)c5C(=O)NC=Cc5n2"	0	""	""	2	2	58494192	""
"751833"	"751833"	"2-((1R,2R)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)..."	"CS(=O)(=O)c1ccc(Nc2nc(N[C@H]3CCCC[C@H]3N)nc4C=CNC(=O)c24)cc1"	0	""	""	1	1	60147618	""
"751836"	"751836"	"2-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethoxypheny..."	"COc1cc(Nc2nc(N[C@H]3CCCC[C@@H]3N)nc4C=CNC(=O)c24)cc(OC)c1"	0	""	""	1	1	60147620	""
"751858"	"751858"	"N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine"	"N(c1ccccn1)c2nc(cs2)c3ccccn3"	0	"HDAC"	""	2	2	772885	""
"751860"	"751860"	"6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-pu..."	"o1c(SSc2ncnc3[nH]cnc23)nnc1c4ccncc4"	0	""	""	1	1	60147622	""
"751864"	"751864"	"(3Z)-3-[[1-(2,6-Dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one"	"Clc1cccc(Cl)c1C(=O)n2cc(\C=C\3/C(=O)Nc4ccccc34)c5ccccc25"	0	""	""	1	1	49844546	""
"751896"	"751896"	"3-(E)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]me..."	"Fc1ccccc1c2nc(\C=C/3\C(=O)Nc4ccccc34)c5ccccn25"	0	""	""	1	1	53248929	""
"751898"	"751898"	"2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-..."	"COc1cc(ccc1F)c2cncn2c3ccc(cc3)c4nc5ccc(F)cc5s4"	0	""	""	1	1	60147633	""
"751899"	"751899"	"5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imida..."	"COc1cc(OC)c2sc(nc2c1)c3ccc(cc3)n4cncc4c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	60147634	""
"751902"	"751902"	"2-4-[5-(3,4-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-..."	"COc1cc(OC)c2sc(nc2c1)c3ccc(cc3)n4cncc4c5ccc(OC)c(OC)c5"	0	""	""	1	1	60147635	""
"751955"	"751955"	"2,2',4,6,6'-Pentamethoxychalcone"	"COc1cc(OC)c(\C=C\C(=O)c2c(OC)cccc2OC)c(OC)c1"	0	""	""	2	2	16655018	""
"751956"	"751956"	"(E)-1-(2,4-Dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	"COc1ccc(C(=O)\C=C\c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	1	1	16753966	""
"751957"	"751957"	"(E)-1-(2-Amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one"	"COc1cc(N)c(C(=O)\C=C\c2c(OC)cc(OC)cc2OC)c(OC)c1"	0	""	""	2	2	60147636	""
"751958"	"751958"	"(2E)-2-(all-trans retinylidene)-N-{[(2E)-2-(all-trans re..."	"O.[Na+].C\C(=C/C=N/NC(=S)NC(=S)N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	2	1	NA	""
"751959"	"751959"	"(2E)-2-(all-trans retinylidene)-N-{[(2E)-2-(all-trans re..."	"O.[Na+].C\C(=C/C=N/NC(=S)NC(=S)N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C"	0	NA	NA	2	2	NA	""
"752178"	"752178"	"N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-a..."	"[O-][N+](=O)OCC(=O)Nc1ccc(cc1)C(=O)\C=C\c2ccc(Cl)cc2"	0	""	""	1	1	57392326	""
"752193"	"752193"	"3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2..."	"O=C(\C=C\C1=Cc2ccccc2NC1=O)\C=C\C3=Cc4ccccc4NC3=O"	0	""	""	3	2	60147682	""
"752200"	"752200"	"4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile"	"COc1cc(cc(OC)c1OC)c2nc(Nc3nc4ccccc4[nH]3)nc(N)c2C#N"	0	""	""	2	2	60147685	""
"752203"	"752203"	"GTPL8141"	"COc1ccccc1n2c(cn3c4C(=O)NC(=O)N(C)c4nc23)c5cc(O)ccc5C"	0	""	""	1	1	44478401	""
"752245"	"752245"	"Derivative of Dibenzothiazepine"	"COc1ccc(NC2=C(C#N)C(=O)N(N2)C3=Nc4ccccc4Sc5ccccc35)cc1"	0	""	""	1	1	60147696	""
"752270"	"752270"	"2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8..."	"O.Cc1ccc(cc1)S(=O)(=O)O.Clc2ccccc2CNCCCN3C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6Cl)C(=O)c7ccc(C3=O)c4c57"	0	""	""	2	1	60147715	""
"752271"	"752271"	"2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8..."	"O.Cc1ccc(cc1)S(=O)(=O)O.Fc2ccccc2CNCCCN3C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6F)C(=O)c7ccc(C3=O)c4c57"	0	""	""	2	1	60147717	""
"752272"	"752272"	"2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthro..."	"O.Cc1ccc(cc1)S(=O)(=O)O.O=C2N(CCCNCc3ccccc3)C(=O)c4ccc5C(=O)N(CCCNCc6ccccc6)C(=O)c7ccc2c4c57"	0	""	""	2	2	60147719	""
"752273"	"752273"	"2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[..."	"O.COc1ccc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5ccc(OC)c(OC)c5OC)C(=O)c6ccc(C2=O)c3c46)c(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	60147721	""
"752274"	"752274"	"2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,..."	"O.COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	1	60147723	""
"752275"	"752275"	"2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8..."	"O.COc1cccc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5cccc(OC)c5)C(=O)c6ccc(C2=O)c3c46)c1.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	1	1	60147724	""
"752278"	"752278"	"2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[l..."	"O.COc1ccc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5ccc(OC)c(OC)c5OC)C(=O)c6ccc(C2=O)c3c46)c(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	60147730	""
"752307"	"752307"	"6-Amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile"	"Cc1cc2nc([nH]c2cc1C)c3c(N)ncc(C#N)c3c4ccc(Cl)cc4"	0	""	""	1	1	54576527	""
"752308"	"752308"	"6-Amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile"	"COc1ccc(cc1)c2c(cnc(N)c2c3nc4cc(C)c(C)cc4[nH]3)C#N"	0	""	""	1	1	54576528	""
"752329"	"752329"	"(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine"	"N(\N=C/c1ccccn1)c2ncnc3[nH]cnc23"	0	""	""	2	2	60147744	""
"752330"	"752330"	"6-(2-(propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-ri..."	"CC(=NNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C"	0	""	""	2	2	60147745	""
"752331"	"752331"	"(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-..."	"OCC1OC(C(O)C1O)n2cnc3c(N\N=C/c4ccccn4)ncnc23"	0	""	""	2	2	60147746	""
"752338"	"752338"	"Cresyl violet acetate"	"Nc1ccc2N=C3C(=CC(=N)c4ccccc34)Oc2c1"	0	""	""	2	2	135445693	"10510540"
"752339"	"752339"	"Phenol, 4-[(6-chloro-2-quinoxalinyl)oxy]-"	"Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1"	0	""	""	1	1	10989408	"76578795"
"752343"	"752343"	"N-[3-[6-Amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide"	"CS(=O)(=O)Nc1cccc(c1)c2cc(c3ccccc3Cl)c(C#N)c(N)n2"	0	""	""	2	2	60147748	""
"752344"	"752344"	"N-[3-[6-Amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide"	"COc1ccc(cc1)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	60147749	""
"752345"	"752345"	"N-[3-[6-Amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide"	"CN(C)c1ccc(cc1)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	60147750	""
"752346"	"752346"	"N-[3-[6-Amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide"	"COc1cccc(c1O)c2cc(nc(N)c2C#N)c3cccc(NS(=O)(=O)C)c3"	0	""	""	2	2	136040123	""
"752361"	"752361"	"N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide"	"CC1SC(N(NC(=O)c2[nH]c3ccc(F)cc3c2c4ccccc4)C1=O)c5c(Cl)cccc5Cl"	0	""	""	1	1	60147755	""
"752362"	"752362"	"2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroli..."	"O=C1N(CCNCc2ccccc2)C(=O)c3ccc4C(=O)N(CCNCc5ccccc5)C(=O)c6ccc1c3c46"	0	""	""	1	1	60147756	""
"752365"	"752365"	"2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]i..."	"COc1cc(CNCCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)ccc1O"	0	""	""	1	1	60147760	""
"752384"	"752384"	"N-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine"	"COc1ccc(OC)c(\C=C\c2oc(Nc3ccc(Cl)cc3)nn2)c1"	0	""	""	1	1	60147767	""
"752385"	"752385"	"2-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione"	"COc1ccc(OC)c(\C=C\c2nc(S)n(n2)c3ccc(Cl)cc3)c1"	0	""	""	1	1	60147768	""
"752389"	"752389"	"Shogaol"	"CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1"	0	""	""	1	1	5281794	"555668"
"752397"	"752397"	"[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro..."	"COc1ccc(cc1)C2CC(=NN2C(=O)c3cc(OC)c(OC)c(OC)c3)c4ccc(OC)c(OC)c4"	0	""	""	2	2	60147773	""
"752398"	"752398"	"4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3..."	"COc1ccc(cc1OC)C2=NN(C(C2)c3ccc(cc3)C#N)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	60147774	""
"752432"	"752432"	"4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1..."	"COc1cc2nc(sc2c(OC)c1OC)c3ccc(cc3)n4cncc4c5ccc(N)cc5"	0	""	""	1	1	60147789	""
"752442"	"752442"	"2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl..."	"COc1ccc(cc1N)c2cncn2c3ccc(cc3)c4nc5cc(OC)c(OC)c(OC)c5s4"	0	""	""	1	1	60147797	""
"752461"	"752461"	"3-(3-Fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine"	"Fc1cccc(c1)c2n[nH]c3nc(Nc4cccnc4)sc23"	0	""	""	1	1	60147811	""
"752463"	"752463"	"(4Z)-3a,4-dihydro-4-((E)-1-hydroxy-3-phenylallylidene)be..."	"O\C(=C/1\[C@H]2CC(=O)O[C@H]2C=CC1=O)\C=C\c3ccccc3"	0	""	""	1	1	10379026	"39012050"
"752464"	"752464"	"methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-..."	"COC(=O)C[C@@H]1CC=CC(=O)/C/1=C(\O)/C=C/c2ccccc2"	0	""	""	2	2	60147813	""
"752476"	"752476"	"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one"	"Clc1ccc(\C=C\2/N=C(N(CCc3cccs3)C2=O)c4ccccc4)cc1"	0	""	""	1	1	60147820	""
"752480"	"752480"	"2-N-(4-Chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine"	"Clc1ccc(Nc2nc(Nc3ccccc3)nc(Nc4ccc(cc4)c5cc(on5)c6ccc(Cl)cc6)n2)cc1"	0	""	""	1	1	60147824	""
"752503"	"752503"	"2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[l..."	"COc1cc(CNCCN2C(=O)c3ccc4C(=O)N(CCNCc5cc(OC)c(OC)c(OC)c5)C(=O)c6ccc(C2=O)c3c46)cc(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	1	60147825	""
"752504"	"752504"	"2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[..."	"COc1cc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCc5cc(OC)c(OC)c(OC)c5)C(=O)c6ccc(C2=O)c3c46)cc(OC)c1OC.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	2	2	60147827	""
"752505"	"752505"	"2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][..."	"COc1ccccc1CNCCCCCCCCCCCCN2C(=O)c3ccc4C(=O)N(CCCCCCCCCCCCNCc5ccccc5OC)C(=O)c6ccc(C2=O)c3c46.Cc7ccc(cc7)S(=O)(=O)O"	0	""	""	1	1	60147829	""
"752506"	"752506"	"5-nitro-N-((pyridin-3-yl)methyl)furan-2-carboxamide"	"[O-][N+](=O)c1oc(cc1)C(=O)NCc2cccnc2"	0	""	""	2	2	693996	""
"752631"	"752631"	"1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-naphthol"	"Oc1ccc2ccccc2c1C3NN=C(S3)c4ccccc4"	0	"HDAC"	""	2	1	3136570	""
"752641"	"752641"	"2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chlo..."	"COCCOC1=C(Cl)C(=O)c2ccccc2C1=O"	0	""	""	1	1	25113707	""
"752642"	"752642"	"2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(..."	"O=C1C(=C(OCCOc2ccccc2)C(=O)c3ccccc13)OCCOc4ccccc4"	0	""	""	1	1	60147839	""
"752702"	"752702"	"STL553882"	"COc1cc(\C=C\2/C(=O)Nc3ccccc23)cc(OC)c1O"	0	""	""	1	1	2437106	""
"752703"	"752703"	"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one"	"COc1cc(\C=C\2/C(=O)N(c3ccccc23)c4c(Cl)cccc4Cl)cc(OC)c1O"	0	""	""	2	2	60147866	""
"752707"	"752707"	"9-[(E)-2,3-Dibromo-4-chlorobut-2-enyl]-6-methoxypurine"	"COc1ncnc2c1ncn2C\C(=C(/Br)\CCl)\Br"	0	""	""	1	1	60147870	""
"752761"	"752761"	"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide"	"O=C(CSc1ncc(c2ccccc2)n1c3ccccc3)Nc4ccc(cc4)c5nc6ccccc6s5"	0	""	""	1	1	60147874	""
"752779"	"752779"	"LLW15"	"CC1CCCCN1CCCn2c(nc3cc(ccc23)C(CC(=O)N)NC(=O)Nc4ccccc4C)c5cccc(Oc6ccc(cc6)C(C)(C)C)c5"	0	""	""	2	2	45256728	""
"752782"	"752782"	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	"PK:YK,PDGFR,FGFR,KIT,VEGFR"	"FDA approved"	1	1	10113978	"444731526"
"752811"	"752811"	"3,14,19-tripropionylandrographolide"	"CCC(=O)OCC1(C)C(CCC2(C)C(C\C=C\3/C(COC3=O)OC(=O)CC)C(=C)CCC12)OC(=O)CC"	0	""	""	1	1	60147888	""
"752837"	"752837"	"4-[2-(1H-Indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite"	"COS(=O)=O.CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	""	""	2	1	60147889	""
"752840"	"752840"	"Veliparib"	"C[C@@]1(CCCN1)c2nc3c(cccc3[nH]2)C(=O)N"	0	"PARP|PARP1|PARP2"	"Clinical trial"	3	1	NA	"912444009"
"752878"	"752878"	"3-(3-chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(py..."	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)C(=O)NCCN4CCOCC4"	0	""	""	1	1	53483547	""
"752879"	"752879"	"3-(3-chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-y..."	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)C(=O)NCCN4CCN(C)CC4"	0	""	""	1	1	51358119	""
"752885"	"752885"	"3-(3-chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-..."	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)C(=O)NCCN(C)C"	0	""	""	1	1	60147896	""
"752892"	"752892"	"N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]..."	"FC(F)(F)c1cc(ccc1N2CCOCC2)C(=O)Nc3ccc(cc3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	""	""	2	2	53361478	""
"752893"	"752893"	"N-[3-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]..."	"FC(F)(F)c1cc(ccc1N2CCOCC2)C(=O)Nc3cccc(c3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	""	""	2	2	46890251	""
"752894"	"752894"	"1-(4-(4-(benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl..."	"CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)n4ccc5c(NC(=O)c6ccccc6)nccc45)cc2C(F)(F)F)CC1"	0	""	""	2	2	53361439	""
"753018"	"753018"	"2-[(E)-[[1-(4-Chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol"	"Cc1nn(c2ccc(Cl)cc2)c3ncnc(N\N=C\c4ccccc4O)c13"	0	""	""	2	2	136040127	""
"753139"	"753139"	"benzimidazol -thiosemicarbazone derivative"	"C\C(=N/NC(=S)N)\c1nc2ccc(Cl)cc2[nH]1"	0	""	""	1	1	136040128	""
"753140"	"753140"	"benzimidazole thiosemicarbazone derivative"	"C\C(=N\NC(=S)Nc1ccccc1)\c2nc3ccc(Cl)cc3[nH]2"	0	""	""	2	2	136040129	""
"753151"	"753151"	"4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydrop..."	"Clc1ccc(cc1)C2NC(=S)NC3=C2C(=O)N(c4ccccc4)c5ccccc35"	0	""	""	1	1	60147922	""
"753164"	"753164"	"7-O,8-O-Isopropylidene Iriomoteolide 3a"	"C\C=C\C\C=C\[C@H](C)C[C@H](O)[C@@H]1C[C@@H]2O[C@H]2\C=C\[C@@H]3OC(C)(C)O[C@H]3\C=C\C[C@H](C)CC(=O)O1"	0	""	""	1	1	24808220	""
"753184"	"753184"	"N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-p..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)cc4"	0	""	""	1	1	56935458	""
"753185"	"753185"	"3,4-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	""	""	1	1	56649611	""
"753186"	"753186"	"3,4-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	""	""	1	1	56649574	""
"753187"	"753187"	"4-chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	""	""	2	2	56649575	""
"753188"	"753188"	"4-chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	""	""	2	2	56649573	""
"753189"	"753189"	"3,5-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid..."	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	""	""	1	1	56935209	""
"753190"	"753190"	"3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid..."	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	""	""	2	2	56935331	""
"753193"	"753193"	"N-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydrox..."	"CC(=O)N1CCN(CCNC(=O)n2cc(c3ccncc3)c(n2)c4cc(O)cc(Cl)c4)CC1"	0	""	""	1	1	53483672	""
"753203"	"753203"	"N-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)py..."	"COc1ccc(cc1)C(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	""	""	1	1	60147936	""
"753211"	"753211"	"11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]t..."	"Clc1cc2nnc3c4ncccc4c(C#N)n3c2cc1Cl"	0	""	""	1	1	60147944	""
"753217"	"753217"	"3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one"	"COc1ccc2c3C(=O)Nc4cc(O)ccc4n3cc2c1"	0	""	""	2	2	60147950	""
"753218"	"753218"	"3-hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]..."	"COc1ccc2c3C(=N)Nc4cc(O)ccc4n3cc2c1"	0	""	""	2	2	60147951	""
"753219"	"753219"	"3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	"COc1ccc2cn3c4ccc(O)cc4NC(=O)c3c2c1"	0	""	""	2	2	60147952	""
"753220"	"753220"	"10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one"	"Oc1ccc2c(NC(=O)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	60147953	""
"753221"	"753221"	"3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]q..."	"Oc1ccc2c(NC(=N)c3c4cccc(F)c4cn23)c1"	0	""	""	2	2	60147954	""
"753222"	"753222"	"3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1..."	"Cc1cc2cn3c(C(=N)Nc4cc(O)ccc34)c2cc1C"	0	""	""	2	2	60147955	""
"753223"	"753223"	"3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one"	"Cc1cc2cn3c(C(=O)Nc4cc(O)ccc34)c2cc1C"	0	""	""	2	2	60147956	""
"753224"	"753224"	"3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)..."	"COc1cc2cn3c(C(=O)Nc4cc(O)ccc34)c2cc1OC"	0	""	""	2	2	60147957	""
"753366"	"753366"	"3-[2-(5-chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5cc(Cl)ccc15"	0	""	""	1	1	60147969	""
"753369"	"753369"	"3-[3-(5-methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-p..."	"COc1ccc2[nH]cc(c3nc(cs3)c4c[nH]c5ncccc45)c2c1"	0	""	""	1	1	136040141	""
"753376"	"753376"	"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole"	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5ccccc15"	0	""	""	1	1	60147979	""
"753377"	"753377"	"3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl..."	"Cn1cc(c2nc(cs2)c3cn(C)c4ncccc34)c5ccccc15"	0	""	""	1	1	60147980	""
"753378"	"753378"	"3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrro..."	"Cn1cc(c2csc(n2)c3c[nH]c4ccccc34)c5cccnc15"	0	""	""	2	2	136040144	""
"753389"	"753389"	"3-[2-(5-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro..."	"Cc1ccc2[nH]cc(c3nc(cs3)c4c[nH]c5ncccc45)c2c1"	0	""	""	1	1	136040147	""
"753392"	"753392"	"3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5cc(F)ccc15"	0	""	""	2	2	60147995	""
"753393"	"753393"	"3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]..."	"Cn1cc(c2nc(cs2)c3cn(C)c4ncccc34)c5cc(F)ccc15"	0	""	""	1	1	60147996	""
"753394"	"753394"	"3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl..."	"Cn1cc(c2csc(n2)c3c[nH]c4ccc(F)cc34)c5cccnc15"	0	""	""	2	2	136040150	""
"753427"	"753427"	"2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-me..."	"COc1ccc(cc1O)\C(=C\2/O[C@@H]([C@H]3COC(C)(C)O3)[C@H]4OC(C)(C)O[C@@H]24)\c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	54576090	""
"753435"	"753435"	"5-Benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole"	"COc1ccc(OC)c(\C=C\c2nc(SCc3ccccc3)n(n2)c4ccc(Cl)cc4)c1"	0	""	""	1	1	60148003	""
"753456"	"753456"	"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,..."	"COc1cc(OC)cc(c1)c2cncn2c3ccc(cc3)c4nc5cc(OC)c(OC)c(OC)c5s4"	0	""	""	1	1	60148006	""
"753458"	"753458"	"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-..."	"COc1cc(OC)cc(c1)c2cncn2c3ccc(cc3)c4nc5cc(OC)cc(OC)c5s4"	0	""	""	1	1	60148008	""
"753491"	"753491"	"3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy..."	"CN1CCN(CC1)C(=O)COc2ccc(\C=C\3/CC4C5CC=C6CC(Cl)CCC6(C)C5CCC4(C)C3=O)cc2"	0	""	""	1	1	60148020	""
"753573"	"753573"	"14-methoxy-epothilone D"	"CO[C@H]1\C=C(\C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1\C(=C\c2csc(C)n2)\C"	0	""	""	2	1	44225568	""
"753574"	"753574"	"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccccc4s3"	0	""	""	2	2	60143342	""
"753575"	"753575"	"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccccc4s3"	0	""	""	1	1	60148068	""
"753576"	"753576"	"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(F)cc4s3"	0	""	""	1	1	60148069	""
"753577"	"753577"	"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(F)cc4s3"	0	""	""	1	1	60148070	""
"753578"	"753578"	"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-..."	"COc1ccc2nc(NC(=O)COc3cc(\C=C/c4cc(OC)c(OC)c(OC)c4)ccc3OC)sc2c1"	0	""	""	1	1	60148071	""
"753579"	"753579"	"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-..."	"COc1ccc2nc(NC(=O)COc3cc(\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4)ccc3OC)sc2c1"	0	""	""	1	1	60148072	""
"753581"	"753581"	"N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-meth..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3"	0	""	""	1	1	60148074	""
"753582"	"753582"	"N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-meth..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3"	0	""	""	1	1	60148075	""
"753584"	"753584"	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-metho..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F"	0	""	""	1	1	60148077	""
"753585"	"753585"	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-2-metho..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F"	0	""	""	1	1	60148078	""
"753586"	"753586"	"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-ac..."	"COc1ccc(cc1OCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)C4CC(=NN4C(=O)C)c5cc(OC)c(OC)c(OC)c5"	0	""	""	1	1	60148079	""
"753598"	"753598"	"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate"	"FC(F)(F)c1cc(Nc2sccc2C(=O)Oc3cccnc3)ccn1"	0	""	""	1	1	60148085	""
"753600"	"753600"	"6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"COc1cc(cc(OC)c1OC)c2cc(nc(N3CCC(O)CC3)c2C#N)c4ccc(cc4)N(C)C"	0	""	""	2	2	60148087	""
"753601"	"753601"	"4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile"	"CCN(CC)c1ccc(cc1)c2cc(nc(N3CCC(O)CC3)c2C#N)c4cc(OC)c(OC)c(OC)c4"	0	""	""	2	2	60148088	""
"753603"	"753603"	"N-(6-Methoxybenzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)-4-..."	"COc1ccc(cc1)N2N=C(C(=O)NCC(=O)Nc3nc4cc(OC)ccc4s3)c5ccccc5C2=O"	0	""	""	2	2	60148090	""
"753616"	"753616"	"(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyp..."	"COc1ccccc1\C=C\C(=O)c2c(O)cc3occc3c2OC"	0	""	""	1	1	12211442	""
"753661"	"753661"	"methyl ester prodigiosene"	"COC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	136040158	""
"753662"	"753662"	"Propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)OC(C)C)c3ccc[nH]3"	0	""	""	2	2	136040160	""
"753663"	"753663"	"Butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"CCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	136040162	""
"753664"	"753664"	"Octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"CCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	""	""	2	2	136040164	""
"753665"	"753665"	"Benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)OCc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	136040166	""
"753666"	"753666"	"Phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride"	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)Oc3ccccc3)c4ccc[nH]4"	0	""	""	2	2	136040168	""
"753667"	"753667"	"meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(fura..."	"C(NC1=N[C@@H]2N=C3N=CN[C@]13[C@H]4N=C(NCc5occc5)[C@@]26NC=NC6=N4)c7occc7"	0	""	""	1	1	60148126	""
"753686"	"753686"	"Olaparib"	"Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5"	0	"PARP|PARP1"	"FDA approved"	1	1	NA	"763113220"
"753725"	"753725"	"6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol"	"Oc1c(sc2nnc(c3ccccc3)c(c4ccccc4)c12)c5oc(nn5)c6ccccc6Cl"	0	""	""	1	1	136040172	""
"753734"	"753734"	"7alpha-acetoxyroylenane"	"CC(C)C1=C(O)C(=O)C2=C(C(CC3C(C)(C)CCC[C@]23C)OC(=O)C)C1=O"	0	""	""	2	2	362048	"6812880"
"753769"	"753769"	"2-[(1-Anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide"	"Clc1ccc(cc1)c2csc(NC(=O)CSc3nc4CSc5ccccc5c4n3Nc6ccccc6)n2"	0	""	""	1	1	60148157	""
"753772"	"753772"	"2-(1-Anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide"	"COc1ccc(cc1)c2csc(NC(=O)CSc3nc(C)c(c4ccccc4)n3Nc5ccccc5)n2"	0	""	""	1	1	60148160	""
"753790"	"753790"	"6-Imino-1,2,3,4,8,9,10,11-octahydropyrido[1,2-a]pyrido[1..."	"N=C1c2nc3CCCCn3c2C(=O)c4nc5CCCCn5c14"	0	""	""	2	2	46861729	""
"753802"	"753802"	"3-amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Cl)c4"	0	""	""	2	2	1420685	""
"753907"	"753907"	"STK701514"	"O=C1NC(=S)S/C/1=C\c2cn(nc2c3ccccc3)c4ccccc4"	0	""	""	1	1	1526878	""
"753938"	"753938"	"2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylami..."	"CN(C)CCCNc1cc2C(=O)N(CCCN(C)C)C(=O)c3c(NCCCN(C)C)cc4C(=O)N(CCCN(C)C)C(=O)c1c4c23"	0	""	""	1	1	135875630	""
"753939"	"753939"	"2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-m..."	"CN1CCN(CCCCCNc2cc3C(=O)N(CCCCCN4CCN(C)CC4)C(=O)c5c(NCCCCCN6CCN(C)CC6)cc7C(=O)N(CCCCCN8CCN(C)CC8)C(=O)c2c7c35)CC1"	0	""	""	1	1	136040182	""
"753940"	"753940"	"14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-"	"O=C1N(CCCN2CCCC2)C(=O)c3c(NCCCN4CCCC4)cc5C(=O)N(CCCN6CCCC6)C(=O)c7c(NCCCN8CCCC8)cc1c3c57"	0	""	""	1	1	135875632	""
"753941"	"753941"	"3-(Dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide"	"CN(C)CCC(=O)Nc1ccc(cc1)n2cc(nn2)c3cccc(NC(=S)Nc4cccc(c4)c5cn(nn5)c6ccc(NC(=O)CCN(C)C)cc6)c3"	0	""	""	1	1	60148205	""
"753975"	"753975"	"Prepyridomacrolidine A"	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(OC2CC(=O)CCC(C)OC(=O)CC2O)C1=O)c3ccc(O)cc3"	0	""	""	2	2	60148209	""
"753978"	"753978"	"Tenellin camphanic acid ester"	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(O)C1=O)c2ccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)cc2"	0	""	""	1	1	60148212	""
"754032"	"754032"	"(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphe..."	"COc1ccc2cc(ccc2c1)C#Cc3ccc(N4C(=Nc5ccccc5C4=O)\C=C\c6cc(OC)c(OC)c(OC)c6)c(C)c3"	0	""	""	1	1	60148232	""
"754073"	"754073"	"7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,..."	"COc1ccccc1Cn2cc3c(CCc4cnoc34)c2c5ccccc5"	0	""	""	1	1	60148267	""
"754076"	"754076"	"7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol..."	"COc1ccc(OC)c(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)c1"	0	""	""	1	1	60148270	""
"754077"	"754077"	"7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1OC"	0	""	""	1	1	60148271	""
"754081"	"754081"	"7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H..."	"COc1ccc(Cn2cc3c(CC(C)(C)c4cnoc34)c2c5ccccc5)cc1"	0	""	""	1	1	60148275	""
"754083"	"754083"	"7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isox..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccccc5)cc1N"	0	""	""	2	2	60148277	""
"754084"	"754084"	"4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccc(O)cc5)cc1"	0	""	""	2	2	60148278	""
"754085"	"754085"	"4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-i..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5ccc(OC)cc5)cc1"	0	""	""	2	1	60148279	""
"754087"	"754087"	"7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihyd..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	""	""	2	2	60148281	""
"754088"	"754088"	"7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1cc(cc(OC)c1OC)c2c3CCc4cnoc4c3cn2Cc5ccc(OC)c(c5)[N+](=O)[O-]"	0	""	""	2	2	60148282	""
"754089"	"754089"	"7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1ccc(Cn2cc3c(CCc4cnoc34)c2c5cc(OC)c(OC)c(OC)c5)cc1N"	0	""	""	2	2	60148283	""
"754090"	"754090"	"7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin..."	"COc1cccc(Cn2cc3CCc4cnoc4c3c2)c1"	0	""	""	2	2	60148284	""
"754091"	"754091"	"7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin..."	"COc1ccccc1Cn2cc3CCc4cnoc4c3c2"	0	""	""	2	2	60148285	""
"754092"	"754092"	"7-(2,5-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i..."	"COc1ccc(OC)c(Cn2cc3CCc4cnoc4c3c2)c1"	0	""	""	2	2	60148286	""
"754093"	"754093"	"7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i..."	"COc1ccc(Cn2cc3CCc4cnoc4c3c2)cc1OC"	0	""	""	2	1	60148287	""
"754094"	"754094"	"7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-..."	"COc1cc(Cn2cc3CCc4cnoc4c3c2)cc(OC)c1OC"	0	""	""	2	2	60148288	""
"754102"	"754102"	"8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]i..."	"COc1cc(Cn2ccc3CCc4cnoc4c23)cc(OC)c1"	0	""	""	1	1	60148296	""
"754105"	"754105"	"ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-c..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4ccccc4"	0	""	""	1	1	60148299	""
"754109"	"754109"	"ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4cccc(OC)c4"	0	""	""	1	1	60148303	""
"754110"	"754110"	"Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxaz..."	"CCOC(=O)c1c(Cl)c2CCc3cnoc3c2n1Cc4cccc(OC)c4"	0	""	""	1	1	60148304	""
"754111"	"754111"	"ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4..."	"CCOC(=O)c1cc2CCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	""	""	2	2	60148305	""
"754116"	"754116"	"7-phenyl-8-(3,4,5-trimethoxybenzyl)- 5,8-dihydro-4H-isox..."	"COc1cc(Cn2c(cc3CCc4cnoc4c23)c5ccccc5)cc(OC)c1OC"	0	""	""	1	1	60148310	""
"754117"	"754117"	"7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4H-isoxazo..."	"COc1cc(Cn2c(cc3CCc4cnoc4c23)c5ccccc5)cc(OC)c1"	0	""	""	2	2	60148311	""
"754118"	"754118"	"6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4..."	"COc1cc(Cn2c(c(Cl)c3CCc4cnoc4c23)c5ccccc5)cc(OC)c1"	0	""	""	1	1	60148312	""
"754143"	"754143"	"Depsipeptide"	"C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C"	0	"HDAC"	"FDA approved"	1	1	5352062	"128517077"
"754153"	"754153"	"2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phena..."	"O=C1N(CCCNCC#C)C(=O)c2ccc3C(=O)N(CCCNCC#C)C(=O)c4ccc1c2c34"	0	""	""	2	1	60148335	""
"754154"	"754154"	"2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroli..."	"C=CCNCCN1C(=O)c2ccc3C(=O)N(CCNCC=C)C(=O)c4ccc(C1=O)c2c34"	0	""	""	2	1	60148337	""
"754172"	"754172"	"7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one"	"CN1CCN(CCCN2C(=O)c3sc4ncccc4c3n5nnc(c6ccccc6)c25)CC1"	0	""	""	1	1	60148350	""
"754173"	"754173"	"16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one"	"CN1CCN(CCCN2c3c(sc4ncccc34)C(=O)n5nnc(c6ccccc6)c25)CC1"	0	""	""	2	2	60148351	""
"754175"	"754175"	"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide"	"O=C(CCCN1c2c(sc3ncccc23)C(=O)n4nnc(c5ccccc5)c14)NCCc6c[nH]cn6"	0	""	""	1	1	60148353	""
"754197"	"754197"	"3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-..."	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3ccc4OCOc4c3"	0	""	""	2	2	54589644	""
"754198"	"754198"	"1-(3-(benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-tri..."	"COc1cc(cc(OC)c1OC)C2CC(=NN2C(=O)C)c3ccc4OCOc4c3"	0	""	""	2	2	16462904	""
"754230"	"754230"	"pralatrexate"	"Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2n1"	0	"Df|CTNNB1|DHFR"	"FDA approved"	2	2	148121	"146464951"
"754237"	"754237"	"6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-..."	"CCN(CC)CCOc1nc2ccc(OC)cc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	2	2	54673453	""
"754238"	"754238"	"6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[..."	"CCN(CC)CCOc1nc2cc(OC)c(OC)cc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	1	1	54673460	""
"754239"	"754239"	"5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4cc(OC)c(OC)cc34"	0	""	""	1	1	54673459	""
"754240"	"754240"	"2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN4CCCCC4)nc5ccc(OC)cc35"	0	""	""	2	2	54673454	""
"754241"	"754241"	"6-(2-(dimethylamino)ethoxy)-9-methoxy-11H-indeno[1,2-c]q..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4ccccc34"	0	""	""	1	1	54672976	""
"754242"	"754242"	"6-(2-(dimethylamino)ethoxy)-9-methoxy-11H-indeno[1,2-c]q..."	"CCN(CC)CCOc1nc2ccccc2c3C(=O)c4cc(OC)ccc4c13"	0	""	""	2	2	54672977	""
"754244"	"754244"	"5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1..."	"COc1ccc2C3=C(C(=O)c2c1)c4cc(OC)c(OC)cc4N(CCCN(C)C)C3=O"	0	""	""	1	1	54673151	""
"754245"	"754245"	"5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c..."	"COc1ccc2N(CCN(C)C)C(=O)C3=C(C(=O)c4ccc(OC)cc34)c2c1"	0	""	""	2	2	54673147	""
"754277"	"754277"	"tnf-related apoptosis-inducing ligand"	""	0	NA	NA	2	2	NA	""
"754310"	"754310"	"9-deoxy-sibiromycin"	"CNC1C(C)OC(Oc2cc3C(=O)N4C=C(C[C@H]4C=Nc3cc2C)\C=C\C)C(O)C1(C)O"	0	""	""	2	1	60148374	""
"754328"	"754328"	""	"CCN(CCCNC(=O)CC1=CC(=O)Oc2cc(ccc12)N(C)C)CCNc3ccnc4cc(Cl)ccc34"	0	NA	NA	1	1	NA	""
"754329"	"754329"	""	"C[C@@H]1CCC2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCNC(=O)CC3=CC(=O)Oc4cc(ccc34)N(C)C)O[C@@H]5O[C@]6(C)CC[C@@H]1C25OO6"	0	NA	NA	2	2	NA	""
"754344"	"754344"	"Rigosertib"	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1"	0	"RAS|Tu-stab|PK:STK,PLK1"	"Clinical trial"	2	2	NA	"592542604"
"754345"	"754345"	"JNJ-28312141"	"CN(C)CC(=O)N1CCC(CC1)c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(c2)C4=CCCCC4"	0	"PK:YK,CSF1R"	"Clinical trial"	2	2	NA	"1149939558"
"754346"	"754346"	"AMG-458"	"COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(C)(C)O)N(C4=O)c5ccccc5)nc3)ccnc2c1"	0	"PK:YK,MET"	"Clinical trial"	2	2	NA	"913376837"
"754348"	"754348"	"PF-03084014 diastereomer 1"	"CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	1	1	NA	"865773155"
"754349"	"754349"	"Amuvatinib"	"S=C(NCc1ccc2OCOc2c1)N3CCN(CC3)c4ncnc5c4oc6ccccc56"	0	"RAD51|PK:YK,PDGFR,KIT,FLT3,Multikinase"	"Clinical trial"	2	2	NA	"850879093"
"754351"	"754351"	"XL-147"	"Cc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc5nsnc5c4"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"956958535"
"754352"	"754352"	"Adavosertib"	"CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2"	0	"PK:STK,YK,WEE1"	"Clinical trial"	2	2	NA	"955365807"
"754353"	"754353"	"Buparlisib"	"Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"944396070"
"754354"	"754354"	"GSK-461364"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	NA	"929095181"
"754356"	"754356"	"PF-562271"	"CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C"	0	"PK:YK,FAK"	"Clinical trial"	2	2	NA	"717907750"
"754357"	"754357"	"RAF-265"	"Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5ncc([nH]5)C(F)(F)F)ccc13"	0	"GTPase|PK:BRAF"	"Clinical trial"	2	2	NA	"927880908"
"754359"	"754359"	"AEG-40730"	"CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)C(C)NC)C(=O)N1CCC[C@@H]1CN(CCc2ccccc2)C(=O)C(F)(F)F)C(=O)N3CCC[C@H]3CN(CCc4ccccc4)C(=O)C(F)(F)F"	0	"Apo|IAP"	"Clinical trial"	2	2	NA	"934963583"
"754360"	"754360"	"MI-219"	"CC(C)(C)C[C@H]1NC([C@H](c2cccc(Cl)c2)[C@@]13C(=O)Nc4cc(Cl)c(F)cc34)C(=O)NCC[C@H](O)CO"	0	"Apo|MDM2"	"Clinical trial"	2	2	NA	"1201143874"
"754361"	"754361"	"Astex FGF inhibitor"	"Fc1ccc(cc1)c2ccn3c(cnc3c2)c4cccc(NC(=O)NCC(F)(F)F)c4"	0	"PK:YK,FGFR"	"Clinical trial"	2	2	NA	"1036991215"
"754362"	"754362"	"SB-590885"	"CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4"	0	"GTPase|PK:YK,BRAF"	"Clinical trial"	4	4	NA	"405554554"
"754365"	"754365"	"XR-11576"	"COc1cccc2c1ccc3nc4cccc(C(=O)N[C@H](C)CN(C)C)c4nc23"	0	"TOP2|TOP1"	"Clinical trial"	2	2	NA	"346689778"
"754366"	"754366"	"XR-5944"	"Cc1cccc2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12"	0	"TOP2|TOP1"	"Clinical trial"	2	2	NA	"343247325"
"754385"	"754385"	"1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane"	"Nc1ccc(cc1)C(=C2CCC34=C5[C-]6C7=C3[Fe+2]456789%10%11[C-]%12C8=C9C2%10=C%11%12)c%13ccc(N)cc%13"	0	NA	NA	2	2	NA	""
"754483"	"754483"	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(c5ccc(Br)cc5)n24)C(=O)N"	0	NA	NA	1	1	NA	""
"754516"	"754516"	""	"Cc1cccc(Cn2cc(CO)c3cnccc23)c1"	0	NA	NA	1	1	NA	""
"754567"	"754567"	"3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4F"	0	NA	NA	2	2	NA	""
"754571"	"754571"	"3-amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]q..."	"Cc1cc(C)c(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c(C)c1"	0	NA	NA	2	2	NA	""
"754582"	"754582"	"3-[(2E,4E)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dih..."	"CC[C@@H](C)\C=C(/C)\C=C\C(=O)C1=C(O)C(=CN(O)C1=O)c2ccc(O)cc2"	0	NA	NA	2	2	NA	"53823157"
"754583"	"754583"	"2,3-dimethyl-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one"	"Cc1cc2NC(=O)c3c4ncccc4cn3c2cc1C"	0	NA	NA	1	1	NA	""
"754587"	"754587"	"1,4-dimethoxy-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one"	"COc1ccc(OC)c2c1NC(=O)c3c4ncccc4cn23"	0	NA	NA	1	1	NA	""
"754595"	"754595"	"3-methoxy 4-azaisoindole[2,1-a]quinoxalin-6(5H)-one"	"COc1ccc2c(NC(=O)c3c4cccnc4cn23)c1"	0	NA	NA	2	2	NA	""
"754596"	"754596"	"6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline"	"COc1ccc2c(NC(=N)c3c4cccnc4cn23)c1"	0	NA	NA	2	2	NA	""
"754664"	"754664"	"3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah..."	"Cc1ccc(Cl)cc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	NA	""
"754666"	"754666"	"3-amino-5-oxo-N-o-tolyl-5,6,7,8-tetrahydrothieno[2,3-b]q..."	"Cc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	NA	""
"754670"	"754670"	"3-amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]qu..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	NA	""
"754735"	"754735"	""	"Nc1n[nH]c2NC(=N)NC(c3ccccc3Cl)c12"	0	NA	NA	1	1	NA	""
"754771"	"754771"	"Itraconazole"	"CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4"	0	"AM|NonCan:Ant"	"FDA approved"	1	1	NA	"84625616"
"754778"	"754778"	""	"Oc1ccccc1NC(=O)c2ccc(CNC(=O)c3ccsc3Nc4ccnc(c4)C(F)(F)F)cc2"	0	NA	NA	1	1	NA	""
"754809"	"754809"	"5-Benzyloxymethyl-7-furan-2-yl-4-me thoxy-5H-pyrrolo[3,2..."	"COc1ncnc2c(cn(COCc3ccccc3)c12)c4occc4"	0	NA	NA	1	1	NA	""
"754811"	"754811"	"5-Benzyloxymethyl-4-methoxy-7-pheny l-5H-pyrrolo[3,2-d]p..."	"COc1ncnc2c(cn(COCc3ccccc3)c12)c4ccccc4"	0	NA	NA	1	1	NA	""
"754824"	"754824"	"4-[4-(3-Methoxy-phenyl)-piperazin-1 -yl]-5H-pyrrolo[3,2-..."	"COc1cccc(c1)N2CCN(CC2)c3ncnc4cc[nH]c34"	0	NA	NA	1	1	NA	""
"755040"	"755040"	"7-bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-ep..."	"Clc1ccccc1[C@@H]2C[C@@H]3Cc4cc(Br)c5ccccc5c4N2O3"	0	NA	NA	1	1	NA	""
"755092"	"755092"	"2,5-dimethyl-N-(6-(morpholinomethyl)quinolin-2-yl)-1-phe..."	"Cc1cc(C(=O)Nc2ccc3cc(CN4CCOCC4)ccc3n2)c(C)n1c5ccccc5"	0	NA	NA	2	2	NA	""
"755117"	"755117"	"Et ester prodigisoene"	"CCOC1=CC(=N/C/1=C\c2[nH]c(C)c(C(=O)OC)c2C)c3ccc[nH]3"	0	NA	NA	2	2	NA	""
"755118"	"755118"	""	"COC1=CC(=N/C/1=C\c2[nH]c(C)c(C(=O)NC(C)C)c2C)c3ccc[nH]3"	0	NA	NA	1	1	NA	""
"755119"	"755119"	""	"COC(=O)CCc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	2	2	NA	""
"755120"	"755120"	""	"COC(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	2	2	NA	""
"755121"	"755121"	""	"COC(=O)CCc1c(C)c(C)[nH]c1\C=C\2/N=C(C=C2OC)c3ccc[nH]3"	0	NA	NA	2	2	NA	""
"755122"	"755122"	""	"COC(=O)CCc1c(CC(=O)OC)c(C)[nH]c1\C=C\2/N=C(C=C2OC)c3ccc[nH]3"	0	NA	NA	1	1	NA	""
"755123"	"755123"	"(sp-4-2)-mu4-[n,nø-bis(3-aminopropyl)butane-1,4-diamine]..."	"C\C(=C/C=N/N=C\1/N\C(=N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)\[SH-][Cu+2][SH-]1)\C=C\C=C(/C)\C=C\C3=C(C)CCCC3(C)C.NCCCNCCCCNCCCN"	0	NA	NA	2	2	NA	""
"755263"	"755263"	""	"O=C(Nc1cccnc1)c2cccs2"	0	NA	NA	1	1	NA	""
"755264"	"755264"	""	"OCCCN1C=Nc2c(C1=N)c(c3ccccc3)c(c4ccccc4)n2Cc5ccccc5"	0	NA	NA	2	2	NA	""
"755265"	"755265"	""	"COC(=O)c1c(NC(=O)c2c(C)onc2c3ccccc3)scc1c4ccccc4"	0	NA	NA	2	2	NA	""
"755266"	"755266"	""	"CN1c2ccccc2C(C)(C)C13CC(=NO3)c4ccc(Cl)c(c4)S(=O)(=O)N5CCCC5"	0	NA	NA	1	1	NA	""
"755267"	"755267"	""	"CCOC(=O)Cn1c(nc2ccccc12)c3nonc3NC(=O)c4ccccc4F"	0	NA	NA	2	2	NA	""
"755268"	"755268"	"(1R,6S,11aS,13S,14aR)-6-ethyl-1,13-dihydroxy-1,6,7,8,9,1..."	"CC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	1	NA	""
"755273"	"755273"	"2-(1-(4-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py..."	"Fc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	NA	""
"755288"	"755288"	"(2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrim..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)N5CCN(CC5)C(=O)c6ccccc6NCc7cccs7"	0	NA	NA	1	1	NA	""
"755289"	"755289"	"(4-(2-(furan-2-ylmethylamino)benzoyl)piperazin-1-yl)(2-p..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)N5CCN(CC5)C(=O)c6ccccc6NCc7occc7"	0	NA	NA	2	2	NA	""
"755290"	"755290"	"(2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrim..."	"COc1cc(CNc2ccccc2C(=O)N3CCN(CC3)C(=O)c4cc(c5cc(OC)c(OC)c(OC)c5)n6nc(cc6n4)c7ccccc7)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"755295"	"755295"	"2-(1-(3-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py..."	"Clc1cccc(c1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	NA	""
"755302"	"755302"	"2-methoxy-4-(7-methoxy-2-phenylbenzo[d]imidazo[2,1-b][1,..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5ccc(O)c(OC)c5)n23"	0	NA	NA	1	1	NA	""
"755307"	"755307"	"7-methoxy-3-(1-naphthyl)-2-phenylbenzo[d]imidazo[2,1-b][..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5cccc6ccccc56)n23"	0	NA	NA	2	2	NA	""
"755308"	"755308"	"7-methoxy-2-phenyl-3-(3-thienyl)benzo[d]imidazo[2,1-b][1..."	"COc1ccc2c(c1)sc3nc(c4ccccc4)c(c5ccsc5)n23"	0	NA	NA	1	1	NA	""
"755384"	"755384"	"Pemetrexed"	"NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c[nH]c2N1"	0	"Df|AM|GARTF|DHFR|TYMS"	"FDA approved"	2	2	NA	"357166304"
"755385"	"755385"	"Pictilisib"	"CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"957054307"
"755386"	"755386"	"Ispinesib"	"CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4"	0	"TUBB|CC|CDH16|KIF11|Kinesin|PK:YK"	"Clinical trial"	2	2	NA	"336113532"
"755387"	"755387"	"Sepantronium bromide"	"COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13"	0	"Apo|BIRC5"	"Clinical trial"	2	2	NA	"781661947"
"755389"	"755389"	"Bosutinib"	"COc1cc2c(Nc3cc(Cl)c(OC)c(Cl)c3)c(cnc2cc1OCCCN4CCN(C)CC4)C#N"	0	"STAT|BCR-ABL|STAT5A/B|PK:YK,LYN,SRC,HCK"	"FDA approved"	2	2	NA	""
"755400"	"755400"	"Masitinib"	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1"	0	"PK:YK,PDGFR,FGFR,KIT,FGFR3"	"FDA approved"	1	1	NA	"790299795"
"755408"	"755408"	""	"Clc1cccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34)c1Cl"	0	NA	NA	1	1	NA	""
"755412"	"755412"	""	"FC(F)(F)c1cc(cc(c1)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34)N6CCOCC6"	0	NA	NA	2	2	NA	""
"755413"	"755413"	""	"FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34)c1"	0	NA	NA	1	1	NA	""
"755417"	"755417"	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34"	0	NA	NA	2	2	NA	""
"755420"	"755420"	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)ncnc34"	0	NA	NA	2	2	NA	""
"755422"	"755422"	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	1	NA	""
"755423"	"755423"	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	NA	""
"755424"	"755424"	""	"Clc1ccc(cc1Cl)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	NA	""
"755425"	"755425"	""	"Clc1ccc(NC(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34)cc1Cl"	0	NA	NA	2	2	NA	""
"755426"	"755426"	""	"Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)n4ccc5c(NC(=O)c6ccccc6)nccc45"	0	NA	NA	2	2	NA	""
"755427"	"755427"	""	"FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(cc2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	2	2	NA	""
"755428"	"755428"	""	"FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34)cc(c1)C(F)(F)F"	0	NA	NA	1	1	NA	""
"755429"	"755429"	""	"FC(F)(F)c1cc(ccc1Cl)C(=O)Nc2cccc(c2)n3ccc4c(NC(=O)c5ccccc5)nccc34"	0	NA	NA	3	2	NA	""
"755431"	"755431"	""	"Nc1nccc2c1ccn2c3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3"	0	NA	NA	2	1	NA	""
"755435"	"755435"	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNC(=O)c5ccccc5O)n4"	0	NA	NA	2	2	NA	""
"755437"	"755437"	""	"CCN1CCN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S1(=O)=O"	0	NA	NA	3	3	NA	""
"755441"	"755441"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)cc4"	0	NA	NA	1	1	NA	""
"755442"	"755442"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	NA	NA	2	2	NA	""
"755443"	"755443"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	NA	NA	2	2	NA	""
"755444"	"755444"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	NA	NA	1	1	NA	""
"755453"	"755453"	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCN5CCN(Cc6ccccc6)S5(=O)=O)n4"	0	NA	NA	1	1	NA	""
"755458"	"755458"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(Cl)c5)cc4"	0	NA	NA	1	1	NA	""
"755459"	"755459"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)cc4"	0	NA	NA	1	1	NA	""
"755461"	"755461"	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNC(=O)c5ccccc5)n4"	0	NA	NA	1	1	NA	""
"755464"	"755464"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)Nc5cccc(Cl)c5Cl)cc4"	0	NA	NA	1	1	NA	""
"755465"	"755465"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4"	0	NA	NA	1	1	NA	""
"755469"	"755469"	""	"Nc1nccc2c1ccn2c3ccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)cc3"	0	NA	NA	2	2	NA	""
"755523"	"755523"	""	"CCC[CH-][Sn+4]12([CH-]CCC)[nH-]3cccc3c4cc(OC)c(C=C5C(=C(C(=O)OCc6ccccc6)C(=[N+]15)C)C)[nH-]24"	0	NA	NA	2	2	NA	""
"755606"	"755606"	"Cediranib"	"COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5"	0	"PK:YK,VEGF,VEGFR,KDR"	"FDA approved"	4	4	NA	"288383200"
"755642"	"755642"	"4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino..."	"Oc1ccc(CN(Cc2ccc(cc2)C(F)(F)F)Cc3ccc(O)c4ncccc34)c5cccnc15"	0	NA	NA	2	2	NA	""
"755761"	"755761"	"XAV-939"	"Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F"	0	"Wnt|PK:YK,TNKS"	"Clinical trial"	2	1	NA	"284028893"
"755762"	"755762"	"Luminespib"	"CCNC(=O)c1noc(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3"	0	"HSP90"	"Clinical trial"	2	2	NA	"747412493"
"755763"	"755763"	"Pimasertib"	"OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F"	0	"PK:STK,YK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"1236699925"
"755769"	"755769"	"LY-294002"	"O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"154447366"
"755770"	"755770"	"PD-0325901"	"OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F"	0	"PK:STK,MAP2K,MAP2K1"	"Clinical trial"	2	2	NA	"391210109"
"755773"	"755773"	"1,9-Pyrazoleanthrone"	"O=C1c2ccccc2c3n[nH]c4cccc1c34"	0	"PK:STK,MAPK14,MAPK8"	"Clinical trial"	1	1	NA	"129566"
"755775"	"755775"	"Foretinib"	"COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6"	0	"PK:YK,MET,AXL,VEGFR,KDR,RON,Multikinase"	"Clinical trial"	2	2	NA	"849217647"
"755806"	"755806"	"XL-147"	"Cc1ccc(cc1)S(=O)(=O)Nc2nc3ccccc3nc2Nc4ccc5nsnc5c4"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"956958535"
"755809"	"755809"	"Vismodegib"	"CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)c3ccccn3)c(Cl)c1"	0	"SMO|PK:YK"	"FDA approved"	1	1	NA	"879085559"
"755841"	"755841"	"Actinomycin D"	"CC(C)C1NC(=O)C(NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O)C(C)OC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)OC(C)C6NC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)c5N=C34)C"	0	"Db"	"FDA approved"	2	2	45006140	"50760"
"755871"	"755871"	"Amphotericin B"	"C[C@@H]1OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C[C@]2(O)C[C@H](O)C(C(C[C@@H](OC3OC(C)C(O)[C@@H](N)C3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O"	0	""	"FDA approved"	1	1	23863720	"1397893"
"755880"	"755880"	"Mitomycin"	"CO[C@@]12[C@@H]3NC3CN1C4=C([C@@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N"	0	"A2|AlkAg"	"FDA approved"	2	2	5702003	"50077"
"755892"	"755892"	"Hydrastinine HCl"	"CN1CCc2cc3OCOc3cc2C1O"	0	"NonCan:Antihemorrhagic"	"Clinical trial"	2	2	NA	"4884688"
"755900"	"755900"	"azathioprine (usan)"	"Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-]"	0	NA	NA	1	1	NA	"446866"
"755908"	"755908"	"Benzethonium Chloride"	"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"	0	""	""	1	1	8478	"121540"
"755914"	"755914"	"bisacodyl (usan)"	"CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3"	0	NA	NA	2	2	NA	"603509"
"755915"	"755915"	"bromocriptine mesylate (usan)"	"CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C"	0	""	""	1	1	5702014	"22260511"
"755926"	"755926"	"PF-03084014 diastereomer 1"	"CCC[C@H](N[C@@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	1	1	NA	""
"755980"	"755980"	"Lenvatinib"	"COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)N"	0	"PK:YK,PDGFR,FGFR,VEGFR,KDR,RET"	"FDA approved"	1	1	NA	"417716928"
"755983"	"755983"	"BI-2536"	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O"	0	"PK:STK,PLK1"	"Clinical trial"	3	3	NA	"755038029"
"755985"	"755985"	"Nelarabine"	"COc1nc(N)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O"	0	"Ds"	"FDA approved"	1	1	3011155	"121032299"
"756053"	"756053"	""	"CNC(=O)Nc1ccc(cc1)c2nc(nc3c2cnn3C4CCOCC4)N5CCOCC5"	0	NA	NA	2	2	NA	""
"756058"	"756058"	"[9S-(9-.alpha.-10-.beta.-11-.beta.-13-.alpha.)]-N-(2,3,1..."	"CO[C@@H]1[C@@H](C[C@@H]2O[C@]1(C)n3c4ccccc4c5c6C(=O)NC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	NA	NA	1	1	NA	"154589965"
"756078"	"756078"	"1-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-ph..."	"COc1ccc(cc1)C2CC(=NN2)n3nnnc3c4ccccc4"	0	NA	NA	1	1	NA	""
"756083"	"756083"	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756084"	"756084"	""	"OCCN1C2=C(C(c3cccc(Br)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756085"	"756085"	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756086"	"756086"	""	"OCCN1C2=C(C(c3ccc(Cl)c(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756087"	"756087"	""	"OCCN1C2=C(C(c3cccc(Br)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756088"	"756088"	""	"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756089"	"756089"	""	"OCCN1C2=C(C(c3ccc(Cl)c(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"756090"	"756090"	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	NA	""
"756091"	"756091"	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4ccc(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"756093"	"756093"	"AOB6494"	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4ccccc4"	0	""	""	1	1	91826517	""
"756095"	"756095"	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"756106"	"756106"	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	1	NA	""
"756110"	"756110"	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"756111"	"756111"	""	"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Cl)c4"	0	NA	NA	2	2	NA	""
"756130"	"756130"	"GR105659X"	"Oc1ccc2\C(=C\3/C(=O)Nc4ccccc34)\CCc2c1"	0	NA	NA	2	2	NA	""
"756132"	"756132"	"GSK1000163A"	"CCn1c(nc2c(nc(CN3CCCC3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756133"	"756133"	"GSK1007102B"	"CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756134"	"756134"	"GSK1023156A"	"NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccccc34"	0	NA	NA	1	1	NA	""
"756135"	"756135"	"GSK1030058A"	"COC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34"	0	NA	NA	2	1	NA	""
"756137"	"756137"	"GSK1030061A"	"CNC(=O)c1sc(cc1OCc2ccccc2C(F)(F)F)n3cnc4cc(OC)c(OC)cc34"	0	NA	NA	2	2	NA	""
"756139"	"756139"	"GSK1173862A"	"CCCN1CCCC(C1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2"	0	NA	NA	2	2	NA	""
"756140"	"756140"	"GSK1220512A"	"COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)N)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	NA	""
"756141"	"756141"	"GSK1326255A"	"CCCN1CCC(CC1)c2ccc(Nc3nc(Nc4cc(F)ccc4C(=O)N)c5cc[nH]c5n3)c(OC)c2"	0	NA	NA	2	2	NA	""
"756142"	"756142"	"GSK1392956A"	"COc1cc(ccc1Nc2nc(Nc3ccc(F)cc3C(=O)NCC(O)CO)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	NA	""
"756143"	"756143"	"GSK1511931A"	"COc1cc(ccc1Nc2nc(Nc3cccc4ncccc34)c5cc[nH]c5n2)N6CCN(CC6)C(C)C"	0	NA	NA	2	2	NA	""
"756144"	"756144"	"GSK1713088A"	"CCCN1CCC(CC1)Oc2cc(Nc3nc(Nc4cccc(F)c4C(=O)N)c5cc[nH]c5n3)c(OC)cc2Cl"	0	NA	NA	2	1	NA	""
"756145"	"756145"	"GSK1751853A"	"COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc4nc(Nc5cccc(F)c5C(=O)N)c6cc[nH]c6n4"	0	NA	NA	2	1	NA	""
"756146"	"756146"	"GSK180736A"	"CC1=C(C(NC(=O)N1)c2ccc(F)cc2)C(=O)Nc3ccc4[nH]ncc4c3"	0	NA	NA	2	1	NA	""
"756147"	"756147"	"GSK1819799A"	"COc1cc(ccc1Nc2nc(Nc3cccc(F)c3C(=O)O)c4cc[nH]c4n2)N5CCN(CC5)C(C)C"	0	NA	NA	2	2	NA	""
"756148"	"756148"	"GSK182497A"	"CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	NA	""
"756149"	"756149"	"GSK192082A"	"CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	NA	""
"756150"	"756150"	"GSK200398A"	"O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc6ccccc6)c4)c3s2)N7CCOCC7"	0	NA	NA	2	2	NA	""
"756151"	"756151"	"GSK204925A"	"COc1cc2ncn(c3cc(OCCc4ccccc4)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	1	NA	""
"756152"	"756152"	"GSK2110236A"	"COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3"	0	NA	NA	2	2	NA	""
"756153"	"756153"	"GSK2163632A"	"COc1cc2c(cc1Nc3nc(Nc4ccsc4C(=O)N)c5cc[nH]c5n3)N(CCC2(C)C)C(=O)CN(C)C"	0	NA	NA	2	2	NA	""
"756154"	"756154"	"GSK2186269A"	"COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(N4CCc5ccccc45)c6cc[nH]c6n3"	0	NA	NA	2	2	NA	""
"756155"	"756155"	"GSK2213727A"	"COc1cc(C)c(NC(=O)CN(C)C)cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2"	0	NA	NA	2	2	NA	""
"756156"	"756156"	"GSK2219385A"	"COc1cc(C)c(cc1Nc2nc(Nc3cccc(F)c3C(=O)N)c4cc[nH]c4n2)N(C)C(=O)CN(C)C"	0	NA	NA	2	2	NA	""
"756157"	"756157"	"GSK2220400A"	"CNC(=O)c1ncccc1Nc2nc(Nc3cc4N(CCCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25"	0	NA	NA	2	2	NA	""
"756158"	"756158"	"GSK237700A"	"COc1cc2ncn(c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	NA	""
"756159"	"756159"	"GSK238583A"	"O=C(O[C@H]1CN[C@@H](C1)C#Cc2cc3ncnc(Nc4ccc(Cc5ccccc5)cc4)c3s2)N6CCOCC6"	0	NA	NA	2	2	NA	""
"756160"	"756160"	"GSK248233A"	"CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)c5nonc5N"	0	NA	NA	2	2	NA	""
"756161"	"756161"	"GSK259178A"	"Fc1ccc(F)c(Cn2ccc3cc(Nc4ncnc5cc(C#C[C@@H]6C[C@H](CN6)OC(=O)N7CCOCC7)sc45)ccc23)c1"	0	NA	NA	2	2	NA	""
"756162"	"756162"	"GSK269962B"	"CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)c6nonc6N"	0	NA	NA	2	2	NA	""
"756163"	"756163"	"GSK270822A"	"CC1=C(C(CC(=O)N1)c2ccc3ccccc3c2)C(=O)Nc4ccc5[nH]ncc5c4"	0	NA	NA	2	2	NA	""
"756164"	"756164"	"GSK299115A"	"CC1=C(C(CC(=O)N1)c2ccc(Cl)c(Cl)c2)C(=O)Nc3ccc4[nH]ncc4c3"	0	NA	NA	2	2	NA	""
"756165"	"756165"	"GSK300014A"	"CS(=O)(=O)CCNCc1cc(cs1)c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2"	0	NA	NA	2	1	NA	""
"756166"	"756166"	"GSK312948A"	"COc1cc2ncn(c3cc(OCc4cccs4)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	1	NA	""
"756167"	"756167"	"GSK237701A"	"COc1cc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	NA	""
"756168"	"756168"	"GSK238063A"	"CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2"	0	NA	NA	2	2	NA	""
"756169"	"756169"	"GSK317314A"	"COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(=O)N)c2c1"	0	NA	NA	2	2	NA	""
"756170"	"756170"	"GSK317315A"	"COc1ccc2ncn(c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(=O)N)c2c1"	0	NA	NA	2	2	NA	""
"756171"	"756171"	"GSK317354A"	"CC1=C(C(N=C(N1)c2ccc(nc2)C(F)(F)F)c3ccc(F)cc3)C(=O)Nc4ccc5[nH]ncc5c4"	0	NA	NA	2	1	NA	""
"756173"	"756173"	"GSK326090A"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	NA	NA	2	2	NA	""
"756174"	"756174"	"GSK466314A"	"CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc4[nH]nc(C)c4c3"	0	NA	NA	2	2	NA	""
"756175"	"756175"	"GSK466317A"	"CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3cc(Cl)c4[nH]ncc4c3"	0	NA	NA	2	2	NA	""
"756176"	"756176"	"GSK554170A"	"CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756178"	"756178"	"GSK571989A"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OCC4CCN(C)CC4)cc23)c5ccccc5Cl"	0	NA	NA	2	2	NA	""
"756179"	"756179"	"GSK579289A"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC4CCN(C)CC4)cc23)c5ccccc5Cl"	0	NA	NA	2	2	NA	""
"756182"	"756182"	"GSK614526A"	"CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756183"	"756183"	"GSK619487A"	"CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756184"	"756184"	"GSK620503A"	"NC(=O)c1cc(cc(c1N)c2ccncc2)c3ccc(F)cc3"	0	NA	NA	2	1	NA	""
"756185"	"756185"	"GSK625137A"	"NC(=O)c1cc(cc(c1N)c2ccccc2)c3ccncc3"	0	NA	NA	2	1	NA	""
"756188"	"756188"	"GSK718429A"	"CCn1cc(c2ccnc3[nH]ccc23)c(n1)c4cccc(NC(=O)Nc5ccc(OCc6ccccc6)cc5)c4"	0	NA	NA	2	1	NA	""
"756189"	"756189"	"GSK938890A"	"CCn1c(nc2c(nc(OC[C@@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756190"	"756190"	"GSK949675A"	"CCn1c(nc2c(nc(OCCNC)cc12)C#CC(C)(C)O)c3nonc3N"	0	NA	NA	2	1	NA	""
"756193"	"756193"	"GSK978744A"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(OC[C@@H](O)CO)cc23)c4ccccc4Cl"	0	NA	NA	2	2	NA	""
"756194"	"756194"	"GSK980961A"	"NS(=O)(=O)c1cccc(c1)c2cc3ccncc3cc2OCc4ccccc4"	0	NA	NA	2	1	NA	""
"756195"	"756195"	"GSK994854A"	"CCCN1CCC=C(C1)c2ccc(Nc3nc(Nc4ccccc4C(=O)N)c5cc[nH]c5n3)c(C)c2"	0	NA	NA	2	2	NA	""
"756199"	"756199"	"GW278681X"	"CS(=O)(=O)Nc1ccc(N\C=C\2/C(=O)Nc3ccccc23)cc1"	0	NA	NA	2	1	NA	""
"756202"	"756202"	"GW282449A"	"COc1cc2ncnc(Nc3ccc4c(cnn4Cc5ccccc5)c3)c2cc1OC"	0	NA	NA	2	2	NA	""
"756204"	"756204"	"GW282974X"	"CN(C)c1cc2c(Nc3ccc4c(cnn4Cc5ccccc5)c3)ncnc2cn1"	0	NA	NA	2	2	NA	""
"756205"	"756205"	"GW284372X"	"C(Oc1ccc(Nc2ncnc3ccc(cc23)c4occc4)cc1)c5ccccc5"	0	NA	NA	2	2	NA	""
"756208"	"756208"	"GSK943949A"	"CCn1c(nc2c(nc(OC[C@H](N)c3ccccc3)cc12)C#CC(C)(C)O)c4nonc4N"	0	NA	NA	2	2	NA	""
"756209"	"756209"	"GW296115X"	"COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c6C(=O)NC(=O)c6c3c2c1"	0	NA	NA	2	2	NA	""
"756210"	"756210"	"GW297361X"	"NS(=O)(=O)c1ccc(N\C=C\2/C(=O)Nc3ccc4ncsc4c23)cc1"	0	NA	NA	2	2	NA	""
"756211"	"756211"	"GW300653X"	"CC(C)c1ccc2\C(=N\Nc3ccc(cc3)S(=O)(=O)N)\C(=O)Nc2c1"	0	NA	NA	2	1	NA	""
"756215"	"756215"	"GW301789X"	"O=C1Nc2ccccc2/C/1=C/Nc3ccc(cc3)n4cncn4"	0	NA	NA	2	2	NA	""
"756216"	"756216"	"GW301888X"	"CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1"	0	NA	NA	2	1	NA	""
"756217"	"756217"	"GW305178X"	"NS(=O)(=O)c1ccc(N\N=C\2/C(=O)Nc3ccc4ncccc4c23)cc1"	0	NA	NA	2	2	NA	""
"756218"	"756218"	"GW335962X"	"C\C(=C/1\C(=O)Nc2ccccc12)\Nc3ccc(cc3)S(=O)(=O)N"	0	NA	NA	2	2	NA	""
"756220"	"756220"	"GW396574X"	"CC(=Cc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(=O)(=O)N)\c12)C"	0	NA	NA	2	2	NA	""
"756223"	"756223"	"GW406731X"	"COC(=O)c1cncc(\C=C\c2c(C)cc(O)cc2C)c1"	0	NA	NA	2	1	NA	""
"756225"	"756225"	"GW410563A"	"COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC"	0	NA	NA	2	2	NA	""
"756226"	"756226"	"GW416469X"	"CN(C)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1"	0	NA	NA	2	2	NA	""
"756227"	"756227"	"GW416981X"	"CC(C)COC(=O)c1ccc2NC(=O)\C(=C/Nc3ccc(cc3)S(=O)(=O)N)\c2c1"	0	NA	NA	2	1	NA	""
"756233"	"756233"	"GW435821X"	"Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)N"	0	NA	NA	2	2	NA	""
"756234"	"756234"	"GW439255X"	"Cc1cc(O)cc(C)c1\C=C\c2cncc(c2)C(=O)OC(C)(C)C"	0	NA	NA	2	1	NA	""
"756235"	"756235"	"GW440139A"	"Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4"	0	NA	NA	2	2	NA	""
"756236"	"756236"	"GW441756X"	"Cn1cc(\C=C\2/C(=O)Nc3cccnc23)c4ccccc14"	0	NA	NA	2	2	NA	""
"756238"	"756238"	"GW442130X"	"COc1ccccc1c2cc(\C=C\3/C(=O)Nc4ncc(Br)cc34)cc(Br)c2O"	0	NA	NA	2	1	NA	""
"756243"	"756243"	"GW450241X"	"CCc1cccc(CC)c1\C=C\c2cncc(c2)C(=O)NC"	0	NA	NA	2	2	NA	""
"756245"	"756245"	"GW458787A"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	NA	""
"756247"	"756247"	"GW461104A"	"CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"756248"	"756248"	"GW513184X"	"COc1cc(\C=N\Nc2ncnc3c2cnn3c4ccccc4)ccc1O"	0	NA	NA	2	2	NA	""
"756251"	"756251"	"GW559768X"	"Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)S(=O)(=O)C"	0	NA	NA	2	2	NA	""
"756253"	"756253"	"GW566221A"	"CS(=O)(=O)CCNCc1coc(c1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	NA	""
"756254"	"756254"	"GW567808A"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2"	0	NA	NA	2	1	NA	""
"756256"	"756256"	"GW568377A"	"CS(=O)(=O)CCNCc1ccoc1c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2"	0	NA	NA	2	2	NA	""
"756258"	"756258"	"GW569530A"	"CS(=O)(=O)CCNCc1nc(cs1)c2ccc3ncnc(Nc4ccc(OCc5cccc(c5)C(F)(F)F)cc4)c3c2"	0	NA	NA	2	1	NA	""
"756260"	"756260"	"GW572401X"	"CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3ccccc3)c1"	0	NA	NA	2	2	NA	""
"756261"	"756261"	"GW572738X"	"Fc1ccccc1C(=O)Nc2sc3CCCCc3c2C#N"	0	NA	NA	2	2	NA	""
"756263"	"756263"	"GW574783B"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"756265"	"756265"	"GW575808A"	"Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(=O)N)n2)cc1O"	0	NA	NA	2	2	NA	""
"756267"	"756267"	"GW576609A"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(CN6CCS(=O)CC6)cc5)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756268"	"756268"	"GW576924A"	"Fc1cc(Nc2ncnc3ccc(cc23)c4oc(CN5CCS(=O)CC5)cc4)ccc1OCc6ccccc6"	0	NA	NA	2	2	NA	""
"756269"	"756269"	"GW577921A"	"COc1ccccc1Nc2oc(cn2)c3ccccc3"	0	NA	NA	2	1	NA	""
"756271"	"756271"	"GW580496A"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Br)c4)c3c2"	0	NA	NA	2	2	NA	""
"756272"	"756272"	"GW580509X"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(OC)c3)c1"	0	NA	NA	2	2	NA	""
"756274"	"756274"	"GW583373A"	"Clc1cc(Nc2ncnc3ccc(cc23)c4oc(CN5CCS(=O)CC5)cc4)ccc1OCc6ccccc6"	0	NA	NA	2	2	NA	""
"756275"	"756275"	"GW589961A"	"COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1"	0	NA	NA	2	2	NA	""
"756276"	"756276"	"GW607049C"	"COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1"	0	NA	NA	2	2	NA	""
"756278"	"756278"	"GW612286X"	"COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"756279"	"756279"	"GW615311X"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(COCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756280"	"756280"	"GW616030X"	"CS(=O)(=O)CCN(CC#N)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"756282"	"756282"	"GW620972X"	"O=C(Nc1sc2CCCCc2c1C#N)c3cccc4ccccc34"	0	NA	NA	2	2	NA	""
"756283"	"756283"	"GW621431X"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)C(=O)C)c1"	0	NA	NA	1	1	NA	""
"756284"	"756284"	"GW621823A"	"CCCN(CCS(=O)(=O)C)Cc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"756285"	"756285"	"GW621970X"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(F)c3)c1"	0	NA	NA	2	2	NA	""
"756287"	"756287"	"GW627512B"	"COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"756288"	"756288"	"GW589933X"	"NS(=O)(=O)c1ccc(N\C=C\2/C(=O)Nc3ccc4ncsc4c23)cc1"	0	NA	NA	2	2	NA	""
"756290"	"756290"	"GW631581B"	"COc1cc(Nc2oc(cn2)c3ccccc3)cc(OC)c1"	0	NA	NA	2	2	NA	""
"756292"	"756292"	"GW632580X"	"COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1"	0	"PK:CSF1R"	""	2	2	NA	""
"756293"	"756293"	"GW633459A"	"Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5oc(CNCCS(=O)(=O)c6ccccc6)cc5)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756297"	"756297"	"GW643971X"	"COc1cc(\C=N\Nc2ncnc3c2cnn3Cc4ccccc4)ccc1O"	0	NA	NA	2	2	NA	""
"756298"	"756298"	"GW644007X"	"COc1cc(\C=N\Nc2ncnc3c2cnn3C(C)C)ccc1O"	0	NA	NA	2	2	NA	""
"756300"	"756300"	"GW654652C"	"CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(n2)N(C)c3ccc4c(C)n[nH]c4c3)c1"	0	NA	NA	2	1	NA	""
"756301"	"756301"	"GW659386A"	"COC(=O)Nc1nc2cc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)ccc2[nH]1"	0	NA	NA	2	2	NA	""
"756302"	"756302"	"GW659893X"	"Nc1ccc(cc1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	1	NA	""
"756303"	"756303"	"GW673715X"	"CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1"	0	NA	NA	2	2	NA	""
"756304"	"756304"	"GW678313X"	"CCS(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3cccc(c3)c4ccccc4F)c1"	0	NA	NA	2	2	NA	""
"756306"	"756306"	"GW680191X"	"CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1"	0	NA	NA	2	2	NA	""
"756309"	"756309"	"GW682841X"	"CC(C)c1ccc(cc1)c2cc(ccn2)c3c[nH]nc3c4ccccn4"	0	NA	NA	2	1	NA	""
"756312"	"756312"	"GW683134A"	"Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F"	0	NA	NA	2	2	NA	""
"756314"	"756314"	"GW684626B"	"Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)c5cccs5)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756316"	"756316"	"GW693881A"	"Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)c5ccc[nH]5)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756317"	"756317"	"GW693917A"	"COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1"	0	NA	NA	2	2	NA	""
"756318"	"756318"	"GW694234A"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1"	0	NA	NA	2	2	NA	""
"756319"	"756319"	"GW694590A"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)ccc2[nH]1"	0	NA	NA	2	2	NA	""
"756323"	"756323"	"GW701427A"	"COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(c4)C(=O)O)cc3)ccc2[nH]1"	0	NA	NA	2	2	NA	""
"756324"	"756324"	"GW703087X"	"CC(=O)Nc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	NA	""
"756327"	"756327"	"GW709042A"	"Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5ccccc5)nc4c3)cc2)C(F)(F)F"	0	NA	NA	2	2	NA	""
"756332"	"756332"	"GW768505A"	"COc1ccc(cc1)c2oc3ncnc(N)c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4"	0	NA	NA	2	2	NA	""
"756333"	"756333"	"GW769076X"	"Cc1ccc(NC(=O)c2ccnc(c2)N3CCCC3)cc1c4ccc(cc4)C(=O)NCC5CC5"	0	NA	NA	2	1	NA	""
"756335"	"756335"	"GW770249A"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	NA	""
"756336"	"756336"	"GW770249X"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	NA	""
"756337"	"756337"	"GW771127A"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3"	0	NA	NA	2	1	NA	""
"756338"	"756338"	"GW772405X"	"CNC(=O)c1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	NA	""
"756345"	"756345"	"GW782612X"	"NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1"	0	NA	NA	2	1	NA	""
"756346"	"756346"	"GW782907X"	"Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CCCCC4"	0	NA	NA	2	1	NA	""
"756348"	"756348"	"GW784307A"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)C(=O)NCCN(C)C)ncnc23"	0	NA	NA	2	2	NA	""
"756350"	"756350"	"GW784752X"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	NA	""
"756352"	"756352"	"GW785804X"	"Nc1nc(c2ccc(F)cc2)c(s1)c3ccc4ncccc4n3"	0	NA	NA	2	2	NA	""
"756355"	"756355"	"GW794607X"	"CCCNc1cccc(c1)n2ncc3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	NA	""
"756356"	"756356"	"GW794726X"	"CC(=O)Nc1cccc(n1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	NA	""
"756357"	"756357"	"GW795486X"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	NA	""
"756358"	"756358"	"GW795493X"	"Nc1ncnc2occ(c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12"	0	NA	NA	2	2	NA	""
"756362"	"756362"	"GW801372X"	"COc1cc(Nc2nccc(n2)c3cnn4ncccc34)cc(OC)c1"	0	NA	NA	2	1	NA	""
"756363"	"756363"	"GW804482X"	"COc1cccc(COc2cc(sc2C(=O)N)n3cnc4ccccc34)c1"	0	NA	NA	2	2	NA	""
"756364"	"756364"	"GW805758X"	"CC(C)c1ccc(Nc2nccc(n2)c3cnn4ncccc34)cc1"	0	NA	NA	2	2	NA	""
"756366"	"756366"	"GW806742X"	"CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c3ccnc(Nc4cccc(c4)S(=O)(=O)N)n3"	0	NA	NA	2	2	NA	""
"756368"	"756368"	"GW807930X"	"CC(=O)NCc1cccc(c1)C#Cc2cncnc2Nc3ccc(OCc4cccc(F)c4)c(Cl)c3"	0	NA	NA	2	2	NA	""
"756369"	"756369"	"GW807982X"	"CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cc(OC)cc(c4)C(F)(F)F)n3"	0	NA	NA	2	2	NA	""
"756370"	"756370"	"GW809885X"	"COc1cccc(c1)n2nc(C)c3c(N\N=C(/C)\c4ccncc4)ncnc23"	0	NA	NA	2	2	NA	""
"756371"	"756371"	"GW809897X"	"CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c3ccnc(Nc4cccc(CS(=O)(=O)C)c4)n3"	0	NA	NA	2	2	NA	""
"756372"	"756372"	"GW810372X"	"COc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(OC(F)(F)F)c4)n3"	0	NA	NA	2	2	NA	""
"756374"	"756374"	"GW811168X"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(cc4)S(=O)(=O)C)ncnc23"	0	NA	NA	2	2	NA	""
"756375"	"756375"	"GW811761X"	"CCOc1ccc2c(cnn2n1)c3ccnc(Nc4cccc(c4)C(F)(F)F)n3"	0	NA	NA	2	2	NA	""
"756377"	"756377"	"GW814408X"	"COc1cccc(c1)c2c[nH]c3c(N\N=C\c4ccncc4)ncnc23"	0	NA	NA	2	2	NA	""
"756384"	"756384"	"GW827099X"	"Fc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	NA	""
"756385"	"756385"	"GW827102X"	"FC(F)(F)c1cccc(c1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	NA	""
"756387"	"756387"	"GW827106X"	"COc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccc6OCCOc6c5)n4"	0	NA	NA	2	2	NA	""
"756391"	"756391"	"GW829055X"	"Clc1ccc(cc1)c2nn3ncccc3c2c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	NA	""
"756394"	"756394"	"GW829877X"	"COc1cccc(c1)n2ncc3c(N\N=C\c4ccc(C)cc4)ncnc23"	0	NA	NA	2	1	NA	""
"756395"	"756395"	"GW829906X"	"Cc1ccc2c(c3ccnc(Nc4cccc(c4)C(F)(F)F)n3)c(nn2n1)c5ccccc5"	0	NA	NA	2	2	NA	""
"756401"	"756401"	"GW832467X"	"Cc1ccc2c(c3ccnc(Nc4ccc5OCCOc5c4)n3)c(nn2n1)c6ccc(cc6)C(F)(F)F"	0	NA	NA	2	2	NA	""
"756402"	"756402"	"GW833373X"	"Cc1ccc2c(c3ccnc(Nc4ccccc4)n3)c(nn2n1)c5ccc(F)cc5"	0	NA	NA	2	2	NA	""
"756403"	"756403"	"GW837331X"	"COc1cc(Nc2ncc3c(C)nc(c4cccc(c4)C(F)(F)F)n3n2)cc(OC)c1OC"	0	NA	NA	2	1	NA	""
"756404"	"756404"	"GW843682X"	"COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	NA	""
"756405"	"756405"	"GW846105X"	"O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C3CC3)c4cccc5ccccc45"	0	NA	NA	2	2	NA	""
"756406"	"756406"	"GW852849X"	"COc1cc2ncn(c3cc(OCc4ccccc4Cl)c(s3)C(=O)N)c2cc1OC"	0	NA	NA	2	2	NA	""
"756407"	"756407"	"GW853606X"	"NC(=O)c1sc(cc1OCc2ccccc2Br)n3cnc4ccc(cc34)C(F)(F)F"	0	NA	NA	2	2	NA	""
"756409"	"756409"	"GW856804X"	"Nc1ncc(c2cccc(c2)S(=O)(=O)N)c3scc(c4ccc(F)c(Cl)c4)c13"	0	NA	NA	2	1	NA	""
"756411"	"756411"	"GW869810X"	"Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@@H]5C[C@H](CN5)OC(=O)N6CCOCC6)sc34)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"756413"	"756413"	"GW876790X"	"CCn1c(nc2cncc(C(=O)NCCNC)c12)c3nonc3N"	0	NA	NA	2	2	NA	""
"756416"	"756416"	"SB-220025-A"	"Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4"	0	NA	NA	2	2	NA	""
"756417"	"756417"	"SB-220025-R"	"Nc1nccc(n1)c2c(ncn2C3CCNCC3)c4ccc(F)cc4"	0	NA	NA	2	1	NA	""
"756418"	"756418"	"SB-220455"	"CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(N)n4"	0	NA	NA	2	1	NA	""
"756420"	"756420"	"SB-223133"	"Nc1nccc(n1)c2c(ncn2C3CCC(O)CC3)c4ccc(F)cc4"	0	NA	NA	2	2	NA	""
"756422"	"756422"	"SB-236687"	"CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	NA	""
"756424"	"756424"	"SB-242717"	"Fc1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1"	0	NA	NA	2	1	NA	""
"756432"	"756432"	"SB-253226"	"Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccnc(Oc5cccc(c5)C(F)(F)F)n4"	0	NA	NA	2	1	NA	""
"756437"	"756437"	"SB-278538"	"CC(C)(C)c1ccc(Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(F)cc5)cc1"	0	NA	NA	2	1	NA	""
"756445"	"756445"	"SB-361058"	"COc1ccc(cc1)C2=C(N3CCc4ccccc34)C(=O)NC2=O"	0	NA	NA	2	1	NA	""
"756448"	"756448"	"SB-390527"	"Oc1cccc(NC2=C(C(=O)NC2=O)c3ccccc3Cl)c1"	0	NA	NA	2	2	NA	""
"756449"	"756449"	"SB-400868-A"	"C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1"	0	NA	NA	2	2	NA	""
"756454"	"756454"	"SB-437013"	"COc1ccc2cc(ccc2c1)c3c(nc(c4ccc(cc4)S(=O)C)n3C)c5ccncc5"	0	NA	NA	2	1	NA	""
"756455"	"756455"	"SB-476429-A"	"NCc1ccc(cc1)c2nc(c3ccc(Cl)c(O)c3)c([nH]2)c4ccncc4"	0	NA	NA	2	1	NA	""
"756456"	"756456"	"SB-590885-AAD"	"CN(C)CCOc1ccc(cc1)c2nc(c3ccncc3)c([nH]2)c4ccc5\C(=N\O)\CCc5c4"	0	NA	NA	2	2	NA	""
"756457"	"756457"	"SB-610251-B"	"Oc1cccc(c1)c2nc([nH]c2c3ccncc3)c4ccccc4"	0	NA	NA	2	2	NA	""
"756458"	"756458"	"SB-614067-R"	"O\N=C\1/CCc2cc(ccc12)c3nc([nH]c3c4ccncc4)C5CCNCC5"	0	NA	NA	2	2	NA	""
"756462"	"756462"	"SB-675259-M"	"O=C(Nc1n[nH]c2nnc(cc12)c3cccnc3)C4CC4"	0	NA	NA	2	2	NA	""
"756463"	"756463"	"SB-678557-A"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4ccccc4"	0	NA	NA	2	1	NA	""
"756464"	"756464"	"SB-682330-A"	"CN(C)CCOc1ccc(cc1)c2oc(c3ccncc3)c(c2)c4ccc5\C(=N\O)\CCc5c4"	0	NA	NA	2	2	NA	""
"756465"	"756465"	"SB-686709-A"	"CCN1CCC(CC1)C(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F"	0	NA	NA	2	2	NA	""
"756466"	"756466"	"SB-698596-AC"	"CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)c4cccc(F)c4F)CC1"	0	NA	NA	2	2	NA	""
"756468"	"756468"	"SB-725317"	"Oc1ccc(cc1)c2nc3[nH]nc(NC(=O)C4CC4)c3cc2Br"	0	NA	NA	2	1	NA	""
"756469"	"756469"	"SB-732881"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4"	0	NA	NA	2	2	NA	""
"756470"	"756470"	"SB-732881-H"	"CN1CCC(CC1)C(=O)Nc2n[nH]c3nc(c(Br)cc23)c4ccc(O)cc4"	0	NA	NA	2	2	NA	""
"756471"	"756471"	"SB-732941"	"O=C(Nc1n[nH]c2cc(ccc12)c3ccccc3)C4CC4"	0	NA	NA	2	2	NA	""
"756476"	"756476"	"SB-736302"	"Nc1nonc1c2nc3cnccc3n2C4CC4"	0	NA	NA	2	2	NA	""
"756477"	"756477"	"SB-737198"	"CCOc1nccc2c1nc(c3nonc3N)n2CC"	0	NA	NA	2	1	NA	""
"756480"	"756480"	"SB-739245-AC"	"CCN1CCC(CC(=O)Nc2n[nH]c3nc(c(Br)cc23)c4cccs4)CC1"	0	NA	NA	2	1	NA	""
"756481"	"756481"	"SB-739452"	"Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1c4occc4"	0	NA	NA	2	1	NA	""
"756482"	"756482"	"SB-741905"	"NS(=O)(=O)c1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	2	1	NA	""
"756483"	"756483"	"SB-742864"	"CS(=O)(=O)Nc1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	2	2	NA	""
"756487"	"756487"	"SB-750140"	"NCc1ccc(cc1)n2c(nc3cnccc23)c4nonc4N"	0	NA	NA	2	2	NA	""
"756488"	"756488"	"SB-751148"	"CCc1nccc2c1nc(c3nonc3N)n2CC"	0	NA	NA	2	1	NA	""
"756489"	"756489"	"SB-751399"	"CN(C)CCCn1c(nc2cnccc12)c3nonc3N"	0	NA	NA	2	1	NA	""
"756491"	"756491"	"SB-772077-B"	"CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)c4nonc4N"	0	NA	NA	2	2	NA	""
"756492"	"756492"	"SB-814597"	"Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c4ccccc14"	0	NA	NA	2	2	NA	""
"756501"	"756501"	""	"NC(=N)NC(=N)NCCc1ccccc1"	0	NA	NA	1	1	NA	""
"756619"	"756619"	""	"Fc1ccc(cc1)c2nn3c(nnc3s2)c4cc(cc(c4)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"756641"	"756641"	"ICG-001"	"Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1"	0	"Apo|Wnt|CTNNB1"	"Clinical trial"	2	2	NA	"780757882"
"756642"	"756642"	"Entinostat"	"Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2"	0	"HDAC"	"Clinical trial"	2	2	NA	"209783802"
"756643"	"756643"	"KX-01"	"O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4"	0	"PK:YK,SRC"	"FDA approved"	2	2	NA	"897016829"
"756645"	"756645"	"Crizotinib"	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl"	0	"PK:YK,MET,ALK"	"FDA approved"	3	3	54613769	"877399525"
"756646"	"756646"	"IWR-1"	"O=C(Nc1cccc2cccnc12)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@@H](C=C6)[C@H]5C4=O"	0	"Wnt|CTNNB1"	"Clinical trial"	1	1	NA	"1127442823"
"756647"	"756647"	"Quizartinib"	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	"PK:YK,PDGFR,FLT,KIT,FLT3"	"FDA approved"	2	2	NA	""
"756648"	"756648"	"AZD-1480"	"C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3"	0	"PK:YK,JAK,JAK1,JAK2"	"Clinical trial"	2	2	NA	"935666889"
"756652"	"756652"	"Linsitinib"	"C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	NA	"867160712"
"756654"	"756654"	"ZM-336372"	"CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(O)cc3)c2"	0	"GTPase|PK:BRAF,RAF,RAF1"	"Clinical trial"	1	1	NA	"208260291"
"756656"	"756656"	"MK-2206"	"NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"FDA approved"	3	2	NA	"1032349771"
"756657"	"756657"	"OSU-03012"	"NCC(=O)Nc1ccc(cc1)n2nc(cc2c3ccc4c(ccc5ccccc45)c3)C(F)(F)F"	0	"PK:STK,PDK1"	"Clinical trial"	2	1	NA	"742112330"
"756659"	"756659"	"Intedanib"	"COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)/c5ccccc5)\C(=O)Nc2c1"	0	"PK:YK,PDGFR,FGFR,VEGFR,FLT3"	"FDA approved"	3	3	NA	""
"756660"	"756660"	"Quercetin"	"OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3"	0	"TOP2|AO|NonCan:COMT"	"Clinical trial"	1	1	NA	"117395"
"756662"	"756662"	"sr 13654"	"CCOC(=O)c1ccc2[nH]c(Cc3[nH]c4ccc(cc4c3C)C(=O)OCC)c(C)c2c1"	0	"BIRC5|PK:YK"	"Clinical trial"	4	4	NA	"666752223"
"756663"	"756663"	"Obatoclax"	"COC1=CC(=N/C/1=C/c2[nH]c(C)cc2C)c3cc4ccccc4[nH]3"	0	"Apo|BCL2"	"Clinical trial"	2	2	NA	"803712790"
"756673"	"756673"	"CETYLPYRIDINIUM CHLORIDE"	"CCCCCCCCCCCCCCCC[n+]1ccccc1"	0	NA	NA	2	1	NA	"6004246"
"756688"	"756688"	"colistimethate sodium (usan)"	"CCC(C)C1NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC1=O)C(C)CC)C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O"	0	""	""	1	1	60148381	"8068288"
"756694"	"756694"	"ciclopirox olamine (usan)"	"CC1=CC(=O)N(O)C(=C1)C2CCCCC2"	0	NA	NA	1	1	NA	"41621492"
"756698"	"756698"	"clomid"	"CCN(CC)CCOc1ccc(cc1)\C(=C(/Cl)\c2ccccc2)\c3ccccc3"	0	NA	NA	1	1	NA	"50419"
"756702"	"756702"	"COLCHICINE"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	"TUBB"	"FDA approved"	2	2	NA	"64868"
"756717"	"756717"	"DAUNORUBICIN"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C"	0	"TOP2"	"FDA approved"	2	2	30323	"20830813"
"756731"	"756731"	"Pyrithione Zinc"	"S=C1CC=CC=[N+]1O[Zn]ON2C=CC=CC2=S"	0	""	""	2	1	6327770	"13463417"
"756738"	"756738"	"DIGOXIN"	"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C"	0	"NonCan:CardG"	"FDA approved"	2	1	5702042	"20830755"
"756754"	"756754"	"emetine"	"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45"	0	""	""	2	1	60148385	"316427"
"756765"	"756765"	"(trans-1,2-Cyclohexanediamine)(dihydrogen pyrophosphato)..."	"OP1(=O)OP(=O)(O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	NA	NA	1	1	NA	""
"756779"	"756779"	"diphenyl tin benzyl prodigiosene ester"	"COC1=CC2=[N+]3C1=Cc4[nH-](c(C)c(C(=O)OCc5ccccc5)c4C)[Sn+2]3([nH-]6cccc26)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	NA	""
"756783"	"756783"	"N-[(8-hydroxy-7-quinolinyl)(4-methylphenyl)methyl]benzamide"	"Cc1ccc(cc1)C(NC(=O)c2ccccc2)c3ccc4cccnc4c3O"	0	NA	NA	2	2	NA	""
"756784"	"756784"	"dpc046"	"COc1ccc(cc1)c2oc(nc2)c3ccncc3c4cccc(OC)c4"	0	NA	NA	2	2	NA	""
"756833"	"756833"	""	"Cc1ccc(cc1)C2=Nc3ccc(Cl)cc3C(=O)N2N4C(SCC4=O)c5ccccc5Cl"	0	NA	NA	1	1	NA	""
"756876"	"756876"	"(-)-Nutlin-3"	"COc1ccc(C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5)c(OC(C)C)c1"	0	"Apo|MDM2"	"Clinical trial"	1	1	NA	"675576984"
"756877"	"756877"	"1st Precursor Intermediate to TDP 665759"	"C[C@@H](N1[C@@H](C(=O)Nc2ccc(I)cc2C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4[N+](=O)[O-]"	0	"Apo|MDM2"	"Clinical trial"	1	1	NA	""
"756879"	"756879"	"Lificguat"	"OCc1oc(cc1)c2nn(Cc3ccccc3)c4ccccc24"	0	"HYP|HIF1|EPAS1"	"Clinical trial"	2	2	NA	"170632470"
"756971"	"756971"	""	"COc1ccc(CNC(=N)NC(=N)N)cc1OC"	0	NA	NA	1	1	NA	"802844639"
"756972"	"756972"	""	"NC(=N)NC(=N)NCc1occc1"	0	NA	NA	2	1	NA	"5146225"
"756998"	"756998"	"1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr..."	"Nc1ccc(cc1)C(=C2C[C-]34C5=C6C7=C3[Fe+2]456789%10%11C%12=C8[C-]9(C2)C%10=C%11%12)c%13ccc(O)cc%13"	0	NA	NA	2	2	NA	""
"757000"	"757000"	"WW-H1"	"ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)N(CCCl)CCCl"	0	"HDAC"	""	1	1	NA	""
"757002"	"757002"	"5-chloro-1-(7-chloro-3-methyl-1,4-dioxyquinoxalin-2-yl)-..."	"COc1cc(cc(OC)c1OC)\C(=C\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(Cl)cc3[n+]2[O-])\Cl"	0	NA	NA	1	1	NA	""
"757027"	"757027"	"ETHINYL ESTRADIOL"	"C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#C"	0	"Ho"	"FDA approved"	1	1	24707	"57636"
"757036"	"757036"	"Fluorouracil"	"FC1=CNC(=O)NC1=O"	0	"Ds|Rs|TYMS"	"FDA approved"	1	1	NA	"51218"
"757043"	"757043"	"GRAMICIDIN"	"CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C"	0	""	""	3	3	3851247	"1405976"
"757050"	"757050"	"badil"	"CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C"	0	""	"FDA approved"	2	1	11057	"548629"
"757055"	"757055"	"HEXACHLOROPHENE"	"Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl"	0	NA	NA	1	1	NA	"70304"
"757087"	"757087"	"Nitrogen mustard"	"CN(CCCl)CCCl"	0	"A7|AlkAg"	"FDA approved"	2	2	4033	"51752"
"757098"	"757098"	"Melphalan"	"N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O"	0	"A7|AlkAg"	"FDA approved"	1	1	460612	"148823"
"757113"	"757113"	"DL-Amethopterin"	"CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O"	0	""	""	2	2	4112	"60388536"
"757148"	"757148"	"AZD-7762"	"NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3"	0	"PK:STK,CHEK,CHEK1,CHEK2"	"Clinical trial"	4	4	NA	"860352018"
"757149"	"757149"	"Volasertib"	"CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)ncc2N(C)C1=O"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	NA	"755038654"
"757177"	"757177"	""	"NC(=O)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1"	0	NA	NA	2	2	NA	""
"757296"	"757296"	"pyrvinium pamoate (usan)"	"CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1.Oc5c(Cc6c(O)c(cc7ccccc67)C(=O)[O-])c8ccccc8cc5C(=O)[O-]"	0	""	""	2	2	54720821	"3546416"
"757306"	"757306"	"malacid"	"CCc1nc(N)nc(N)c1c2ccc(Cl)cc2"	0	"DHFR"	"FDA approved"	1	1	NA	"58140"
"757334"	"757334"	"Cpd-401"	"CN(C(=O)c1ccc(cc1)C(F)(F)F)c2ccc(Oc3ccc4c(c3)cc(C(=O)N5CCN(Cc6ccc(OC(F)F)cc6)CC5)n4C)nc2"	0	"STAT|STAT3"	"Clinical trial"	4	4	NA	""
"757348"	"757348"	"6-Thioguanine"	"NC1=Nc2nc[nH]c2C(=S)N1"	0	"Ds|IMPDH2|IMPDH"	"FDA approved"	2	2	NA	"154427"
"757350"	"757350"	"navan"	"CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C/CCN4CCN(C)CC4)\c2c1"	0	""	""	1	1	941650	"5591457"
"757363"	"757363"	"TYROTHRICIN"	"CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C"	0	"NonCan:Ant"	"FDA approved"	2	2	16132496	"1404882"
"757384"	"757384"	"Vinblastine"	"CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	9962911	"143679"
"757387"	"757387"	"ACRIFLAVINIUM HYDROCHLORIDE"	"C[n+]1c2cc(N)ccc2cc3ccc(N)cc13"	0	NA	NA	2	2	NA	"8018073"
"757391"	"757391"	"DICHLOROPHENE"	"Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O"	0	NA	NA	1	1	NA	"97234"
"757400"	"757400"	"pentamidine isethionate"	"NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	""	"FDA approved"	1	1	359323	"140647"
"757402"	"757402"	"phenylmercuric acetate (usan)"	"CC(=O)O[Hg]c1ccccc1"	0	NA	NA	2	2	NA	"62384"
"757424"	"757424"	"melbex"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O"	0	""	"FDA approved"	2	2	NA	"24280931"
"757425"	"757425"	"OUABAIN"	"C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O"	0	""	"FDA approved"	2	1	12420	"11018896"
"757427"	"757427"	"AMINOPTERIN"	"Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1"	0	"DHFR"	""	2	2	2154	"54626"
"757436"	"757436"	"Cabozantinib"	"Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5[nH]c(cc45)C(=O)NCCN6CCOCC6)cc3)cc1"	0	"PK:YK,MET,AXL,KIT,VEGFR,FLT3,RET"	"FDA approved"	2	2	NA	"1021950264"
"757437"	"757437"	"Salinomycin"	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	"Apo|Ab|CD133"	"FDA approved"	2	2	NA	"53003104"
"757438"	"757438"	"PLX-4720"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F"	0	"GTPase|PK:BRAF"	"Clinical trial"	4	4	NA	"918505847"
"757439"	"757439"	"Neratinib"	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	"PK:YK,EGFR,ERBB2"	"FDA approved"	2	2	NA	"698387096"
"757440"	"757440"	"Deforolimius"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OP(=O)(C)C"	0	"PK:STK,MTOR"	"Clinical trial"	2	2	NA	"572924540"
"757441"	"757441"	"Axitinib"	"CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2"	0	"PK:YK,PDGFR,VEGFR"	"FDA approved"	2	2	6450551	"319460850"
"757442"	"757442"	"Intedanib"	"COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)/c5ccccc5)\C(=O)Nc2c1"	0	"PK:YK,PDGFR,FGFR,VEGFR,FLT3"	"FDA approved"	2	2	NA	"928326834"
"757444"	"757444"	"Barasertib"	"CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1"	0	"PK:STK,AURK"	"Clinical trial"	1	1	NA	"722544516"
"757568"	"757568"	""	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)OC(C)C)n2"	0	NA	NA	2	2	NA	""
"757569"	"757569"	""	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/c3ocnn3)n2"	0	NA	NA	2	2	NA	""
"757795"	"757795"	"BERBERINE CHLORIDE"	"COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC"	0	NA	NA	1	1	NA	"633658"
"757804"	"757804"	"Etoposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(OC4O[C@@H]5COC(C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26"	0	"TOP2"	"FDA approved"	2	2	6708815	"33419420"
"757818"	"757818"	"ETHAVERINE HYDROCHLORIDE"	"CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC"	0	""	""	1	1	5702159	"985137"
"757824"	"757824"	"fenbendazole (usan)"	"COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1"	0	""	""	2	2	3334	"43210679"
"757836"	"757836"	"puromycin hydrochloride (usan)"	"COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)OC([C@@H]2O)n3cnc4c(ncnc34)N(C)C)cc1"	0	""	""	2	2	60148403	"58582"
"757838"	"757838"	"Mebendazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3"	0	"Tu-stab"	"FDA approved"	2	2	NA	"31431397"
"757852"	"757852"	"suloctidil (usan)"	"CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1"	0	""	""	1	1	5354	"54063568"
"757882"	"757882"	"Econazole Nitrate"	"Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1"	0	""	"FDA approved"	2	1	68589	"68797319"
"757908"	"757908"	""	"CCCN(CCC)c1ccc(C=O)c(C)c1"	0	NA	NA	2	2	NA	""
"757909"	"757909"	""	"CCCN(CCC)c1ccc(C=O)c(OC)c1"	0	NA	NA	1	1	NA	""
"757910"	"757910"	""	"CCCN(CCC)c1ccc(C=O)c(Cl)c1"	0	NA	NA	2	2	NA	""
"757911"	"757911"	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(C)c1"	0	NA	NA	1	1	NA	""
"757912"	"757912"	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(OC)c1"	0	NA	NA	1	1	NA	""
"757913"	"757913"	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)c(Cl)c1"	0	NA	NA	2	2	NA	""
"757914"	"757914"	""	"CCCN(CCC)c1ccc(\C=N\NC(=O)c2cccnc2)cc1"	0	NA	NA	1	1	NA	""
"757915"	"757915"	""	"CCCN(CCC)c1ccc(C=O)cc1"	0	NA	NA	2	2	NA	""
"757924"	"757924"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-bromophenyl)-1H-..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(Cl)cc4)ccc1O"	0	NA	NA	2	2	NA	""
"757925"	"757925"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-fluorophenyl)-1H..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(F)cc4)ccc1O"	0	NA	NA	2	1	NA	""
"757926"	"757926"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2,4-dimethylphenyl..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(C)cc4C)ccc1O"	0	NA	NA	2	2	NA	""
"757927"	"757927"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(3-chloro-4-fluorop..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(F)c(Cl)c4)ccc1O"	0	NA	NA	2	2	NA	""
"757929"	"757929"	"3,5-bis(4-hydroxy-3-methoxystyryl)-1H-pyrazole-1-phenyl"	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)c4ccccc4)ccc1O"	0	NA	NA	2	2	NA	""
"757933"	"757933"	"1,3-diphenyl-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-1H..."	"C1[C@H](NN=C1c2ccccc2)c3cn(nc3c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"757946"	"757946"	"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-hydroxy..."	"OCC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	NA	""
"757948"	"757948"	"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-methoxy..."	"COCC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	NA	""
"757949"	"757949"	"(1R,2E,6R,10E,11aS,13S,14aR)-6-(2-(benzyloxy)ethyl)-1,13..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCOCc3ccccc3)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	NA	""
"757981"	"757981"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	NA	""
"757982"	"757982"	""	"CN(C)CCN1C(=O)c2ccc3C(=O)N(CCN=C=S)C(=O)c4ccc(C1=O)c2c34"	0	NA	NA	2	2	NA	""
"757983"	"757983"	""	"COc1ccc(CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCN)C(=O)c5ccc(C2=O)c3c45)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"758005"	"758005"	"Sapitinib"	"CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	NA	"848942610"
"758007"	"758007"	"Tivozanib"	"COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"	0	"PK:YK,MET,PDGFR,FGFR,KIT,VEGFR,FLT3,KDR"	"FDA approved"	4	4	NA	"475108180"
"758025"	"758025"	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)c5OCOc5c4"	0	NA	NA	2	2	NA	""
"758026"	"758026"	""	"COc1ccc2NC3=C(C(c4cc(OC)c5OCOc5c4)c2c1)C(=O)OC3"	0	NA	NA	2	2	NA	""
"758027"	"758027"	""	"COc1ccc(cc1O)C(=O)c2cc(OC)c3OCOc3c2"	0	NA	NA	2	2	NA	""
"758028"	"758028"	""	"COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5cc6CCCc6cc35"	0	NA	NA	2	2	NA	""
"758030"	"758030"	""	"COc1ccc(cc1)c2c(N)onc2c3cc4OCOc4c(OC)c3OC"	0	NA	NA	2	2	NA	""
"758031"	"758031"	""	"COc1ccc(cc1)c2c(N)onc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"758032"	"758032"	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c5OCOc5c4"	0	NA	NA	2	2	NA	""
"758033"	"758033"	""	"COc1ccc(\C=C(/C#N)\c2cc(OC)c3OCOc3c2)cc1"	0	NA	NA	2	2	NA	""
"758119"	"758119"	"(1R,6S,11aS,13S,14aR)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](OC(=O)\C=C\[C@@H](O)[C@@H]2C1)C=C"	0	NA	NA	2	2	NA	""
"758183"	"758183"	"MONENSIN SODIUM"	"CC[C@]1(O)OC([C@@H](C)C[C@H]1C)[C@H]2C[C@H](C)C(O2)[C@]3(CC)CC[C@@H](O3)[C@]4(C)CCC5(C[C@H](O)[C@@H](C)[C@H](O5)[C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O4"	0	""	"FDA approved"	2	2	60148410	"22373780"
"758186"	"758186"	"Azacitidine"	"NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O"	0	"DNMT"	"FDA approved"	1	1	NA	"320672"
"758187"	"758187"	"cycloheximide (usan)"	"C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2"	0	NA	NA	2	1	NA	"66819"
"758188"	"758188"	"azaserin"	"NC(COC(=O)C=[N+]=[N-])C(=O)O"	0	""	""	1	1	830	"115026"
"758230"	"758230"	"Floxuridine"	"OC[C@H]1OC(C[C@H]1O)N2C=C(F)C(=O)NC2=O"	0	"Ds|TYMS"	"FDA approved"	2	2	5702211	"50919"
"758242"	"758242"	"Tivantinib"	"O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56"	0	"PK:YK,MET"	"Clinical trial"	4	2	NA	"1000873982"
"758243"	"758243"	"BMS-754807"	"C[C@]1(CCCN1c2nc(Nc3cc(n[nH]3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	NA	"1001350964"
"758244"	"758244"	"tepotinib"	"CN1CCC(COc2cnc(nc2)c3cccc(CN4N=C(C=CC4=O)c5cccc(c5)C#N)c3)CC1"	0	"PK:YK,MET"	"FDA approved"	3	2	NA	"1100598320"
"758245"	"758245"	"ENMD-2076"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2.O[C@H]([C@@H](O)C(=O)O)C(=O)O"	0	"PK:STK,AURK,KDR"	"Clinical trial"	2	2	NA	"934353761"
"758246"	"758246"	"Trametinib"	"CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	2	2	NA	"871700173"
"758247"	"758247"	"Palbociclib"	"CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O"	0	"PK:STK,CDK,CDK4,CDK6"	"FDA approved"	2	2	NA	"571190302"
"758248"	"758248"	"RO-5126766"	"CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F"	0	"GTPase|PK:STK,YK,BRAF,MAP2K,RAF,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"946128887"
"758249"	"758249"	"Pracinostat"	"CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC"	0	"HDAC"	"Clinical trial"	2	2	NA	"929016966"
"758250"	"758250"	"SNS-314"	"Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"1146618418"
"758251"	"758251"	"Amonafide"	"CN(C)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23"	0	"TOP2"	"Clinical trial"	1	1	NA	"69408817"
"758252"	"758252"	"Carfilzomib"	"CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]4(C)CO4"	0	"PSM"	"FDA approved"	2	2	NA	"868540174"
"758253"	"758253"	"Homoharringtonine"	"COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC"	0	"Apo|Ang|Pi"	"FDA approved"	2	2	NA	"26833874"
"758254"	"758254"	"Ixazomib citrate"	"CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B2OC(=O)CC(CC(=O)O)(O2)C(=O)O"	0	"PSM"	"FDA approved"	2	2	NA	"1201902808"
"758255"	"758255"	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@H](O[C@H]5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	2	2	NA	"29767202"
"758256"	"758256"	"PKI-587"	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2"	0	"PK:STK,PIK3,MTOR"	"Clinical trial"	2	2	NA	"1197160783"
"758257"	"758257"	"LY-2606368"	"COc1cccc(OCCCN)c1c2cc(Nc3cnc(cn3)C#N)n[nH]2"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	3	3	NA	"1234015543"
"758356"	"758356"	"2-(1-(4-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py..."	"Clc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	NA	""
"758357"	"758357"	"2-oxo-N-(pyridin-4-yl)-2-(1-tosyl-1H-indol-3-yl)acetamide"	"Cc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	NA	""
"758359"	"758359"	"N3-[1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl]methyl-2-(..."	"Fc1ccc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)cc1"	0	NA	NA	1	1	NA	""
"758367"	"758367"	"2-(3,5-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-..."	"COc1cc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)cc(OC)c1"	0	NA	NA	1	1	NA	""
"758370"	"758370"	"2-(2,4-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-..."	"COc1ccc(Nc2ncccc2C(=O)NCc3cn(Cc4cccc(Oc5ccccc5)c4)nn3)c(OC)c1"	0	NA	NA	2	2	NA	""
"758376"	"758376"	"2-(1-(2-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py..."	"Fc1ccccc1S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	2	2	NA	""
"758381"	"758381"	"2-(1-(4-bromophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(pyr..."	"Brc1ccc(cc1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	NA	""
"758394"	"758394"	"DEQUALINIUM CHLORIDE"	"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34"	0	""	""	2	2	5351247	"522510"
"758399"	"758399"	"CHLORPROTHIXENE HYDROCHLORIDE"	"CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc13"	0	""	""	1	1	5702223	"113597"
"758401"	"758401"	"CETRIMONIUM BROMIDE"	"CCCCCCCCCCCCCCCC[N+](C)(C)C"	0	NA	NA	2	1	NA	"57090"
"758408"	"758408"	"pararosaniline pamoate"	"Nc1cccc(c1)C(=C2C=CC(=N)C=C2)c3cccc(N)c3"	0	""	""	2	1	5702227	"7232511"
"758423"	"758423"	"M-AMSA"	"COc1cc(NS(=O)(=O)C)ccc1Cc2c3ccccc3nc4ccccc24"	0	"TOP2"	"FDA approved"	2	2	3926765	"51264143"
"758427"	"758427"	"methylbenzethonium chloride (usan)"	"Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C"	0	""	""	1	1	5702238	"1320441"
"758440"	"758440"	"niclosamide (usan)"	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]"	0	NA	NA	2	2	NA	"50657"
"758450"	"758450"	"mitoxantrone hydrochloride (usan)"	"OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12"	0	""	""	2	2	5458171	"70476823"
"758459"	"758459"	"oxibendazole (usan)"	"CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1"	0	""	""	2	2	4622	"20559551"
"758465"	"758465"	"SALINOMYCIN, SODIUM"	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2OC3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	""	""	2	2	60148415	""
"758480"	"758480"	"BENZALKONIUM CHLORIDE"	"CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"	0	""	""	1	1	3014024	"8001545"
"758484"	"758484"	"Ezatiostat"	"CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c2ccccc2"	0	"GSTP1|PK:STK,ROS1"	"Clinical trial"	1	1	NA	"286942970"
"758485"	"758485"	"BX-912"	"Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4"	0	"PK:STK,PDK1"	"Clinical trial"	1	1	NA	"702674564"
"758486"	"758486"	"HPI-1"	"COCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccccc4OC"	0	"SMO|Hg-Smo"	"Clinical trial"	1	1	NA	"599150206"
"758487"	"758487"	"Ponatinib"	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	"BCR-ABL|PK:YK"	"FDA approved"	3	2	NA	"943319708"
"758488"	"758488"	"Lexibulin"	"CCC[C@H](Nc1nc(ncc1C)c2ccc(NC(=O)NCC)c(OC)c2)c3cccnc3"	0	"TUBB|Tu-frag|Tu-stab"	"Clinical trial"	2	2	NA	"917111445"
"758489"	"758489"	"Indibulin"	"Clc1ccc(Cn2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24)cc1"	0	"TUBB|Tu-frag|PK:PTK"	"Clinical trial"	2	2	NA	"204205903"
"758516"	"758516"	""	"Cc1cc(cc(C)c1N)C2=NNC(=O)Cc3cc4OCCOc4cc23"	0	NA	NA	1	1	NA	""
"758519"	"758519"	"1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,nø..."	"CCC[C]12=C3[C-]4C5=C1[Ru+2]23456([N-]C(=NC(=N6)C(F)(F)F)C(F)(F)F)P78CN9CN(CN(C9)C7)C8"	0	NA	NA	1	1	NA	""
"758534"	"758534"	""	"CCN(CC)c1ccc2C(C(=C(N)Oc2c1)C#N)c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"758535"	"758535"	""	"COc1cc(cc2OCOc12)\C(=C\c3ccc4OCOc4c3OC)\C#N"	0	NA	NA	2	2	NA	""
"758538"	"758538"	""	"COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O"	0	NA	NA	1	1	NA	""
"758539"	"758539"	""	"COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c3OCOc3c2)cc4OCOc14"	0	NA	NA	1	1	NA	""
"758540"	"758540"	""	"COc1ccc(cc1O)C(=O)c2cc(OC)c(OC)c(OC)c2OC"	0	NA	NA	1	1	NA	""
"758542"	"758542"	""	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"758545"	"758545"	""	"COc1ccc(cc1)c2cnoc2c3ccc(OC)cc3O"	0	NA	NA	1	1	NA	""
"758546"	"758546"	""	"COc1ccc(cc1)C2=Cc3c(OC)c(OC)c(OC)cc3OC2=O"	0	NA	NA	1	1	NA	""
"758548"	"758548"	""	"COc1ccc(cc1)C2=C(C(=O)CC2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"758551"	"758551"	""	"COc1ccc(cc1)c2c(N)[nH]nc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"758553"	"758553"	""	"COc1ccc(cc1)c2n[nH]c(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	1	1	NA	""
"758554"	"758554"	""	"O=C(Nc1ccc2OCCOc2c1)C(=O)c3c[nH]c4ccccc34"	0	NA	NA	2	2	NA	""
"758556"	"758556"	""	"Fc1ccc2c(c[nH]c2c1)C(=O)C(=O)Nc3ccc4OCOc4c3"	0	NA	NA	1	1	NA	""
"758591"	"758591"	"SGX-523"	"Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2"	0	"PK:YK,MET"	"Clinical trial"	2	2	NA	"1022150577"
"758612"	"758612"	"Bleomycin"	"CC[C@@H]1O[C@H](O[C@H]([C@H](NC(=O)c2nc(nc(N)c2C)[C@H](CC(=O)N)NC[C@@H](N)C(=O)N)C(=O)N[C@H](C)[C@H](O)[C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCCNC(=N)N)c5cnc[nH]5)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](OC(=O)N)[C@@H]6O)[C@H](C)[C@@H]1C"	0	"Db"	"FDA approved"	2	2	60148416	"11056067"
"758617"	"758617"	"atorvastatin calcium (usan)"	"c1(c(n(c(c1c1ccccc1)c1ccc(cc1)F)CC[C@H](C[C@H](CC(=O)O)O)O)C(C)C)C(=O)Nc1ccccc1.[Ca]"	0	""	""	2	2	60148418	"134523038"
"758630"	"758630"	"HOMIDIUM BROMIDE"	"CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14"	0	NA	NA	1	1	NA	"1239458"
"758644"	"758644"	"albendazole (usan)"	"CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1"	0	NA	NA	2	2	NA	"54965218"
"758645"	"758645"	"Paclitaxel"	"CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	2	2	441276	"33069624"
"758662"	"758662"	"Lovastatin"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	"FDA approved"	1	1	NA	"75330755"
"758664"	"758664"	"Rapamycin"	"COC1CC(CC(C)C2CC(=O)C(C)\C=C(/C)\C(O)C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(/C)\C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O"	0	"PK:STK,MTOR"	"FDA approved"	2	2	60148419	"53123889"
"758667"	"758667"	"Teniposide"	"COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6cccs6)c7cc8OCOc8cc27"	0	"TOP2"	"FDA approved"	2	2	6708778	"29767202"
"758670"	"758670"	"TANNIC ACID"	"Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10"	0	""	""	1	1	16134267	"1401554"
"758671"	"758671"	"ANCITABINE HYDROCHLORIDE"	"OC[C@@H]1O[C@H]2[C@H](OC3=NC(=N)C=CN23)[C@H]1O"	0	"Ds"	"FDA approved"	1	1	16667703	"10212256"
"758682"	"758682"	"ARTENIMOL"	"C[C@@H]1CC[C@H]2[C@@H](C)C(O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"	0	""	"FDA approved"	2	2	11832956	"81496813"
"758706"	"758706"	"Simvastatin"	"CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	"AM|NonCan:Chol"	"FDA approved"	2	2	NA	"79902639"
"758772"	"758772"	"MIRA-1"	"CCC(=O)OCN1C(=O)C=CC1=O"	0	NA	NA	1	1	NA	"72835268"
"758773"	"758773"	"Varbulin"	"COc1ccc(cc1)N(C)c2nc(C)nc3ccccc23"	0	"TUBB|Tu-frag"	"Clinical trial"	2	2	NA	"827031834"
"758774"	"758774"	"Belinostat"	"ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc2ccccc2"	0	"HDAC"	"FDA approved"	5	5	NA	"414864009"
"758845"	"758845"	""	"O=C(CNc1ccc2C(=O)c3ccccc3C(=O)c2c1)Nc4ccc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	2	1	NA	""
"758871"	"758871"	"AZD-8055"	"COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	"PK:STK,MTOR"	"Clinical trial"	2	1	NA	"1009298092"
"758872"	"758872"	"Saracatinib"	"CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1"	0	"PK:YK,FYN,LYN,FGFR,SRC,BLK,LCK,YES1"	"Clinical trial"	4	4	NA	"379231046"
"758873"	"758873"	"ABT-737"	"CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(Cc5ccccc5c6ccc(Cl)cc6)CC4"	0	"Apo|BCL2"	"Clinical trial"	2	2	NA	"852808049"
"758881"	"758881"	"orlistat (usan)"	"CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O"	0	""	""	1	1	6710691	"96829582"
"758889"	"758889"	"DIACETAMATE"	"CC(=O)Nc1ccc(OC(=O)C)cc1"	0	NA	NA	3	3	NA	"2623338"
"758896"	"758896"	"Fluvastatin"	"CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13"	0	""	"FDA approved"	2	2	446155	"93957541"
"758905"	"758905"	"mycophenolate mofetil (usan)"	"COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3"	0	NA	NA	2	2	NA	"115007346"
"758932"	"758932"	"ETHACRIDINE LACTATE"	"CCOc1ccc2nc3cc(N)ccc3c(N)c2c1"	0	NA	NA	1	1	NA	"1837576"
"758941"	"758941"	"NONOXYNOL-9"	"CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1"	0	""	""	2	2	72385	"26571119"
"758943"	"758943"	"oxfendazole (usan)"	"COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c3ccccc3"	0	""	""	1	1	40854	"53716500"
"758963"	"758963"	"Carmofur"	"CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O"	0	""	""	1	1	2577	"61422455"
"758965"	"758965"	"CEPHARANTHINE"	"COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c57)cc34"	0	NA	NA	1	1	NA	"481492"
"758968"	"758968"	"MILTEFOSINE"	"CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C"	0	NA	NA	1	1	NA	"58066856"
"759004"	"759004"	""	"CC(=O)N1N=C(CC1c2ccc(Cl)cc2)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	NA	""
"759006"	"759006"	""	"Clc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	NA	""
"759016"	"759016"	""	"COc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	NA	""
"759017"	"759017"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	NA	""
"759018"	"759018"	""	"Cc1ccc(cc1)C2CC(=NN2C=O)c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3"	0	NA	NA	1	1	NA	""
"759025"	"759025"	""	"CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1"	0	NA	NA	2	2	NA	""
"759061"	"759061"	"mab631"	""	0	NA	NA	2	2	NA	""
"759094"	"759094"	"ENMD-2076 Precursor"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(n2)C#Cc4ccccc4"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"934353750"
"759095"	"759095"	"JNJ-38877605"	"Cn1cc(cn1)c2ccc3nnc(n3n2)C(F)(F)c4ccc5ncccc5c4"	0	"PK:YK,MET"	"Clinical trial"	2	2	NA	""
"759096"	"759096"	"Triapine"	"NC(=S)N\N=C\c1ncccc1N"	0	"Dr|CC"	"Clinical trial"	1	1	NA	""
"759135"	"759135"	"METHYLENE BLUE"	"CN(C)c1ccc2nc3ccc(cc3[s+]c2c1)N(C)C"	0	""	""	2	2	6099	"7220793"
"759155"	"759155"	"Doxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2	2	6916127	"23214928"
"759174"	"759174"	"Vincristine"	"CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	9832825	"2068782"
"759178"	"759178"	"Pipamperone"	"NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3"	0	"NonCan:Psy"	"FDA approved"	2	2	4830	"1893330"
"759195"	"759195"	"Epirubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	"TOP2"	"FDA approved"	2	2	65348	"56390091"
"759216"	"759216"	"(3-(4-bromophenyl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-4,5-..."	"COc1ccc(cc1)C(=O)N2N=C(CC2c3cn(nc3c4ccccc4)c5ccccc5)c6ccc(Br)cc6"	0	NA	NA	1	1	NA	""
"759224"	"759224"	"Idelalisib"	"CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5"	0	"PK:PIK3"	"FDA approved"	1	1	NA	"870281826"
"759228"	"759228"	"IDEBENONE"	"COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO"	0	""	"FDA approved"	1	1	3686	"58186279"
"759261"	"759261"	"Nifuroxazide"	"Oc1ccc(cc1)C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]"	0	""	""	1	1	5337997	"965526"
"759263"	"759263"	"Topotecan"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O"	0	"TOP1"	"FDA approved"	2	2	60699	"119413546"
"759274"	"759274"	"ARSENIC TRIOXIDE"	"O1[As]2O[As]3O[As](O[As]1O3)O2"	0	"Apo"	"FDA approved"	2	2	518605	"1327533"
"759283"	"759283"	"Clofazimine"	"CC(C)\N=C\1/C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5"	0	NA	NA	1	1	NA	"2030639"
"759322"	"759322"	"MEVASTATIN"	"CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)C(CCC3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	""	""	1	1	5702286	"73573883"
"759498"	"759498"	"CYC-116"	"Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	"PK:STK,AURK"	"Clinical trial"	1	1	NA	"693228636"
"759591"	"759591"	"podofilox (usan)"	"COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	2	2	NA	"518285"
"759612"	"759612"	"hydroxyprogesterone caproate (usan)"	"CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C"	0	""	""	2	1	5702072	"630568"
"759614"	"759614"	"6-Mercaptopurine"	"S=C1NC=Nc2nc[nH]c12"	0	"Ds|PPAT"	"FDA approved"	1	1	NA	"6112761"
"759630"	"759630"	"LANATOSIDE C"	"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5"	0	""	""	2	1	5702228	"17575223"
"759657"	"759657"	"Quisinostat"	"Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=O)NO)c4ccccc14"	0	"HDAC"	"Clinical trial"	3	3	NA	"875320299"
"759658"	"759658"	"6-(4-pyrimidinyl)-1H-indazole derivative"	"CNc1nc(cc(n1)c2ccc3c(N)n[nH]c3c2)N4C[C@H](CC[C@H]4C)C(=O)NC5CCCCC5"	0	"PK:STK,PDK1"	"Clinical trial"	1	1	NA	"1227911456"
"759659"	"759659"	"Navitoclax"	"CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)S(=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7"	0	"Apo|BCL2"	"Clinical trial"	2	2	NA	"923564516"
"759660"	"759660"	"OSI-027"	"COc1cccc2cc([nH]c12)c3nc(C4CCC(CC4)C(=O)O)n5ncnc(N)c35"	0	"PK:STK,MTOR"	"Clinical trial"	2	2	NA	"1187559665"
"759661"	"759661"	"Dovitinib"	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O"	0	"PK:YK,MET,PDGFR,EGFR,FGFR,KIT,VEGFR,FGFR1,FGFR3,FLT3"	"Clinical trial"	2	2	NA	""
"759675"	"759675"	"KW-2449"	"O=C(N1CCNCC1)c2ccc(\C=C\c3n[nH]c4ccccc34)cc2"	0	"BCR-ABL|PK:STK,AURK,FLT,FLT3"	"Clinical trial"	1	1	NA	"1000669726"
"759676"	"759676"	"PI-103"	"Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"371935749"
"759677"	"759677"	"Alisertib"	"COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(=O)O)c(OC)c4)nc3c5ccc(Cl)cc25"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"1028486012"
"759762"	"759762"	""	"COc1cc(NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"759817"	"759817"	"artesunate"	"C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"	0	""	"FDA approved"	2	2	9821433	"182824335"
"759821"	"759821"	"thiostrepton (usan)"	"CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)\C(=C/C)\NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O"	0	""	""	1	1	16129666	"1393482"
"759822"	"759822"	"CLIOQUINOL"	"Oc1c(I)cc(Cl)c2cccnc12"	0	NA	NA	1	1	NA	"130267"
"759850"	"759850"	"Docetaxel"	"CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C"	0	"TUBB|Tu-stab"	"FDA approved"	2	2	9877265	"148408666"
"759852"	"759852"	"Vorinostat"	"ONC(=O)CCCCCCC(=O)Nc1ccccc1"	0	"HDAC"	"FDA approved"	2	1	NA	"149647789"
"759856"	"759856"	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	"PK:YK,EGFR"	"FDA approved"	2	2	NA	"184475352"
"759857"	"759857"	"Clofarabine"	"Nc1nc(Cl)nc2c1ncn2C3O[C@H](CO)[C@@H](O)[C@@H]3F"	0	"Ds"	"FDA approved"	2	2	60148441	"123318821"
"759877"	"759877"	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	"BCR-ABL|PK:YK,PDGFR,KIT"	"FDA approved"	2	2	NA	"863127779"
"759878"	"759878"	"Irinotecan"	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4"	0	"TOP1"	"FDA approved"	2	2	NA	"136572093"
"759882"	"759882"	"nocodazole"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3"	0	"Tu-stab"	""	2	2	NA	"31430189"
"759894"	"759894"	"piroctone olamine (usan)"	"CC(N)O.CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C"	0	""	""	2	2	51371311	"68890664"
"759905"	"759905"	"4SC-202"	"Cc1ccc(cc1)S(=O)(=O)O.Cn2cc(cn2)c3ccc(cc3)S(=O)(=O)n4ccc(\C=C\C(=O)Nc5ccccc5N)c4"	0	"HDAC"	"Clinical trial"	2	2	NA	""
"760014"	"760014"	"(E)-3-(3,4-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p..."	"COc1ccc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)cc1OC"	0	NA	NA	1	1	NA	""
"760015"	"760015"	"E)-1-(4-(quinazolin-4-ylamino)phenyl)-3-(2,4,6-trimethox..."	"COc1cc(OC)c(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c(OC)c1"	0	NA	NA	2	2	NA	""
"760016"	"760016"	"(E)-3-(3,5-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p..."	"COc1cc(OC)cc(\C=C\C(=O)c2ccc(Nc3ncnc4ccccc34)cc2)c1"	0	NA	NA	1	1	NA	""
"760057"	"760057"	"nitazoxanide"	"CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]"	0	""	"FDA approved"	2	2	NA	"55981094"
"760087"	"760087"	"VINORELBINE"	"CCC1=CC2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC"	0	"TUBB|Tu-frag"	"FDA approved"	2	2	60780	"71486221"
"760091"	"760091"	"mepartricin (usan)"	"CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2C)O3)C(=O)OC"	0	""	""	1	1	9941647	"11121327"
"760143"	"760143"	"Mocetinostat"	"Nc1ccccc1NC(=O)c2ccc(CNc3nccc(n3)c4cccnc4)cc2"	0	"HDAC"	"Clinical trial"	2	2	NA	"726169739"
"760144"	"760144"	"AT-9283"	"O=C(NC1CC1)Nc2c[nH]nc2c3nc4cc(CN5CCOCC5)ccc4[nH]3"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"896466049"
"760180"	"760180"	"9-benzyl-7-benzyloxy-2-benzyl-1-methyl-9H-carbolinium br..."	"Cc1c2c(cc[n+]1Cc3ccccc3)c4ccc(OCc5ccccc5)cc4n2Cc6ccccc6"	0	NA	NA	2	2	NA	""
"760181"	"760181"	"9-(3-fluorobenzyl)-7-(3-fluorobenzyloxy)-2-(4-fluorobenz..."	"Cc1c2c(cc[n+]1Cc3ccc(F)cc3)c4ccc(OCc5cccc(F)c5)cc4n2Cc6cccc(F)c6"	0	NA	NA	2	2	NA	""
"760182"	"760182"	"9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl..."	"Cc1c2c(cc[n+]1Cc3ccccc3)c4ccc(OCC5CCCCC5)cc4n2CC6CCCCC6"	0	NA	NA	2	1	NA	""
"760183"	"760183"	"(+)-JQ1"	"Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C"	0	"BRD"	"Clinical trial"	2	2	NA	"1268524704"
"760200"	"760200"	""	"Clc1ccc2Oc3cc(Oc4ccccc4)ccc3C(=O)Nc2c1"	0	NA	NA	1	1	NA	""
"760216"	"760216"	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCCOc4c3)nn2)c5cccnc5"	0	NA	NA	2	2	NA	""
"760217"	"760217"	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCCOc4c3)nn2)c5ccncc5"	0	NA	NA	2	2	NA	""
"760220"	"760220"	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)cc(OC)c4"	0	NA	NA	2	2	NA	""
"760222"	"760222"	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	NA	""
"760223"	"760223"	""	"O=C1OCC2=C1C(c3ccccc3)c4cc5OCOc5cc4N2"	0	NA	NA	2	2	NA	""
"760224"	"760224"	""	"COc1cc(cc2OCOc12)C3C4=C(COC4=O)Nc5c6CCCCc6ccc35"	0	NA	NA	2	2	NA	""
"760263"	"760263"	"6-(3,4-dimethoxylbenzyl)-8-(3,4,5-trimethoxyphenyl)l-5,6..."	"COc1ccc(Cn2nc(c3cc(OC)c(OC)c(OC)c3)c4c2CCc5cnoc45)cc1OC"	0	NA	NA	1	1	NA	""
"760286"	"760286"	"3-methoxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)..."	"COc1ccc2c(NC(=N)c3c4cc(OC)c(OC)cc4cn23)c1"	0	NA	NA	2	2	NA	""
"760289"	"760289"	"3-hydroxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)..."	"COc1cc2cn3c(C(=N)Nc4cc(O)ccc34)c2cc1OC"	0	NA	NA	2	2	NA	""
"760292"	"760292"	"8,9-dimethyl-pyrido[2,3-e]isoindolo[1,2-a]pyrazin-6(5H)one"	"Cc1cc2cn3c(C(=O)Nc4ncccc34)c2cc1C"	0	NA	NA	1	1	NA	""
"760313"	"760313"	"3-[2-(7-azaindol-3-yl)-1,3-thiazol-4-yl)-5-bromo-1-methy..."	"Cn1cc(c2csc(n2)c3c[nH]c4ncccc34)c5cc(Br)cnc15"	0	NA	NA	1	1	NA	""
"760359"	"760359"	"thonzide"	"CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2"	0	NA	NA	1	1	NA	"553082"
"760419"	"760419"	"Fenretinide"	"C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C"	0	"Ds"	"Clinical trial"	2	2	NA	"65646686"
"760421"	"760421"	"TOLONIUM CHLORIDE"	"CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1"	0	NA	NA	2	2	NA	"92319"
"760423"	"760423"	"PITAVASTATIN CALCIUM"	"[Ca+2].O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O"	0	""	""	1	1	9955951	"147511691"
"760442"	"760442"	"Daporinad"	"O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	"NAMPT|PK:YK"	"Clinical trial"	2	2	NA	""
"760443"	"760443"	"Copanlisib"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	"PK:PIK3"	"FDA approved"	2	2	NA	""
"760444"	"760444"	"Tipifarnib"	"CN1C(=O)C=C(c2cccc(Cl)c2)c3cc(ccc13)[C@](N)(c4ccc(Cl)cc4)c5cncn5C"	0	"FT|PK:YK"	"Clinical trial"	2	2	NA	"192185721"
"760474"	"760474"	"2k2s,s?"	"C\C(=C/C=C/C(=C/C=N/N=C\1/N\C(=N\N=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)\[SH-][Cu+2](O)[SH-]1)/C)\C=C\C3=C(C)CCCC3(C)C.NCCCNCCCCNCCCN"	0	NA	NA	1	1	NA	""
"760476"	"760476"	"5,6,7,8-tetrafluoronaphtho[2,3-c][1,2,5]thiadiazole-4,9-..."	"Fc1c(F)c(F)c2C(=O)c3nsnc3C(=O)c2c1F"	0	NA	NA	2	2	NA	""
"760536"	"760536"	"PF-04691502"	"COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	""
"760764"	"760764"	"Voreloxin"	"CN[C@H]1CN(C[C@@H]1OC)c2ccc3C(=O)C(=CN(c4nccs4)c3n2)C(=O)O"	0	"TOP2"	"FDA approved"	2	2	NA	""
"760765"	"760765"	"BMS-690514"	"COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1"	0	"PK:YK,EGFR,ERBB2,VEGFR"	"Clinical trial"	2	2	NA	"859853308"
"760766"	"760766"	"Vandetanib"	"COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4"	0	"PK:STK,YK,PDGFR,EGFR,VEGFR,RET"	"FDA approved"	1	1	NA	"443913733"
"760841"	"760841"	"Tandutinib"	"COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5"	0	"PK:YK,PDGFR,FLT,KIT,FLT3"	"Clinical trial"	1	1	NA	"387867132"
"760843"	"760843"	"Motesanib"	"CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12"	0	"PK:YK,PDGFR,KIT,VEGFR,KDR,RET"	"Clinical trial"	1	1	NA	""
"760950"	"760950"	""	"C(Nc1ccccc1c2oc(Nc3ccc4OCOc4c3)nn2)c5cccnc5"	0	NA	NA	2	2	NA	""
"760951"	"760951"	""	"COc1cc(cc2OCOc12)C3C(=C(N)Oc4cc5OCOc5cc34)C#N"	0	NA	NA	2	2	NA	""
"760952"	"760952"	""	"COc1cccc(c1)C2C(=C(N)Oc3cc4OCOc4cc23)C#N"	0	NA	NA	2	2	NA	""
"760953"	"760953"	""	"NC1=C(C#N)C(c2cccs2)c3cc4OCOc4cc3O1"	0	NA	NA	2	2	NA	""
"760955"	"760955"	""	"COc1ccc(cc1)c2c(N)noc2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	NA	""
"760956"	"760956"	""	"COc1ccc2C(C3=C(COC3=O)Oc2c1)c4cc(OC)c5OCCOc5c4"	0	NA	NA	2	2	NA	""
"760958"	"760958"	""	"COc1ccc(cc1)C2NC(=O)c3cc4OCOc4cc3N2"	0	NA	NA	1	1	NA	""
"760968"	"760968"	""	"COc1ccc(cc1)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	2	2	NA	""
"760978"	"760978"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	NA	""
"760979"	"760979"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	NA	""
"760980"	"760980"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCOCCCCOCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	1	NA	""
"761039"	"761039"	""	"Nc1ccc(cc1Cl)C2=NNC(=O)Cc3cc4OCCOc4cc23"	0	NA	NA	1	1	NA	""
"761068"	"761068"	"Cabozantinib"	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC"	0	"PK:YK,MET,AXL,KIT,VEGFR,FLT3,RET"	"FDA approved"	2	2	NA	"849217681"
"761069"	"761069"	"AMG-900"	"Cc1csc(c1)c2nnc(Nc3ccc(Oc4ncccc4c5ccnc(N)n5)cc3)c6ccccc26"	0	"PK:STK,AURK"	"Clinical trial"	1	1	NA	""
"761070"	"761070"	"VE-821"	"CS(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3"	0	"PK:STK,ATR"	"Clinical trial"	1	1	NA	"1232410499"
"761083"	"761083"	""	"CSc1ccc(\C=C\2/C=C(CC(=O)NCc3ccc(cc3)C(=O)c4ccccc4)c5cc(F)ccc25)cc1"	0	NA	NA	2	2	NA	""
"761116"	"761116"	"(E)-3-((2-phenylimidazo[1,2-a]pyridin-3-yl)methylene)ind..."	"O=C1Nc2ccccc2/C/1=C\c3c(nc4ccccn34)c5ccccc5"	0	NA	NA	1	1	NA	""
"761130"	"761130"	"(E)-6-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin..."	"Fc1ccc(cc1)c2nc3ccccn3c2\C=C/4\C(=O)Nc5cc(Cl)ccc45"	0	NA	NA	2	1	NA	""
"761137"	"761137"	"N1-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"761138"	"761138"	"N1-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"761139"	"761139"	"N1-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl..."	"COc1ccc(\C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)\C=C\c3ccc(F)cc3"	0	NA	NA	2	2	NA	""
"761141"	"761141"	"N1-2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-eth..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)c1OC"	0	NA	NA	1	1	NA	""
"761142"	"761142"	"N1-2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-eth..."	"COc1ccc(\C=C\C(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC)cc1OC"	0	NA	NA	1	1	NA	""
"761150"	"761150"	"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-(naphth..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3cccc4ccccc34)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	NA	""
"761152"	"761152"	"(1R,2E,6R,10E,11aS,13S,14aR)-6-acetyl-1,13-dihydroxy-6,7..."	"CC(=O)[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	2	2	NA	""
"761154"	"761154"	"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(hydroxyme..."	"OC[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1"	0	NA	NA	1	1	NA	""
"761156"	"761156"	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)CCl)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	NA	""
"761184"	"761184"	""	"CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)\C=C\c2cccc(Cl)c2"	0	NA	NA	1	1	NA	""
"761188"	"761188"	"Rabusertib"	"Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	2	2	NA	"911222452"
"761189"	"761189"	"Teglarinad"	"COCCOCCOCCOCCOC(=O)OC[n+]1ccc(N\C(=N\C#N)\NCCCCCCOc2ccc(Cl)cc2)cc1"	0	"Apo|NAMPT"	"Clinical trial"	2	2	NA	""
"761190"	"761190"	"Panobinostat"	"Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3"	0	"HDAC"	"FDA approved"	2	2	NA	"404950807"
"761191"	"761191"	"brigatinib"	"COc1cc(OCCCN2CCCC2)ccc1Nc3ncc(Cl)c(Nc4ccccc4P(=O)(C)C)n3"	0	"PK:YK,IGF1R,ALK,EGFR"	"FDA approved"	2	2	NA	"1197958363"
"761192"	"761192"	"Pevonedistat"	"NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n2ccc3c(NC4CCc5ccccc45)ncnc23"	0	"NFkB|NEDD8"	"Clinical trial"	2	2	NA	"905579513"
"761193"	"761193"	"Silmitasertib"	"OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24"	0	"CK2|PK:STK"	"Clinical trial"	2	2	NA	"1009820216"
"761194"	"761194"	"CUDC-305"	"CN(C)c1cc2OCOc2cc1Sc3nc4c(N)nccc4n3CCNCC(C)(C)C"	0	"HSP90"	"Clinical trial"	2	2	NA	"1061318817"
"761215"	"761215"	"TAK-733"	"CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[C@@H](O)CO)C3=O)F"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"1035555635"
"761217"	"761217"	"Avagacestat"	"NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)S(=O)(=O)c3ccc(Cl)cc3"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	1	1	NA	"1146699662"
"761219"	"761219"	""	"CCCN(CCC)c1ccc(CO)c(Cl)c1"	0	NA	NA	2	2	NA	""
"761220"	"761220"	""	"CCCN(CCC)c1ccc(CO)c(C)c1"	0	NA	NA	1	1	NA	""
"761264"	"761264"	"mab347"	""	0	NA	NA	1	1	NA	""
"761340"	"761340"	""	"CC1=NN(C(=O)/C/1=C\c2c[nH]c3ccc(Br)cc23)c4cccc(Cl)c4"	0	NA	NA	1	1	NA	""
"761385"	"761385"	"Sonidegib"	"C[C@@H]1CN(C[C@H](C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2"	0	"SMO|Hg-Smo"	"FDA approved"	1	1	NA	"956697533"
"761386"	"761386"	"Sonidegib"	"C[C@@H]1CN(C[C@H](C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2"	0	"SMO|Hg-Smo"	"FDA approved"	1	1	NA	"1218778778"
"761387"	"761387"	"CCT-128930"	"NC1(Cc2ccc(Cl)cc2)CCN(CC1)c3ncnc4[nH]ccc34"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	1	1	NA	"885499616"
"761390"	"761390"	"By-Product of CUDC-305"	"CC(C)(C)CN1CCn2c(S1)nc3c(N)nccc23"	0	"HSP90"	"Clinical trial"	1	1	NA	""
"761393"	"761393"	"(Z)-N-phenyl-3-(3,4,5-trimethoxystyryl)pyridin-2-amine"	"COc1cc(\C=C/c2cccnc2Nc3ccccc3)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"761400"	"761400"	"(E)-1-(4-methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamin..."	"COc1ccc(cc1)C(=O)\C=C\c2cccnc2Nc3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"761407"	"761407"	"N1-4-[(10-oxo-9,10-dihydro-9-anthracenyliden)methyl]phen..."	"FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc(C=C3c4ccccc4C(=O)c5ccccc35)cc2)cc1"	0	NA	NA	1	1	NA	""
"761409"	"761409"	"N1-(1,3-benzothiazol-6-yl)-2-(4-(2-(1,3-dioxo-2,3-dihydr..."	"O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)Nc5ccc6ncsc6c5"	0	NA	NA	1	1	NA	""
"761431"	"761431"	"Vemurafenib"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F"	0	"PK:YK,BRAF"	"FDA approved"	3	3	42611257	"1029872545"
"761526"	"761526"	""	"CCCCCCCCCCCCNC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\CCNC(=O)\C=C\[C@H](C)NC1=O"	0	NA	NA	3	3	NA	""
"761527"	"761527"	""	"CCCCCCCCCCCCNC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1\C=C\OCCNC(=O)\C=C\[C@@H](NC1=O)C(C)C"	0	NA	NA	2	2	NA	""
"761545"	"761545"	""	"CC(C)(C)c1nn(c2NC(SCC(=O)c12)c3ccccc3Cl)c4ccccc4"	0	NA	NA	1	1	NA	""
"761549"	"761549"	""	"COc1cc(CN(C2OC(=O)c3ccccc23)c4ccc(C)cc4)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"761560"	"761560"	"N-(3-(1H-imidazol-1-yl)propyl)-4-(1-(3,5,5,8,8-pentameth..."	"Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)NCCCn4ccnc4)C(C)(C)CCC2(C)C"	0	NA	NA	2	2	NA	""
"761582"	"761582"	"cyclopropane vinblastine"	"CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	3	3	NA	""
"761584"	"761584"	""	"CC1(C)CN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S(=O)(=O)N1"	0	NA	NA	2	2	NA	""
"761586"	"761586"	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCN5CCCNS5(=O)=O)n4"	0	NA	NA	3	3	NA	""
"761592"	"761592"	""	"CN1CCCN(CCNc2nccc(n2)c3c(nc4sccn34)c5cccc(O)c5)S1(=O)=O"	0	NA	NA	3	3	NA	""
"761618"	"761618"	""	"CC(C)(C)N1=[O-][Ir+3](C=O)([c-]2cc(Cl)ccc2C=1)(P(c3ccccc3)(c4ccccc4)c5ccccc5)P(c6ccccc6)(c7ccccc7)c8ccccc8.F[Sb](F)(F)(F)(F)[F-]"	0	NA	NA	1	1	NA	""
"761634"	"761634"	"n-(4- chlorophenyl)-5-nitro-2-furamide"	"[O-][N+](=O)c1oc(cc1)C(=O)Nc2ccc(Cl)cc2"	0	NA	NA	2	2	NA	"109844920"
"761676"	"761676"	""	"Clc1ccccc1c2nnc3c(Cc4ccccc4)nc5ccccc5n23"	0	NA	NA	2	2	NA	""
"761691"	"761691"	"SCH-1473759"	"CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)c4cn[nH]c4)sn1)C(C)(C)CO"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"1094069994"
"761692"	"761692"	"MK-8033"	"Cn1cc(cn1)c2cnc3C=Cc4ccc(CS(=O)(=O)NCc5ccccn5)cc4C(=O)c3c2"	0	"PK:YK,MET"	"Clinical trial"	1	1	NA	""
"761693"	"761693"	"Vertex ATR inhibitor Cpd 45"	"CC(CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3ccccc3"	0	"PK:STK,ATR"	"Clinical trial"	1	1	NA	"1286238558"
"761736"	"761736"	"4-(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)ethyl)-2-(4-chlo..."	"CC1=CC(=O)Oc2cc(OCCN3C(=NN(C3=O)c4ccc(Cl)cc4)C)ccc12"	0	NA	NA	1	1	NA	""
"761759"	"761759"	"TAK-960 analog"	"COc1cc(ccc1Nc2ncc3N(C)C(=O)C(C)(C)CN(C4CCCC4)c3n2)C(=O)N[C@@H]5CCCN(C)C5"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	NA	""
"761760"	"761760"	"BMS-536924"	"Cc1cc(cc2[nH]c(nc12)C3=C(NC[C@@H](O)c4cccc(Cl)c4)C=CNC3=O)N5CCOCC5"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	NA	"468740434"
"761768"	"761768"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCNCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	1	1	NA	""
"761769"	"761769"	""	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	NA	""
"761814"	"761814"	"3-(4-(5-methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,..."	"COc1ccc2[nH]c(nc2c1)c3ccc(cc3)c4noc(n4)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	NA	""
"761816"	"761816"	"(Z)-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	2	2	NA	""
"761817"	"761817"	"(Z)-5-methoxy-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6cc(OC)c(OC)c(OC)c6)\c2c1"	0	NA	NA	1	1	NA	""
"761819"	"761819"	"(Z)-5-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761820"	"761820"	"(Z)-3-((1-(4-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]in..."	"FC(F)(F)c1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761821"	"761821"	""	"Fc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	2	2	NA	""
"761822"	"761822"	"(Z)-3-((1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl)me..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6ccc(F)cc6)\c2c1"	0	NA	NA	1	1	NA	""
"761824"	"761824"	"(Z)-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl)m..."	"COc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761826"	"761826"	"(Z)-3-((1-(4-fluoro-3-methoxyphenyl)-9H-pyrido[3,4-b]ind..."	"COc1cc(ccc1F)c2nc(\C=C\3/C(=O)Nc4ccccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761832"	"761832"	"(Z)-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-..."	"COc1ccc2NC(=O)\C(=C/c3cc4c5ccccc5[nH]c4c(n3)c6cc(OC)cc(OC)c6)\c2c1"	0	NA	NA	1	1	NA	""
"761834"	"761834"	"(Z)-5-chloro-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b..."	"COc1cc(OC)cc(c1)c2nc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761840"	"761840"	"(Z)-5-methoxy-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]in..."	"COc1ccc(cc1)c2nc(\C=C\3/C(=O)Nc4ccc(OC)cc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761849"	"761849"	"(Z)-6-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,..."	"COc1cc(cc(OC)c1OC)c2nc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)cc5c6ccccc6[nH]c25"	0	NA	NA	1	1	NA	""
"761879"	"761879"	"ITRI-260"	"CN1CCN(CC1)c2ccc3[nH]c(nc3c2)C4=C5C=CC=CC=C5NC4=O"	0	"PK:YK,FLT,FLT3"	"Clinical trial"	1	1	NA	"1253836177"
"761906"	"761906"	"17E-(4-(Bis(2-chloroethyl)amino)benzoyloxyimino)-5-andro..."	"CC(=O)O[C@H]1CCC2(C)C3CCC4(C)C(CC/C/4=N\OC(=O)c5ccc(cc5)N(CCCl)CCCl)C3CC=C2C1"	0	NA	NA	2	2	NA	""
"761910"	"761910"	"Ibrutinib"	"Nc1ncnc2c1c(nn2C3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4"	0	"PK:YK,BTK"	"FDA approved"	3	3	NA	"936563961"
"761931"	"761931"	"KHK-Indazole"	"O=C(Nc1ccccc1\C=C\c2n[nH]c3ccccc23)c4ccccc4"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	NA	""
"761942"	"761942"	"4-(3-(benzo[d]oxazol-2-yl)-1H-indol-2-yl) phenol"	"Oc1ccc(cc1)c2[nH]c3ccccc3c2c4oc5ccccc5n4"	0	NA	NA	2	1	NA	""
"761980"	"761980"	""	"Nc1cc(Br)c(c(Br)c1)c2oc(CCC(=O)c3nc4ccccc4[nH]3)nn2"	0	NA	NA	1	1	NA	""
"761982"	"761982"	""	"CC1=CNC(=O)N(Cc2oc(CCC(=O)c3nc4ccccc4[nH]3)nn2)C1=O"	0	NA	NA	2	2	NA	""
"761997"	"761997"	""	"COc1cc(cc(CN2CCCCC2)c1O)c3oc4ccccc4n3"	0	NA	NA	2	2	NA	""
"762008"	"762008"	"Copper(II) complex with a thiosemicarbazone as a ligand"	"[Cl-].CCNC1=S[Cu+2]2([ClH-])[N+](=C(C)c3scc[n+]23)N1"	0	NA	NA	2	1	NA	""
"762009"	"762009"	"Copper(II) complex with quin as a ligand"	"[ClH-][Cu+2]1([ClH-])[n+]2c(C=C3C(=O)C4CC[N+]13CC4)ccc5ccccc25"	0	NA	NA	1	1	NA	""
"762073"	"762073"	""	"CCOc1ccc(cc1)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	2	2	NA	""
"762148"	"762148"	"N-(4-{2-[(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-4-oxo-1,6,..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3ccc(NC(=S)Nc4ccc5c(c4)C(=O)OC56c7ccc(O)cc7Oc8cc(O)ccc68)cc3)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	2	NA	""
"762149"	"762149"	"N-(4-{2-[(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-4-oxo-1,6,..."	"CC(=O)Nc1ccc(CC[C@H]2CCC\C=C\[C@@H]3C[C@H](O)C[C@H]3[C@H](O)\C=C\C(=O)O2)cc1"	0	NA	NA	2	2	NA	""
"762150"	"762150"	"(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-6-{2-[4-(trifluorom..."	"O[C@H]1C[C@H]2\C=C\CCC[C@H](CCc3ccc(cc3)C(F)(F)F)OC(=O)\C=C\[C@@H](O)[C@@H]2C1"	0	NA	NA	2	1	NA	""
"762151"	"762151"	"TAK-901"	"CCS(=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24"	0	"PK:STK,AURK"	"Clinical trial"	2	2	NA	"934541318"
"762152"	"762152"	"ONX-0914"	"COc1ccc(CC(NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)[C@@]4(C)CO4)cc1"	0	"PSM"	"Clinical trial"	2	2	NA	""
"762153"	"762153"	"ST-3595"	"COc1ccc(cc1)c2ccc(\C=C\C(=O)NO)cc2"	0	"HDAC"	"Clinical trial"	2	2	NA	""
"762154"	"762154"	"Des-fluoro-TAK-960"	"COc1cc(ccc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	NA	""
"762346"	"762346"	""	"Fc1ccccc1\C=C\2/CNC\C(=C/c3ccccc3F)\C2=O"	0	NA	NA	2	1	NA	""
"762367"	"762367"	"2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxy..."	"COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2"	0	NA	NA	2	2	NA	""
"762382"	"762382"	"CH-5132799"	"CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	""
"762418"	"762418"	"TAK Plk inhibitor"	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C6CCN(CC7CC7)CC6)ncc3n8cnc(C#N)c18"	0	"PK:STK,PLK1"	"Clinical trial"	2	2	NA	""
"762419"	"762419"	"CT-32228"	"Cc1ccc(Cl)cc1c2nc(N)nc(Nc3ccc(Br)cc3)n2"	0	"AGPAT2|PK:YK,VEGFR"	"Clinical trial"	2	2	NA	"521064346"
"762445"	"762445"	"(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triaz..."	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)N3CC(F)(F)C3)n2"	0	NA	NA	2	2	NA	""
"762458"	"762458"	""	"O=C1C(c2cccnc2)c3cccc4c3c(cn4Cc5ccccc5)c6ccccc16"	0	NA	NA	1	1	NA	""
"762463"	"762463"	""	"COc1c(O)c2CCN(C3Cc4ccccc4c(c1OC)c23)S(=O)(=O)c5ccc(C)cc5"	0	NA	NA	1	1	NA	""
"762464"	"762464"	""	"Cc1ccc(cc1)S(=O)(=O)N2CCc3ccc(O)c4c3C2Cc5ccc6OCOc6c45"	0	NA	NA	2	2	NA	""
"762465"	"762465"	""	"Cc1ccc(cc1)S(=O)(=O)N2CCc3ccc(O)c4c5ccc(Cl)cc5CC2c34"	0	NA	NA	2	2	NA	""
"762521"	"762521"	"RO-4987655"	"OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc3ccc(I)cc3F"	0	"PK:STK,MAP2K"	"Clinical trial"	2	2	NA	"874101005"
"762539"	"762539"	""	"Clc1ccc(cc1)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	NA	""
"762540"	"762540"	""	"Clc1ccc2c(Nc3cccc(c3)C4=NN(C=O)C(C4)c5ccccc5)ccnc2c1"	0	NA	NA	2	2	NA	""
"762541"	"762541"	""	"COc1ccc(cc1)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	2	2	NA	""
"762542"	"762542"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2C=O)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	2	2	NA	""
"762545"	"762545"	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C(=O)C)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"762555"	"762555"	""	"COc1ccc(cc1)C2=NN(C(C2)c3ccc(Oc4ccnc5cc(Cl)ccc45)c(OC)c3)C(=O)C"	0	NA	NA	1	1	NA	""
"762557"	"762557"	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C(=O)C)c5ccc(C)cc5"	0	NA	NA	1	1	NA	""
"762559"	"762559"	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"762564"	"762564"	""	"COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc3nc4N(C)C(=O)N(C)C(=O)c4n3C"	0	NA	NA	1	1	NA	""
"762566"	"762566"	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)C4CC(=NN4C=O)c5ccc(C)cc5"	0	NA	NA	1	1	NA	""
"762583"	"762583"	""	"CN(C)c1nc(c2cccs2)n3nc(cc3n1)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"762610"	"762610"	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)NC(=O)CCl)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	NA	""
"762611"	"762611"	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)NC(=O)CI)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	2	2	NA	""
"762673"	"762673"	"SB-1317"	"CN1C\C=C\CCOc2cccc(c2)c3ccnc(Nc4cccc(C1)c4)n3"	0	"PK:STK,CDK,ERK,FLT,JAK,FLT3"	"Clinical trial"	2	1	NA	"1204918728"
"762696"	"762696"	""	"CN1C(=O)C=C2c3ccccc3C(=O)c4c(NCCCO)ccc1c24"	0	NA	NA	1	1	NA	""
"762756"	"762756"	""	"Cc1nn(c2ccccc2)c3ncc4C(=O)N(Cc5ccccc5)C(=O)c4c13"	0	NA	NA	1	1	NA	""
"762763"	"762763"	""	"Cc1nn(c2ccc(Cl)cc2)c3nc4c5ccccc5C(=O)C(=O)c4nc13"	0	NA	NA	1	1	NA	""
"762795"	"762795"	""	"NCCCOc1cc2ccccc2cc1C(=O)NCCOc3cc4ccccc4cc3C(=O)Nc5ccc(Cl)cc5O"	0	NA	NA	2	1	NA	""
"762805"	"762805"	""	"Fc1ccc(cc1)c2nn(cc2c3oc4ccccc4n3)c5ccccc5"	0	NA	NA	1	1	NA	""
"762831"	"762831"	"MK-0752"	"COC(=O)CC[C@@H]1CC[C@](CC1)(c2cc(F)ccc2F)S(=O)(=O)c3ccc(Cl)cc3"	0	"PSM|APH1|Gamma secretase"	"Clinical trial"	1	1	NA	""
"762832"	"762832"	"SRI-013070"	"OC(=O)CC[C@@H]1CC[C@@](CC1)(c2cc(F)ccc2F)S(=O)(=O)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"762858"	"762858"	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(SCC(=O)Nc5ccc(Cl)cc5)n24)C(=O)N"	0	NA	NA	1	1	NA	""
"762864"	"762864"	""	"Cc1ccc(NC(=O)CSc2nnc3N(Cc4ccccc4)C(=O)c5c(C)c(sc5n23)C(=O)N)cc1"	0	NA	NA	1	1	NA	""
"762870"	"762870"	""	"Cc1c(sc2c1C(=O)N(Cc3ccccc3)c4nnc(n24)S(=O)(=O)CC(=O)Nc5ccc(Cl)cc5)C(=O)N"	0	NA	NA	1	1	NA	""
"762887"	"762887"	"6-Chloro-5-[2-(1H-imidazol-1-yl)ethyl]-1,3-dihydro-2H-in..."	"Clc1cc2NC(=O)Cc2cc1CCn3ccnc3"	0	NA	NA	1	1	NA	""
"762888"	"762888"	"6-Chloro-5-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1,3-dihydro-..."	"Clc1cc2NC(=O)Cc2cc1CCn3cncn3"	0	NA	NA	1	1	NA	""
"762889"	"762889"	"6-Chloro-5-[2-(piperazin-1-yl)ethyl]-1,3-dihydro-2H-indo..."	"Clc1cc2NC(=O)Cc2cc1CCN3CCNCC3"	0	NA	NA	1	1	NA	""
"762901"	"762901"	"trans-4-{4-[3-(4-chloro-3-trifluoromethyl-phenyl)-ureido..."	"CNC(=O)c1cc(O[C@@H]2CC[C@H](CC2)NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccn1"	0	NA	NA	2	2	NA	""
"762908"	"762908"	"2-(4-(methylsulfonyl)phenyl)-6-p-tolyl-4,5-dihydropyrida..."	"Cc1ccc(cc1)C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	2	2	NA	""
"762911"	"762911"	"6-(4-ethylphenyl)-2-(4-(methylsulfonyl)phenyl)-4,5-dihyd..."	"CCc1ccc(cc1)C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	2	2	NA	""
"762914"	"762914"	"6-(4-hydroxy-2-methylphenyl)-2-(4-(methylsulfonyl)phenyl..."	"Cc1cc(O)ccc1C2=NN(C(=O)CC2)c3ccc(cc3)S(=O)(=O)C"	0	NA	NA	1	1	NA	""
"762920"	"762920"	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)N4N=C(NC4=C3C#N)c5oc(C)cc5)c6cccc(Cl)c6"	0	NA	NA	1	1	NA	""
"762921"	"762921"	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)N4N=C(NC4=C3C#N)c5ccc(C)cc5)c6cccc(Cl)c6"	0	NA	NA	1	1	NA	""
"762934"	"762934"	""	"COc1ccc(cc1)c2nn(cc2C3=C(C#N)C(=O)NC(=C3)c4ccccc4)c5cccc(Cl)c5"	0	NA	NA	1	1	NA	""
"762948"	"762948"	"4-methyl-N-(3-methyl-5-(4-methyl-1H-imidazol-1-yl)phenyl..."	"Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)c4cccnc4)c2)cc(c1)n5cnc(C)c5"	0	NA	NA	2	2	NA	""
"762986"	"762986"	""	"COc1cc2N=C(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)N(Cc4ccccc4)C(=O)c2cc1OC"	0	NA	NA	1	1	NA	""
"762988"	"762988"	""	"COc1cc(NC(=O)CSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"763059"	"763059"	"Paracymene-ruthenium(II)-[N-(3-(1H-imidazol-1-yl)propyl)..."	"CC(C)c1ccc(C)cc1[Ru+2]([ClH-])([ClH-])[n+]2ccn(CCCNC(=O)c3ccc(cc3)C(=C)c4cc5c(cc4C)C(C)(C)CCC5(C)C)c2"	0	NA	NA	2	2	NA	""
"763118"	"763118"	""	"CN(Cc1cccc(C)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763120"	"763120"	""	"CCN(Cc1cccc(OC)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763121"	"763121"	""	"COc1cccc(CN(C)c2ccc(CO)c(Cl)c2)c1"	0	NA	NA	2	2	NA	""
"763122"	"763122"	""	"COc1ccc(CN(C)c2ccc(CO)c(Cl)c2)cc1"	0	NA	NA	2	2	NA	""
"763123"	"763123"	""	"CCN(Cc1ccc(OC)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763124"	"763124"	""	"CN(Cc1ccc(C)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763125"	"763125"	""	"CCN(Cc1ccc(C)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763126"	"763126"	""	"CN(Cc1ccc(Cl)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763127"	"763127"	""	"CCN(Cc1ccc(Cl)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763128"	"763128"	""	"CN(Cc1cccc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763129"	"763129"	""	"CCN(Cc1cccc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763130"	"763130"	""	"CN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763131"	"763131"	"(2-Chloro-4-((4-fluorobenzyl)(ethyl)amino)phenyl)methanol"	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763132"	"763132"	""	"CN(Cc1cccc(Cl)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763133"	"763133"	""	"CN(Cc1ccccc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763134"	"763134"	""	"CCN(Cc1ccccc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763135"	"763135"	""	"CCN(Cc1cccc(Cl)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763136"	"763136"	""	"CCN(Cc1cccc(C)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"763186"	"763186"	""	"COc1ccc(cc1)c2onc(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"763187"	"763187"	""	"COc1ccc2C(C3=C(COC3=O)Nc2c1)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	NA	""
"763188"	"763188"	""	"COc1cc(cc(OC)c1OC)C2C(=C(N)Oc3cc(O)ccc23)C#N"	0	NA	NA	2	2	NA	""
"763193"	"763193"	""	"COc1cccc(c1)C2C(=C(N)Oc3cc(N)ccc23)C#N"	0	NA	NA	2	2	NA	""
"763196"	"763196"	""	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"763198"	"763198"	""	"COc1ccc(cc1)c2[nH]nnc2c3cc(OC)c4OCOc4c3OC"	0	NA	NA	2	2	NA	""
"763231"	"763231"	""	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4cccc(OCc5ccccc5)c4"	0	NA	NA	2	2	NA	""
"763232"	"763232"	""	"CS(=O)(=O)c1nccc(n1)c2c(nc3sccn23)c4cccc(OCc5ccc(F)cc5)c4"	0	NA	NA	2	2	NA	""
"763234"	"763234"	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cccc(c4)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	NA	""
"763235"	"763235"	""	"COc1cc2cc(Oc3ccc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	NA	""
"763236"	"763236"	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	NA	""
"763238"	"763238"	""	"COc1cc2cc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	NA	""
"763241"	"763241"	""	"COc1cc2cc(Oc3ccc(NC(=O)c4cccc5OCCOc45)cc3)c(C)nc2cc1OC"	0	NA	NA	1	1	NA	""
"763266"	"763266"	""	"COc1cc2c(Nc3ccc(cc3)c4ccc(N)cc4)ncnc2c(OC)c1OC"	0	NA	NA	2	2	NA	""
"763271"	"763271"	"(4E,4aE)-4-(4-chlorobenzylidene)-11-(4-chlorophenyl)-2,3..."	"Clc1ccc(\C=C\2/CCCC3C(Nc4ccccc4N=C23)c5ccc(Cl)cc5)cc1"	0	NA	NA	2	1	NA	""
"763273"	"763273"	"(4E,4aE)-4-(3,4,5-trimethoxybenzylidene)-11-(3,4,5-trime..."	"COc1cc(\C=C\2/CCCC3C(Nc4ccccc4N=C23)c5cc(OC)c(OC)c(OC)c5)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"763275"	"763275"	"(E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7..."	"NC1=NC2=C(CCC/C/2=C\c3ccc(Cl)cc3)C(N1)c4ccc(Cl)cc4"	0	NA	NA	2	2	NA	""
"763277"	"763277"	"(E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C(N)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	2	2	NA	""
"763278"	"763278"	"(E)-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyp..."	"COc1cc(\C=C\2/CCCC3=C2N=C(N)NC3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"763372"	"763372"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2-chlorophenyl)-1H..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccccc4Cl)ccc1O"	0	NA	NA	2	1	NA	""
"763373"	"763373"	"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-methylphenyl)-1H..."	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)Nc4ccc(C)cc4)ccc1O"	0	NA	NA	2	1	NA	""
"763444"	"763444"	"PF-477736"	"Cn1cc(cn1)c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc5C(=O)NN=Cc2c35"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	2	2	NA	""
"763494"	"763494"	"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(trifluoro..."	"O[C@H]1C[C@H]2\C=C\CCC[C@@H](OC(=O)\C=C\[C@@H](O)[C@@H]2C1)C(F)(F)F"	0	NA	NA	2	2	NA	""
"763504"	"763504"	""	"OB(O)c1cccc(\C=C\C(=O)c2cccc(c2)B(O)O)c1"	0	NA	NA	1	1	NA	""
"763525"	"763525"	"Pluripotin"	"CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C"	0	"GTPase|RAS|RASA1|PK:STK,MAP3K"	"Clinical trial"	3	3	NA	"839707378"
"763526"	"763526"	"Crenolanib"	"CC1(COc2ccc3c(c2)ncn3c4ccc5cccc(N6CCC(N)CC6)c5n4)COC1"	0	"PK:YK,PDGFR,KIT,VEGFR,TEK,FLT3"	"Clinical trial"	2	2	NA	"670220889"
"763527"	"763527"	"JZL-195"	"[O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1"	0	"MGLL"	"Clinical trial"	1	1	NA	"1210004128"
"763541"	"763541"	"(E)-ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trime..."	"CCOC(=O)C1=CSC2=NC3=C(CCC/C/3=C\c4cc(OC)c(OC)c(OC)c4)C(N12)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	NA	""
"763545"	"763545"	"(E)-ethyl 9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-m..."	"CCOC(=O)C1=C(C)N2C(C3=C(N=C2S1)\C(=C\c4ccc(Cl)cc4)\CCC3)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"763564"	"763564"	"EMD-534085"	"CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4"	0	"CDH16|KIF11|Kinesin|PK:YK"	"Clinical trial"	2	2	NA	""
"763579"	"763579"	"AT-13387"	"CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	NA	"912999496"
"763582"	"763582"	""	"COc1ccc(cc1)c2nn(cc2C3CC(=NN3C(=O)C)c4ccccc4)c5cccc(Cl)c5"	0	NA	NA	1	1	NA	""
"763587"	"763587"	""	"COc1ccc(cc1)c2nn(cc2\C=C/3\C(=NN(C3=N)c4ccccc4)N)c5cccc(Cl)c5"	0	NA	NA	2	2	NA	""
"763595"	"763595"	"2-(1-(3-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py..."	"Fc1cccc(c1)S(=O)(=O)n2cc(C(=O)C(=O)Nc3ccncc3)c4ccccc24"	0	NA	NA	1	1	NA	""
"763617"	"763617"	"(Z)-3-((2-(4-fluorophenyl)-3H-benzo[d]imidazol-5-yl)meth..."	"COc1ccc2NC(=O)\C(=C/c3ccc4nc([nH]c4c3)c5ccc(F)cc5)\c2c1"	0	NA	NA	1	1	NA	""
"763621"	"763621"	"(Z)-3-((2-(4-(trifluoromethyl)phenyl)-3H-benzo[d]imidazo..."	"FC(F)(F)c1ccc(cc1)c2nc3ccc(\C=C/4\C(=O)Nc5ccccc45)cc3[nH]2"	0	NA	NA	1	1	NA	""
"763633"	"763633"	"(Z)-5-chloro-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imida..."	"Fc1cc(F)cc(c1)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	1	1	NA	""
"763635"	"763635"	"N-(benzo[d]thiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)c2cc(nc3cc(nn23)c4ccccc4)C(=O)Nc5nc6ccccc6s5"	0	NA	NA	1	1	NA	""
"763639"	"763639"	"2-(3-chloro-4-fluorophenyl)-5-(3-(3,4,5-trimethoxyphenyl..."	"COc1cc(cc(OC)c1OC)c2nc(c3oc(nn3)c4ccc(F)c(Cl)c4)c5ccccn25"	0	NA	NA	1	1	NA	""
"763646"	"763646"	"(E)-2-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-5-(3-methyl-1H..."	"Cc1cc([nH]n1)c2oc(\C=C\c3ccc4OCOc4c3)nn2"	0	NA	NA	1	1	NA	""
"763663"	"763663"	"(E)-5-methoxy-3-((5-methoxy-1H-indol-3-yl)methylene)indo..."	"COc1ccc2NC(=O)\C(=C\c3c[nH]c4ccc(OC)cc34)\c2c1"	0	NA	NA	1	1	NA	""
"763669"	"763669"	"N-(benzo[d]thiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyra..."	"Fc1ccc(cc1)c2cc(nc3cc(nn23)c4ccccc4)C(=O)Nc5nc6ccccc6s5"	0	NA	NA	1	1	NA	""
"763684"	"763684"	"(Z)-5-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol..."	"COc1ccc(cc1)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	1	1	NA	""
"763692"	"763692"	"(Z)-5-chloro-3-((2-(3,4,5-trimethoxyphenyl)-3H-benzo[d]i..."	"COc1cc(cc(OC)c1OC)c2nc3ccc(\C=C\4/C(=O)Nc5ccc(Cl)cc45)cc3[nH]2"	0	NA	NA	2	2	NA	""
"763703"	"763703"	"(Z)-6-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol..."	"COc1ccc(cc1)c2nc3ccc(\C=C\4/C(=O)Nc5cc(Cl)ccc45)cc3[nH]2"	0	NA	NA	1	1	NA	""
"763728"	"763728"	""	"Cc1nc2cc(O)c(O)cc2cc1Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3"	0	NA	NA	1	1	NA	""
"763729"	"763729"	""	"CCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	NA	""
"763730"	"763730"	""	"CCCCCCCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	NA	""
"763731"	"763731"	""	"CCCCCCCCCCCCCCCCOC(=O)C1=C(C)\C(=C\c2[nH]c(cc2OC)c3ccc[nH]3)\N=C1C"	0	NA	NA	2	2	NA	""
"763743"	"763743"	""	"CC(C)CCNC(=O)[C@@H](CC(C)C)N1C=CC=C(NC(=O)OCC=C)C1=O"	0	NA	NA	1	1	NA	""
"763832"	"763832"	"LOR-253"	"Cc1[nH]c2cc(F)ccc2c1c3nc4c5cccnc5c6ncccc6c4[nH]3"	0	"KLF4|MYC|MTF1"	"Clinical trial"	2	2	NA	""
"763841"	"763841"	""	"COc1ccc(cc1OC)S(=O)(=O)N(Cc2ccc3OC(C)(C)C=Cc3n2)C4CCC4"	0	NA	NA	2	1	NA	"1342890838"
"763847"	"763847"	"3-(3-Hydroxy-4-methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin..."	"COc1ccc(cc1O)c2csc3C(=O)c4cccn4c23"	0	NA	NA	2	2	NA	""
"763856"	"763856"	""	"COc1cc(cc(Br)c1OC)C2CC(=O)Nc3c2ccc4ccccc34"	0	NA	NA	2	2	NA	""
"763857"	"763857"	""	"COc1cc(cc(Br)c1OC)C2CC(=O)Nc3c2cc(Br)c4ccccc34"	0	NA	NA	2	2	NA	""
"763863"	"763863"	""	"COc1cccc(C2CC(=O)Nc3cc4CCCc4cc23)c1OC"	0	NA	NA	2	1	NA	""
"763930"	"763930"	"AS-703569"	"CN1CCN(CC1)c2ccc(Nc3ncc(F)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)cc2C"	0	"PK:AURK"	"Clinical trial"	2	2	NA	""
"763931"	"763931"	"PF-04217903"	"OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2"	0	"PK:MET"	"Clinical trial"	2	1	NA	"956905274"
"764014"	"764014"	""	"NC(=N)NC(=N)NCCCc1occc1"	0	NA	NA	1	1	NA	""
"764022"	"764022"	"(E)-2-methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-t..."	"COc1cc(\C=C\2/CCCCC3=C2N=C4SC(=CN4C3c5cc(OC)c(OC)c(OC)c5)C)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"764032"	"764032"	"(Z/E)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-tria..."	"COc1ccc(cc1OC)c2nnc(SCC(=O)Nc3ccc(cc3)\C(=N/O)\C)n2c4ccccc4"	0	NA	NA	1	1	NA	""
"764036"	"764036"	"Dinaciclib"	"CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCC[C@H]4CCO"	0	"PK:STK,CDK,CDK1,CDK2,CDK5,CDK9"	"Clinical trial"	2	1	NA	"779353014"
"764037"	"764037"	"BP-1-102"	"CN(CC(=O)N(Cc1ccc(cc1)C2CCCCC2)c3ccc(C(=O)O)c(O)c3)S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F"	0	"STAT|IL6|STAT3"	"Clinical trial"	1	1	NA	""
"764039"	"764039"	"AZD-5363"	"NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCO)c4ccc(Cl)cc4"	0	"PK:STK,AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	NA	"1143532391"
"764040"	"764040"	"Alectinib"	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	"PK:YK,ALK"	"FDA approved"	2	2	NA	"1256580467"
"764041"	"764041"	"TAE-684"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:YK,ALK"	"Clinical trial"	2	2	NA	"761439423"
"764042"	"764042"	"ARRY-162"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO"	0	"PK:STK,MAP2K,MAP2K1,MAP2K2"	"FDA approved"	2	2	NA	"606143899"
"764043"	"764043"	"(+)-JQ1"	"Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C"	0	"BRD"	"Clinical trial"	2	2	NA	"1268524704"
"764069"	"764069"	"phidianidine A"	"NC(=N)NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1"	0	NA	NA	1	1	NA	"1301638414"
"764072"	"764072"	"phidianidine A amine precursor"	"NCCCCCNc1noc(Cc2c[nH]c3cc(Br)ccc23)n1"	0	NA	NA	1	1	NA	""
"764090"	"764090"	"BMS-777607"	"CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)C(=O)N(C=C1)c4ccc(F)cc4"	0	"PK:MET,RON"	"Clinical trial"	2	2	NA	"1196681443"
"764091"	"764091"	"Apitolisib"	"C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1032754930"
"764092"	"764092"	"GSK-2126458"	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1086062669"
"764110"	"764110"	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCC(=O)Oc3ccc4C5CC[C@@]6(C)[C@@H](CCC6=O)C5CCc4c3)c7ccc[nH]7"	0	NA	NA	2	2	NA	""
"764134"	"764134"	"Dabrafenib"	"CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4"	0	"PK:BRAF"	"FDA approved"	2	2	NA	"1195768069"
"764135"	"764135"	"BMS-599626"	"Cc1c(NC(=O)OC[C@@H]2COCCN2)cn3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c13"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	NA	"714971092"
"764136"	"764136"	"Abexinostat"	"CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc3ccc(cc3)C(=O)NO"	0	"HDAC"	"Clinical trial"	2	2	NA	"783355602"
"764154"	"764154"	""	"CC(C)(C)c1n[nH]c2Nc3ccc(cc3NC(C4=Cc5ccccc5NC4=O)c12)C(=O)OCc6ccccc6"	0	NA	NA	1	1	NA	""
"764156"	"764156"	""	"CC(C)(C)c1n[nH]c2Nc3ccc(cc3NC(C4=Cc5ccccc5NC4=O)c12)C(=O)Nc6ccc(Cl)cc6"	0	NA	NA	2	2	NA	""
"764162"	"764162"	""	"CC(C)(C)c1cc(n[nH]1)n2c(nc3cc(ccc23)C(=O)Nc4ccc(Cl)cc4)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"764230"	"764230"	"3-(2,4-dimethoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenz..."	"COc1ccc(N2C(=Nc3ccc(C)cc3C2=O)SCc4cc(OC)c(OC)c(OC)c4)c(OC)c1"	0	NA	NA	1	1	NA	""
"764232"	"764232"	"6-chloro-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylth..."	"COc1ccccc1N2C(=O)c3cc(Cl)ccc3N=C2SCc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"764238"	"764238"	"6-Bromoindirubin-3'-Acetoxime"	"CC(=O)O\N=C/1\C(=C/2\C(=O)Nc3cc(Br)ccc23)\Nc4ccccc14"	0	"PK:GSK3A"	"Clinical trial"	1	1	NA	"667463856"
"764239"	"764239"	"AZD-4547"	"COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N4C[C@@H](C)N[C@@H](C)C4)n[nH]2)cc(OC)c1"	0	"PK:YK,FGFR,FGFR1,FGFR2,FGFR3"	"Clinical trial"	2	2	NA	"1035270393"
"764265"	"764265"	""	"CC(C)(C)[Si](C)(C)OC1[C@@H](COC(=O)NC(=O)CCl)O[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	NA	""
"764266"	"764266"	""	"CC(C)(C)[Si](C)(C)OC1[C@@H](CNC(=O)NC(=O)CCl)O[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	NA	""
"764270"	"764270"	""	"CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CNC(=O)NC(=O)CF)O[C@H](C1O[Si](C)(C)C(C)(C)C)n2cnc3c(NC(=O)Nc4ccccc4)ncnc23"	0	NA	NA	1	1	NA	""
"764308"	"764308"	"2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno..."	"O=C1NC(=Nc2sc3CCCCCCc3c12)c4ccccn4"	0	NA	NA	1	1	NA	""
"764310"	"764310"	"4-Hydrazino-2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocyclooct..."	"NNc1nc(nc2sc3CCCCCCc3c12)c4ccccn4"	0	NA	NA	1	1	NA	""
"764312"	"764312"	"4-(4-Methylpiperazin-1-yl)-2-(4-pyridyl)-5,6,7,8,9,10-he..."	"CN1CCN(CC1)c2nc(nc3sc4CCCCCCc4c23)c5ccncc5"	0	NA	NA	1	1	NA	""
"764313"	"764313"	"4-(Morpholin-4-yl)-2-(2-pyridyl)-5,6,7,8,9,10-hexahydroc..."	"C1CCCc2c(CC1)sc3nc(nc(N4CCOCC4)c23)c5ccccn5"	0	NA	NA	1	1	NA	""
"764316"	"764316"	"2-(4-Pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno..."	"O=C1NC(=Nc2sc3CCCCCCc3c12)c4ccncc4"	0	NA	NA	1	1	NA	""
"764320"	"764320"	"4-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(2-pyridyl)-5,6,..."	"COc1ccc(cc1)N2CCN(CC2)c3nc(nc4sc5CCCCCCc5c34)c6ccccn6"	0	NA	NA	1	1	NA	""
"764334"	"764334"	"delanzomib"	"CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)c2ccccc2)[C@@H](C)O)B(O)O"	0	"PSM"	"Clinical trial"	4	4	NA	"847499278"
"764405"	"764405"	""	"COc1c2C(=O)C=C(Oc2c(\C=C\C=O)c3occc13)c4ccccc4"	0	NA	NA	1	1	NA	""
"764407"	"764407"	""	"COc1ccc(cc1)C2=CC(=O)c3c(OC)c4ccoc4c(\C=C\C=O)c3O2"	0	NA	NA	1	1	NA	""
"764457"	"764457"	""	"Clc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccsc4"	0	NA	NA	1	1	NA	""
"764458"	"764458"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(OC)c4"	0	NA	NA	1	1	NA	""
"764459"	"764459"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccsc4"	0	NA	NA	2	2	NA	""
"764463"	"764463"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc5OCCOc5c4"	0	NA	NA	2	2	NA	""
"764481"	"764481"	"Brivanib"	"C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N"	0	"PK:YK,FGFR,VEGFR,FGFR1,FGFR2,FGFR3,KDR"	"Clinical trial"	1	1	NA	"649735637"
"764487"	"764487"	"NVP-BGJ398"	"CCN1CCN(CC1)c2ccc(Nc3cc(ncn3)N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)cc2"	0	"PK:FGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"FDA approved"	2	2	NA	"872511347"
"764490"	"764490"	"6-methyl-3-phenyl-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(C)cc3C(=O)N2c4ccccc4)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"764492"	"764492"	"3-benzyl-6-chloro-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(Cl)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"764493"	"764493"	"3-benzyl-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazol..."	"COc1cc(CSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"764494"	"764494"	"3-benzyl-6,7-dimethoxy-2-(3,4,5-trimethoxybenzylthio)qui..."	"COc1cc2N=C(SCc3cc(OC)c(OC)c(OC)c3)N(Cc4ccccc4)C(=O)c2cc1OC"	0	NA	NA	2	2	NA	""
"764496"	"764496"	"3-(4-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylth..."	"COc1ccc(cc1)N2C(=O)c3cc(C)ccc3N=C2SCc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"764515"	"764515"	"Pp-242"	"CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1092351671"
"764516"	"764516"	"ZSTK-474"	"FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"475110964"
"764517"	"764517"	"UNC-0638"	"COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5"	0	"EHMT2|EHMT1/2"	"Clinical trial"	1	1	NA	"1255580767"
"764530"	"764530"	""	"C[C@@H]1NC(=Nc2nc3ccccn3c2C1=O)c4ccc(Br)cc4"	0	NA	NA	1	1	NA	""
"764567"	"764567"	"3-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-1-(4-methoxyph..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6cc(C)c(C)cc6[nH]5"	0	NA	NA	1	1	NA	""
"764568"	"764568"	"1-(4-methoxyphenyl)-3-(6-methyl-1H-benzo[d]imidazol-2-yl..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccc(C)cc6[nH]5"	0	NA	NA	1	1	NA	""
"764580"	"764580"	"MK-2461"	"CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3C=Cc4ncc(cc4C(=O)c3c2)c5cnn(C)c5"	0	"PK:MET,FGFR"	"Clinical trial"	1	1	NA	"917879391"
"764581"	"764581"	"ARRY-380"	"Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc5ccn6ncnc6c5"	0	"PK:ERBB2"	"FDA approved"	2	2	NA	"937263439"
"764582"	"764582"	"10058-F4"	"CCc1ccc(\C=C/2\SC(=S)NC2=O)cc1"	0	"MYC"	"Clinical trial"	1	1	NA	"403811552"
"764608"	"764608"	"BAL-101553"	"NCCCC[C@H](N)C(=O)Nc1ccc(cc1)C(=O)Cn2c(nc3ccccc23)c4nonc4NCCC#N"	0	"Tu-frag"	"Clinical trial"	2	2	NA	"1263384435"
"764658"	"764658"	"INK-128"	"CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14"	0	"PK:MTOR"	"Clinical trial"	2	1	NA	""
"764659"	"764659"	"SCH-900776"	"Cn1cc(cn1)c2cnn3c(N)c(Br)c(nc23)C4CCCNC4"	0	"PK:STK,CHEK,CHEK1"	"Clinical trial"	1	1	NA	"891494636"
"764757"	"764757"	"SM-406"	"CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C"	0	"IAP"	"Clinical trial"	1	1	NA	"1071992998"
"764763"	"764763"	""	"COc1cc([nH-]2c1C=C3C(=C(C(=O)OCc4ccccc4)C(=[N+]3[B+3]2([F-])[F-])C)C)c5ccc[nH]5"	0	NA	NA	2	2	NA	""
"764764"	"764764"	"ONX-0801"	"OCC1=Nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)c3cc2C(=O)N1"	0	"TYMS"	"Clinical trial"	1	1	NA	"501332690"
"764765"	"764765"	"ARQ-680"	"Cn1ccc(n1)S(=O)(=O)N2CCC[C@@H](C2)Nc3nccc(n3)c4c(nc5occn45)c6cccc(O)c6"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	""
"764770"	"764770"	"N4-(3-Allyl-2-methyl-3H-benzoimidazol-5-yl)- N2-(4-fluor..."	"Cc1nc2ccc(Nc3nc(Nc4ccc(F)cc4)nc5ccccc35)cc2n1CC=C"	0	NA	NA	1	1	NA	""
"764820"	"764820"	"Gandotinib"	"Cc1cc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)[nH]n1"	0	"PK:JAK,JAK2,JAK3"	"Clinical trial"	2	2	NA	""
"764821"	"764821"	"Alectinib"	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	"PK:YK,ALK"	"FDA approved"	2	2	NA	"1256589748"
"764823"	"764823"	"Varlitinib"	"C[C@@H]1COC(=N1)Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2"	0	"PK:YK,EGFR,ERBB2"	"Clinical trial"	2	2	NA	"845272211"
"764825"	"764825"	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(C)c2"	0	NA	NA	2	2	NA	""
"764826"	"764826"	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(F)c2"	0	NA	NA	2	2	NA	""
"764827"	"764827"	""	"CCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"764828"	"764828"	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(OC)c2"	0	NA	NA	2	2	NA	""
"764869"	"764869"	""	"Cc1nc2sccn2c1c3csc(Nc4ccccc4Cl)n3"	0	NA	NA	1	1	NA	""
"764879"	"764879"	""	"COc1cc(\C=C\C2=NC(=O)NC(=C2)C(F)(F)F)ccc1OCc3ccccc3F"	0	NA	NA	1	1	NA	""
"764901"	"764901"	"1-(4-chlorobenzyl)-2,5-dimethyl-3-phenyl-1H-pyrrole"	"Cc1cc(c(C)n1Cc2ccc(Cl)cc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"764902"	"764902"	"1-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-1H-pyrrole"	"COc1ccc(cc1)n2c(C)cc(c2C)c3ccccc3"	0	NA	NA	1	1	NA	""
"764903"	"764903"	"1-Cyclopropyl-6-fluoro-4-oxo-7-(4-{[4-(3-phenyl-acryloyl..."	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC(=O)Nc5ccc(cc5)C(=O)\C=C\c6ccccc6)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	NA	""
"764906"	"764906"	"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-({4-[3-(3,4,5-trimetho..."	"COc1cc(\C=C\C(=O)c2ccc(NC(=O)CN3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)cc2)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"764928"	"764928"	"6-Methoxy-benzothiazol-2-yl-carbamic acid ethyl ester"	"CCOC(=O)Nc1nc2ccc(OC)cc2s1"	0	NA	NA	1	1	NA	""
"764933"	"764933"	"5-Propoxy-benzothiazol-2-yl-carbamic acid methyl ester"	"CCCOc1ccc2sc(NC(=O)OC)nc2c1"	0	NA	NA	2	2	NA	""
"764934"	"764934"	"6-Ethoxy-benzothiazol-2-yl-carbamic acid ethyl ester"	"CCOC(=O)Nc1nc2cc(OCC)ccc2s1"	0	NA	NA	2	2	NA	""
"764935"	"764935"	"1H-Benzoimidazol-2-yl-carbamic acid"	"CCOC(=O)Nc1nc2ccccc2[nH]1"	0	NA	NA	2	2	NA	""
"765320"	"765320"	""	"Cc1cc(C)c(c(C)c1)S(=O)(=O)N2CCN(CC2)c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5"	0	NA	NA	1	1	NA	""
"765339"	"765339"	"8-Azainosine"	"OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2nnc3C(=O)NC=Nc23"	0	NA	NA	1	1	NA	""
"765369"	"765369"	"4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)..."	"CN(C)CCn1ccc(n1)c2cccc(c2)c3nc(nc(C)c3C)N(C)C"	0	NA	NA	1	1	NA	""
"765395"	"765395"	"MPC-3100"	"C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc5c(N)ncnc25)CC1"	0	"HSP90"	"Clinical trial"	1	1	NA	"958025666"
"765396"	"765396"	"BMN-673"	"Cn1ncnc1C2C(Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5"	0	"PARP1|PARP2"	"FDA approved"	2	2	NA	"1207454565"
"765405"	"765405"	""	"CN1C(=O)[C@H]2c3c1cccc3[C@@]4([N+]#[C-])C(=O)[C@H](CCC4(C)C)C2(C)C"	0	NA	NA	1	1	NA	""
"765406"	"765406"	""	"CC[C@H](C)[C@H]1NC(=O)[C@@H](N[C@](C)(O)[C@@H](N)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C"	0	NA	NA	2	2	NA	""
"765420"	"765420"	"ml311"	"CCN1CCN(CC1)C(c2ccc(cc2)C(F)(F)F)c3ccc4cccnc4c3O"	0	NA	NA	1	1	NA	""
"765428"	"765428"	"(E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C(C)NC3c4ccc(OC)c(OC)c4)cc1OC"	0	NA	NA	1	1	NA	""
"765429"	"765429"	"(E)-2-methyl-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-tr..."	"COc1cc(\C=C\2/CCCC3=C2N=C(C)NC3c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"765435"	"765435"	"Ganetespib"	"CC(C)c1cc(C2=NNC(=O)N2c3ccc4c(ccn4C)c3)c(O)cc1O"	0	"HSP90"	"Clinical trial"	2	2	NA	"888216259"
"765436"	"765436"	"YK-4-279"	"COc1ccc(cc1)C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c23"	0	"ERG|ETV"	"Clinical trial"	2	2	NA	"1037184443"
"765608"	"765608"	"(E)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin..."	"Oc1ccccc1\C=N\NC2=NN=CC(=O)N2"	0	NA	NA	2	2	NA	""
"765609"	"765609"	"(3E,5E)-1-methyl-3,5-bis(3,4,5-trimethoxybenzylidene)pip..."	"COc1cc(\C=C\2/CN(C)C\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)cc(OC)c1OC"	0	NA	NA	2	1	NA	""
"765610"	"765610"	""	"CCN(Cc1ccc(Cl)s1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765611"	"765611"	""	"CCN(Cc1ccc(F)cc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765612"	"765612"	""	"CCN(Cc1ccc(F)c(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765613"	"765613"	""	"CCN(Cc1ccccn1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765614"	"765614"	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(c2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"765615"	"765615"	""	"CCN(Cc1cccnc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765616"	"765616"	""	"CCN(Cc1ccncc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765617"	"765617"	""	"CCCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765618"	"765618"	""	"OCc1ccc(cc1Cl)N(CC2CC2)Cc3ccc(F)cc3"	0	NA	NA	2	2	NA	""
"765619"	"765619"	""	"COCCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765662"	"765662"	""	"CCN(Cc1cccc(F)c1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765663"	"765663"	""	"CCN(Cc1cc(F)ccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765664"	"765664"	""	"CCN(CC)CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765665"	"765665"	""	"OCc1ccc(cc1Cl)N(CCN2CCCC2)Cc3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"765666"	"765666"	""	"CCN(Cc1c(F)cccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765667"	"765667"	""	"CCN(Cc1cc(F)cc(F)c1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765668"	"765668"	""	"OCc1ccc(cc1Cl)N(CC2CCC2)Cc3ccc(F)cc3"	0	NA	NA	2	2	NA	""
"765669"	"765669"	""	"OCc1ccc(cc1Cl)N(Cc2ccc(F)cc2)Cc3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"765670"	"765670"	""	"OCc1ccc(cc1Cl)N(Cc2ccc(F)cc2)C3CCC3"	0	NA	NA	2	2	NA	""
"765671"	"765671"	""	"CC(C)N(Cc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"765672"	"765672"	"S-49076"	"O=C1OCCN1Cc2ccc3NC(=O)\C(=C/c4cc(CN5CCOCC5)c[nH]4)\c3c2"	0	"PK:MET,AXL,FGFR,MERTK"	"Clinical trial"	1	1	NA	"1266319576"
"765677"	"765677"	""	"COc1cc(cc(CN2CCCCC2)c1O)c3sc4ccccc4[n+]3[Ni+2]([ClH-])([ClH-])[n+]5c(sc6ccccc56)c7cc(CN8CCCCC8)c(O)c(OC)c7"	0	NA	NA	1	1	NA	""
"765694"	"765694"	"Bosutinib"	"COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl"	0	"STAT|BCR-ABL|STAT5A/B|PK:YK,LYN,SRC,HCK"	"FDA approved"	2	2	NA	"380843754"
"765695"	"765695"	"PD 184352"	"Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F"	0	"PK:MAP2K"	"Clinical trial"	2	2	NA	"212631793"
"765699"	"765699"	""	"Nc1nonc1c2nc3ccccc3n2Cc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	NA	""
"765700"	"765700"	""	"Nc1nonc1c2nc3ccccc3n2CC(=O)Nc4ccccc4Cl"	0	NA	NA	2	2	NA	""
"765712"	"765712"	""	"Clc1cccc(Cc2cn3cc(nc3s2)c4ccccc4)c1Cl"	0	NA	NA	1	1	NA	""
"765715"	"765715"	""	"Clc1cccc(Cc2cn3cc(nc3s2)c4ccccc4)c1"	0	NA	NA	1	1	NA	""
"765718"	"765718"	""	"Cc1nn(c(N)c1c2ccc(Cl)cc2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	NA	""
"765722"	"765722"	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccccc4F"	0	NA	NA	2	2	NA	""
"765733"	"765733"	""	"CN1CCN(CCn2c(nc3ccccc23)C(=O)C)CC1"	0	NA	NA	2	2	NA	""
"765735"	"765735"	""	"Nc1nc(cc(n1)c2ccc(Cl)cc2Cl)c3ccccc3Cl"	0	NA	NA	1	1	NA	""
"765762"	"765762"	"1,4,5,5a,6,7,10,11,11a,13-Decahydro-3,5a,6,9,10,13-hexam..."	"CN1c2c(c(C)nn2c3ccccc3)C4(C)[C@H]5CC6(CC1(C)C[C@H]46)N(C)c7c(C5=C)c(C)nn7c8ccccc8"	0	NA	NA	1	1	NA	""
"765764"	"765764"	""	"CN1c2c(c(C)nn2c3ccc(cc3)C#CCOC4OC(CO)C(O)C(O)C4O)C5(C)[C@@H]6CC7(CC1(C)C[C@H]57)N(C)c8c(C6=C)c(C)nn8c9ccc(cc9)C#CCOC%10OC(CO)C(O)C(O)C%10O"	0	NA	NA	1	1	NA	""
"765770"	"765770"	"(5S,6aR,7S,12S,13S,13aS)-3,9-bis(4-methoxyphenyl)-1,4,5,..."	"COc1ccc(cc1)n2nc(C)c3[C@@H](C)[C@H]4CC5(CC6(C)C[C@@H]5C4(C)c7c(C)nn(c8ccc(OC)cc8)c7N6C)N(C)c23"	0	NA	NA	1	1	NA	""
"765771"	"765771"	"N-(4-benzylphenyl)-3-(3,3-dimethyltriaz-1-en-1-yl)-1H-in..."	"CN(C)N=Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c4ccccc14"	0	NA	NA	2	2	NA	""
"765773"	"765773"	"3,4-di-p-tolylisoxazolo[3,4-d]pyridazin-7(6H)-one"	"Cc1ccc(cc1)C2=NNC(=O)c3noc(c4ccc(C)cc4)c23"	0	NA	NA	1	1	NA	""
"765775"	"765775"	"Gemcitabine elaidate"	"CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(F)(F)[C@@H]1O"	0	"Ds"	"Clinical trial"	2	2	NA	"210829304"
"765776"	"765776"	"AZD-3514"	"CC(=O)N1CCN(CCOc2ccc(cc2)C3CCN(CC3)C4=Nn5c(CC4)nnc5C(F)(F)F)CC1"	0	"AR"	"Clinical trial"	1	1	NA	"1240299335"
"765797"	"765797"	"3-(2-phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl)-1-(3..."	"COc1cc(cc(OC)c1OC)c2cc(cc(n2)c3ccccc3)c4cc5c6ccccc6[nH]c5c(n4)c7cc(OC)c(OC)c(OC)c7"	0	NA	NA	1	1	NA	""
"765798"	"765798"	"(E)-3-(3-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)meth..."	"COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc3cn(Cc4ccc(F)cc4)nn3"	0	NA	NA	1	1	NA	""
"765799"	"765799"	"(E)-3-(4-methoxy-3-((1-(4-methoxybenzyl)-1H-1,2,3-triazo..."	"COc1ccc(Cn2cc(COc3cc(\C=C\C(=O)c4cc(OC)c(OC)c(OC)c4)ccc3OC)nn2)cc1"	0	NA	NA	1	1	NA	""
"765800"	"765800"	"3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1-(4-methoxypheny..."	"COc1ccc(cc1)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccc(OC)cc6[nH]5"	0	NA	NA	1	1	NA	""
"765804"	"765804"	"(E)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\C(=O)c3ccc(Cl)c(Cl)c3)[nH]n2"	0	NA	NA	1	1	NA	""
"765805"	"765805"	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyp..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\C(=O)c3ccc4OCOc4c3)[nH]n2"	0	NA	NA	1	1	NA	""
"765806"	"765806"	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(n[nH]2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"765812"	"765812"	"(E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2cc(n[nH]2)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"765815"	"765815"	"3-(1H-benzo[d]imidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-..."	"COc1cc(cc(OC)c1OC)c2nc(cc3c4ccccc4[nH]c23)c5nc6ccccc6[nH]5"	0	NA	NA	1	1	NA	""
"765820"	"765820"	"(E)-5-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t..."	"Cc1nn2c(\C=C/3\C(=O)Nc4ccc(Cl)cc34)c(nc2s1)c5ccccc5"	0	NA	NA	1	1	NA	""
"765865"	"765865"	"ASP-3026"	"COc1cc(ccc1Nc2ncnc(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:ALK"	"Clinical trial"	2	2	NA	""
"765866"	"765866"	"Refametinib"	"COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(CC(O)CO)CC3"	0	"PK:MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	1	1	NA	"923032375"
"765876"	"765876"	"(1S,2S)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di..."	"[Cl-][Pt+2]1([Cl-])N[C@@H](C(C)C)[C@@H](N1)c2ccc(F)cc2"	0	NA	NA	1	1	NA	""
"765877"	"765877"	"(1R,2R)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di..."	"[Cl-][Pt+2]1([Cl-])N[C@H](C(C)C)[C@H](N1)c2ccc(F)cc2"	0	NA	NA	1	1	NA	""
"765878"	"765878"	"Sphaeropsidin A"	"CC1(C)CCC[C@]23[C@H]1[C@](O)(OC2=O)C(=O)C4=C[C@](C)(CC[C@]34O)C=C"	0	NA	NA	1	1	NA	""
"765884"	"765884"	""	"CN1C=CN(Cc2ccc(nc2)c3ccccn3)[C-]1[Au+3][C-]4N(C)C=CN4Cc5ccc(nc5)c6ccccn6"	0	NA	NA	2	2	NA	""
"765885"	"765885"	""	"CN1C=CN([C-]1[Au+3][C-]2N(C)C=CN2c3ccc4ccccc4n3)c5ccc6ccccc6n5.[F-][PH2+5]([F-])([F-])([F-])([F-])[F-]"	0	NA	NA	2	2	NA	""
"765888"	"765888"	"Dacomitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	"PK:EGFR,ERBB2"	"FDA approved"	2	2	NA	"1110813314"
"765889"	"765889"	"ABT-348"	"Nc1ncc(c2cnn(CCO)c2)c3scc(c4ccc(NC(=O)Nc5cccc(F)c5)cc4)c13"	0	"PK:AURK,VEGFR"	"Clinical trial"	2	2	NA	"1227939823"
"765898"	"765898"	"GDC-0152"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3snnc3c4ccccc4"	0	"IAP"	"Clinical trial"	2	2	NA	""
"765911"	"765911"	"4-(5-(4-chlorophenyl)-5H-thiazolo[3,2-a]pyrimidin-7-yl)a..."	"Nc1ccc(cc1)C2=CC(N3C=CSC3=N2)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"765948"	"765948"	"fluvastatin sodium (usan)"	"CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13"	0	NA	NA	2	2	NA	"93957552"
"765949"	"765949"	"AEE-788"	"CCN1CCN(Cc2ccc(cc2)c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)CC1"	0	"PK:EGFR,ERBB2,VEGF,VEGFR"	"Clinical trial"	2	2	NA	"497839620"
"765954"	"765954"	"5-(2-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-thiaz..."	"COc1ccc(cc1)C2=CC(N3C=CSC3=N2)c4ccc(OC)cc4Br"	0	NA	NA	1	1	NA	""
"765955"	"765955"	"5-(2-bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-t..."	"COc1ccc(C2C=C(N=C3SC=CN23)c4ccc(OC)c(OC)c4)c(Br)c1"	0	NA	NA	1	1	NA	""
"765974"	"765974"	"BYL-719"	"Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F"	0	"PK:PIK3"	"FDA approved"	2	2	NA	"1217486617"
"766053"	"766053"	""	"COc1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(n2)N5CCOCC5)cc1"	0	NA	NA	1	1	NA	""
"766054"	"766054"	""	"Cc1ccc(cc1)S(=O)(=O)N2C\C(=C/c3cc(F)cc(F)c3)\C(=O)\C(=C\c4cc(F)cc(F)c4)\C2"	0	NA	NA	2	2	NA	""
"766055"	"766055"	""	"Fc1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(n2)N5CCOCC5)cc1"	0	NA	NA	1	1	NA	""
"766056"	"766056"	"(3E,5E)-1-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1..."	"COc1ccc(\C=C\2/CN(Cc3cn(CCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)c(OC)c6)\C2=O)cc1OC"	0	NA	NA	1	1	NA	""
"766074"	"766074"	""	"CCSc1nnc(c2ccc3ccccc3c2O)n1c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"766076"	"766076"	""	"CC(=O)Oc1ccc(C2OC(=NN2C(=O)C)c3ccc4ccccc4c3OC(=O)C)c(OC(=O)C)c1"	0	NA	NA	2	2	NA	""
"766103"	"766103"	"6-(4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-..."	"COc1ccc(cc1)C2=Nn3c(SC2)nnc3n4nc(C)cc4C"	0	NA	NA	2	2	NA	""
"766118"	"766118"	"Teriflunomide"	"C\C(=C(/C#N)\C(=O)Nc1ccc(cc1)C(F)(F)F)\O"	0	""	"FDA approved"	1	1	NA	"108605625"
"766124"	"766124"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"766126"	"766126"	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"766129"	"766129"	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"766130"	"766130"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	2	1	NA	""
"766131"	"766131"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	2	1	NA	""
"766132"	"766132"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccccc5)c4"	0	NA	NA	2	2	NA	""
"766133"	"766133"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"766134"	"766134"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(Cl)c(c5)C(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"766143"	"766143"	""	"Oc1cccc(c1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"766216"	"766216"	""	"Clc1ccc(\C=C/2\CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=S)Nc4ccccc4)cc1"	0	NA	NA	2	2	NA	""
"766218"	"766218"	""	"Clc1ccc(\C=C/2\CN(C\C(=C/c3ccc(Cl)cc3)\C2=O)C(=O)c4ccccc4)cc1"	0	NA	NA	2	2	NA	""
"766219"	"766219"	""	"CC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	NA	""
"766220"	"766220"	""	"Fc1ccc(\C=C/2\CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)c4ccccc4)cc1"	0	NA	NA	1	1	NA	""
"766221"	"766221"	""	"Fc1ccc(\C=C/2\CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)c4ccccc4F)cc1"	0	NA	NA	2	2	NA	""
"766223"	"766223"	""	"[O-][N+](=O)c1ccc(cc1)C(=O)N2C\C(=C\c3ccc(F)cc3)\C(=O)\C(=C\c4ccc(F)cc4)\C2"	0	NA	NA	2	2	NA	""
"766226"	"766226"	""	"COc1ccc(\C=C/2\CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)c4ccccc4F)cc1"	0	NA	NA	1	1	NA	""
"766227"	"766227"	""	"Fc1ccccc1C(=O)N2C\C(=C\c3ccc(Br)cc3)\C(=O)\C(=C\c4ccc(Br)cc4)\C2"	0	NA	NA	2	2	NA	""
"766228"	"766228"	""	"Brc1ccc(\C=C/2\CN(CCC#N)C\C(=C/c3ccc(Br)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"766229"	"766229"	""	"COc1ccc(\C=C/2\CN(CCC#N)C\C(=C/c3ccc(OC)cc3)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"766230"	"766230"	""	"Fc1ccccc1C(=O)N2C\C(=C\c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	2	2	NA	""
"766231"	"766231"	""	"Cc1ccc(cc1)C(=O)N2C\C(=C\c3ccccc3)\C(=O)\C(=C\c4ccccc4)\C2"	0	NA	NA	2	2	NA	""
"766239"	"766239"	""	"CCOC(=O)N1C\C(=C\c2ccc(OC)cc2)\C(=O)\C(=C\c3ccc(OC)cc3)\C1"	0	NA	NA	2	2	NA	""
"766240"	"766240"	""	"CCOC(=O)N1C\C(=C\c2ccc(F)cc2)\C(=O)\C(=C\c3ccc(F)cc3)\C1"	0	NA	NA	1	1	NA	""
"766241"	"766241"	""	"CCOC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	1	1	NA	""
"766243"	"766243"	""	"CCC(=O)N1C\C(=C\c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	NA	""
"766244"	"766244"	""	"CCC(=O)N1C\C(=C\c2ccc(Br)cc2)\C(=O)\C(=C\c3ccc(Br)cc3)\C1"	0	NA	NA	2	2	NA	""
"766245"	"766245"	""	"CCC(=O)N1C\C(=C\c2ccc(OC)cc2)\C(=O)\C(=C\c3ccc(OC)cc3)\C1"	0	NA	NA	1	1	NA	""
"766246"	"766246"	""	"O=C(N1C\C(=C\c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)c4ccccc4"	0	NA	NA	1	1	NA	""
"766247"	"766247"	""	"O=C1\C(=C/c2ccccc2)\CN(CCC#N)C/C/1=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"766255"	"766255"	"CT-GSK183"	"CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25"	0	"PK:IGF1R,ALK"	"Clinical trial"	2	2	NA	"1116235972"
"766257"	"766257"	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	2	2	NA	""
"766258"	"766258"	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCCCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	1	1	NA	""
"766259"	"766259"	""	"CC\C(=C(\c1ccc(OCCN(C)C)cc1)/c2ccc(OC(=O)CCCCCCCCC(=O)C3=C(C)\C(=C\c4[nH]c(cc4OC)c5ccc[nH]5)\N=C3C)cc2)\c6ccccc6"	0	NA	NA	1	1	NA	""
"766270"	"766270"	"ABT-199"	"CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4"	0	"BCL2"	"FDA approved"	2	2	NA	"1257044408"
"766271"	"766271"	"PHA-665752"	"Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6"	0	"PK:MET"	"Clinical trial"	1	1	NA	"477575567"
"766272"	"766272"	""	"COc1cc(NC(=O)CCSC2=Nc3ccc(C)cc3C(=O)N2Cc4ccccc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"766289"	"766289"	""	"COc1cc(Nc2ncnc(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC"	0	NA	NA	2	2	NA	""
"766292"	"766292"	""	"CCC(=O)Nc1nonc1c2nc3ccccc3n2Cc4cccc(F)c4"	0	NA	NA	1	1	NA	""
"766294"	"766294"	""	"COc1cccc(Cn2c(nc3ccccc23)c4nonc4N)c1"	0	NA	NA	2	2	NA	""
"766298"	"766298"	""	"COc1cc(cc(OC)c1OC)C(=O)n2nc(N)c3c(C)cc(C)nc23"	0	NA	NA	2	2	NA	""
"766314"	"766314"	"(E)-3-(4-ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido..."	"COc1cc(\C=C\C2=Nc3ncccc3C(=O)N2c4ccc(cc4)C#C)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"766317"	"766317"	"(E)-3-(4-ethynylphenyl)-2-(2-(naphthalen-2-yl)vinyl)pyri..."	"O=C1N(C(=Nc2ncccc12)\C=C\c3ccc4ccccc4c3)c5ccc(cc5)C#C"	0	NA	NA	1	1	NA	""
"766325"	"766325"	"1-(6-fluoro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(F)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766330"	"766330"	"6-methoxy-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-..."	"COc1ccc(cc1)c2nc(c3nc4ccc(OC)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766331"	"766331"	"2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl)-6-(tri..."	"COc1ccc(cc1)c2nc(c3nc4ccc(cc4[nH]3)C(F)(F)F)c5ccccn25"	0	NA	NA	1	1	NA	""
"766332"	"766332"	"1-(6-chloro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766333"	"766333"	"6-chloro-5-fluoro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]py..."	"COc1ccc(cc1)c2nc(c3nc4cc(F)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766334"	"766334"	"(E)-3-(4-ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]..."	"Oc1ccc(\C=C\C2=Nc3ncccc3C(=O)N2c4ccc(cc4)C#C)cc1"	0	NA	NA	1	1	NA	""
"766337"	"766337"	"5,6-dichloro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin..."	"COc1ccc(cc1)c2nc(c3nc4cc(Cl)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766338"	"766338"	"3-(4-methoxyphenyl)-1-(6-methyl-1H-benzo[d]imidazol-2-yl..."	"COc1ccc(cc1)c2nc(c3nc4ccc(C)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"766343"	"766343"	""	"NC(=N)c1ccc(cc1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	NA	""
"766346"	"766346"	""	"NC(=N)c1ccc(nc1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	NA	""
"766347"	"766347"	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccccc3"	0	NA	NA	2	1	NA	""
"766348"	"766348"	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	NA	""
"766397"	"766397"	""	"CCN(CCc1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"766399"	"766399"	""	"OCc1ccc(cc1Cl)N2CCCC2"	0	NA	NA	2	2	NA	""
"766401"	"766401"	""	"OCc1ccc(cc1Cl)N2CCOCC2"	0	NA	NA	2	2	NA	""
"766402"	"766402"	""	"OCc1ccc(cc1Cl)N2CCc3cc(F)ccc3C2"	0	NA	NA	2	2	NA	""
"766404"	"766404"	""	"CCN(Cc1ccc(F)cc1)c2ccc(CO)c(Br)c2"	0	NA	NA	2	2	NA	""
"766407"	"766407"	""	"OCc1ccc(cc1Cl)N2CCc3ccc(F)cc3C2"	0	NA	NA	2	2	NA	""
"766408"	"766408"	""	"CC(C)N(Cc1c(F)cccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"766411"	"766411"	"mmv malaria box"	"Cc1ccc(cc1)c2cc3c(SCC(=O)Nc4cc(ccc4Cl)C(F)(F)F)nccn3n2"	0	NA	NA	1	1	NA	""
"766417"	"766417"	"mmv malaria box"	"Cc1cc(\C=C\2/S\C(=N/c3ccccc3)\N(C4CCCC4)C2=O)c(C)n1c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"766426"	"766426"	"mmv malaria box"	"CCCCCC(=O)N1C(C2=C(O)CC(CC2=Nc3ccccc13)c4ccc(OC)c(OC)c4)c5ccc(cc5)C(F)(F)F"	0	NA	NA	1	1	NA	""
"766440"	"766440"	"mmv malaria box"	"CSC1=N\C(=N/c2c(C)cccc2C)\C3(CCC(CC3)C(C)(C)C)N1c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"766467"	"766467"	"mmv malaria box"	"COc1ccc2C(=O)C=C(Oc2c1)C(Cl)(Cl)Cl"	0	NA	NA	1	1	NA	""
"766470"	"766470"	"mmv malaria box"	"COc1ccc(cc1)c2nc3cc(Cc4ccc5[nH]c(nc5c4)c6ccc(OC)cc6)ccc3[nH]2"	0	NA	NA	2	2	NA	""
"766478"	"766478"	"mmv malaria box"	"Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C"	0	NA	NA	1	1	NA	""
"766494"	"766494"	"mmv malaria box"	"CCCCc1ccc(NS(=O)(=O)c2cc3CCN4C(=O)CCc(c2)c34)cc1"	0	NA	NA	1	1	NA	""
"766497"	"766497"	"mmv malaria box"	"Oc1ccc(Cl)cc1CNc2nc3ccccc3[nH]2"	0	NA	NA	1	1	NA	""
"766511"	"766511"	"mmv malaria box"	"Clc1ccc(cc1)C2(CN3CCC(CC3)NC(=O)CCc4occc4)CCC2"	0	NA	NA	1	1	NA	""
"766523"	"766523"	"mmv malaria box"	"CCN1CCN(CC1)c2cc(C)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3n2"	0	NA	NA	2	2	NA	""
"766527"	"766527"	"mmv malaria box"	"Oc1ccccc1NC(=O)c2ccc(Oc3cccc(c3)C(=O)Nc4ccccc4O)cc2"	0	NA	NA	1	1	NA	""
"766532"	"766532"	"mmv malaria box"	"CC(CCC(=C)C)N1CCC(CC1)N2CCC(CC2)C(=O)NCCc3ccccc3"	0	NA	NA	1	1	NA	""
"766538"	"766538"	"mmv malaria box"	"COc1ccc(CCN2CCC(CN(C)Cc3cnn(c3)c4ccccc4)CC2)cc1"	0	NA	NA	1	1	NA	""
"766544"	"766544"	"mmv malaria box"	"COc1cccc(c1)c2nn(C)c3sc(cc23)C(=O)NCCN4CCN(CC4)c5ccccc5F"	0	NA	NA	1	1	NA	""
"766546"	"766546"	"mmv malaria box"	"CCOc1cc(Cl)c(cc1OCC)C(C)NC(=O)c2cccc(OC)c2"	0	NA	NA	2	2	NA	""
"766547"	"766547"	"mmv malaria box"	"CCOc1c(Cl)cc(CNC(C)C(O)c2ccccc2)cc1OC"	0	NA	NA	1	1	NA	""
"766548"	"766548"	"mmv malaria box"	"Cc1oc(CN2CCC(CC2)C(=O)Nc3ccc(cc3)c4cc5ccccc5[nH]4)cc1"	0	NA	NA	1	1	NA	""
"766556"	"766556"	"mmv malaria box"	"CCOc1cc(Br)c(cc1OCC)C(C)NC(=O)c2cccc(OC)c2"	0	NA	NA	2	2	NA	""
"766563"	"766563"	"mmv malaria box"	"CC(C)OCc1cc(CN2CCN(CC2)c3cccc(Cl)c3)c(O)c4ncccc14"	0	NA	NA	1	1	NA	""
"766564"	"766564"	"mmv malaria box"	"CCCN(CCC)CCCNC(=O)c1cc2c(nn(C)c2s1)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"766578"	"766578"	"mmv malaria box"	"COc1cc2cc(C(=O)Nc3ccccc3)c(N)nc2cc1OC"	0	NA	NA	1	1	NA	""
"766585"	"766585"	"mmv malaria box"	"Clc1ccc2nc(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1)c5ccncc5"	0	NA	NA	2	2	NA	""
"766590"	"766590"	"mmv malaria box"	"CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1"	0	NA	NA	1	1	NA	""
"766601"	"766601"	"mmv malaria box"	"CCN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(cc3)C(=O)OC"	0	NA	NA	1	1	NA	""
"766613"	"766613"	"mmv malaria box"	"Cc1cc(Nc2cccc(F)c2)nc(NCc3ccccc3)n1"	0	NA	NA	1	1	NA	""
"766615"	"766615"	"mmv malaria box"	"Clc1ccc2nc(cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1)c5cccnc5"	0	NA	NA	1	1	NA	""
"766626"	"766626"	"mmv malaria box"	"Cc1sc2ncnc(Sc3nc4ccccc4[nH]3)c2c1C"	0	NA	NA	1	1	NA	""
"766634"	"766634"	"mmv malaria box"	"Oc1c(CN2CCN(CC2)c3ccccc3F)cc(Br)c4cccnc14"	0	NA	NA	2	2	NA	""
"766649"	"766649"	"mmv malaria box"	"Oc1c2CCCCc2nc3ccccc13"	0	NA	NA	1	1	NA	""
"766656"	"766656"	"mmv malaria box"	"CCOC(=O)c1cnc2ccc(Cl)cc2c1NCCCN(C)C"	0	NA	NA	1	1	NA	""
"766672"	"766672"	"mmv malaria box"	"Cc1ccc(OCCCCCCNCCO)c(C)c1"	0	NA	NA	2	2	NA	""
"766674"	"766674"	"mmv malaria box"	"COc1ccc(C)c2sc(nc12)N(Cc3cccnc3)C(=O)c4ccc(cc4)C#N"	0	NA	NA	1	1	NA	""
"766681"	"766681"	"mmv malaria box"	"CC1=C(CC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)c3ccccc3C1=O"	0	NA	NA	1	1	NA	""
"766685"	"766685"	"mmv malaria box"	"COc1ccc(cc1)C2=CC(=O)Oc3c4CN(Cc5ccc(F)cc5)COc4ccc23"	0	NA	NA	1	1	NA	""
"766689"	"766689"	"mmv malaria box"	"Clc1ccc2OC(=O)C=C(NC3CCN(CCCc4ccccc4)CC3)c2c1"	0	NA	NA	1	1	NA	""
"766690"	"766690"	"mmv malaria box"	"CCOC(=O)c1cnc2c(C)cccc2c1Nc3ccc(cc3)C(=O)C"	0	NA	NA	1	1	NA	""
"766693"	"766693"	"mmv malaria box"	"CCOc1ccc2OCN(Cc3ccc(Cl)cc3)Cc2c1"	0	NA	NA	1	1	NA	""
"766694"	"766694"	"mmv malaria box"	"CCOC(=O)C1=C(C)N=C2S\C(=C/c3ccccc3O)\C(=O)N2C1c4ccc(OC)c5ccccc45"	0	NA	NA	1	1	NA	""
"766701"	"766701"	"mmv malaria box"	"Nc1ccc(cc1)c2nc3cc(Cc4ccc5[nH]c(nc5c4)c6ccc(N)cc6)ccc3[nH]2"	0	NA	NA	1	1	NA	""
"766704"	"766704"	"mmv malaria box"	"COc1ccc(cc1CN2CCN(CC2)c3ccc(F)cc3)C4NCCc5c4[nH]c6ccccc56"	0	NA	NA	1	1	NA	""
"766707"	"766707"	"mmv malaria box"	"Brc1cccc(c1)C(=O)Nc2ccc(cc2)c3nc4cc5ccccc5cc4[nH]3"	0	NA	NA	1	1	NA	""
"766721"	"766721"	"mmv malaria box"	"COc1ccc(CN2CCCC(C2)C(=O)c3ccc(cc3)C(F)(F)F)c(O)c1"	0	NA	NA	1	1	NA	""
"766722"	"766722"	"mmv malaria box"	"CCCCCCc1cc2C=C(\C(=N\c3ccccc3C)\Oc2cc1O)c4nc5ccccc5[nH]4"	0	NA	NA	2	2	NA	""
"766723"	"766723"	"mmv malaria box"	"Brc1ccc(Nc2nc3ccccc3nc2Nc4ccc(Br)cc4)cc1"	0	NA	NA	1	1	NA	""
"766734"	"766734"	"mmv malaria box"	"O=C(NC1CCN(Cc2ccccc2)CC1)c3cc(cc(c3)C(=O)NC4CCN(Cc5ccccc5)CC4)C(=O)NC6CCN(Cc7ccccc7)CC6"	0	NA	NA	1	1	NA	""
"766744"	"766744"	"mmv malaria box"	"CC1=CC(=O)Oc2c1ccc3oc(C(=O)c4ccc(C)cc4)c(C)c23"	0	NA	NA	1	1	NA	""
"766746"	"766746"	"mmv malaria box"	"CCCCCCc1cc2C=C(C(=O)Oc2cc1O)c3csc(\C=C\c4ccccc4)n3"	0	NA	NA	1	1	NA	""
"766747"	"766747"	"mmv malaria box"	"COc1ccc(\C=C\2/SC(=NC2=O)Nc3ccccc3)cc1"	0	NA	NA	1	1	NA	""
"766749"	"766749"	"mmv malaria box"	"CN1C(=O)N(C)c2cc(CNCCNc3ccnc4cc(Cl)ccc34)ccc12"	0	NA	NA	1	1	NA	""
"766751"	"766751"	"mmv malaria box"	"CCOC(=O)C1=CN(C)C=C(C1c2cc(Br)c(OCC)c(OC)c2)C(=O)OCC"	0	NA	NA	1	1	NA	""
"766755"	"766755"	"mmv malaria box"	"Clc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4cc(NC(=O)c5ccc(Cl)cc5)ccc4[nH]3"	0	NA	NA	2	2	NA	""
"766757"	"766757"	"mmv malaria box"	"Nc1nc(Nc2cccc(F)c2)nc3ccccc13"	0	NA	NA	1	1	NA	""
"766761"	"766761"	"mmv malaria box"	"FC(F)(F)c1cc(nc2cc(nn12)C(=O)NC3CCN(Cc4ccccc4)CC3)c5ccc(Cl)s5"	0	NA	NA	1	1	NA	""
"766765"	"766765"	"mmv malaria box"	"CC(C)(C)c1ccc(cc1)C2CC(=C3C(N(C(=O)c4ccccc4Cl)c5ccccc5N=C3C2)c6ccc(F)cc6)O"	0	NA	NA	1	1	NA	""
"766767"	"766767"	"mmv malaria box"	"Oc1ccc(Br)cc1CN2CCN(Cc3ccc(Cl)cc3)CC2"	0	NA	NA	1	1	NA	""
"766769"	"766769"	"mmv malaria box"	"COc1cc2CCN(C)C3Cc4ccc(Oc5cc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4"	0	NA	NA	1	1	NA	""
"766775"	"766775"	"mmv malaria box"	"Cc1ccc(C)c(c1)c2csc(Nc3ccc(C)c(C)c3)n2"	0	NA	NA	1	1	NA	""
"766777"	"766777"	"mmv malaria box"	"COc1cc(cc(OC)c1O)c2nc(c3ccccc3)c([nH]2)c4ccccc4"	0	NA	NA	1	1	NA	""
"766780"	"766780"	"mmv malaria box"	"CCCCNc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1"	0	NA	NA	1	1	NA	""
"766782"	"766782"	"mmv malaria box"	"Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl"	0	NA	NA	1	1	NA	"4300430"
"766788"	"766788"	"mmv malaria box"	"OCCCCN1C(=O)c2ccc3C(=O)N(CCCCO)C(=O)c4ccc(C1=O)c2c34"	0	NA	NA	1	1	NA	""
"766790"	"766790"	"mmv malaria box"	"CCOc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1"	0	NA	NA	1	1	NA	""
"766807"	"766807"	"mmv malaria box"	"Cn1c(nc2ccccc12)C(=O)c3cccc4ccccc34"	0	NA	NA	1	1	NA	""
"766808"	"766808"	"mmv malaria box"	"CCc1ccc(CNCC(O)c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"766813"	"766813"	"(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-..."	"OC1CCC(CC1)N2C=Nc3c(C2=N)c(c4ccccc4)c(c5ccccc5)n3Cc6ccccc6"	0	NA	NA	2	2	NA	""
"766820"	"766820"	"LY-2228820"	"CC(C)(C)Cn1c(N)nc2ccc(nc12)c3nc([nH]c3c4ccc(F)cc4)C(C)(C)C"	0	"PK:MAPK14"	"Clinical trial"	1	1	NA	"862505008"
"766821"	"766821"	"BMS-911543"	"CCn1c(cc2c1nc(Nc3cc(C)n(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6"	0	"PK:JAK,JAK1,JAK2,JAK3"	"Clinical trial"	1	1	NA	"1271022902"
"766824"	"766824"	"CEP-14083"	"CCN1C(=O)CCCc2c(OC)c(Nc3ncc(Cl)c(NC4[C@@H]5C[C@@H](C=C5)[C@@H]4C(=O)N)n3)ccc12"	0	"PK:ALK"	"Clinical trial"	2	2	NA	"1022957125"
"766871"	"766871"	"2-(3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl..."	"OC(=O)c1ccccc1Nc2ccc3nnc(c4ccncc4)n3n2"	0	NA	NA	1	1	NA	""
"766905"	"766905"	"cyclopropane vinorelbine sulfate"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC"	0	NA	NA	2	2	NA	""
"766906"	"766906"	"MLN-2480"	"C[C@@H](NC(=O)c1ncnc(N)c1Cl)c2ncc(s2)C(=O)Nc3cc(c(Cl)cn3)C(F)(F)F"	0	"PK:BRAF,RAF,RAF1"	"Clinical trial"	2	2	NA	"1096708712"
"766907"	"766907"	"Ixazomib"	"CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O"	0	"PSM"	"FDA approved"	2	2	NA	"1072833772"
"766908"	"766908"	"PD 173074"	"CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3"	0	"PK:PDGFR,FGFR,SRC,VEGFR,FGFR1,FGFR3"	"Clinical trial"	2	2	NA	"219580117"
"766920"	"766920"	"(R)-4,11-dihydroxy-3-((pyrrolidin-3-ylamino)methyl)-1H-n..."	"Oc1c2C(=O)c3ccccc3C(=O)c2c(O)c4c(CN[C@@H]5CCCN5)c[nH]c14"	0	NA	NA	2	2	NA	""
"766921"	"766921"	"(S)-3-(3-aminopyrrolidine-1-carbonyl)-4,11-dihydroxy-2-m..."	"Cc1oc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c2c1C(=O)N5CC[C@@H](N)C5"	0	NA	NA	1	1	NA	""
"766922"	"766922"	"copper-elesclomol"	"CN(C(=S)c1ccccc1)[N-]2[Cu+2][N-](N(C)C(=S)c3ccccc3)C(=O)CC2=O"	0	NA	NA	2	2	NA	"1224195725"
"766927"	"766927"	"ethyl 9-(2-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4ccccc4OC"	0	NA	NA	1	1	NA	""
"766929"	"766929"	"ethyl 9-(3,4,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrol..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)c(OC)c(OC)c4"	0	NA	NA	2	2	NA	""
"766937"	"766937"	"ethyl 9-benzyl-7-chloro-4,5,6,9-tetrahydropyrrolo[2',3':..."	"CCOC(=O)c1c(Cl)c2CCCc3cnoc3c2n1Cc4ccccc4"	0	NA	NA	1	1	NA	""
"766939"	"766939"	"ethyl 7-chloro-9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydr..."	"CCOC(=O)c1c(Cl)c2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	NA	NA	2	2	NA	""
"766941"	"766941"	"7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5-e]..."	"Nc1nc2c(CCc3c(Br)n(Cc4ccccc4)c(Br)c23)s1"	0	NA	NA	1	1	NA	""
"766942"	"766942"	"6,8-dibromo-7-(4-methoxybenzyl)-5,7-dihydro-4H-[1,3]thia..."	"COc1ccc(Cn2c(Br)c3CCc4sc(N)nc4c3c2Br)cc1"	0	NA	NA	1	1	NA	""
"766946"	"766946"	"8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5..."	"COc1ccc(Cn2c(Br)c3c(CCc4sc(N)nc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	2	2	NA	""
"766949"	"766949"	"7-(phenylsulfonyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydr..."	"COc1cc(cc(OC)c1OC)c2c3CCc4sc(N)nc4c3cn2S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"766953"	"766953"	"N-(7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5..."	"Brc1c2CCc3sc(NC(=O)c4ccccc4)nc3c2c(Br)n1Cc5ccccc5"	0	NA	NA	1	1	NA	""
"766962"	"766962"	"N-[8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl..."	"COc1ccc(Cn2c(Br)c3c(CCc4sc(NC(=O)C)nc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	1	1	NA	""
"766977"	"766977"	"ethyl 9-(3-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cccc(OC)c4"	0	NA	NA	2	2	NA	""
"766978"	"766978"	"ethyl 9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrolo[..."	"CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4"	0	NA	NA	2	2	NA	""
"766991"	"766991"	"GSK-690693"	"CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	NA	"937174760"
"766992"	"766992"	"BAY 61-3606"	"COc1ccc(cc1OC)c2cc3nccn3c(Nc4ncccc4C(=O)N)n2"	0	"PK:SYK"	"Clinical trial"	2	1	NA	"732983378"
"767006"	"767006"	"AEW-541"	"Nc1ncnc2c1c(cn2[C@@H]3C[C@H](CN4CCC4)C3)c5cccc(OCc6ccccc6)c5"	0	"PK:YK,IGF1R"	"Clinical trial"	2	2	NA	"475489168"
"767019"	"767019"	"Silver Bis(NHC) Bromide"	"CN1C=CN(Cc2ccccc2)C1=[Ag+]=C3N(C)C=CN3Cc4ccccc4"	0	NA	NA	1	1	NA	""
"767048"	"767048"	"BMS-387032"	"CC(C)(C)c1oc(CSc2cnc(NC(=O)C3CCNCC3)s2)nc1"	0	"PK:CDK,CDK2,CDK7,CDK9"	"Clinical trial"	2	2	NA	"345627807"
"767063"	"767063"	"3-(1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-6..."	"Cc1cc(c(C)n1c2ccc(Cl)c(Cl)c2)c3nnc4CCCCCn34"	0	NA	NA	1	1	NA	""
"767067"	"767067"	"ltbr agonist mab"	""	0	NA	NA	2	2	NA	""
"767074"	"767074"	"(E)-6-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t..."	"Cc1nn2c(\C=C/3\C(=O)Nc4cc(Cl)ccc34)c(nc2s1)c5ccccc5"	0	NA	NA	1	1	NA	""
"767081"	"767081"	"5-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-6-(4-fluorophe..."	"Cc1nn2c(c3nc4cc(Cl)c(Cl)cc4[nH]3)c(nc2s1)c5ccc(F)cc5"	0	NA	NA	2	2	NA	""
"767123"	"767123"	"Saridegib"	"C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6CC(CC[C@]6(C)[C@H]5CC4=C(C)C3)NS(=O)(=O)C)[C@@H]2C"	0	"SMO"	"Clinical trial"	2	1	NA	"1037210937"
"767124"	"767124"	"Enzastaurin"	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7ccccc17"	0	"PK:PRKCA,STK,PIK3,AKT"	"Clinical trial"	2	2	NA	"170364575"
"767125"	"767125"	"BMN-673"	"Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5"	0	"PARP1|PARP2"	"FDA approved"	3	3	NA	"1207456016"
"767128"	"767128"	"Birinapant"	"CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc2c([nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[C@@H]6C[C@H](O)CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC"	0	"IAP"	"Clinical trial"	2	2	NA	"1260251317"
"767160"	"767160"	""	"COC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=S)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"767161"	"767161"	""	"COC(=O)[C@H]1CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=S)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"767162"	"767162"	"ncgc00241410-01"	"Clc1ccc2ncc(c3cccc(NC4CNC4)n3)n2c1"	0	NA	NA	1	1	NA	"1044733370"
"767163"	"767163"	"ncgc00262376-01"	"C1C[C@H](CN1)Nc2cccc(n2)c3cnc4ccc(cn34)c5cn[nH]c5"	0	NA	NA	2	2	NA	""
"767188"	"767188"	"stk440742"	"CCOC(=O)Nc1nc2ccc(OCC)cc2s1"	0	NA	NA	2	2	NA	""
"767189"	"767189"	"AZD-2014"	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1009298592"
"767191"	"767191"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767193"	"767193"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc4ccccc4c3)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767194"	"767194"	""	"COc1ccc(cc1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	1	NA	""
"767195"	"767195"	""	"COc1ccc2c(cn(C)c2c1)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	NA	""
"767196"	"767196"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccsc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767197"	"767197"	""	"CSc1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	2	NA	""
"767199"	"767199"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccc(N)cc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767200"	"767200"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc(N)cc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767202"	"767202"	""	"CS(=O)c1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	1	NA	""
"767203"	"767203"	""	"CC(=O)Nc1ccc2c(c1)c(cn2C)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	NA	""
"767206"	"767206"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(N)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767207"	"767207"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(c3)[N+](=O)[O-])c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767211"	"767211"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4c(N)cccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767213"	"767213"	""	"Cc1ccc2c(c1)c(cn2C)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	NA	""
"767214"	"767214"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(N)ccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767215"	"767215"	""	"Cc1cccc2c(cn(C)c12)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	NA	""
"767217"	"767217"	""	"CC(=O)Nc1ccc2c(cn(C)c2c1)C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45"	0	"PK:Not Available"	""	2	2	NA	""
"767218"	"767218"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(Cl)ccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767219"	"767219"	""	"Cc1ccccc1C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	NA	""
"767220"	"767220"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccc(Cl)cc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	NA	""
"767221"	"767221"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(Br)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767222"	"767222"	""	"Cc1ccc(C)c(c1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	NA	""
"767224"	"767224"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccccc3[N+](=O)[O-])c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767225"	"767225"	""	"Cc1c(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc5n1C"	0	"PK:Not Available"	""	2	2	NA	""
"767226"	"767226"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767227"	"767227"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767228"	"767228"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccnc3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767229"	"767229"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	NA	""
"767230"	"767230"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCO)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	NA	""
"767231"	"767231"	""	"CNCCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767232"	"767232"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCN)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767236"	"767236"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCN\C(=N/[N+](=O)[O-])\N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767237"	"767237"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767238"	"767238"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767239"	"767239"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCNC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767240"	"767240"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CNCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767242"	"767242"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)CCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767243"	"767243"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCSC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	NA	""
"767244"	"767244"	""	"CCCn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767246"	"767246"	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	1	NA	""
"767247"	"767247"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CC(CN)Cn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767248"	"767248"	""	"CNCC1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26"	0	"PK:Not Available"	""	2	1	NA	""
"767249"	"767249"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCCC(=N)N)c4ccccc34)c5ccccc15"	0	"PK:Not Available"	""	2	1	NA	""
"767250"	"767250"	""	"[O-][N+](=O)c1ccc2Nc3n[nH]cc3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	NA	""
"767252"	"767252"	""	"Fc1ccc2NC(=O)\C(=C/c3ccc[nH]3)\c2c1"	0	"PK:Not Available"	""	2	2	NA	""
"767253"	"767253"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccccc23"	0	"PK:Not Available"	""	2	2	NA	""
"767254"	"767254"	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	2	NA	""
"767255"	"767255"	""	"CC(C)c1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	2	NA	""
"767256"	"767256"	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4F)C#N"	0	"PK:Not Available"	""	2	2	NA	""
"767257"	"767257"	""	"COc1ccc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	NA	""
"767258"	"767258"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(I)c23"	0	"PK:Not Available"	""	2	1	NA	""
"767259"	"767259"	""	"CNCC#Cc1c(F)ccc2NC(=O)\C(=C/c3[nH]ccc3OC)\c12"	0	"PK:Not Available"	""	2	2	NA	""
"767260"	"767260"	""	"CC(=O)Nc1ccc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2c1"	0	"PK:Not Available"	""	2	2	NA	""
"767261"	"767261"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#CC4(O)CCOCC4)c23"	0	"PK:Not Available"	""	2	2	NA	""
"767262"	"767262"	""	"Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4F)C(=O)N"	0	"PK:Not Available"	""	2	2	NA	""
"767263"	"767263"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#CC4(O)CCNCC4)c23"	0	"PK:Not Available"	""	2	2	NA	""
"767264"	"767264"	""	"CN[C@@H](CO)C#Cc1c(F)ccc2NC(=O)\C(=C/c3[nH]ccc3OC)\c12"	0	"PK:Not Available"	""	2	2	NA	""
"767265"	"767265"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c23"	0	"PK:Not Available"	""	2	2	NA	""
"767268"	"767268"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4ncccc34)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767271"	"767271"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCCCCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767272"	"767272"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cn(C)c4cc(ccc34)C(=O)N)c5ccccc15"	0	"PK:Not Available"	""	2	2	NA	""
"767274"	"767274"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CCC(CN)CCn4c5ccccc35)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767275"	"767275"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3c4CN(CCn4c5ccccc35)C(=S)N)c6ccccc16"	0	"PK:Not Available"	""	2	2	NA	""
"767276"	"767276"	""	"CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c5cn(C)c6ccccc56)c7ccccc7n3C[C@H]2C1"	0	"PK:Not Available"	""	2	1	NA	""
"767287"	"767287"	""	"COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)c1F"	0	"PK:Not Available"	""	2	2	NA	""
"767288"	"767288"	""	"CN(C)C[C@H]1CCn2c(C1)c(C3=C(C(=O)NC3=O)c4cn(C)c5ccccc45)c6ccccc26"	0	"PK:Not Available"	""	2	1	NA	""
"767289"	"767289"	""	"CN1C[C@@H]2Cc3c(C4=C(C(=O)NC4=O)c5cn(C)c6ccccc56)c7ccccc7n3C[C@H]2C1"	0	"PK:Not Available"	""	2	2	NA	""
"767290"	"767290"	""	"OCCOc1cc(c2ccc[nH]2)c3C(=O)Nc4ccc(F)c1c34"	0	"PK:Not Available"	""	2	2	NA	""
"767291"	"767291"	""	"COc1cc[nH]c1\C=C\2/C(=O)Nc3ccc(c(N4CC[C@@H](O)C4)c23)[N+](=O)[O-]"	0	"PK:Not Available"	""	2	1	NA	""
"767292"	"767292"	""	"CN1CCN(CC1)c2ccc(Nc3nc(N)c(s3)C(=O)c4ccc5OCCOc5c4)cc2"	0	"PK:Not Available"	""	2	2	NA	""
"767293"	"767293"	""	"COc1cccc(c1)C(=O)c2sc(Nc3ccc(cc3)N4CCN(CC4)C(C)C)nc2N"	0	"PK:Not Available"	""	2	1	NA	""
"767299"	"767299"	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(c3)C#CCN4CCOCC4"	0	"PK:Not Available"	""	2	1	NA	""
"767304"	"767304"	""	"Fc1ccc(cc1)c2c([nH]c3cccnc23)c4ccncc4"	0	"PK:Not Available"	""	2	1	NA	""
"767307"	"767307"	""	"Fc1ccc(cc1)c2c(c3ccncc3)n(CCN4CCOCC4)c5cccnc25"	0	"PK:Not Available"	""	2	1	NA	""
"767309"	"767309"	""	"Cc1nn(c(O)c1C(=O)c2ccccc2)c3ccccc3"	0	"PK:Not Available"	""	2	1	NA	""
"767317"	"767317"	""	"Nc1c(cnn1c2ccc(F)cc2F)C(=O)c3cccc(c3)c4cccnc4"	0	"PK:Not Available"	""	2	2	NA	""
"767318"	"767318"	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(c3)c4ccncc4"	0	"PK:Not Available"	""	2	1	NA	""
"767320"	"767320"	""	"Nc1c(cnn1c2ccc(F)cc2F)C(=O)c3cccc(c3)c4ccncc4"	0	"PK:Not Available"	""	2	2	NA	""
"767327"	"767327"	""	"Nc1c(cnn1c2ccc(F)cc2)C(=O)c3ccc(cc3)c4cccnc4"	0	"PK:Not Available"	""	2	1	NA	""
"767329"	"767329"	""	"C[C@H](O)CNc1cc(ccn1)c2[nH]c3cccnc3c2c4ccc(F)cc4"	0	"PK:Not Available"	""	2	1	NA	""
"767330"	"767330"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(OC[C@@H](O)CO)c3)c4ccccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767331"	"767331"	""	"COc1ccc(cc1OC)C2=C(C(=O)NC2=O)c3cn(C)c4ccccc34"	0	"PK:Not Available"	""	2	2	NA	""
"767332"	"767332"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3ccc(OC[C@@H](O)CO)cc3)c4ccccc14"	0	"PK:Not Available"	""	2	1	NA	""
"767337"	"767337"	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4cccc(OC)c34"	0	"PK:Not Available"	""	2	2	NA	""
"767339"	"767339"	""	"COc1cccc(c1)C2=C(C(=O)NC2=O)c3cn(C)c4c(C)cccc34"	0	"PK:Not Available"	""	2	1	NA	""
"767344"	"767344"	""	"Cn1cc(C2=C(C(=O)NC2=O)c3cccc(NCC(O)CO)c3)c4cc(Cl)ccc14"	0	"PK:Not Available"	""	2	2	NA	""
"767346"	"767346"	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4cccc(F)c4"	0	"PK:Not Available"	""	2	1	NA	""
"767347"	"767347"	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccccc4F"	0	"PK:Not Available"	""	2	1	NA	""
"767348"	"767348"	""	"CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	2	NA	""
"767352"	"767352"	""	"CN1C(=O)C(=Cc2cnc(N[C@@H]3CC[C@@H](O)CC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	NA	""
"767361"	"767361"	""	"Cc1cc(C)c2c(n1)sc3c(N)ncnc23"	0	"PK:Not Available"	""	2	1	NA	""
"767364"	"767364"	""	"COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@H]3CCCNC[C@@H]3NC(=O)c4ccncc4)c1F"	0	"PK:Not Available"	""	2	2	NA	""
"767365"	"767365"	""	"COc1ccc(cc1)N2Cc3cnc(Nc4ccccc4)nc3N([C@@H]5CC[C@@H](O)C5)C2=O"	0	"PK:Not Available"	""	2	2	NA	""
"767366"	"767366"	""	"Fc1ccc(OC2=Cc3cnc(NC4CCOCC4)nc3N(C5CC5)C2=O)c(F)c1"	0	"PK:Not Available"	""	2	2	NA	""
"767367"	"767367"	""	"O=C1N=C(NCc2ccccc2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	2	NA	""
"767369"	"767369"	""	"O=C1N=C(Nc2ccccc2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	2	NA	""
"767373"	"767373"	""	"Clc1ccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)cc1"	0	"PK:Not Available"	""	2	1	NA	""
"767374"	"767374"	""	"Fc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767375"	"767375"	""	"Clc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767376"	"767376"	""	"CCOc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767378"	"767378"	""	"COc1ccccc1CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	1	NA	""
"767380"	"767380"	""	"Clc1ccccc1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767381"	"767381"	""	"Brc1ccccc1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767384"	"767384"	""	"Fc1cccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)c1"	0	"PK:Not Available"	""	2	2	NA	""
"767385"	"767385"	""	"O=C1N=C(NCCc2ccccn2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	NA	""
"767386"	"767386"	""	"O=C1N=C(NCCc2cccs2)S/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	NA	""
"767387"	"767387"	""	"Clc1cccc(CCNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2)c1"	0	"PK:Not Available"	""	2	2	NA	""
"767389"	"767389"	""	"OCC(Cc1ccccc1)NC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	2	NA	""
"767390"	"767390"	""	"COc1ccccc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	NA	""
"767391"	"767391"	""	"COc1ccc(F)cc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	NA	""
"767392"	"767392"	""	"OC[C@H](NC1=NC(=O)\C(=C\c2ccc3ncccc3c2)\S1)c4ccccc4"	0	"PK:Not Available"	""	2	1	NA	""
"767395"	"767395"	""	"COc1cc(F)c(F)cc1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	1	NA	""
"767398"	"767398"	""	"Clc1cccc(Cl)c1CNC2=NC(=O)\C(=C\c3ccc4ncccc4c3)\S2"	0	"PK:Not Available"	""	2	1	NA	""
"767399"	"767399"	""	"COc1cc(F)c(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	NA	""
"767400"	"767400"	""	"COc1cccc(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:Not Available"	""	2	2	NA	""
"767401"	"767401"	""	"O=C1NC(=O)\C(=C\c2ccc3ncccc3c2)\S1"	0	"PK:Not Available"	""	2	2	NA	""
"767404"	"767404"	""	"O=C1N=C(NCc2cccs2)O/C/1=C\c3ccc4ncccc4c3"	0	"PK:Not Available"	""	2	1	NA	""
"767408"	"767408"	""	"CS(=O)(=O)N1CCC(CC1)Nc2ncc(C(=O)c3c(F)cccc3F)c(N)n2"	0	"PK:Not Available"	""	2	1	NA	""
"767409"	"767409"	""	"OC[C@@H](NC1=NC(=O)\C(=C\c2ccc3ncccc3c2)\S1)c4ccccc4"	0	"PK:Not Available"	""	2	2	NA	""
"767411"	"767411"	""	"CS(=O)(=O)CCN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	NA	""
"767416"	"767416"	""	"CN1C(=O)C(=Cc2cnc(NC3CCN(CC3)C(=O)C)nc12)Oc4ccc(F)cc4F"	0	"PK:Not Available"	""	2	1	NA	""
"767420"	"767420"	""	"CC([C@H](N1C(=O)N[C@@H](C1=O)c2ccc(OC[C@H](O)CO)cc2)C(=O)Nc3ccc(I)cc3F)c4ccccc4"	0	"PK:Not Available"	""	2	2	NA	""
"767441"	"767441"	"Copper(II) terephthalate 1,10-phenanthroline"	"CCO.[O-]C(=O)c1ccc(cc1)C(=O)[O-].O2=C([O-][Cu+2]234([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccc(cc%11)C%12=O[Cu+2]%13%14([O-]%12)([n+]%15cccc%16ccc%17ccc[n+]%13c%17c%15%16)[n+]%18cccc%19ccc%20ccc[n+]%14c%20c%18%19"	0	NA	NA	2	1	NA	""
"767442"	"767442"	"Copper(II) ocetanedioate 1,10-phenanthroline perchlorate"	"CCO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(CCCC1=O[Cu+2]23([O-]1)([n+]4cccc5ccc6ccc[n+]2c6c45)[n+]7cccc8ccc9ccc[n+]3c9c78)CCC%10=O[Cu+2]%11%12([O-]%10)([n+]%13cccc%14ccc%15ccc[n+]%11c%15c%13%14)[n+]%16cccc%17ccc%18ccc[n+]%12c%18c%16%17"	0	NA	NA	2	1	NA	""
"767443"	"767443"	"Copper(II) phthalate 1,10-phenanthroline"	"O=C1[O-][Cu+2]2([O-]C(=O)c3ccccc13)[n+]4cccc5ccc6ccc[n+]2c6c45"	0	NA	NA	1	1	NA	""
"767470"	"767470"	"MLN-0905"	"CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(ccc4c3n2)C(F)(F)F)c1"	0	"PK:PLK1"	"Clinical trial"	2	2	NA	"1228960697"
"767478"	"767478"	""	"[Cl-][Ag+][C-]1=[N+](C=CN1c2c(C)cc(C)cc2C)c3c(C)cc(C)cc3C"	0	NA	NA	2	1	NA	""
"767483"	"767483"	""	"CCCCCN(CCCCC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN"	0	NA	NA	1	1	NA	""
"767490"	"767490"	"3-(2-phenyl-2-((5-phenyl-1,3,4-thiadiazol-2-yl)imino)eth..."	"O=C1Nc2ccccc2/C/1=C/C(=N/c3nnc(s3)c4ccccc4)/c5ccccc5"	0	NA	NA	2	1	NA	""
"767491"	"767491"	"5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one"	"O=C1Nc2ccccc2C13CC(=NN3)c4ccccc4"	0	NA	NA	1	1	NA	""
"767494"	"767494"	"5-bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyraz..."	"Brc1ccc2NC(=O)C3(CC(=NN3)c4ccccc4)c2c1"	0	NA	NA	1	1	NA	""
"767496"	"767496"	"(Z)-3-((Z)-2-((5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)..."	"Clc1ccc(cc1)c2nnc(\N=C(\C=C\3/C(=O)Nc4ccccc34)/c5ccccc5)s2"	0	NA	NA	2	1	NA	""
"767513"	"767513"	""	"COc1ccc(\C=C\2/N=C3SC=C(N)N3C2=O)cc1"	0	NA	NA	2	1	NA	""
"767570"	"767570"	""	"Clc1ccc(\C=C\2/CN(C\C(=C/c3ccc(Cl)cc3Cl)\C2=O)S(=O)(=O)c4ccccc4)c(Cl)c1"	0	NA	NA	2	2	NA	""
"767593"	"767593"	"reshimunne"	""	0	NA	NA	2	2	NA	""
"767598"	"767598"	"Momelotinib"	"O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	"PK:JAK,JAK1,JAK2,JAK3"	"Clinical trial"	2	2	NA	"1056634684"
"767599"	"767599"	"I-BET-151"	"COc1cc2c3N([C@H](C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C"	0	"BRD"	"Clinical trial"	2	2	NA	"1300031495"
"767600"	"767600"	"Fedratinib"	"Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C"	0	"PK:FLT,JAK,FLT3,JAK2,RET"	"FDA approved"	1	1	NA	"936091268"
"767601"	"767601"	"VX-944"	"CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(c(OC)c2)c3ocnc3)c1"	0	"IMPDH2|IMPDH1|IMPDH"	"Clinical trial"	2	2	NA	"297730177"
"767642"	"767642"	""	"COc1ccc(cc1)c2c3c(N)nc(nc3nc4c2c(C)nn4c5ccccc5)c6ccncc6"	0	NA	NA	1	1	NA	""
"767647"	"767647"	""	"Cc1ccc(cc1)c2c3c(N)nc(nc3nc4c2c(C)nn4c5ccccc5)c6ccncc6"	0	NA	NA	1	1	NA	""
"767650"	"767650"	""	"CSC1=Nc2nc3C(=O)c4ccccc4C(=O)c3nc2C(=O)N1C"	0	NA	NA	2	2	NA	""
"767658"	"767658"	""	"Cc1ccc(cc1)c2c3c(N)c4CCCc4nc3nc5c2c(C)nn5c6ccccc6"	0	NA	NA	2	2	NA	""
"767745"	"767745"	"Pelitrexol"	"Cc1cc(sc1CC[C@@H]2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	NA	"446022339"
"767746"	"767746"	"ADW-742"	"Nc1ncnc2c1c(cn2[C@@H]3C[C@@H](CN4CCCC4)C3)c5cccc(OCc6ccccc6)c5"	0	"PK:IGF1R,KIT"	"Clinical trial"	2	2	NA	"475488234"
"767769"	"767769"	"2-[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-[1,2,4]triazol-3-..."	"COc1ccc(cc1OC)c2nnc(SCC(=O)Nc3ccc(cc3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)n2c5ccccc5"	0	NA	NA	1	1	NA	""
"767772"	"767772"	""	"COc1cc2CCN(C(CC3(O)CCCCC3)c2cc1OC)S(=O)(=O)c4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"767776"	"767776"	""	"CC#Cc1nc(Nc2cc(C)[nH]n2)c3ccccc3n1"	0	NA	NA	2	1	NA	""
"767781"	"767781"	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2Oc3ccc(Cl)cc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	2	NA	""
"767783"	"767783"	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2Oc3ccc(OC)cc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	1	NA	""
"767784"	"767784"	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2OCc3ccccc3)c4ccc[nH]4)\N=C1C"	0	NA	NA	2	2	NA	""
"767826"	"767826"	""	"CCC(C)[C@H](NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](Cc2cn(C)cn2)C(=O)OC"	0	NA	NA	2	1	NA	""
"767838"	"767838"	"6-Nitro-2-(3-chloropropyl)-1H-benz[de]isoquinoline-1,3-d..."	"[O-][N+](=O)c1ccc2C(=O)N(CCCCl)C(=O)c3cccc1c23"	0	NA	NA	1	1	NA	""
"767874"	"767874"	"4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol"	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccccc3Cl"	0	NA	NA	1	1	NA	""
"767897"	"767897"	"BPR1J-097"	"CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)c4cccc(NS(=O)(=O)c5ccccc5)c4"	0	"PK:FLT,FLT3"	"Clinical trial"	2	2	NA	"1327167190"
"767898"	"767898"	"Ipatasertib"	"CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	NA	"1001264896"
"767951"	"767951"	"GSK-1904529A"	"CCc1cc(Nc2nccc(n2)c3c(nc4ccccn34)c5ccc(OC)c(c5)C(=O)Nc6c(F)cccc6F)c(OC)cc1N7CCC(CC7)N8CCN(CC8)S(=O)(=O)C"	0	"PK:IGF1R"	"Clinical trial"	1	1	NA	"1089283497"
"767952"	"767952"	"Rocilinostat"	"ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3"	0	"HDAC"	"Clinical trial"	1	1	NA	"1316214524"
"767953"	"767953"	"R-1530"	"COc1cc2Nc3n[nH]c(C)c3N=C(c4ccccc4Cl)c2cc1F"	0	"PK:PDGFR,CDK,FGFR,VEGFR,KDR,Multikinase"	"Clinical trial"	1	1	NA	"882531875"
"767954"	"767954"	"EMD-1204831"	"Cn1cc(cn1)C2=NN(Cc3cccc(c3)c4ncc(OCCN5CCOCC5)cn4)C(=O)C=C2"	0	"PK:MET"	"Clinical trial"	2	2	NA	"1100598159"
"767972"	"767972"	""	"Nc1c(C#N)c2CCCCn2c1C(=O)c3ccc4OCCOc4c3"	0	NA	NA	2	2	NA	""
"767978"	"767978"	""	"COc1ccc(cc1)c2noc(N)c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"767979"	"767979"	""	"COc1ccc(cc1)c2[nH]nc(N)c2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"767980"	"767980"	""	"COc1ccc(cc1)c2[nH]nnc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"767985"	"767985"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc5OCOc5c4"	0	NA	NA	1	1	NA	""
"767986"	"767986"	""	"COc1ccc(cc1)c2cnnn2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"767991"	"767991"	""	"COc1ccc(cc1OC)c2cnnn2c3nonc3n4cccc4"	0	NA	NA	1	1	NA	""
"768002"	"768002"	""	"COc1cccc(c1)C2C(=C(N)Oc3cc(OC)ccc23)C#N"	0	NA	NA	2	2	NA	""
"768003"	"768003"	""	"COc1ccc(cc1)c2nc([nH]c2c3ccc(OC)cc3)c4cc(OC)cc(OC)c4"	0	NA	NA	1	1	NA	""
"768012"	"768012"	""	"CCN(Cc1c(F)cccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768013"	"768013"	""	"CCN(Cc1c(Cl)cccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768014"	"768014"	""	"CCN(Cc1c(F)cccc1C(F)(F)F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768015"	"768015"	""	"CCN(Cc1c(F)cccc1OC)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768016"	"768016"	""	"OCc1ccc(cc1Cl)N2CCC2c3ccc(F)cc3"	0	NA	NA	2	2	NA	""
"768017"	"768017"	""	"OCc1ccc(cc1Cl)N2CCCC2c3ccccc3"	0	NA	NA	2	2	NA	""
"768018"	"768018"	""	"CCN(Cc1ccccc1C)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768019"	"768019"	""	"CCN(Cc1ccccc1Cl)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768020"	"768020"	""	"CCN(Cc1ccccc1F)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768021"	"768021"	""	"CCN(Cc1ccccc1OC)c2ccc(CO)c(Cl)c2"	0	NA	NA	2	2	NA	""
"768022"	"768022"	""	"CCN(C(C)c1ccc(F)cc1)c2ccc(CO)c(Cl)c2"	0	NA	NA	1	1	NA	""
"768023"	"768023"	""	"OCc1ccc(cc1Cl)N2CCc3ccccc3C2"	0	NA	NA	2	2	NA	""
"768025"	"768025"	""	"OCc1ccc(cc1Cl)N2CCc3cccc(F)c3C2"	0	NA	NA	2	2	NA	""
"768051"	"768051"	""	"FC(F)(F)c1ccc(cc1)c2cnc(nc2NC3CCCCCC3)C#N"	0	NA	NA	1	1	NA	""
"768068"	"768068"	"Cobimetinib (isomer 1)"	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	NA	"934660932"
"768069"	"768069"	"Cobimetinib (isomer 1)"	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@H]4CCCCN4"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	NA	""
"768070"	"768070"	"enantiomer of PF-4176340"	"CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12"	0	"PK:AKT"	"Clinical trial"	2	2	NA	"1004990286"
"768072"	"768072"	"TAK-960"	"COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc3ncc4N(C)C(=O)C(F)(F)CN(C5CCCC5)c4n3"	0	"PK:PLK1"	"Clinical trial"	2	2	NA	"1137868520"
"768073"	"768073"	"LY-2835219"	"CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)CC1"	0	"PK:PIM1,CDK,CDK4,CDK6"	"FDA approved"	2	2	NA	"1231929977"
"768093"	"768093"	"1,3-diphenylbenzo[e]-[1,2,4]triazin-7(1H)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccc3)c4ccccc4"	0	NA	NA	2	2	NA	""
"768098"	"768098"	"stk066211"	"O=C(COc1ccccc1)NNc2ccccc2"	0	NA	NA	3	3	NA	""
"768100"	"768100"	"SAR-245409"	"COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(NC(=O)c5ccc(C)c(OC)c5)cc4)cc(OC)c1"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"1123889871"
"768102"	"768102"	"Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-..."	"COc1cc(OC)c2C(=O)[C@]3(Oc2c1Cl)[C@H](C)CC(=O)C=C3OCc4ccccc4"	0	NA	NA	1	1	NA	"888042135"
"768112"	"768112"	"SAR-402674"	"CNCCN1C(=O)c2cc(OC)c(OC)cc2c3cnc4cc5OCOc5cc4c13"	0	"TOP1"	"Clinical trial"	2	2	NA	"529488286"
"768123"	"768123"	"2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin..."	"COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2"	0	NA	NA	2	2	NA	""
"768124"	"768124"	""	"COc1ccc(CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(C)onc5C)cc1"	0	NA	NA	1	1	NA	""
"768126"	"768126"	""	"CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(NS(=O)(=O)C)c3"	0	NA	NA	1	1	NA	""
"768136"	"768136"	"(S)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid..."	"COc1cc2nc(nc(N)c2cc1OC)N3CCC[C@H](C3)NC4=CC(=O)c5ccccc5C4=O"	0	NA	NA	1	1	NA	""
"768137"	"768137"	"(R)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid..."	"COc1cc2nc(nc(N)c2cc1OC)N3CCC[C@@H](C3)NC4=CC(=O)c5ccccc5C4=O"	0	NA	NA	2	2	NA	""
"768313"	"768313"	"3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie..."	"COc1cccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c1"	0	NA	NA	2	2	NA	""
"768314"	"768314"	"3-amino-N-(3-bromophenyl)-5-oxo-5,6,7,8-tetrahydrothieno..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"768400"	"768400"	"2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[..."	"COc1cc(cc(OC)c1OC)c2cc([nH]n2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	NA	""
"768407"	"768407"	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(4-methoxyphenyl)-1H-py..."	"COc1ccc(cc1)c2cc(\C=C\C(=O)c3ccc(OC)c(OC)c3)[nH]n2"	0	NA	NA	1	1	NA	""
"768410"	"768410"	"2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluor..."	"Fc1ccc2[nH]c(nc2c1)c3cc(n[nH]3)c4ccc5OCOc5c4"	0	NA	NA	2	2	NA	""
"768465"	"768465"	""	"CCOC(=O)c1ccc2c(c1)nc(\C=C\c3ccc(Cl)cc3)n2c4cc([nH]n4)C(C)(C)C"	0	NA	NA	1	1	NA	""
"768473"	"768473"	""	"Clc1ccc(\C=C\C(=O)\C=C\C2=Cc3ccccc3NC2=O)cc1"	0	NA	NA	1	1	NA	""
"768488"	"768488"	""	"COc1ccc(cc1)N(Cc2cc(OC)c(OC)c(OC)c2)C3OC(=O)c4ccccc34"	0	NA	NA	2	2	NA	""
"768508"	"768508"	"GSK-2636771"	"Cc1c(Cn2c(C)nc3c(cc(cc23)N4CCOCC4)C(=O)O)cccc1C(F)(F)F"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1372540254"
"768509"	"768509"	"SNX-5422"	"CC1(C)CC(=O)c2c(C1)n(nc2C(F)(F)F)c3ccc(C(=O)N)c(N[C@@H]4CC[C@H](CC4)OC(=O)CN)c3"	0	"HSP90"	"Clinical trial"	2	2	NA	"908115275"
"768539"	"768539"	"IDH1-Comp 301"	"Cc1ccccc1C(N(C(=O)CNc2ncccc2F)c3cccc(F)c3)C(=O)NC4CCCCC4"	0	"IDH1"	"Clinical trial"	1	1	NA	"1355324876"
"768557"	"768557"	""	"Cc1ccn2c(c(C)nc2c1)c3csc(Nc4cccc(O)c4)n3"	0	NA	NA	2	2	NA	""
"768562"	"768562"	""	"NC1=C(C#N)C(c2cccs2)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	NA	""
"768565"	"768565"	""	"COc1ccc(cc1)c2cnoc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	1	NA	""
"768567"	"768567"	""	"COc1c(OC)c(cc2OCOc12)C3CC(=O)Nc4c3cnn4Cc5occc5"	0	NA	NA	2	1	NA	""
"768570"	"768570"	""	"COc1cc(cc(OC)c1OC)C2CC(=O)c3c(C)nn(c3C2)c4nc5ccccc5[nH]4"	0	NA	NA	1	1	NA	""
"768571"	"768571"	""	"COc1ccc(cc1)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	NA	""
"768572"	"768572"	""	"Cc1nn(c2NC(=O)CC(c3ccc4OCOc4c3)c12)c5nc6ccccc6[nH]5"	0	NA	NA	2	2	NA	""
"768573"	"768573"	""	"COc1ccc(cc1OC)C(=O)c2sc3nc(ccc3c2N)c4ccccc4OC"	0	NA	NA	1	1	NA	""
"768574"	"768574"	""	"COc1ccc(cc1OC)C(=O)c2sc3nc4CCCCc4cc3c2N"	0	NA	NA	1	1	NA	""
"768584"	"768584"	""	"COc1cccc(C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4)c1OC"	0	NA	NA	2	2	NA	""
"768585"	"768585"	""	"COc1ccc(cc1OC)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	NA	""
"768586"	"768586"	""	"Cc1ccc(C(=O)c2sc3nc4CCCCc4cc3c2N)c(C)c1"	0	NA	NA	2	2	NA	""
"768587"	"768587"	""	"COc1ccc(OC)c(c1)C(=O)c2oc3ccc(Br)cc3c2N"	0	NA	NA	2	2	NA	""
"768591"	"768591"	""	"COc1ccc(cc1)c2cn[nH]c2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"768592"	"768592"	""	"COc1ccc(cc1)c2oncc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"768593"	"768593"	"CEP-9722"	"COc1cccc2[nH]c3c4CCCc4c5C(=O)N(CN6CCN(C)CC6)C(=O)c5c3c12"	0	"PARP1"	"Clinical trial"	1	1	NA	"916574839"
"768600"	"768600"	"(E)-1-(4-methoxyphenyl)-3-(4-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)C(=O)\C=C\c2ccc(\C=C\c3cc(OC)c(OC)c(OC)c3)cc2"	0	NA	NA	1	1	NA	""
"768637"	"768637"	"(R)-2-chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfon..."	"CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)NCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)c(Cl)c2)c5ncn(C(C)C)c5n1"	0	NA	NA	2	2	NA	""
"768649"	"768649"	"2-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)-7-(3-(..."	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCNCCCCNCCCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	2	NA	""
"771426"	"771426"	"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-cyclopropyl-4,5..."	"COc1ccc(cc1OC2CCCC2)c3nc(c4ccccc4)c(c5ccccc5)n3C6CC6"	0	NA	NA	1	1	NA	""
"771434"	"771434"	"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-4,5-diphenyl-1H-i..."	"COc1ccc(cc1OC2CCCC2)c3nc(c4ccccc4)c([nH]3)c5ccccc5"	0	NA	NA	1	1	NA	""
"771442"	"771442"	""	"COC1=NC2=C(C(C=C(N2)c3ccc(OC)cc3)c4ccc(Oc5ccnc6cc(Cl)ccc56)c(OC)c4)C(=O)N1"	0	NA	NA	1	1	NA	""
"771458"	"771458"	""	"COc1ccc(cc1)C2=NNC(C2)c3sc(Cl)nc3Cl"	0	NA	NA	1	1	NA	""
"771480"	"771480"	""	"COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c3ccc(C)cc3"	0	NA	NA	1	1	NA	""
"771483"	"771483"	""	"COc1cc(ccc1Oc2ccnc3cc(Cl)ccc23)c4cc(nc5N=C(N)NC(=O)c45)c6cc(OC)c(OC)c(OC)c6"	0	NA	NA	1	1	NA	""
"771508"	"771508"	""	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"771512"	"771512"	""	"COc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"771516"	"771516"	""	"Oc1cc(Cl)cc(c1)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"771531"	"771531"	"RG-7112"	"CCOc1cc(ccc1C2=N[C@@](C)(c3ccc(Cl)cc3)[C@](C)(N2C(=O)N4CCN(CCS(=O)(=O)C)CC4)c5ccc(Cl)cc5)C(C)(C)C"	0	"MDM2"	"Clinical trial"	2	2	NA	""
"771532"	"771532"	"GDC-0349"	"CCNC(=O)Nc1ccc(cc1)c2nc3CN(CCc3c(n2)N4CCOC[C@@H]4C)C5COC5"	0	"PK:MTOR,PIM3"	"Clinical trial"	2	2	NA	"1207360891"
"771536"	"771536"	"3-amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	NA	""
"771538"	"771538"	"3-amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro..."	"COc1cccc(NC(=O)c2sc3nc4CCCC(O)c4cc3c2N)c1"	0	NA	NA	2	2	NA	""
"771539"	"771539"	"3-amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydroth..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"771540"	"771540"	"3-amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrot..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	2	2	NA	""
"771546"	"771546"	"3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah..."	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	NA	""
"771550"	"771550"	"3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothie..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	NA	""
"771556"	"771556"	"3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie..."	"COc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	1	1	NA	""
"771557"	"771557"	"3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(F)c4"	0	NA	NA	2	2	NA	""
"771558"	"771558"	"3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccc4Cl"	0	NA	NA	2	2	NA	""
"771559"	"771559"	"3-AMINO-N-PHENYL-5,6,7,8-TETRAHYDROTHIENO(2,3-B)QUINOLIN..."	"Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	NA	""
"771562"	"771562"	""	"CC1N(CCc2ccccc12)c3ccc(CO)c(Cl)c3"	0	NA	NA	2	2	NA	""
"771598"	"771598"	""	"NCCCOc1cc2ccccc2cc1C(=O)NCCOc3nc4ccccc4cc3C(=O)Nc5ccc(Cl)cc5O"	0	NA	NA	2	2	NA	""
"771644"	"771644"	"ARQ-621"	"NCCCN([C@H](CC#C)C1=Nc2cc(Cl)ccc2C(=O)N1Nc3ccccc3)C(=O)c4cccc(Cl)c4F"	0	"CDH16|KIF11"	"Clinical trial"	2	2	NA	""
"771650"	"771650"	"AT-13148"	"NC[C@@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3cn[nH]c3"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	3	3	NA	""
"771651"	"771651"	"VX-322"	"Nc1nc(Nc2ccc(cc2)[C@@H]3CC[C@H](CC3)N4CCOCC4)nn1c5ccccn5"	0	"PK:FLT,KIT,FLT3"	"Clinical trial"	1	1	NA	""
"771652"	"771652"	"SAR-125844"	"Fc1ccc(cc1)c2ccc3nnc(Sc4ccc5nc(NC(=O)NCCN6CCOCC6)sc5c4)n3n2"	0	"PK:MET"	"Clinical trial"	1	1	NA	"1116743464"
"771657"	"771657"	"N-(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-N'-(4-fluorop..."	"Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(n3)c5cccs5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	NA	""
"771660"	"771660"	"(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-(4-morpholin-4-..."	"Cc1nc2cc(Nc3nc(nc(n3)N4CCOCC4)N5CCCCC5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	NA	""
"771717"	"771717"	"7-(2-chlorophenyl)-2-methoxy-3-(phenylsulfonyl)-6,7-dihy..."	"COc1nc2c(CCc3c2cnn3c4ccccc4Cl)cc1S(=O)(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"771750"	"771750"	"LY-2874455"	"C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c4c(Cl)cncc4Cl"	0	"PK:FGFR,VEGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"Clinical trial"	2	2	NA	"1254473647"
"771762"	"771762"	"{2-[4-(7-chloro-quinolin-4-yl)-piperazin-1-yl]-pyrmidin-..."	"COc1cc(Nc2ccnc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc(OC)c1"	0	NA	NA	2	2	NA	""
"771787"	"771787"	""	"COc1ccc(cc1OC)C(=O)c2sc3nc(ccc3c2N)c4cccs4"	0	NA	NA	1	1	NA	""
"771790"	"771790"	""	"COc1ccc(cc1)c2[nH]ncc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	1	NA	""
"771791"	"771791"	""	"COc1ccc(cc1)c2oncc2c3cc(OC)c4OCOc4c3"	0	NA	NA	2	2	NA	""
"771795"	"771795"	""	"Cc1nc2sccn2c1c3csc(Nc4cccc(Cl)c4C)n3"	0	NA	NA	1	1	NA	""
"771796"	"771796"	""	"COc1cc(cc(Br)c1OC)c2c(C#N)c(N)n3c4ccccc4nc3c2C#N"	0	NA	NA	1	1	NA	""
"771803"	"771803"	""	"Cc1ccc(cc1)S(=O)(=O)Nc2cccc3nc([nH]c23)C(F)(F)F"	0	NA	NA	2	2	NA	""
"771807"	"771807"	""	"COc1ccc(cc1OC)c2cc(O)n(n2)c3nc4ccccc4[nH]3"	0	NA	NA	1	1	NA	""
"771820"	"771820"	""	"COc1cc(cc(OC)c1O)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	2	2	NA	""
"771827"	"771827"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(Cl)c4"	0	NA	NA	2	2	NA	""
"771829"	"771829"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4ccc(F)cc4"	0	NA	NA	2	2	NA	""
"771835"	"771835"	"2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propyl-1,4-dihydropyr..."	"CCCC1=CC(=O)N=C(N1)n2nc(C)cc2C"	0	NA	NA	1	1	NA	""
"772196"	"772196"	"Lestaurtinib"	"C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35"	0	"PK:YK,FLT,NTRK,FLT3,JAK2"	"Clinical trial"	2	2	NA	"111358884"
"772197"	"772197"	"LY-2801653"	"CC1=CC=C(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3c5cn[nH]c5)c(F)c2)C(=O)N1c6ccc(F)cc6"	0	"PK:MET,AXL,FLT3,MERTK,MST1R,Multikinase"	"Clinical trial"	2	2	NA	"1206799156"
"772198"	"772198"	"LY-2090314"	"Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c5cnc6ccccn56)c(c1)c23)C(=O)N7CCCCC7"	0	"PK:GSK3A,GSK3B"	"Clinical trial"	2	2	NA	"603288228"
"772205"	"772205"	""	"CC(C)C[C@H](NC(=O)CN1C=CC(=CC1=O)Nc2ccccc2)B(O)O"	0	NA	NA	1	1	NA	""
"772209"	"772209"	""	"CC(C)C[C@H](NC(=O)CCN1C=Cc2ncccc2C1=O)B(O)O"	0	NA	NA	2	2	NA	""
"772254"	"772254"	"ARRY-520 Isomer A"	"CON(C)C(=O)N1N=C(SC1(CCCN)c2ccccc2)c3cc(F)ccc3F"	0	"CDH16"	"Clinical trial"	2	2	NA	""
"772255"	"772255"	"ARRY-520 Isomer A"	"CON(C)C(=O)N1N=C(SC1(CCCN)c2ccccc2)c3cc(F)ccc3F"	0	"CDH16"	"Clinical trial"	2	2	NA	""
"772257"	"772257"	"(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-be..."	"Cn1c(\C=C\2/Oc3ccccc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"772258"	"772258"	"(Z)-5-Chloro-2-(1-methyl-5-nitroimidazole-2-ylmethylene)..."	"Cn1c(\C=C\2/Oc3ccc(Cl)cc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"772259"	"772259"	"(Z)-5-Bromo-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-..."	"Cn1c(\C=C\2/Oc3ccc(Br)cc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"772260"	"772260"	"(Z)-7-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1cccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc12"	0	NA	NA	2	2	NA	""
"772261"	"772261"	"(Z)-5-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1ccc2O\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	2	NA	""
"772262"	"772262"	"(Z)-7-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"Cc1cccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc12"	0	NA	NA	2	2	NA	""
"772264"	"772264"	"(Z)-5-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cc1ccc2O\C(=C/c3ncc([N+](=O)[O-])n3C)\C(=O)c2c1"	0	NA	NA	2	2	NA	""
"772265"	"772265"	"(Z)-6-Chloro-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cn1c(\C=C\2/Oc3cc(Cl)ccc3C2=O)ncc1[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"772266"	"772266"	"(Z)-6,7-Dimethoxy-2-(1-methyl-5-nitroimidazole-2-ylmethy..."	"COc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc2c1OC"	0	NA	NA	2	2	NA	""
"772268"	"772268"	"(Z)-7-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)..."	"Cc1cccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc12"	0	NA	NA	2	2	NA	""
"772271"	"772271"	"(Z)-5-Bromo-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzofu..."	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccc(Br)cc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"772274"	"772274"	"(Z)-6-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene..."	"COc1ccc2C(=O)\C(=C\c3ncc([N+](=O)[O-])n3C)\Oc2c1"	0	NA	NA	2	2	NA	""
"772277"	"772277"	"(Z)-5-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo..."	"COc1ccc2O\C(=C/c3oc(cc3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	2	2	NA	""
"772278"	"772278"	"(Z)-6-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo..."	"COc1ccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	2	2	NA	""
"772279"	"772279"	"(Z)-6-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"Cc1ccc2C(=O)\C(=C\c3oc(cc3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	1	1	NA	""
"772280"	"772280"	"(Z)-5-Chloro-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof..."	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccc(Cl)cc3C2=O)cc1"	0	NA	NA	2	2	NA	""
"772281"	"772281"	"(Z)-2-(5-Nitrofuran-2-ylmethylene)-3(2H)-benzofuranone"	"[O-][N+](=O)c1oc(\C=C\2/Oc3ccccc3C2=O)cc1"	0	NA	NA	2	2	NA	""
"772282"	"772282"	"(Z)-2-(5-Nitrothiophene-2-ylmethylene)-3(2H)-benzofuranone"	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccccc3C2=O)s1"	0	NA	NA	2	2	NA	""
"772283"	"772283"	"(Z)-5-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccc(Cl)cc3C2=O)s1"	0	NA	NA	2	2	NA	""
"772284"	"772284"	"(Z)-7-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1cccc2C(=O)\C(=C\c3ccc(s3)[N+](=O)[O-])\Oc12"	0	NA	NA	2	2	NA	""
"772285"	"772285"	"(Z)-6-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3cc(Cl)ccc3C2=O)s1"	0	NA	NA	2	2	NA	""
"772286"	"772286"	"(Z)-6-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1ccc2C(=O)\C(=C\c3ccc(s3)[N+](=O)[O-])\Oc2c1"	0	NA	NA	2	2	NA	""
"772287"	"772287"	"(Z)-5-Bromo-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-ben..."	"[O-][N+](=O)c1ccc(\C=C\2/Oc3ccc(Br)cc3C2=O)s1"	0	NA	NA	2	2	NA	""
"772288"	"772288"	"(Z)-5-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b..."	"COc1ccc2O\C(=C/c3ccc(s3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	2	2	NA	""
"772289"	"772289"	"2-(3-aminopropyl)-7-(3-((2-methoxybenzyl)amino)propyl)be..."	"COc1ccccc1CNCCCN2C(=O)c3ccc4C(=O)N(CCCN)C(=O)c5ccc(C2=O)c3c45"	0	NA	NA	2	1	NA	""
"772290"	"772290"	"Pelitrexol isomer A"	"Cc1cc(sc1CCC2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	NA	""
"772291"	"772291"	"Pelitrexol isomer B"	"Cc1cc(sc1CCC2CNC3=C(C2)C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O"	0	"GARTF"	"Clinical trial"	2	2	NA	""
"772296"	"772296"	"imap"	"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5"	0	NA	NA	1	1	NA	"1841196"
"772317"	"772317"	""	"CC1=CC(=O)N2N=Nc3c(ccc4ccccc34)N12"	0	NA	NA	1	1	NA	""
"772330"	"772330"	""	"Fc1ccc(Nc2c(cnc3ccc(NCc4c[nH]cn4)cc23)C#N)cc1Cl"	0	NA	NA	1	1	NA	""
"772341"	"772341"	""	"c1cccc2c1cc1c([N]3=Cc4cc(ccc4[O-][Ni+2]43[N]1=Cc1c(ccc(c1)C[N+](CC)(CC)CC)[O-]4)C[N+](CC)(CC)CC)c2.[Cl](=O)(=O)(=O)[O-].[Cl](=O)(=O)(=O)[O-]"	0	NA	NA	1	1	NA	""
"772344"	"772344"	""	"Fc1ccc(cc1Cl)N2N=Nc3c(sc4ccccc34)C2=O"	0	NA	NA	1	1	NA	""
"772345"	"772345"	""	"Cc1ccc(cc1)N2N=Nc3c(sc4ccccc34)C2=O"	0	NA	NA	1	1	NA	""
"772351"	"772351"	"XL-888"	"CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c4ccc(cn4)C(=O)C5CC5)c(C)cc1C(=O)N"	0	"HSP90"	"Clinical trial"	2	2	NA	"1149705714"
"772438"	"772438"	""	"NC(=N)c1ccc(cc1F)c2ccc(s2)c3cccs3"	0	NA	NA	2	2	NA	""
"772451"	"772451"	"(R)-methyl 2-cinnamamido-3-(1H-indol-3-yl)propanoate"	"COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c3ccccc3"	0	NA	NA	1	1	NA	""
"772469"	"772469"	"IPI-145"	"C[C@H](Nc1ncnc2[nH]cnc12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5"	0	"PK:PIK3"	"FDA approved"	2	2	NA	"1201438563"
"772488"	"772488"	"3-amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydroth..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(c4)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"772489"	"772489"	"3-amino-5-hydroxy-N-(3-(trifluoromethyl)phenyl)-5,6,7,8-..."	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	NA	""
"772490"	"772490"	"3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrot..."	"Cc1ccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)cc1C"	0	NA	NA	2	2	NA	""
"772491"	"772491"	"3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno..."	"CCc1ccccc1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	NA	""
"772494"	"772494"	"3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahy..."	"CCc1cccc(C)c1NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N"	0	NA	NA	2	2	NA	""
"772496"	"772496"	"3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrot..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4cccc(Cl)c4Cl"	0	NA	NA	1	1	NA	""
"772533"	"772533"	""	"COc1cccc(c1)n2cc(nn2)c3nc(Nc4cc(C)[nH]n4)c5ccccc5n3"	0	NA	NA	2	2	NA	""
"772536"	"772536"	""	"CC#CC1=Nc2ccccc2C(=O)N1"	0	NA	NA	1	1	NA	""
"772537"	"772537"	""	"Cc1cc(Nc2nc(nc3ccccc23)C#C)n[nH]1"	0	NA	NA	2	1	NA	""
"772538"	"772538"	""	"O=C1NC(=Nc2ccccc12)C#C"	0	NA	NA	2	2	NA	""
"772541"	"772541"	""	"Cc1cc(Nc2nc(nc3ccccc23)c4cccnc4)n[nH]1"	0	NA	NA	2	2	NA	""
"772542"	"772542"	""	"Cc1cc(Nc2nc(nc3ccccc23)c4ccncc4)n[nH]1"	0	NA	NA	1	1	NA	""
"772543"	"772543"	""	"Cc1cc(Nc2nc(nc3ccccc23)c4ccc(F)cc4)n[nH]1"	0	NA	NA	2	2	NA	""
"772544"	"772544"	""	"COc1ccc(cc1)c2nc(Nc3cc(C)[nH]n3)c4ccccc4n2"	0	NA	NA	2	2	NA	""
"772545"	"772545"	""	"CCOC(=O)N1CCN(CC1)c2nc(Nc3cc(C)[nH]n3)c4ccccc4n2"	0	NA	NA	1	1	NA	""
"772548"	"772548"	""	"Cc1cc(Nc2nc(nc3ccccc23)C(=O)Nc4ccccc4)n[nH]1"	0	NA	NA	1	1	NA	""
"772555"	"772555"	""	"Cc1cc(Nc2nc(nc3ccccc23)N4CCOCC4)n[nH]1"	0	NA	NA	1	1	NA	""
"772557"	"772557"	""	"Cc1cc(Nc2nc(nc3ccccc23)c4cn(nn4)c5ccc(Cl)cc5)n[nH]1"	0	NA	NA	1	1	NA	""
"772561"	"772561"	"3-(3,5-dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)p..."	"Cc1onc(C)c1c2cc(O)cc(c2)C(O)c3ccccc3"	0	NA	NA	1	1	NA	""
"772563"	"772563"	"ARRY-704"	"CN1C(=O)C(=CC(=C1Nc2ccc(I)cc2F)C(=O)NOCCO)C"	0	"PK:MAP2K,MAP2K1,MAP2K2"	"Clinical trial"	2	2	NA	"869357686"
"772564"	"772564"	"IDH-C227"	"Cc1ccccc1C(N(C(=O)CNc2ccc(cc2)C#N)c3cccc(F)c3)C(=O)NC4CCCCC4"	0	"IDH1"	"Clinical trial"	1	1	NA	"1355324149"
"772595"	"772595"	"KPT-185"	"COc1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)OC(C)C)n2"	0	"XPO1"	"Clinical trial"	2	2	NA	"1333151737"
"772637"	"772637"	""	"COc1ccc(cc1)c2nsc3C(CC(=O)Nc23)c4cccc(F)c4"	0	NA	NA	1	1	NA	""
"772643"	"772643"	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccccc4Cl"	0	NA	NA	1	1	NA	""
"772654"	"772654"	""	"Nc1nonc1c2nc3ccccc3n2CC(=O)Nc4ccc(F)cc4F"	0	NA	NA	1	1	NA	""
"772664"	"772664"	""	"Nc1nonc1c2nc3ccccc3n2Cc4ccc(F)cc4"	0	NA	NA	1	1	NA	""
"772665"	"772665"	""	"COc1cc(NC(=O)Cn2c(nc3ccccc23)c4nonc4N)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"772666"	"772666"	""	"COc1cccc(Cn2c(nc3ccccc23)c4nonc4NC(=O)C)c1"	0	NA	NA	1	1	NA	""
"772801"	"772801"	""	"COc1ccc(\C=C\C(=N\OCC(=O)Nc2ccc(Cl)cc2)\C)cc1"	0	NA	NA	2	1	NA	""
"772810"	"772810"	""	"COc1ccc(cc1)S(=O)(=O)NCCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	NA	""
"772811"	"772811"	""	"Cc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	NA	""
"772812"	"772812"	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc6ccccc6c5)n4"	0	NA	NA	1	1	NA	""
"772813"	"772813"	""	"Oc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccc(F)cc5"	0	NA	NA	1	1	NA	""
"772816"	"772816"	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"772821"	"772821"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	2	1	NA	""
"772823"	"772823"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc6OCCOc6c5)c4"	0	NA	NA	1	1	NA	""
"772825"	"772825"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772827"	"772827"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772828"	"772828"	""	"COc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)Nc5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772839"	"772839"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772840"	"772840"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc6OCCOc6c5)c4"	0	NA	NA	1	1	NA	""
"772842"	"772842"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(Cl)c(Cl)c5)c4"	0	NA	NA	1	1	NA	""
"772843"	"772843"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5ccc(N6CCOCC6)c(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772844"	"772844"	""	"Oc1ccc(cc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4"	0	NA	NA	1	1	NA	""
"772847"	"772847"	""	"O=C1Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C4=C1CCCCC4"	0	NA	NA	1	1	NA	""
"772850"	"772850"	""	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	NA	""
"772852"	"772852"	""	"O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)C34CC5CC(CC(C5)C3)C4"	0	NA	NA	1	1	NA	""
"772868"	"772868"	"LCL-161"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)C(=O)c4ccc(F)cc4"	0	"IAP"	"Clinical trial"	2	2	NA	"1005342460"
"772885"	"772885"	"PF-4942847"	"Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1c3nc(N)nc4CN(Cc34)C(=O)NCC(C)(F)F"	0	"HSP90"	"Clinical trial"	2	2	NA	"1207961338"
"772887"	"772887"	"XL-019"	"O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C5CCCN5"	0	"PK:JAK,JAK2"	"Clinical trial"	1	1	NA	"945750130"
"772991"	"772991"	"PKM2 (9)"	"COc1ccccc1N2CCN(CC2)C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3"	0	"PKM"	"Clinical trial"	1	1	NA	"1260074869"
"772992"	"772992"	"Fostamatinib"	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(=O)(O)O)c4n3)n2)cc(OC)c1OC"	0	"Ds|Rs|PK:YK,SYK"	"Clinical trial"	1	1	NA	"914295162"
"773076"	"773076"	""	"COc1ccc(Nc2nccc(n2)N3CCN(CC3)c4c5ccc(Cl)cc5nc6ccc(OC)cc46)cc1"	0	NA	NA	1	1	NA	""
"773094"	"773094"	"R-547"	"COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	"PK:CDK,CDK1,CDK2,CDK4"	"Clinical trial"	2	2	NA	"741713406"
"773097"	"773097"	"(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2ccc(s2)c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"773102"	"773102"	"8-Ethoxy-4-hydroxy-3-[1,3,4]oxadiazol-2-yl-6-phenyl-2H-[..."	"CCOc1nc(cc2C(=C(NC(=O)c12)c3ocnn3)O)c4ccccc4"	0	NA	NA	2	2	NA	""
"773148"	"773148"	"2-ethyl-7-(3-((2-methoxybenzyl)amino)propyl)benzo[lmn][3..."	"CCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	2	2	NA	""
"773177"	"773177"	"(E)-N-((E)-3-((1-methyl-1H-pyrrol-2-yl)methylene)-2-oxoi..."	"COc1cc(\C=C\C(=O)Nc2ccc3NC(=O)\C(=C\c4cccn4C)\c3c2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"773187"	"773187"	"(E)-1-(6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]t..."	"COc1cc(\C=C\C(=O)c2c(nc3sc(C)nn23)c4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"773189"	"773189"	"(E)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3ccc(OC(F)(F)F)cc3)c1OC"	0	NA	NA	1	1	NA	""
"773195"	"773195"	"9,10-dimethoxy-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d..."	"COc1cc2c(C#N)n3c4ccccc4OC(C(=O)c3c2cc1OC)c5ccccc5"	0	NA	NA	1	1	NA	""
"773201"	"773201"	""	"COc1cc(C2=NN(C(O2)c3ccc(OC(=O)C)cc3OC(=O)C)C(=O)C)c(OC(=O)C)c4ccccc14"	0	NA	NA	2	2	NA	""
"773204"	"773204"	"3,4,5-Trihydroxy-N-(4-phenyl-thiazol-2-yl)-benzamide"	"Oc1cc(cc(O)c1O)C(=O)Nc2nc(cs2)c3ccccc3"	0	NA	NA	1	1	NA	""
"773205"	"773205"	"3,4,5-Trihydroxy-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-b..."	"COc1ccc(cc1)c2csc(NC(=O)c3cc(O)c(O)c(O)c3)n2"	0	NA	NA	1	1	NA	""
"773206"	"773206"	"N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4,5-trihydroxy-be..."	"Oc1cc(cc(O)c1O)C(=O)Nc2nc(cs2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"773228"	"773228"	""	"COc1ccccc1c2c(C)nn3c(NCc4ccccn4)cc(C)nc23"	0	NA	NA	2	2	NA	""
"773241"	"773241"	""	"COc1cc2C(=CC(=O)Oc2c(C)c1OC)c3nc4cc(Cl)c(F)cc4s3"	0	NA	NA	2	1	NA	""
"773242"	"773242"	""	"COc1c(Cl)ccc2C(=CC(=O)Oc12)c3nc4cc(Cl)c(F)cc4s3"	0	NA	NA	2	2	NA	""
"773260"	"773260"	"KPT-251"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/c3ocnn3)n2"	0	"XPO1"	"Clinical trial"	2	2	NA	"1388841506"
"773261"	"773261"	"GSK-921"	"CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2"	0	"CDH16|KIF11"	"Clinical trial"	2	2	NA	"940929339"
"773262"	"773262"	"VX-689"	"OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc4cccc(Cl)c4F"	0	"PK:AURK"	"Clinical trial"	1	1	NA	"1010085138"
"773263"	"773263"	"Bafetinib"	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4ncc(cn4)c5cncnc5)c3)C1"	0	"BCR-ABL|PK:YK,FYN,LYN"	"Clinical trial"	2	2	NA	"887650057"
"773264"	"773264"	"R-306465"	"ONC(=O)c1cnc(nc1)N2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3"	0	"HDAC"	"Clinical trial"	2	2	NA	"604769019"
"773265"	"773265"	"B-7100"	"COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C"	0	"HSP90"	"Clinical trial"	2	2	NA	"848695250"
"773277"	"773277"	"5-chloro-2-(2-phenoxyacetamido)benzamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)COc2ccccc2"	0	NA	NA	1	1	NA	""
"773278"	"773278"	"5-iodo-2-(2-phenoxyacetamido)benzamide"	"NC(=O)c1cc(I)ccc1NC(=O)COc2ccccc2"	0	NA	NA	2	2	NA	""
"773279"	"773279"	"5-methoxy-2-(2-phenoxyacetamido)benzamide"	"COc1ccc(NC(=O)COc2ccccc2)c(c1)C(=O)N"	0	NA	NA	2	2	NA	""
"773280"	"773280"	"4,5-dimethoxy-2-(2-phenoxyacetamido)benzamide"	"COc1cc(NC(=O)COc2ccccc2)c(cc1OC)C(=O)N"	0	NA	NA	1	1	NA	""
"773315"	"773315"	"4-bromo-N'-butylbenzohydrazide"	"CCCCNNC(=O)c1ccc(Br)cc1"	0	NA	NA	2	2	NA	""
"773319"	"773319"	""	"Oc1ccccc1NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2"	0	NA	NA	2	1	NA	""
"773381"	"773381"	""	"CN1CCc2c(Sc3ccc(cc3)C(=O)NO)c4ccccc4n2C1"	0	NA	NA	2	1	NA	""
"773382"	"773382"	""	"CN1CCc2c(Sc3ccc(cc3)C(=O)NO)c4cc(C)ccc4n2C1"	0	NA	NA	2	1	NA	""
"773383"	"773383"	""	"CN1CCn2c(C1=O)c(Sc3ccc(cc3)C(=O)NO)c4ccccc24"	0	NA	NA	2	1	NA	""
"773385"	"773385"	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CNC4)C3)c5c(Cl)ccc(F)c5Cl"	0	NA	NA	2	2	NA	""
"773386"	"773386"	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CCNCC4)C3)c5c(F)ccc(Cl)c5Cl"	0	NA	NA	2	2	NA	""
"773388"	"773388"	""	"Nc1ncnc2c1c(nn2C3CCC4(CC3)CN(C4)C(=O)C=C)c5ccc(Oc6ccccc6)cc5"	0	NA	NA	2	2	NA	""
"773389"	"773389"	""	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CC4(CCCNC4)C3)c5c(Cl)ccc(F)c5Cl"	0	NA	NA	2	2	NA	""
"773392"	"773392"	"(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2ccc([se]2)c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"773393"	"773393"	"5,5'-(selenophene-2,5-diyl)bis(furan-2-carbaldehyde)"	"O=Cc1oc(cc1)c2ccc([se]2)c3oc(C=O)cc3"	0	NA	NA	2	2	NA	""
"773394"	"773394"	"AT-7519"	"Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3"	0	"RNA polymerase I|PK:CDK,CDK1,CDK2,CDK4,CDK6"	"Clinical trial"	2	2	NA	"844442382"
"773409"	"773409"	""	"CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc2ccccc2"	0	NA	NA	1	1	NA	""
"774651"	"774651"	"Cilengitide"	"CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O"	0	"Ang|ITG"	"Clinical trial"	2	2	NA	"188968516"
"774702"	"774702"	""	"COc1ccc(cc1)c2cn[nH]c2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	NA	""
"774714"	"774714"	""	"Nc1nonc1c2nc3ccccc3n2Cc4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"774719"	"774719"	""	"COc1cc(Cn2c(nc3ccccc23)c4nonc4N)ccc1C"	0	NA	NA	2	2	NA	""
"774730"	"774730"	""	"COc1ccc(OC)c(Nc2nc(cs2)c3c(C)nc4sccn34)c1"	0	NA	NA	1	1	NA	""
"774736"	"774736"	""	"COc1ccc(cc1)c2cnc3ccnn3c2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"774769"	"774769"	"NMS-E628"	"CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC6CCOCC6)c2"	0	"PK:ROS1,ALK"	"FDA approved"	2	2	NA	"1108743607"
"774788"	"774788"	""	"Cc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	NA	""
"774790"	"774790"	""	"Fc1ccc(cc1)S(=O)(=O)Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2"	0	NA	NA	2	2	NA	""
"774816"	"774816"	"Mito-Chromanol Acetate"	"CC(=O)Oc1c(C)c(C)c2OC(C)(CC(=O)OCCCCCCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)CCc2c1C"	0	NA	NA	2	1	NA	""
"774818"	"774818"	""	"CCC(C)CC(C)C(=O)C1=C(O)C=CN(O)C1=O"	0	NA	NA	1	1	NA	""
"774829"	"774829"	"I-BET-762"	"CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14"	0	"BRD"	"Clinical trial"	1	1	NA	"1260907172"
"774830"	"774830"	"Milciclib"	"CNC(=O)c1nn(C)c2c3nc(Nc4cccc(c4)N5CCN(C)CC5)ncc3CC(C)(C)c12"	0	"PK:CDK,CDK1,CDK2,CDK4,CDK5,Multikinase"	"Clinical trial"	2	2	NA	"802539817"
"774831"	"774831"	"Rebastinib"	"CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1"	0	"BCR-ABL|PK:LYN,FGFR,SRC,VEGFR,TEK"	"Clinical trial"	2	2	NA	"1020172079"
"774841"	"774841"	""	"COc1ccc(\C=C\2/CN(Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)cc6)\C2=O)cc1"	0	NA	NA	1	1	NA	""
"774842"	"774842"	""	"COc1ccc(\C=C\2/CN(Cc3cn(CCCNc4ccnc5cc(Cl)ccc45)nn3)C\C(=C/c6ccc(OC)c(OC)c6)\C2=O)cc1OC"	0	NA	NA	1	1	NA	""
"774861"	"774861"	"N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-6-(4-chloro-..."	"Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(n3)c5ccc(Cl)cc5)ccc2n1Cc6ccccc6"	0	NA	NA	1	1	NA	""
"774862"	"774862"	"N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-N'-(4-fluoro..."	"COc1ccc(cc1)c2nc(Nc3ccc(F)cc3)nc(Nc4ccc5c(c4)nc(C)n5Cc6ccccc6)n2"	0	NA	NA	1	1	NA	""
"774901"	"774901"	"AZD-2858"	"c1(cnccc1)NC(=O)c1c(ncc(n1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N.C(C)S(=O)(=O)O.C(C)S(=O)(=O)O"	0	"Wnt|PK:GSK3A"	"Clinical trial"	2	2	NA	"486424208"
"774912"	"774912"	"(Z)-N1-(3-((1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)..."	"ONC(=O)CCCCCCC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)\c2c1"	0	NA	NA	2	2	NA	""
"774913"	"774913"	"(Z)-N1-(3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo..."	"Cc1cc(C)c(\C=C\2/C(=O)Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)[nH]1"	0	NA	NA	2	2	NA	""
"774914"	"774914"	"(Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(3-(met..."	"CSCCCNC(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)cc3C)\c2c1"	0	NA	NA	1	1	NA	""
"774918"	"774918"	"(Z)-N1-(3-((1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)..."	"Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccc3NC(=O)\C(=C/c4ccc[nH]4)\c3c2"	0	NA	NA	1	1	NA	""
"774933"	"774933"	"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((3-(methylami..."	"CNCCCNCCCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	1	1	NA	""
"774934"	"774934"	"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((4-((3-(methy..."	"CNCCCNCCCCNCCCN1C(=O)c2ccc3C(=O)N(CCCNCc4ccccc4OC)C(=O)c5ccc(C1=O)c2c35"	0	NA	NA	1	1	NA	""
"774952"	"774952"	"3-phenyl-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl..."	"FC(F)(F)c1ccc2nc([nH]c2c1)c3nc(c4ccccc4)n5ccccc35"	0	NA	NA	1	1	NA	""
"774957"	"774957"	"5,6-dichloro-2-(3-(4-(trifluoromethyl)phenyl)imidazo[1,5..."	"FC(F)(F)c1ccc(cc1)c2nc(c3nc4cc(Cl)c(Cl)cc4[nH]3)c5ccccn25"	0	NA	NA	1	1	NA	""
"774958"	"774958"	"(Z)-6-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met..."	"COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4cc(Cl)ccc34)[nH]n2"	0	NA	NA	1	1	NA	""
"774959"	"774959"	"(Z)-5-methoxy-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)me..."	"COc1ccc(cc1)c2cc(\C=C\3/C(=O)Nc4ccc(OC)cc34)[nH]n2"	0	NA	NA	1	1	NA	""
"774960"	"774960"	"(Z)-5-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5..."	"COc1cc(cc(OC)c1OC)c2cc(\C=C\3/C(=O)Nc4ccc(Cl)cc34)[nH]n2"	0	NA	NA	1	1	NA	""
"774979"	"774979"	"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)-1..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(n[nH]2)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"774980"	"774980"	"(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5..."	"COc1ccc(cc1OC)c2cc(\C=C\C(=O)c3cc(OC)c(OC)c(OC)c3)[nH]n2"	0	NA	NA	1	1	NA	""
"774981"	"774981"	"(E)-1-(4-aminophenyl)-3-(3-(3,4-dimethoxyphenyl)-1H-pyra..."	"COc1ccc(cc1OC)c2cc(\C=C\C(=O)c3ccc(N)cc3)[nH]n2"	0	NA	NA	1	1	NA	""
"774982"	"774982"	"(E)-5-fluoro-3-((6-(4-methoxyphenyl)-2-(3,4,5-trimethoxy..."	"COc1ccc(cc1)c2nc3sc(nn3c2\C=C/4\C(=O)Nc5ccc(F)cc45)c6cc(OC)c(OC)c(OC)c6"	0	NA	NA	1	1	NA	""
"774989"	"774989"	"(E)-5-chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo..."	"Clc1ccc(cc1)c2nc3sc(nn3c2\C=C/4\C(=O)Nc5ccc(Cl)cc45)C6CC6"	0	NA	NA	1	1	NA	""
"774998"	"774998"	"(Z)-4-methoxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)ccc2OC"	0	NA	NA	1	1	NA	""
"775002"	"775002"	"2-cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethox..."	"COc1ccc(cc1OC)c2c(nc3sc(nn23)C4CC4)c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	NA	""
"775003"	"775003"	"(E)-3-((6-p-tolyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-..."	"COc1cc(cc(OC)c1OC)c2nn3c(\C=C/4\C(=O)Nc5ccccc45)c(nc3s2)c6ccc(C)cc6"	0	NA	NA	1	1	NA	""
"775010"	"775010"	"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-4..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC"	0	NA	NA	1	1	NA	""
"775011"	"775011"	"(Z)-4-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c3ccc(Cl)cc3)c1OC"	0	NA	NA	1	1	NA	""
"775014"	"775014"	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(cc1)S(=O)(=O)Nc2c(O)c(OC)ccc2\C=C/c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"775015"	"775015"	"(Z)-4-chloro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(Cl)cc3)c1O"	0	NA	NA	1	1	NA	""
"775029"	"775029"	"3-(benzylthio)-5-(pyridin-3-yl)-8,9,10,11,12,13-hexahydr..."	"C(Sc1nnc2c3c4CCCCCCc4sc3nc(c5cccnc5)n12)c6ccccc6"	0	NA	NA	1	1	NA	""
"775293"	"775293"	"N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-N4-(4-methox..."	"COc1ccc(Nc2ccnc(NCCCNc3ccnc4cc(Cl)ccc34)n2)cc1"	0	NA	NA	1	1	NA	""
"775294"	"775294"	"N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(3,5-dimet..."	"COc1cc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc(OC)c1"	0	NA	NA	1	1	NA	""
"775296"	"775296"	"N4-(4-chlorophenyl)-N2-(2-((7-chloroquinolin-4-yl)amino)..."	"Clc1ccc(Nc2ccnc(NCCNc3ccnc4cc(Cl)ccc34)n2)cc1"	0	NA	NA	1	1	NA	""
"775306"	"775306"	"P-529"	"COc1ccc(COc2cc3OC(=O)c4cc(ccc4c3cc2OC)C(C)O)cc1"	0	"PK:PIK3,AKT,FGFR,MTOR,VEGFR"	"Clinical trial"	1	1	NA	"914913885"
"775353"	"775353"	"E/Z-Norendoxifen"	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN)cc2)\c3ccccc3"	0	NA	NA	2	2	NA	"1217237983"
"775429"	"775429"	"4-chloro-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol"	"Oc1ccc(Cl)cc1c2cc([nH]n2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"775437"	"775437"	"3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-..."	"Cc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1"	0	NA	NA	1	1	NA	""
"775440"	"775440"	"3-amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta..."	"Cc1cccc(NC(=O)c2sc3nc4CCCc4cc3c2N)c1C"	0	NA	NA	1	1	NA	""
"775441"	"775441"	"3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thie..."	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	1	1	NA	""
"775443"	"775443"	"3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2C1"	0	NA	NA	1	1	NA	""
"775444"	"775444"	"3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4cccc(F)c4)c(N)c3cc2C1"	0	NA	NA	1	1	NA	""
"775445"	"775445"	"3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3..."	"COc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1"	0	NA	NA	1	1	NA	""
"775446"	"775446"	"3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothi..."	"CCC1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1"	0	NA	NA	1	1	NA	""
"775460"	"775460"	""	"CCN(CC)c1cc(\C=C\c2ccc(OC)c(OC)c2)nc3cc(F)c(F)cc13"	0	NA	NA	1	1	NA	""
"775463"	"775463"	""	"Clc1ccc(\C=C\c2cc(N3CCOCC3)c4cc(Cl)c(Cl)cc4n2)cc1"	0	NA	NA	2	2	NA	""
"775467"	"775467"	""	"COc1ccc(\C=C\c2nc(N3CCOCC3)c4cc(F)c(F)cc4n2)cc1OC"	0	NA	NA	1	1	NA	""
"775507"	"775507"	"14,15-cyclopropano-1-N-formyl-vinorelbine-sulfate"	"CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC"	0	NA	NA	2	2	NA	""
"775548"	"775548"	"1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene"	"C(=C(CCCO)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(c1ccc(cc1)O)c1ccc(cc1)O"	0	NA	NA	1	1	NA	""
"775609"	"775609"	"14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate"	"CC[C@]1(O)C[C@@H]2CN(Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	2	2	NA	""
"775632"	"775632"	"3-Allylsalicylaldehyde"	"Oc1c(CC=C)cccc1C=O"	0	NA	NA	1	1	NA	"24019667"
"775636"	"775636"	"SCH-772984"	"O=C(CN1CC[C@H](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7"	0	"PK:ERK,MAP3K,MAPK1"	"Clinical trial"	2	2	NA	"942183804"
"775637"	"775637"	"AMD-070"	"NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]3CCCc4cccnc34"	0	"CXCR4"	"Clinical trial"	1	1	NA	"558447260"
"775664"	"775664"	"hemolysin bl proteins"	""	0	NA	NA	2	2	NA	""
"775723"	"775723"	"3,7-dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo[3,2-..."	"COc1cc(cc(OC)c1OC)C2C=C(C)N=C3SC=C(C)N23"	0	NA	NA	1	1	NA	""
"775733"	"775733"	""	"COc1cc(CN2C(=Nc3ccccc3C2=O)SCC(=O)Nc4ccc(Cl)cc4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"775739"	"775739"	""	"COc1cc(CNC(=O)CCSC2=Nc3ccccc3C(=O)N2Cc4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"775760"	"775760"	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCC(=O)Oc3ccc4C5CC[C@]6(C)[C@@H](O)CC[C@H]6C5CCc4c3)c7ccc[nH]7"	0	NA	NA	1	1	NA	""
"775761"	"775761"	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCC(=O)Oc3ccc4C5CC[C@]6(C)[C@@H](O)CC[C@H]6C5CCc4c3)c7ccc[nH]7"	0	NA	NA	1	1	NA	""
"775762"	"775762"	""	"c12=Cc3[n-]4c(cc3OC)c3[n-](c5c(c3)cccc5)[Sn+4]4([n]2c(c(c1C)CCCCC)C)([CH-]CCC)[CH-]CCC"	0	NA	NA	1	1	NA	""
"775763"	"775763"	""	"CCCCCC1=C(C)\C(=C\c2[nH]c(cc2OC)c3cc4ccccc4[nH]3)\N=C1C"	0	NA	NA	1	1	NA	""
"775771"	"775771"	"BMS-863233"	"Clc1ccc2oc3C(=O)NC(=Nc3c2c1)C4CCCN4"	0	"PK:CDC7,CDK7,CDK9"	"Clinical trial"	2	2	NA	"1169558386"
"775877"	"775877"	"2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]..."	"COc1ccc(cc1)C2=Nc3sc4CCCCCCc4c3C(=O)N2"	0	NA	NA	1	1	NA	""
"775878"	"775878"	"2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclooc..."	"COc1cc(cc(OC)c1OC)C2=Nc3sc4CCCCCCc4c3C(=O)N2"	0	NA	NA	1	1	NA	""
"775905"	"775905"	""	"CC(C)C[C@H](NC(=O)\C=C\CN1C=Cc2ccccc2C1=O)B(O)O"	0	NA	NA	1	1	NA	""
"775913"	"775913"	"4-((4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dien-1..."	"C\C(=C/CC\C(=C\CCc1cocc1)\C)\CCCC2=CC(=O)OC2"	0	NA	NA	1	1	NA	""
"775951"	"775951"	"N-cyclohexyl-4-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-..."	"O=C(NC1CCCCC1)c2ccc(Nc3ncnc4c3cnn4c5ccccc5)cc2"	0	NA	NA	1	1	NA	""
"775978"	"775978"	""	"COc1ccc(cc1)c2cnoc2c3cc(OC)c4OCCOc4c3"	0	NA	NA	2	2	NA	""
"776002"	"776002"	""	"Fc1cc(Br)ccc1C(=O)Nc2cccc3[nH]c(nc23)C(F)(F)F"	0	NA	NA	1	1	NA	""
"776008"	"776008"	""	"CCOc1ccc(Nc2nc(cs2)c3c(C)nc4ncccn34)cc1"	0	NA	NA	1	1	NA	""
"776015"	"776015"	""	"Oc1cc(nn1c2nc3ccccc3[nH]2)c4ccccc4"	0	NA	NA	1	1	NA	""
"776017"	"776017"	"Telatinib"	"CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c4ccoc24)ccn1"	0	"PK:PDGFR,KIT,VEGFR,KDR"	"Clinical trial"	1	1	NA	"332012405"
"776043"	"776043"	"CEP-32496"	"COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	"1188910760"
"776053"	"776053"	"(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-(4-chloro-6-mo..."	"Cc1nc2ccc(Nc3nc(Cl)nc(n3)N4CCOCC4)cc2n1Cc5ccccc5"	0	NA	NA	1	1	NA	""
"776066"	"776066"	"AZD-1208"	"N[C@@H]1CCCN(C1)c2c(\C=C\3/SC(=O)NC3=O)cccc2c4ccccc4"	0	"PK:PIM1,PIM2,PIM3"	"Clinical trial"	2	1	NA	"1204144284"
"776415"	"776415"	"[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca..."	"[Ru+2]1([S]=C(c2cccc[n]12)Nc1ccc(cc1)F)([Cl-])c1c(ccc(c1)C(C)C)C.[Cl-]"	0	NA	NA	1	1	NA	""
"776422"	"776422"	"LDK-378"	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	"PK:ALK"	"FDA approved"	2	2	NA	"1032900256"
"776445"	"776445"	""	"COc1ccc(cc1)C2=NN(C=O)C(C2)c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3"	0	NA	NA	1	1	NA	""
"776452"	"776452"	""	"COc1ccc(cc1)C2CC(=NN2c3ccccc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	NA	""
"776453"	"776453"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccccc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	NA	""
"776455"	"776455"	""	"COc1ccc(cc1)C2CC(=NN2c3ccc(Cl)cc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	NA	""
"776456"	"776456"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccc(Cl)cc3)c4cccc(Nc5ccnc6cc(Cl)ccc56)c4"	0	NA	NA	1	1	NA	""
"776469"	"776469"	""	"Nc1nc(N)c2N=C(CC(Nc2n1)c3sc(Cl)nc3Cl)c4ccc5OCOc5c4"	0	NA	NA	1	1	NA	""
"776480"	"776480"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3ccc(Cl)cc3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	NA	""
"776678"	"776678"	""	"Cc1cc(C)c2c(n1)sc3c(Nc4ccc(Cl)cc4)ncnc23"	0	NA	NA	2	2	NA	""
"776733"	"776733"	"(E)-9-(3,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C4SC(=NN4C3c5ccc(OC)c(OC)c5)C)cc1OC"	0	NA	NA	1	1	NA	""
"776744"	"776744"	"(E)-9-(3,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)..."	"COc1ccc(\C=C\2/CCCC3=C2N=C4SC=NN4C3c5ccc(OC)c(OC)c5)cc1OC"	0	NA	NA	1	1	NA	""
"776751"	"776751"	"2-(phenylamino)-10-methyl-5,6,7,10-tetrahydropyrrolo[3',..."	"Cn1c(cc2CCCc3cnc(Nc4ccccc4)nc3c12)C(=O)N"	0	NA	NA	1	1	NA	""
"776762"	"776762"	"EXEL-7647"	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC4C[C@H]5CN(C)C[C@H]5C4"	0	"PK:EGFR,ERBB2,SRC,VEGFR"	"Clinical trial"	2	2	NA	"781613238"
"776763"	"776763"	"Ariad Alk/EGFR inhibitor related to AP-26113"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N(C)C"	0	"PK:ALK,EGFR"	""	2	2	NA	"1197958125"
"776787"	"776787"	"AZD-3463"	"COc1cc(ccc1Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34)N5CCC(N)CC5"	0	"PK:IGF1R,ALK"	"Clinical trial"	2	2	NA	"1356962203"
"776790"	"776790"	"MK-0429"	"COc1ccc(cn1)[C@H](CC(=O)O)N2CCN(CCCc3ccc4CCCNc4n3)C2=O"	0	"ITG"	"Clinical trial"	2	2	NA	""
"776800"	"776800"	"4-[5-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-4..."	"Cc1ccc(cc1)C2=NN(C(C2)c3cn(nc3c4ccccc4)c5ccccc5)c6ccc(cc6)S(=O)(=O)N"	0	NA	NA	1	1	NA	""
"776817"	"776817"	""	"CC(=O)Nc1ccc(cc1)S(=O)(=O)N2C(CCC2=O)C(=O)Nc3ccccc3"	0	NA	NA	2	2	NA	""
"776825"	"776825"	"methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17- {[(2E..."	"CCC(=O)Oc1cc(\C=C\C(=O)O[C@H]2C[C@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@@H]4C[C@@H]3[C@H]([C@@H]2OC)C(=O)OC)ccc1OC"	0	NA	NA	1	1	NA	""
"776877"	"776877"	""	"Cc1cc(nc(NC2CCCCC2)n1)N3CCN(CC3)c4ccnc5cc(Cl)ccc45"	0	NA	NA	1	1	NA	""
"776878"	"776878"	""	"COc1cc(Nc2cc(C)nc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc(OC)c1"	0	NA	NA	2	2	NA	""
"776879"	"776879"	""	"COc1ccc(Nc2cc(C)nc(n2)N3CCN(CC3)c4ccnc5cc(Cl)ccc45)cc1"	0	NA	NA	1	1	NA	""
"776928"	"776928"	"N-{4-[(1e)-N-Carbamimidoylbutanehydrazonoyl]phenyl}-5-Me..."	"CCC\C(=N\NC(=N)N)\c1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1"	0	NA	NA	1	1	NA	""
"776971"	"776971"	"3-[5-(2-Phenoxymethyl-benzoimidazol-1-ylmethyl)-[1,3,4]o..."	"Cc1ccc(Oc2nc3ccccc3cc2c4oc(Cn5c(COc6ccccc6)nc7ccccc57)nn4)cc1"	0	NA	NA	1	1	NA	""
"776996"	"776996"	"PI-103"	"Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"371935794"
"776999"	"776999"	""	"CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)N2C=CC(=CC2=O)Nc3ccccc3)B(O)O"	0	NA	NA	1	1	NA	""
"777000"	"777000"	""	"CC(C)C[C@H](NC(=O)CN1C=CC=C(CNC(=O)c2ccccc2)C1=O)B(O)O"	0	NA	NA	2	2	NA	""
"777001"	"777001"	""	"CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N2C=CC(=CC2=O)N3CCCCC3)B(O)O"	0	NA	NA	1	1	NA	""
"777002"	"777002"	""	"CC(C)C[C@H](NC(=O)CN1C=CC(=CC1=O)NCc2ccccc2)B(O)O"	0	NA	NA	2	2	NA	""
"777081"	"777081"	"3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b..."	"Nc1c(sc2nc3CCN(Cc4ccccc4)Cc3cc12)C(=O)Nc5ccccc5"	0	NA	NA	1	1	NA	""
"777082"	"777082"	"3-amino-6-benzyl-N-mesityl-5,6,7,8-tetrahydrothieno[2,3-..."	"Cc1cc(C)c(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c(C)c1"	0	NA	NA	1	1	NA	""
"777084"	"777084"	"3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrot..."	"COc1cccc(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c1"	0	NA	NA	1	1	NA	""
"777085"	"777085"	"3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b..."	"Cc1cccc(NC(=O)c2sc3nc4CCCC(=O)c4cc3c2N)c1"	0	NA	NA	2	2	NA	""
"777095"	"777095"	"4,4'-((1E,4E)-3-oxopenta-1,4-diene-1,5-diyl)bis(4,1-phen..."	"OB(O)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)B(O)O)cc1"	0	NA	NA	1	1	NA	""
"777096"	"777096"	"(E)-4-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron..."	"COc1ccc(\C=C\C(=O)c2ccc(cc2)B(O)O)cc1O"	0	NA	NA	2	1	NA	""
"777174"	"777174"	"(Z)-1-(1H-indol-3-yl)-3-(2-methoxy-5-(3,4,5-trimethoxyst..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N\C=C/C(=O)c3c[nH]c4ccccc34"	0	NA	NA	1	1	NA	""
"777176"	"777176"	"(3-amino-5-ethynyl-6-methoxy-1H-indol-2-yl)(3,4,5-trimet..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#C"	0	NA	NA	1	1	NA	""
"777178"	"777178"	"(3-amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-y..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#CCO"	0	NA	NA	1	1	NA	""
"777179"	"777179"	"(3-amino-5-(cyclopropylethynyl)-6-methoxy-1H-indol-2-yl)..."	"COc1cc(cc(OC)c1OC)C(=O)c2[nH]c3cc(OC)c(cc3c2N)C#CC4CC4"	0	NA	NA	1	1	NA	""
"777180"	"777180"	"(Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3cc(OC)c(OC)c(OC)c3)c1OC"	0	NA	NA	1	1	NA	""
"777183"	"777183"	"Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylamin..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(N\C=C/C(=O)c3c[nH]c4ccccc34)c1OC"	0	NA	NA	1	1	NA	""
"777185"	"777185"	"(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-(3,4,5-trimet..."	"COc1ccc(cc1OC)C(=O)\C=C\c2cc(ccc2OC)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"777187"	"777187"	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(3,4,5-t..."	"COc1ccc(cc1\C=C\C(=O)c2ccc3OCOc3c2)C(=O)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"777193"	"777193"	"LDK-378"	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	"PK:ALK"	"FDA approved"	2	2	NA	"1380575438"
"777194"	"777194"	"Daporinad"	"O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)\C=C\c3cccnc3"	0	"NAMPT|PK:YK"	"Clinical trial"	2	2	NA	"658084641"
"777195"	"777195"	"Aurantimycin A"	"COC[C@@H]1N(O)C(=O)[C@H]2CCCNN2C(=O)[C@@H](NC(=O)[C@](C)(O)[C@]3(O)CC[C@@H](CC(C)C)[C@H](C)O3)[C@@H](OC(=O)[C@@H](C)N(O)C(=O)[C@@H]4CCCNN4C(=O)CNC1=O)C(C)C"	0	NA	NA	2	1	NA	"162478504"
"777196"	"777196"	"(5-(5'-(hydroxymethyl)-[2,2'-bifuran]-5-yl)thiophen-2-yl..."	"OCc1oc(cc1)c2oc(cc2)c3ccc(CO)s3"	0	NA	NA	2	2	NA	""
"777306"	"777306"	""	"CC(C)(C)c1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	NA	""
"777312"	"777312"	""	"Fc1ccc(cc1)S(=O)(=O)Oc2ccc3C4=C(CCCCC4)C(=O)Oc3c2"	0	NA	NA	1	1	NA	""
"777323"	"777323"	""	"Fc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCc3oc(nn3)c4ccccc4"	0	NA	NA	1	1	NA	""
"777334"	"777334"	""	"Fc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccccc5)n4"	0	NA	NA	1	1	NA	""
"777380"	"777380"	"e/z-endoxifen"	"CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCNC)cc2)\c3ccccc3"	0	NA	NA	2	2	NA	""
"777389"	"777389"	"5'-hydroxy-5-nitro indirubin oxime"	"O\N=C\1/C(=C\2/C(=O)Nc3ccc(cc23)[N+](=O)[O-])/Nc4ccc(O)cc14"	0	NA	NA	2	2	NA	""
"777407"	"777407"	"5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(3,4,5-trimeth..."	"COc1cc(cc(OC)c1OC)c2nn[nH]c2c3ccc4OCCOc4c3"	0	NA	NA	1	1	NA	""
"777408"	"777408"	"5-(benzo[d][1,3]dioxol-5-yl)-4-(3,5-dimethoxyphenyl)-1H-..."	"COc1cc(OC)cc(c1)c2nn[nH]c2c3ccc4OCOc4c3"	0	NA	NA	1	1	NA	""
"777422"	"777422"	"(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2cscc2c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"777425"	"777425"	"GDC-0032"	"CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1282512484"
"777445"	"777445"	"GSK-1070916"	"CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5"	0	"PK:AURK"	"Clinical trial"	2	2	NA	"942918072"
"777448"	"777448"	"PFI-1"	"COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2"	0	"BRD"	"Clinical trial"	1	1	NA	"1403764726"
"777486"	"777486"	""	"COc1ccc(c2nc(O)c3c4CCCCc4sc3n2)c5ccccc15"	0	NA	NA	2	2	NA	""
"777571"	"777571"	"BIX-01294"	"COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5"	0	"EHMT2|EHMT1/2"	"Clinical trial"	1	1	NA	"935693622"
"777572"	"777572"	"AZD-8186"	"C[C@@H](Nc1cc(F)cc(F)c1)c2cc(cc3C(=O)C=C(Oc23)N4CCOCC4)C(=O)N(C)C"	0	"PI3KB|PK:PIK3"	"Clinical trial"	2	2	NA	"1627494136"
"777573"	"777573"	"E-7820"	"Cc1ccc(NS(=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13"	0	"Ang|ITG"	"Clinical trial"	2	2	NA	"289483698"
"777574"	"777574"	"tx262"	"CS(=O)(=O)O[C@@H]1[C@H](N(C1=O)c2cc3c4ccccc4ccc3c5ccccc25)c6ccccn6"	0	NA	NA	1	1	NA	""
"777586"	"777586"	"5-aza-T-dCyd"	"NC1=NC(=O)N(C=N1)[C@H]2CC(O)[C@@H](CO)S2"	0	""	"Clinical trial"	1	1	NA	"169514765"
"777638"	"777638"	"AZD-6738"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)S(=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	1	1	NA	""
"777639"	"777639"	"LGK-974"	"Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(cn3)c4cnccn4)cc2C"	0	"Wnt|PORCN"	"Clinical trial"	1	1	NA	"1243244145"
"777718"	"777718"	"VE-822"	"CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)C"	0	"PK:ATR"	"Clinical trial"	2	2	NA	"1232416259"
"777877"	"777877"	"PF-4989216"	"Fc1cc(ccc1c2c(C#N)c(sc2c3nnc[nH]3)N4CCOCC4)C#N"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"1276553093"
"777879"	"777879"	"AM-5992"	"CN(CCO)C1CCN(CC1)c2ccc(Nc3ncc4c5ccnc(F)c5n(C6CCCC6)c4n3)nc2"	0	"PK:CDK,FLT,FLT3"	"Clinical trial"	2	2	NA	"1169694987"
"777886"	"777886"	""	"CC(C)C[C@H](NC(=O)CCN1C=Cc2ccccc2C1=O)B(O)O"	0	NA	NA	1	1	NA	""
"777944"	"777944"	""	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)c4ccc(Cl)cc4)ccc1O"	0	NA	NA	1	1	NA	""
"777946"	"777946"	""	"COc1ccc(cc1)C(=O)n2nc(\C=C\c3ccc(O)c(OC)c3)cc2\C=C\c4ccc(O)c(OC)c4"	0	NA	NA	1	1	NA	""
"777947"	"777947"	""	"COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)C(=O)N)ccc1O"	0	NA	NA	1	1	NA	""
"778252"	"778252"	"Ethyl 3-((5H-pyrrolo[3,2-d]pyrimidin-4-yl)disulfanyl)-2-..."	"CCOC(=O)[C@H](CSSc1ncnc2cc[nH]c12)NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3"	0	NA	NA	2	2	NA	""
"778301"	"778301"	""	"Cc1sc(C)c(c2oc(CO)cc2)c1c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"778304"	"778304"	"Encorafenib"	"COC(=O)N[C@@H](C)CNc1nccc(n1)c2cn(nc2c3cc(Cl)cc(NS(=O)(=O)C)c3F)C(C)C"	0	"PK:BRAF"	"FDA approved"	2	2	NA	""
"778305"	"778305"	"Afuresertib"	"Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	NA	"1047644621"
"778314"	"778314"	"3-amino-N-(3-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro..."	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	NA	""
"778317"	"778317"	"3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocyclooc..."	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccc4Cl"	0	NA	NA	1	1	NA	""
"778318"	"778318"	"3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thien..."	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccc4"	0	NA	NA	2	2	NA	""
"778351"	"778351"	""	"CCCCCCC[C@@H](O)CC(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(C)C)C(=O)N4CCCC4C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc5ccccc5)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc6c[nH]cn6)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc7ccccc7)C(=O)O"	0	NA	NA	2	1	NA	""
"778364"	"778364"	"Defactinib"	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	"PK:FAK"	"Clinical trial"	2	2	NA	"1073160265"
"778366"	"778366"	"EXEL-2280"	"CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C4CC4)cc(n2)N5CCN(C)CC5)on1"	0	"PK:IGF1R,AURK,FGFR,SRC"	"Clinical trial"	2	2	NA	"898280074"
"778367"	"778367"	"ARRY-614"	"Cc1ccc(cc1)n2nc(cc2NC(=O)NCc3cc(F)ccc3Oc4ccc5c(cnn5CCO)c4)C(C)(C)C"	0	"PK:MAPK14"	"Clinical trial"	2	2	NA	"945614120"
"778368"	"778368"	"GSK-2141795"	"Cn1ncc(Cl)c1c2cc(oc2Cl)C(=O)N[C@H](CN)Cc3ccc(F)c(F)c3"	0	"PK:AKT"	"Clinical trial"	2	2	NA	"1047634650"
"778406"	"778406"	"1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]..."	"Cn1cc(c2csc(n2)c3cn(C)c4ncccc34)c5ccccc15"	0	NA	NA	2	2	NA	""
"778407"	"778407"	"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrro..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ccccc34)c5cccnc15"	0	NA	NA	2	2	NA	""
"778410"	"778410"	"3,3'-(1H-pyrrole-2,5-diyl)bis(1-methyl-1H-pyrrolo[2,3-b]..."	"Cn1cc(c2ccc([nH]2)c3cn(C)c4ncccc34)c5cccnc15"	0	NA	NA	2	2	NA	""
"778436"	"778436"	""	"CN(C)CC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CN(C)C)cc5)C(=O)c23)cc1"	0	NA	NA	1	1	NA	""
"778437"	"778437"	""	"O=C(CCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	NA	""
"778438"	"778438"	""	"CCN(CC)CCC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CCN(CC)CC)cc5)C(=O)c23)cc1"	0	NA	NA	2	2	NA	""
"778439"	"778439"	""	"O=C(CN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	NA	""
"778440"	"778440"	""	"O=C(CCCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	1	1	NA	""
"778441"	"778441"	""	"O=C(CCCCN1CCOCC1)Nc2ccc(Cn3nnc4C(=O)c5c(nnn5Cc6ccc(NC(=O)CCCCN7CCOCC7)cc6)C(=O)c34)cc2"	0	NA	NA	2	2	NA	""
"778442"	"778442"	""	"CN(C)CCCC(=O)Nc1ccc(Cn2nnc3C(=O)c4c(nnn4Cc5ccc(NC(=O)CCCN(C)C)cc5)C(=O)c23)cc1"	0	NA	NA	1	1	NA	""
"778448"	"778448"	"Ombrabulin"	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO"	0	"TUBB|Tu-frag"	"Clinical trial"	2	2	NA	"253426243"
"778538"	"778538"	""	"COc1ccc2nc3cc(Cl)ccc3c(N4CCN(CC4)c5ccnc(n5)N6CCOCC6)c2c1"	0	NA	NA	1	1	NA	""
"778540"	"778540"	""	"COc1ccc2nc3cc(Cl)ccc3c(N4CCN(CC4)c5ccnc(n5)N6CCN(C)CC6)c2c1"	0	NA	NA	1	1	NA	""
"778566"	"778566"	""	"CC(=O)N1CC(=CC1=O)Nc2ccc(OC(F)(F)F)cc2"	0	NA	NA	1	1	NA	""
"778590"	"778590"	"Cobimetinib (isomer 1)"	"OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F"	0	"PK:MAP2K,MAP2K1"	"FDA approved"	2	2	NA	"1168091686"
"778653"	"778653"	"(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c..."	"[Cl-][Au+]C1N(Cc2ccccc2)C(=C(N1Cc3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"778665"	"778665"	""	"COc1cc([nH]c1\C=C\2/N=C(C)C(=C2C)C(=O)CCCCCCCCC(=O)O[C@H]3CC[C@H]4C5CCc6cc(O)ccc6C5CC[C@]34C)c7ccc[nH]7"	0	NA	NA	2	2	NA	""
"778746"	"778746"	"FH-535"	"Cc1cc(ccc1NS(=O)(=O)c2cc(Cl)ccc2Cl)[N+](=O)[O-]"	0	"PPARG"	"Clinical trial"	2	1	NA	"108409832"
"778747"	"778747"	"OTX-015"	"Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(O)cc3)c4nnc(C)n24)c5ccc(Cl)cc5)c1C"	0	"BRD"	"Clinical trial"	2	2	NA	"202590985"
"778770"	"778770"	""	"Clc1ccc(Nc2ncnc3c4cccnc4sc23)c(Cl)c1"	0	NA	NA	2	2	NA	""
"778776"	"778776"	""	"Oc1ccc(Nc2ncnc3c4cccnc4sc23)cc1"	0	NA	NA	2	2	NA	""
"778809"	"778809"	"TAK-632"	"Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	"1228591307"
"778810"	"778810"	"VS-5584"	"CC(C)n1c(C)nc2c(nc(nc12)N3CCOCC3)c4cnc(N)nc4"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1246560337"
"778843"	"778843"	"N-(2-carbamoyl-4-chlorophenyl)biphenyl-2-carboxamide"	"NC(=O)c1cc(Cl)ccc1NC(=O)c2ccccc2c3ccccc3"	0	NA	NA	1	1	NA	""
"778871"	"778871"	"NCGC00350716-01"	"COc1cccc(c1)c2oc3ccc(NC(=O)c4ccc(Cl)c(c4)C#N)cc3n2"	0	NA	NA	1	1	NA	""
"778909"	"778909"	"LEE-011"	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N4CCNCC4)nc2n1C5CCCC5"	0	"PK:CDK,CDK4,CDK6"	"FDA approved"	1	1	NA	"1211441983"
"779185"	"779185"	""	"c1(cc2c(cc1)c1cc[n+](c(c1n2CCC)C)CCC(C)C)OCCC(C)C.[Br-]"	0	NA	NA	1	1	NA	""
"779217"	"779217"	"Osimertinib"	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34"	0	"PK:EGFR"	"FDA approved"	2	2	NA	"1421373650"
"779218"	"779218"	"CEP-28122"	"COc1c2CC[C@H](CCc2ccc1Nc3ncc(Cl)c(N[C@@H]4[C@@H]5CC(C=C5)[C@@H]4C(=O)N)n3)N6CCOCC6"	0	"PK:ALK"	"Clinical trial"	2	2	NA	"1022958606"
"779306"	"779306"	""	"COc1cc2OC(=CC(=O)c2c(OC)c1OC)c3cccc(c3)C(=O)Nc4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"779374"	"779374"	"4-(3, 5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin..."	"COc1cc(OC)cc(c1)N2CCN(CC2)C(=O)Nc3nc4cc(F)ccc4nc3OC"	0	NA	NA	2	2	NA	"888478453"
"779401"	"779401"	""	"Cc1ccc(cc1)S(=O)(=O)NC(CCC(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"779404"	"779404"	"RG-7388"	"COc1cc(ccc1NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c3cccc(Cl)c3F)c4ccc(Cl)cc4F)C(=O)O"	0	"MDM2"	"Clinical trial"	2	2	NA	"1229705069"
"779405"	"779405"	"CO-1686"	"COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C"	0	"PK:EGFR"	"FDA approved"	2	2	NA	"1374640706"
"779407"	"779407"	"GNE-617"	"Fc1cc(F)cc(c1)S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2"	0	"NAMPT"	"Clinical trial"	2	2	NA	""
"779704"	"779704"	"K287"	"CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	NA	NA	2	2	NA	"75330755"
"779705"	"779705"	"I518"	"CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12"	0	NA	NA	2	2	NA	"73573883"
"779706"	"779706"	"Pitavastatin calcium"	"O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O"	0	NA	NA	2	2	NA	"147526327"
"779708"	"779708"	"Rosuvastatin calcium"	"CC(C)c1nc(nc(c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(=O)(=O)C"	0	NA	NA	2	2	NA	"147098202"
"779709"	"779709"	"H004"	"CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"	0	NA	NA	2	2	NA	"134523038"
"780019"	"780019"	"PD183805"	"Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl"	0	"PK:EGFR,ERBB2"	"Clinical trial"	2	2	NA	"289499452"
"780020"	"780020"	"spebrutinib"	"COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1"	0	"PK:BTK"	"Clinical trial"	2	2	NA	"1202757898"
"780022"	"780022"	"4-fluoro-N-(3-(4-(6-(4-hydroxyphenyl)imidazo[2,1-b]thiaz..."	"Oc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"780027"	"780027"	"4-methoxy-N-(2-((4-(6-phenylimidazo[2,1-b]thiazol-5-yl)p..."	"COc1ccc(cc1)S(=O)(=O)NCCNc2nccc(n2)c3c(nc4sccn34)c5ccccc5"	0	NA	NA	1	1	NA	""
"780035"	"780035"	"N-(2-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)..."	"COc1ccc(cc1)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(cc5)C(F)(F)F)n4"	0	NA	NA	1	1	NA	""
"780042"	"780042"	"CP-724714"	"COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1"	0	"PK:ERBB2"	"Clinical trial"	2	2	NA	"383432380"
"780108"	"780108"	"PF-06463922"	"C[C@H]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N"	0	"PK:ROS1,ALK"	"FDA approved"	2	2	NA	"1454846355"
"780163"	"780163"	"SOMCL-12-81"	"CC(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3cccc(NC(=O)CN)c3)ncc2Cl"	0	"PK:ALK"	"Clinical trial"	2	2	NA	""
"780167"	"780167"	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)a..."	"Clc1ccc(NCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3)cc1"	0	NA	NA	2	2	NA	""
"780168"	"780168"	"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2,6-dichlorophen..."	"Clc1cccc(Cl)c1NCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3"	0	NA	NA	2	2	NA	""
"780175"	"780175"	"(E)-1-(4-hydroxyphenyl)-3-(2-methoxy-5-(3,4,5-trimethoxy..."	"COc1ccc(cc1\C=C\C(=O)c2ccc(O)cc2)C(=O)c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"780176"	"780176"	"(Z)-4-tert-butyl-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimeth..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c1O"	0	NA	NA	1	1	NA	""
"780182"	"780182"	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(OC)c(OC)c3)c1O"	0	NA	NA	2	2	NA	""
"780183"	"780183"	"(Z)-4-fluoro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(F)cc3)c1O"	0	NA	NA	2	2	NA	""
"780184"	"780184"	"(Z)-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxystyryl)phe..."	"COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(NS(=O)(=O)c3ccc(C)cc3)c1O"	0	NA	NA	2	2	NA	""
"780185"	"780185"	"(Z)-3-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)..."	"COc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc(NS(=O)(=O)c3cccc(Cl)c3)c1OC"	0	NA	NA	1	1	NA	""
"780186"	"780186"	"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-3..."	"COc1ccc(cc1OC)S(=O)(=O)Nc2cc(\C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2OC"	0	NA	NA	1	1	NA	""
"780198"	"780198"	"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(1-(3,4,..."	"COc1ccc(cc1\C=C\C(=O)c2ccc3OCOc3c2)C(=C)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"780203"	"780203"	"selinexor"	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)NNc3cnccn3)n2"	0	"XPO1"	"FDA approved"	2	2	NA	"1393477729"
"780204"	"780204"	"TAS-116"	"CCc1cc(ccc1n2nc(C(C)C)c3c(ccnc23)n4cnc(c4)c5cnn(C)c5)C(=O)N"	0	"HSP90"	"Clinical trial"	2	2	NA	"1260533365"
"780205"	"780205"	"dimethylfasudil"	"C[C@H]1CNCCCN1S(=O)(=O)c2cccc3cncc(C)c23"	0	"RHO"	"Clinical trial"	2	2	NA	"451462581"
"780249"	"780249"	"AZD-6738"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	2	2	NA	"1352226880"
"780250"	"780250"	"AZD-6738 ( R,S-isomer)"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@@](=N)(=O)C"	0	"PK:ATR"	"Clinical trial"	2	2	NA	""
"780290"	"780290"	"SAR-260301 (enantiomer 1)"	"CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4"	0	"PI3KB"	"Clinical trial"	2	2	NA	""
"780291"	"780291"	"SAR-260301 (enantiomer 1)"	"CC1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4"	0	"PI3KB"	"Clinical trial"	2	2	NA	""
"780369"	"780369"	"3-methyl-5-(1-methyl-4-(6-morpholino-2-(pyridin-3-yl)pyr..."	"Cc1cc(O)cc(c1)c2nn(C)cc2c3cc(nc(n3)c4cccnc4)N5CCOCC5"	0	NA	NA	1	1	NA	""
"780381"	"780381"	"(1R,2R,4aS,5R,8aS)-5-((E)-2-((S)-4-acetoxy-2-oxodihydrof..."	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](C\C=C\3/[C@@H](COC3=O)OC(=O)C)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"780404"	"780404"	"AZ-505"	"Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)c4OCC(=O)Nc14"	0	"SETD8|SMYD2"	"Clinical trial"	2	2	NA	"1035227430"
"780423"	"780423"	""	"CC(C)[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C(C)C"	0	NA	NA	1	1	NA	""
"780450"	"780450"	"4-((2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)benz..."	"CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)sc3c2)ccn1"	0	NA	NA	1	1	NA	""
"780453"	"780453"	"MTMSA"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)O"	0	NA	NA	1	1	NA	""
"780454"	"780454"	"mithramycin SA-methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)OC"	0	NA	NA	2	2	NA	""
"780455"	"780455"	"mithramycin SA-L-alanine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](C)C(=O)OC"	0	NA	NA	1	1	NA	""
"780456"	"780456"	"mithramycin SA-L-glycine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)NCC(=O)OC"	0	NA	NA	1	1	NA	""
"780457"	"780457"	"mithramycin SA-L-valine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](C(C)C)C(=O)OC"	0	NA	NA	1	1	NA	""
"780458"	"780458"	"mithramycin SA-L-tryptophan methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9c[nH]c%10ccccc9%10)C(=O)OC"	0	NA	NA	2	2	NA	""
"780459"	"780459"	"mithramycin SA-L-phenylalanine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9ccccc9)C(=O)OC"	0	NA	NA	1	1	NA	""
"780461"	"780461"	"mithramycin SA-L-lysine-O-tBu"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](CCCCNC(=O)OCc9ccccc9)C(=O)OC(C)(C)C"	0	NA	NA	1	1	NA	""
"780462"	"780462"	"mithramycin SA-L-tyrosine methyl ester"	"CO[C@@H]([C@@H]1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)OC"	0	NA	NA	1	1	NA	""
"780549"	"780549"	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(F)c1"	0	NA	NA	1	1	NA	""
"780556"	"780556"	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(OC)c1"	0	NA	NA	1	1	NA	""
"780569"	"780569"	""	"COc1ccc(C(=O)N2c3ccccc3Sc4ccccc24)c(c1)C(F)(F)F"	0	NA	NA	1	1	NA	""
"780575"	"780575"	"N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]-4-methoxyb..."	"COc1ccc(cc1)S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c5ccccc25"	0	NA	NA	1	1	NA	""
"780576"	"780576"	""	"Cc1cc(F)ccc1S(=O)(=O)Nc2cc(c(O)c3ccccc23)c4c(O)ccc5ccccc45"	0	NA	NA	1	1	NA	""
"780580"	"780580"	""	"Oc1c(Br)cc(NS(=O)(=O)c2ccc(F)cc2)c3ccccc13"	0	NA	NA	1	1	NA	""
"780720"	"780720"	"4-(2-(2,6-dichlorobenzylthio)-4-oxothieno[3,2-d]pyrimidi..."	"OC(=O)CCCN1C(=Nc2ccsc2C1=O)SCc3c(Cl)cccc3Cl"	0	NA	NA	1	1	NA	""
"780813"	"780813"	"1-phenyl-3-(trifluoromethyl)-1,2,4-benzotriazin-7(1H)-one"	"FC(F)(F)C1=NN(C2=CC(=O)C=CC2=N1)c3ccccc3"	0	NA	NA	1	1	NA	""
"780815"	"780815"	"1-phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccc3)c4ccccn4"	0	NA	NA	1	1	NA	""
"780816"	"780816"	"3-phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one"	"O=C1C=CC2=NC(=NN(C2=C1)c3ccccn3)c4ccccc4"	0	NA	NA	1	1	NA	""
"780876"	"780876"	""	"CN(C1CCCCC1)c2cc3N=CC(=O)Nc3cc2NC(=N)NCc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"780879"	"780879"	"3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin..."	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	1	1	NA	"1009298592"
"780880"	"780880"	"3-(2-aminobenzo[d]oxazol-5-yl)-1-isopropyl-1H-pyrazolo[3..."	"CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14"	0	NA	NA	2	1	NA	"1224844385"
"780881"	"780881"	"1-(4-(4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)phen..."	"O=C(Nc1ccc(cc1)c2nc(N3CCOCC3)c4cccn4n2)Nc5cccnc5"	0	NA	NA	1	1	NA	""
"780882"	"780882"	"1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(..."	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(N5CCOCC5)c6cccn6n4)cc2"	0	NA	NA	2	2	NA	""
"780883"	"780883"	"1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(4-morp..."	"CN1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(N5CCOCC5)c6cccn6n4)cc2"	0	NA	NA	2	2	NA	""
"780889"	"780889"	"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,6]naphthy..."	"CN(C)CCCN1C(=O)c2ccncc2C3=C1c4ccccc4C3=O"	0	NA	NA	1	1	NA	""
"780891"	"780891"	"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,7]naphthy..."	"CN(C)CCCN1C(=O)c2cnccc2C3=C1c4ccccc4C3=O"	0	NA	NA	1	1	NA	""
"780892"	"780892"	"6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-5H-[1,3]dioxolo[..."	"Clc1ccc2C3=C(N(CCCn4ccnc4)C(=O)c2c1)c5cc6OCOc6cc5C3=O"	0	NA	NA	1	1	NA	""
"780893"	"780893"	"(S)-3-chloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo[4',..."	"OC[C@@H](O)CN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"780895"	"780895"	"6-(3-((2-hydroxyethyl)amino)propyl)-9-methoxy-5H-pyrido[..."	"COc1cnc2C3=C(C(=O)c2c1)c4cnccc4C(=O)N3CCCNCCO"	0	NA	NA	1	1	NA	""
"780897"	"780897"	"(S)-6-(2,3-dihydroxypropyl)-3-(methylthio)-5H-indeno[1,2..."	"CSc1ccc2C3=C(N(C[C@H](O)CO)C(=O)c2c1)c4ccccc4C3=O"	0	NA	NA	1	1	NA	""
"780901"	"780901"	"(1'S,7a'R)-7'-methoxy-6'-methyl-1'-phenyl-1'H-spiro[cycl..."	"COC1=C(C)C(=O)N2[C@@H]1[C@@H](OC23C=CC(=O)C=C3)c4ccccc4"	0	NA	NA	2	2	NA	""
"780927"	"780927"	"(2Z,4E)-5-(3-chlorophenyl)-2-(methylsulfinyl)penta-2,4-d..."	"CS(=O)\C(=C/C=C/c1cccc(Cl)c1)\C#N"	0	NA	NA	1	1	NA	""
"780928"	"780928"	"(2E)-2-{(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-yl..."	"FC(F)(F)c1cccc(\C=C\C=C/2\C(=O)NCCS2(=O)=O)c1"	0	NA	NA	1	1	NA	""
"780931"	"780931"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)NCCCCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"780932"	"780932"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-5-yl)methyl) octane-1,8-diyldicarbamate"	"C[C@@]12CC\C=C(\COC(=O)NCCCCCCCCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"780953"	"780953"	"4-((2-(3-(2,4-difluorophenyl)ureido)quinolin-5-yl)oxy)-N..."	"CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4ccc(F)cc4F)ccc23)ccn1"	0	NA	NA	1	1	NA	""
"780956"	"780956"	"4-((2-(3-(3,4-dichlorophenyl)ureido)benzo[d]thiazol-6-yl..."	"CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1"	0	NA	NA	1	1	NA	""
"780957"	"780957"	"N6-(3,5-dimethylphenyl)-N2-(2-morpholinoethyl)-3-nitropy..."	"Cc1cc(C)cc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+](=O)[O-])c1"	0	NA	NA	2	2	NA	""
"780958"	"780958"	"N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitro..."	"Cc1ccnc(Nc2ccc(c(NCCN3CCOCC3)n2)[N+](=O)[O-])c1"	0	NA	NA	2	2	NA	""
"780965"	"780965"	"MK-0731"	"CN([C@H]1CCN(C)C[C@H]1F)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(F)ccc4F"	0	"CDH16|KIF11"	"Clinical trial"	2	2	NA	"845256657"
"780982"	"780982"	"(9-ethyl-9H-carbazol-3-yl)(quinolin-5-yl)methanol"	"CCn1c2ccccc2c3cc(ccc13)C(O)c4cccc5ncccc45"	0	NA	NA	2	2	NA	""
"780985"	"780985"	""	"COc1ncc2cc1NS(=O)(=O)c3cccc(c3)C(=O)NCc4ccc(s4)c5ncnc6c(C)c2sc56"	0	NA	NA	1	1	NA	""
"781008"	"781008"	"maritoclax"	"Oc1ccccc1C(=O)c2[nH]c(Cl)c(Cl)c2n3c(Cl)c(Cl)cc3C(=O)c4ccccc4O"	0	"MCL1"	"Clinical trial"	1	1	NA	"1227962620"
"781009"	"781009"	"MI-773"	"CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]13C(=O)Nc4cc(Cl)ccc34)C(=O)N[C@@H]5CC[C@@H](O)CC5"	0	"MDM2"	"Clinical trial"	1	1	NA	"1303607079"
"781010"	"781010"	"2-Allyl-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione"	"C=CCN1C(=O)c2cccc3c(ccc(C1=O)c23)N4CCOCC4"	0	NA	NA	1	1	NA	""
"781016"	"781016"	"BAY-87-2243"	"Cc1cc(nn1Cc2ccnc(c2)N3CCN(CC3)C4CC4)c5onc(n5)c6ccc(OC(F)(F)F)cc6"	0	"HIF1"	"Clinical trial"	2	2	NA	"1227158851"
"781076"	"781076"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccccc4N)\C"	0	NA	NA	2	2	NA	""
"781077"	"781077"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4)\C"	0	NA	NA	2	2	NA	""
"781078"	"781078"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4F)\C"	0	NA	NA	2	2	NA	""
"781079"	"781079"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)c(c4)C(F)(F)F)\C"	0	NA	NA	2	2	NA	""
"781080"	"781080"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)c(F)c4)\C"	0	NA	NA	2	2	NA	""
"781084"	"781084"	""	"OC1CSSC1Cn2cnc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc23"	0	NA	NA	2	2	NA	""
"781085"	"781085"	""	"Nc1ncnc2c1c(nn2CC3SSCC3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"781097"	"781097"	""	"COC12CCCCCCCCC(=O)\C(=C\3/OC(CCCCCCCCC(=O)\C(=C(/O1)\C=C2)\C(=O)OCc4ccncc4)(OC)C=C3)\C(=O)OCc5ccncc5"	0	NA	NA	1	1	NA	""
"781102"	"781102"	""	"COC12CCCCCCCCC(=O)\C(=C\3/OC(CCCCCCCCC(=O)\C(=C(/O1)\C=C2)\C(=O)OCc4csc(SC)n4)(OC)C=C3)\C(=O)OCc5cnc(SC)s5"	0	NA	NA	1	1	NA	""
"781113"	"781113"	"7-chloro-3-phenyl-5-(pyridin-3-yl)-thiazolo[4,5-d]pyrimi..."	"Clc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4cccnc4"	0	NA	NA	1	1	NA	""
"781114"	"781114"	"7-amino-5-(4-chlorophenyl)-3-phenyl-thiazolo[4,5-d]pyrim..."	"Nc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"781136"	"781136"	""	"COc1ccc(CCN2CCCN3C(=O)c4ccccc4N=C23)cc1"	0	NA	NA	2	2	NA	""
"781137"	"781137"	""	"COc1ccc(CCN2CCCN3C2=Nc4ccccc4S3(=O)=O)cc1"	0	NA	NA	1	1	NA	""
"781140"	"781140"	""	"COc1ccc(CCN2CC=CN3C(=O)c4ccccc4N=C23)cc1"	0	NA	NA	2	2	NA	""
"781141"	"781141"	"N-(4-(morpholinomethyl)phenyl)-4-(thieno[2,3-d]pyrimidin..."	"O=C(Nc1ccc(CN2CCOCC2)cc1)c3n[nH]cc3Nc4ncnc5sccc45"	0	NA	NA	1	1	NA	""
"781142"	"781142"	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[2..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5sccc45)cc2)CC1"	0	NA	NA	1	1	NA	""
"781143"	"781143"	"4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-meth..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5[nH]ccc45)cc2)CC1"	0	NA	NA	1	1	NA	""
"781144"	"781144"	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[3..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ccnc5ccsc45)cc2)CC1"	0	NA	NA	1	1	NA	""
"781146"	"781146"	"4-((6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5CCCc45)cc2)CC1"	0	NA	NA	1	1	NA	""
"781147"	"781147"	"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(quinazol..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5ccccc45)cc2)CC1"	0	NA	NA	1	1	NA	""
"781148"	"781148"	"CEP-37440"	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc4C[C@H](CCCc4c3OC)N5CCN(CCO)CC5)ncc2Cl"	0	"PK:ALK,FAK"	"Clinical trial"	1	1	NA	"1391712609"
"781168"	"781168"	"4-((2-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoro..."	"CCN1CCN(Cc2ccc(NC(=O)Nc3nc4ccc(Oc5ccnc(c5)C(=O)NC)cc4s3)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"781303"	"781303"	""	"Clc1ccc(NC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1"	0	NA	NA	1	1	NA	""
"781335"	"781335"	"6-(6-Hydroxy-13-methyl-5,7-dioxo-6,7-dihydro-5H-indolo[2..."	"Cn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6n(CCCCCC#N)c5c13"	0	NA	NA	1	1	NA	""
"781336"	"781336"	"6-(6-Hydroxy-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrro..."	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CCCCCC#N)c3c5[nH]c6ccccc6c25"	0	NA	NA	1	1	NA	""
"781339"	"781339"	"13,14-Dimethyl-13,14-dihydroindolo[2,3-a]pyrimido[4,5-c]..."	"Cn1c2ccccc2c3c4NC(=O)NC(=O)c4c5c6ccccc6n(C)c5c13"	0	NA	NA	1	1	NA	""
"781343"	"781343"	"GDC-0994"	"Cn1nccc1Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(Cl)c(F)c4"	0	"PK:ERK,MAP3K,MAPK1"	"Clinical trial"	2	2	NA	"1453848264"
"781344"	"781344"	"NMS-1286937"	"CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(CCO)c5c4n3)C(=O)N)c2"	0	"PK:PLK1"	"Clinical trial"	2	2	NA	"1034616186"
"781401"	"781401"	"6-(3-(dimethylamino)propoxy)-9-methyl-11H-indeno[1,2-c]q..."	"CN(C)CCCOc1nc2ccccc2c3C(=O)c4cc(C)ccc4c13"	0	NA	NA	1	1	NA	""
"781402"	"781402"	"6-(2-(dimethylamino)ethoxy)-3,9-dimethoxy-11H-indeno[1,2..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCN(C)C)nc4cc(OC)ccc34"	0	NA	NA	1	1	NA	""
"781403"	"781403"	"9-chloro-6-(3-(dimethylamino)propoxy)-3-methoxy-11H-inde..."	"COc1ccc2c3C(=O)c4cc(Cl)ccc4c3c(OCCCN(C)C)nc2c1"	0	NA	NA	1	1	NA	""
"781404"	"781404"	"3-bromo-6-(3-(dimethylamino)propoxy)-9-methoxy-11H-inden..."	"COc1ccc2c(c1)C(=O)c3c2c(OCCCN(C)C)nc4cc(Br)ccc34"	0	NA	NA	1	1	NA	""
"781405"	"781405"	"N-hydroxy-7-(9-methoxy-6,11-dioxo-6,11-dihydro-5H-indeno..."	"COc1ccc2C3=C(C(=O)c2c1)c4ccccc4N(CCCCCCC(=O)NO)C3=O"	0	NA	NA	1	1	NA	""
"781406"	"781406"	"2,4-difluoro-N-(2-methoxy-5-(4-(3-(4-(methylsulfonyl)pip..."	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCN5CCN(CC5)S(=O)(=O)C)c4c3"	0	""	""	2	2	127025628	""
"781411"	"781411"	"(S,E)-methyl 5-(4-chlorophenyl)-2-hydroxy -3-oxo-2-(2-ph..."	"COC(=O)[C@](O)(CC(=C)c1ccccc1)C(=O)\C=C\c2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"781421"	"781421"	"COG112"	""	0	NA	NA	1	1	NA	""
"781429"	"781429"	"OP449"	""	0	NA	NA	1	1	NA	""
"781433"	"781433"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccccc17"	0	NA	NA	2	2	NA	""
"781434"	"781434"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(F)cc17"	0	NA	NA	2	2	NA	""
"781435"	"781435"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(Cl)cc17"	0	NA	NA	2	2	NA	""
"781436"	"781436"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(Br)cc16"	0	NA	NA	1	1	NA	""
"781437"	"781437"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)N(Cc6ccccc6)c7ccc(Br)cc17"	0	NA	NA	2	2	NA	""
"781439"	"781439"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(F)cc16"	0	NA	NA	1	1	NA	""
"781440"	"781440"	""	"OC1(CC(=O)c2ccc(cc2)C(=O)NCC3CCC4(CC3)OOC5(CCCCC5)OO4)C(=O)Nc6ccc(Cl)cc16"	0	NA	NA	2	2	NA	""
"781445"	"781445"	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4cc(C)on4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"781466"	"781466"	""	"CC(C)C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)C2CNCCN2)B3OC4CCC(C[C@H](N)C(=O)N[C@@H](Cc5ccc6OB(Oc6c5)[C@@H](CC(C)C)NC(=O)[C@@H](Cc7ccccc7)NC(=O)c8cnccn8)C(=O)N[C@@H](Cc9ccc%10OB(Oc%10c9)[C@@H](CC(C)C)NC(=O)[C@@H](Cc%11ccccc%11)NC(=O)c%12cnccn%12)C(=O)NCCCC[C@@H]%13NC(=O)[C@@H](Cc%14ccccc%14)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC%13=O)CC4O3"	0	NA	NA	2	1	NA	""
"781468"	"781468"	"CUDC-427"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)Nc3sc(nc3c4ccccc4)c5occn5"	0	"IAP"	"Clinical trial"	2	2	NA	"1446182940"
"781470"	"781470"	"PF-03758309"	"CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5"	0	"PK:PAK4"	"Clinical trial"	2	2	NA	"1279034842"
"781471"	"781471"	""	"CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B3O[C@@H]4[C@H](CN)O[C@@H]([C@@H](O)[C@@H]4O3)C(=O)NCCCC[C@@H]5NC(=O)[C@@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC5=O"	0	NA	NA	2	2	NA	""
"781480"	"781480"	""	"COc1ccc(cc1F)C2=CC(=O)Oc3ccc(Cl)cc23"	0	NA	NA	2	2	NA	""
"781481"	"781481"	""	"CNc1ccc(cc1)C2=CC(=O)Oc3ccc(Cl)cc23"	0	NA	NA	2	2	NA	""
"781491"	"781491"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3cc(n(n3)c4ccc(N)cc4)C(F)(F)F)\C"	0	NA	NA	2	2	NA	""
"781492"	"781492"	""	"C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3ccn(n3)c4ccc(N)cc4C(F)(F)F)\C"	0	NA	NA	1	1	NA	""
"781493"	"781493"	""	"C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C#C)c5ccc(cc5)C6CC6"	0	NA	NA	2	2	NA	""
"781494"	"781494"	""	"CC(=O)c1ccc(cc1)[C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C#C)[C@@H]4CCC5=CC(=O)CCC5=C24"	0	NA	NA	2	2	NA	""
"781515"	"781515"	"AMG-232"	"CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3"	0	"MDM2"	"Clinical trial"	2	2	NA	"1352066682"
"781516"	"781516"	"entosplenitib"	"C1CN(CCO1)c2ccc(Nc3nc(cn4ccnc34)c5ccc6cn[nH]c6c5)cc2"	0	"PK:SYK"	"Clinical trial"	1	1	NA	"1229208449"
"781517"	"781517"	"3-fluoro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio..."	"OCCNCCCN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"781519"	"781519"	"3-fluoro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"781520"	"781520"	"3-chloro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"781521"	"781521"	"3-chloro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio..."	"OCCNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"781522"	"781522"	"3-fluoro-6-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1..."	"OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)c2cc(F)ccc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"781551"	"781551"	""	"CCCOC(=O)c1[nH]c2ccc(OC)cc2c1\C=C\C(=O)c3ccncc3"	0	NA	NA	2	2	NA	""
"781556"	"781556"	"JNJ-42756493"	"COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4"	0	"PK:FGFR,FGFR1,FGFR2,FGFR3,FGFR4"	"FDA approved"	1	1	NA	"1346242816"
"781590"	"781590"	"9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole"	"CCn1c2ccccc2c3cc(ccc13)C(=O)c4ccc(C)c5ccccc45"	0	NA	NA	1	1	NA	""
"781595"	"781595"	""	"COc1ccc2[nH]c(cc2c1)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	NA	""
"781596"	"781596"	""	"C[C@@]12CC\C=C(\COC(=O)c3cc4cc(Cl)ccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"781599"	"781599"	"4-(benzo[b]thiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-1,2..."	"COc1ccc(cc1OC)c2n[nH]nc2c3csc4ccccc34"	0	NA	NA	1	1	NA	""
"781600"	"781600"	"4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyph..."	"COc1cc(cc(OC)c1OC)c2nn(C)nc2c3cc4ccccc4s3"	0	NA	NA	1	1	NA	""
"781615"	"781615"	""	"CCCOc1cc2ccccc2cc1C(=O)Nc3nc(N)c4c(ccc5[nH]ccc45)n3"	0	NA	NA	1	1	NA	""
"781616"	"781616"	""	"CCCOc1cc2ccccc2cc1C(=O)Nc3nc(NC)c4c(ccc5[nH]ccc45)n3"	0	NA	NA	1	1	NA	""
"781619"	"781619"	"14-15-Cyclopropanovindesine-sulfate"	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](O)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)N)C1"	0	NA	NA	2	2	NA	""
"781623"	"781623"	""	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CCSS5"	0	NA	NA	2	2	NA	""
"781627"	"781627"	"GSK-2606414"	"Cn1cc(c2ccc3N(CCc3c2)C(=O)Cc4cccc(c4)C(F)(F)F)c5c(N)ncnc15"	0	"PK:EIF2AK3"	"Clinical trial"	1	1	NA	"1337531368"
"781665"	"781665"	"2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8..."	"c1ccc2c(c1O)nc(cc2C(=O)/C=C/c1c2c(c(cc1)O)nc(cc2)C)C.Cl"	0	NA	NA	1	1	NA	""
"781666"	"781666"	"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(4-morpholinyl-me..."	"Oc1cccc2ccc(N\N=C\c3cc(CN4CCOCC4)c(O)c5ncccc35)nc12"	0	NA	NA	2	2	NA	""
"781667"	"781667"	"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(1-piperidinyl-me..."	"Oc1cccc2ccc(N\N=C\c3cc(CN4CCCCC4)c(O)c5ncccc35)nc12"	0	NA	NA	1	1	NA	""
"781668"	"781668"	"2-Propen-1-one, 1,3-bis[8-hydroxy-7-(4-morpholinylmethyl..."	"Oc1c(CN2CCOCC2)cc(\C=C\C(=O)c3cc(CN4CCOCC4)c(O)c5ncccc35)c6cccnc16"	0	NA	NA	2	2	NA	""
"781671"	"781671"	"2-Propen-1-one, 1,3-bis[8-hydroxy-2-methyl-7-(4-morpholi..."	"Cc1ccc2c(\C=C\C(=O)c3cc(CN4CCOCC4)c(O)c5nc(C)ccc35)cc(CN6CCOCC6)c(O)c2n1"	0	NA	NA	1	1	NA	""
"781761"	"781761"	"LY-3009120"	"CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C"	0	"PK:BRAF,RAF1"	"Clinical trial"	2	2	NA	"1454682724"
"781769"	"781769"	""	"C=CC\N=C\1/NC(=O)\C(=C/c2c[nH]c3ncccc23)\S1"	0	NA	NA	1	1	NA	""
"781773"	"781773"	""	"O=C1N\C(=N/CCc2ccccc2)\S/C/1=C/c3c[nH]c4ncccc34"	0	NA	NA	1	1	NA	""
"781776"	"781776"	""	"ICC(=O)NC(=O)NC(=O)NCc1ccccc1"	0	NA	NA	1	1	NA	""
"781861"	"781861"	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4ncccn4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"781862"	"781862"	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4nccc(C)n4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"781894"	"781894"	"ethyl [6-(pentylsulfanyl)-1,3-benzothiazol-2-yl]carbamate"	"CCCCCSc1ccc2nc(NC(=O)OCC)sc2c1"	0	NA	NA	1	1	NA	""
"781929"	"781929"	"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,..."	"Nc1nc2c3ccncc3CC(c4cccc(Br)c4)c2c5cnccc15"	0	NA	NA	1	1	NA	""
"781932"	"781932"	"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[4,3-c][1..."	"Nc1nc2c3ccncc3CC(c4cccc(Cl)c4)c2c5cnccc15"	0	NA	NA	1	1	NA	""
"781933"	"781933"	"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-..."	"Nc1nc2c3ccncc3CC(c4ccc(Cl)c(Cl)c4)c2c5cnccc15"	0	NA	NA	1	1	NA	""
"781954"	"781954"	""	"COc1cc2ncnc(c2cc1OC)n3ncc4cc(NC(=O)Nc5ccccc5)ccc34"	0	NA	NA	1	1	NA	""
"781956"	"781956"	""	"COc1cc2ncnc(c2cc1OC)n3ncc4cc(NC(=O)Nc5ccc(Cl)c(Cl)c5)ccc34"	0	NA	NA	1	1	NA	""
"781960"	"781960"	""	"OC(Cn1cc(\C=C\2/C(=O)Nc3ccccc23)c4ccccc14)Cn5cc(\C=C\6/C(=O)Nc7ccccc67)c8ccccc58"	0	NA	NA	1	1	NA	""
"782006"	"782006"	"PTC-691"	"FC(F)(F)c1ccc(Nc2nc(cs2)c3c(nc4ccccn34)C(F)(F)F)cc1"	0	"PK:RET"	"Clinical trial"	2	2	NA	"420126303"
"782007"	"782007"	"AZ-628"	"CN1C=Nc2ccc(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)cc2C1=O"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	"878739061"
"782011"	"782011"	""	"NC(=N)c1ccc(cc1)c2ccc(s2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	1	1	NA	""
"782013"	"782013"	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"782052"	"782052"	"11,13-dimethoxy-5,8,9,13b-tetrahydro-6H-isoquinolino[2,1..."	"COc1cc2CCN3C(c4ccccc4NC3=O)c2c(OC)c1"	0	NA	NA	1	1	NA	""
"782074"	"782074"	"2-(2-hydroxy-3-methoxy-13-oxo-[1,3]dioxolo[4',5':4,5]ben..."	"COc1cc2c(cc1O)C(=O)N(CCN(C)C)c3c2cnc4cc5OCOc5cc34"	0	NA	NA	2	2	NA	""
"782118"	"782118"	"N-(2-aminophenyl)-4-(4-{[4-(2-hydrazinyle thyl)phenyl]am..."	"NNCCc1ccc(NC(=O)CCCc2ccc(cc2)C(=O)Nc3ccccc3N)cc1"	0	NA	NA	1	1	NA	""
"782120"	"782120"	"3-Bromopyruvic acid"	"OC(=O)C(=O)CBr"	0	NA	NA	1	1	NA	"1113593"
"782121"	"782121"	"Volitinib"	"C[C@@H](c1ccc2nccn2c1)n3nnc4ncc(nc34)c5cnn(C)c5"	0	"PK:MET"	"Clinical trial"	1	1	NA	"1313725880"
"782122"	"782122"	"AMG-511"	"COc1ncc(Nc2ncc(cc2c3nc(C)nc(N)n3)[C@@H](C)N4CCN(CC4)S(=O)(=O)C)cc1F"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1253573533"
"782125"	"782125"	"JNJ-54302833"	"Cn1cc(cn1)c2ccc(cc2)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7"	0	"FASN"	"Clinical trial"	1	1	NA	"1579514161"
"782133"	"782133"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782134"	"782134"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCCO)C=CC1=O"	0	NA	NA	1	1	NA	""
"782135"	"782135"	""	"CC\C=C/C[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	2	2	NA	""
"782137"	"782137"	""	"COC(=O)CCC\C=C/C[C@H]1C=CC(=O)/C/1=C/C[C@@H](O)C\C=C/CC(F)(F)F"	0	NA	NA	1	1	NA	""
"782138"	"782138"	""	"CC\C=C/C\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)O)C=CC1=O"	0	NA	NA	1	1	NA	""
"782139"	"782139"	""	"CC\C=C/C\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782153"	"782153"	"MG-132"	"CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O"	0	"PSM"	"Clinical trial"	1	1	NA	"133407826"
"782154"	"782154"	"3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2..."	"Oc1ccc(cc1F)C2(C(=O)Nc3ccccc23)c4ccc(O)c(F)c4"	0	"ESR"	""	2	2	NA	""
"782164"	"782164"	"CX-5461"	"CN1CCCN(CC1)c2ccc3C(=O)C(=C4Sc5ccccc5N4c3n2)C(=O)NCc6cnc(C)cn6"	0	"RNA polymerase I"	"Clinical trial"	2	2	NA	"1138549366"
"782180"	"782180"	"5-(((4-isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmet..."	"CC(C)c1ccc(COCc2cc(CN3CCCC3)c(O)c4ncccc24)cc1"	0	"IAP"	""	2	2	NA	""
"782181"	"782181"	"5-((benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-..."	"Oc1c(CN2CCCC2)cc(COCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	NA	""
"782182"	"782182"	"5-(((4-bromobenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)..."	"Oc1c(CN2CCCC2)cc(COCc3ccc(Br)cc3)c4cccnc14"	0	NA	NA	1	1	NA	""
"782183"	"782183"	""	"Oc1c(CN2CCOCC2)cc(COCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	NA	""
"782184"	"782184"	""	"Oc1c(CN2CCCC2)cc(CSCc3ccccc3)c4cccnc14"	0	NA	NA	1	1	NA	""
"782185"	"782185"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"782186"	"782186"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2[nH]cc(C(=O)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	3	2	NA	""
"782187"	"782187"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3cn(Cc4ccccc4)c5ccccc35)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"782188"	"782188"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)C(=O)c3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"782189"	"782189"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"Cn1cc(C(=O)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c5cc(Cl)ccc15"	0	NA	NA	1	1	NA	""
"782190"	"782190"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2c(c1)c(cn2C)C(=O)C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	3	2	NA	""
"782200"	"782200"	""	"COc1cc(\C=C/c2cc(\C=C/c3ccc(O)c(OC)c3)n(n2)C(=O)COc4ccc(Cl)cc4Cl)ccc1O"	0	NA	NA	1	1	NA	""
"782203"	"782203"	"8-Quinolinol, 5,5'-methylenebis-[7-[4-(4-morpholinyl)-1-..."	"Oc1c(CN2CCC(CC2)N3CCOCC3)cc(Cc4cc(CN5CCC(CC5)N6CCOCC6)c(O)c7ncccc47)c8cccnc18"	0	NA	NA	1	1	NA	""
"782249"	"782249"	"(6-amino-3-(4-methoxyphenyl)-1H-indazol-1-yl)(3,4,5-trim..."	"COc1ccc(cc1)c2nn(C(=O)c3cc(OC)c(OC)c(OC)c3)c4cc(N)ccc24"	0	NA	NA	2	2	NA	""
"782250"	"782250"	"(5-amino-3-(4-methylpiperazin-1-yl)-1H-indazol-1-yl)(3,4..."	"COc1cc(cc(OC)c1OC)C(=O)n2nc(N3CCN(C)CC3)c4cc(N)ccc24"	0	NA	NA	1	1	NA	""
"782285"	"782285"	""	"CC\C=C/C\C=C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782289"	"782289"	""	"CC\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782290"	"782290"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)N(C)C)C=CC1=O"	0	NA	NA	1	1	NA	""
"782291"	"782291"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OCCS(=O)(=O)c2ccccc2)C=CC1=O"	0	NA	NA	1	1	NA	""
"782311"	"782311"	""	"O=C(N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)c4cccnc4"	0	NA	NA	1	1	NA	""
"782330"	"782330"	""	"C[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N1C)c4ccccc4"	0	NA	NA	2	2	NA	""
"782342"	"782342"	""	"C[C@@]12CC\C=C(\COC(=O)c3cc4ccccc4s3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"782349"	"782349"	"4-(N)-docosahexaenoyl gemcitabine"	"CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F"	0	NA	NA	3	3	NA	""
"782360"	"782360"	""	"FC(F)(F)c1cccc(c1)[C@@H]2C[C@]3(O[C@@H](O2)c4cccc(c4)C(F)(F)F)OC(=O)C=C3"	0	NA	NA	1	1	NA	""
"782361"	"782361"	""	"COc1cccc2cc(ccc12)N(C)c3nc(C)nc4CCCc34"	0	NA	NA	2	2	NA	""
"782362"	"782362"	"PWT-33597"	"COc1cccc2c1nc(C(F)F)n2c3nc(nc(n3)c4ccc(NS(=O)(=O)CCN(C)C)cc4)N5CCOCC5"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1246203326"
"782363"	"782363"	"CH-5183284"	"Cc1nc2cc(ccc2[nH]1)n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N"	0	"PK:PDGFR,FGFR,VEGFR,FGFR1,FGFR2,FGFR3"	"Clinical trial"	1	1	NA	"1265229251"
"782369"	"782369"	"(2Z,4E)-5-phenyl-2-(phenylsulfinyl)penta-2,4-dienenitrile"	"O=S(\C(=C/C=C/c1ccccc1)\C#N)c2ccccc2"	0	NA	NA	1	1	NA	""
"782371"	"782371"	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccccc14"	0	NA	NA	1	1	NA	""
"782372"	"782372"	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4cccc(F)c14"	0	NA	NA	1	1	NA	""
"782378"	"782378"	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)OC(C)(C)C)cc14"	0	NA	NA	1	1	NA	""
"782379"	"782379"	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)CCN5CCCC5)cc14"	0	NA	NA	1	1	NA	""
"782392"	"782392"	"variamycin SK"	"CO[C@H]([C@@H](O)C(=O)C)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6"	0	NA	NA	2	2	NA	""
"782393"	"782393"	"variamycin SDK"	"CO[C@@H](C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1OC6CC(OC7CC(OC8CC(O)C(OC)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(=O)C"	0	NA	NA	2	2	NA	""
"782394"	"782394"	"variamycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](O)[C@H](OC)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	NA	"12677111"
"782482"	"782482"	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Sc3ccccc3)C4=CCOC4=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"782483"	"782483"	""	"C[C@H](O)C(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]3CCC(=C3[C@@H]2OC(=O)\C=C\c4ccccc4)C)C(C)C"	0	NA	NA	2	2	NA	""
"782487"	"782487"	""	"CC(C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[C@@H]3CCC(=C3[C@@H]2OC(=O)C4CC4c5ccccc5)C"	0	NA	NA	2	2	NA	""
"782488"	"782488"	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@](C[C@H]3OC(=O)CO)(C4CCCCC4)[C@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"782489"	"782489"	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@](C[C@H]3OC(=O)CO)(C4CC4)[C@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"782490"	"782490"	""	"CC1=C2[C@@H](CC1)[C@]3(C)O[C@@](C[C@H]3OC(=O)CO)([C@H]2OC(=O)\C=C\c4ccccc4)c5ccccc5"	0	NA	NA	2	2	NA	""
"782512"	"782512"	""	"NC1=C(C#N)C(c2ccc(F)cc2)c3sc4c(Br)cccc4c3O1"	0	NA	NA	1	1	NA	""
"782513"	"782513"	""	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4c(Br)cccc34)C#N"	0	NA	NA	1	1	NA	""
"782522"	"782522"	""	"COc1cc(\C=C/c2cc(\C=C/c3ccc(O)c(OC)c3)n(n2)C(=O)CNc4ccc(Cl)cc4)ccc1O"	0	NA	NA	1	1	NA	""
"782533"	"782533"	"4-chloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[..."	"CC1Cc2c(Cl)ncnc2N(C)c3ccccc13"	0	NA	NA	1	1	NA	""
"782535"	"782535"	"4-chloro-6,8,11-trimethyl-6,11-dihydro-5H-benzo[b]pyrimi..."	"CC1Cc2c(Cl)ncnc2N(C)c3ccc(C)cc13"	0	NA	NA	1	1	NA	""
"782537"	"782537"	"4-chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5H-benzo[b..."	"COc1ccc2N(C)c3ncnc(Cl)c3CC(C)c2c1"	0	NA	NA	2	2	NA	""
"782539"	"782539"	"4-chloro-8-methoxy-2,6,11-trimethyl-6,11-dihydro-5H-benz..."	"COc1ccc2N(C)c3nc(C)nc(Cl)c3CC(C)c2c1"	0	NA	NA	1	1	NA	""
"782548"	"782548"	"4-(1H-benzo[d]imidazol-1-yl)-8-methoxy-6,11-dimethyl-6,1..."	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4cnc5ccccc45"	0	NA	NA	1	1	NA	""
"782549"	"782549"	"Defactinib"	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	"PK:FAK"	"Clinical trial"	2	2	NA	"1073154854"
"782636"	"782636"	""	"COc1c(C)cnc(Cn2cc(Cc3ccccc3)c4c(Cl)nc(N)nc24)c1C"	0	NA	NA	1	1	NA	""
"782638"	"782638"	""	"Nc1nc(Nc2ccccc2)c3ncn(Cc4cc5OCOc5cc4Br)c3n1"	0	NA	NA	2	2	NA	""
"782647"	"782647"	""	"COC(=O)[C@@H](NC(=O)NC(=O)NC(=O)CI)C(C)C"	0	NA	NA	1	1	NA	""
"782648"	"782648"	""	"CCC(C)[C@H](NC(=O)NC(=O)NC(=O)CI)C(=O)OC"	0	NA	NA	1	1	NA	""
"782649"	"782649"	""	"COC(=O)[C@H](CC(C)C)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	NA	""
"782650"	"782650"	""	"CC1(C)OC2[C@@H](CNC(=O)NC(=O)NC(=O)CI)O[C@H]([C@H]2O1)n3cnc4c(NC(=O)Nc5ccccc5)ncnc34"	0	NA	NA	1	1	NA	""
"782674"	"782674"	""	"CC(C)[C@@]12C[C@@H](OC(=O)C)[C@@](C)(O1)[C@@H]3CCC(=C3[C@@H]2OC(=O)\C=C\c4ccccc4)C"	0	NA	NA	1	1	NA	""
"782680"	"782680"	""	"C1CC2=Cc3ccccc3OC24Oc5ccccc5C=C4C1"	0	NA	NA	1	1	NA	""
"782694"	"782694"	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	1	1	NA	""
"782695"	"782695"	""	"NC(=N)c1ccc(s1)c2ccc(s2)c3ccc4ccccc4c3"	0	NA	NA	1	1	NA	""
"782696"	"782696"	""	"COc1ccc2cc(ccc2c1)c3ccc(s3)c4ccc(s4)C(=N)N"	0	NA	NA	1	1	NA	""
"782698"	"782698"	""	"COc1ccc(cc1)c2oc(cc2)c3oc(cc3)C(=N)N"	0	NA	NA	1	1	NA	""
"782709"	"782709"	""	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCc4cc3c2N"	0	NA	NA	2	2	NA	""
"782736"	"782736"	"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[3,2-c][1..."	"Nc1nc2c3cccnc3CC(c4cccc(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	NA	""
"782739"	"782739"	"11-(3,4,5-Trimethoxyphenyl)-5,6,11,12-tetrahydropyrido[3..."	"COc1cc(cc(OC)c1OC)C2Cc3ncccc3C4=C2c5ncccc5C(=O)N4"	0	NA	NA	2	2	NA	""
"782755"	"782755"	""	"CN1CCN(CC1)c2cc(C)nc(NCc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3F)n2"	0	NA	NA	1	1	NA	""
"782757"	"782757"	"7-chloro-N-(2-(4-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)pipe..."	"Clc1ccc2c(NCCN3CCN(CC3)c4ccnc(n4)N5CCCC5)ccnc2c1"	0	NA	NA	1	1	NA	""
"782762"	"782762"	"E-3810"	"CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12"	0	"PK:PDGFR,FGFR,VEGFR"	"Clinical trial"	2	2	NA	"1058137237"
"782763"	"782763"	"cs-1730"	"C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c3cc(ccc3N1C(=O)C)c4ccc(cc4)C(=O)O"	0	"BRD"	"Clinical trial"	2	2	NA	"1300031520"
"782769"	"782769"	"6-(3-(1H-imidazol-1-yl)propyl)-2,3-difluoro-5H-[1,3]diox..."	"Fc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1F"	0	NA	NA	1	1	NA	""
"782770"	"782770"	"(S)-6-(2,3-dihydroxypropyl)-2,3-difluoro-5H-[1,3]dioxolo..."	"OC[C@@H](O)CN1C(=O)c2cc(F)c(F)cc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"782771"	"782771"	"6-(3-(1H-imidazol-1-yl)propyl)-2,3-dichloro-5H-[1,3]diox..."	"Clc1cc2C(=O)N(CCCn3ccnc3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1Cl"	0	NA	NA	1	1	NA	""
"782772"	"782772"	"(S)-2,3-dichloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo..."	"OC[C@@H](O)CN1C(=O)c2cc(Cl)c(Cl)cc2C3=C1c4cc5OCOc5cc4C3=O"	0	NA	NA	1	1	NA	""
"782785"	"782785"	""	"CC\C=C/C[C@H](F)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782786"	"782786"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)NC)C=CC1=O"	0	NA	NA	1	1	NA	""
"782788"	"782788"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC(C)C)C=CC1=O"	0	NA	NA	1	1	NA	""
"782789"	"782789"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)N)C=CC1=O"	0	NA	NA	1	1	NA	""
"782844"	"782844"	"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[3,2-c][1,..."	"Nc1nc2c3cccnc3CC(c4cccc(Br)c4)c2c5ncccc15"	0	NA	NA	1	1	NA	""
"782845"	"782845"	"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[3,2-..."	"Nc1nc2c3cccnc3CC(c4ccc(Cl)c(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	NA	""
"782846"	"782846"	"(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol"	"OCc1oc(cc1)c2csc(c2)c3oc(CO)cc3"	0	NA	NA	2	2	NA	""
"782880"	"782880"	""	"CNc1nc(C)c(s1)c2nc(Nc3cccc(c3)S(=O)(=O)N)ncc2F"	0	NA	NA	3	1	NA	""
"782881"	"782881"	""	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1"	0	NA	NA	2	2	NA	""
"782882"	"782882"	""	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1"	0	NA	NA	2	2	NA	""
"782885"	"782885"	"2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-..."	"FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N4[C@H](\C=C\c5ccccc5)[C@H](N6[C@H](COC6=O)c7ccccc7)C4=O)c1"	0	NA	NA	1	1	NA	"512784202"
"782886"	"782886"	"[1,4'-Bipiperidine]-1'-butanamide, alpha-[(3S,4R)-3-meth..."	"C[C@@]1([C@@H](\C=C\c2ccccc2)N([C@H](CC(=O)N3CCC(CC3)N4CCCCC4)C(=O)NCc5cccc(c5)C(F)(F)F)C1=O)N6[C@H](COC6=O)c7ccccc7"	0	NA	NA	1	1	NA	"850355112"
"782890"	"782890"	""	"CCOC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccc(NC(=O)CCN5CCCCC5)cc14"	0	NA	NA	2	2	NA	""
"782892"	"782892"	""	"O=C(OCCN1CCCCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	NA	""
"782893"	"782893"	""	"O=C(OCCN1CCOCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	NA	""
"782896"	"782896"	"ATRN-119"	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)N(C)CCOCCOCCOc12"	0	NA	NA	1	1	NA	""
"782919"	"782919"	"N-[3-[[2-[4-[2-(difluoromethoxy)ethoxy]anilino]-5-fluoro..."	"FC(F)OCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1"	0	NA	NA	1	1	NA	""
"782920"	"782920"	"methysulfinylpentenl Isothiocyanate"	"CS(=O)CCCCCN=C=S"	0	NA	NA	1	1	NA	"646231"
"782942"	"782942"	""	"CCNCCNc1cc(C2CCCCC2)c(C#N)c3nc4ccccc4n13"	0	NA	NA	1	1	NA	""
"782947"	"782947"	""	"CCOC(=O)C#Cc1c(nnn1[C@@H]2O[C@H](CO)[C@H]3OC4(CCCCC4)O[C@@H]23)C(=O)OCC"	0	NA	NA	1	1	NA	""
"782948"	"782948"	""	"CCOC(=O)C#Cc1c(nnn1Cc2ccc(cc2)[N+](=O)[O-])C(=O)OCC"	0	NA	NA	1	1	NA	""
"782949"	"782949"	""	"CCOC(=O)C#Cc1c(nnn1Cc2ccc(cc2)C(F)(F)F)C(=O)OCC"	0	NA	NA	1	1	NA	""
"782950"	"782950"	""	"CCOC(=O)Cc1nnn([C@H]2O[C@@H](CO)[C@@H]3OC(C)(C)O[C@H]23)c1C#CC(=O)OCC"	0	NA	NA	1	1	NA	""
"782951"	"782951"	""	"CCOC(=O)C#Cc1c(nnn1[C@@H]2O[C@H](COC)[C@@H](OC)[C@H]2OC)C(=O)OCC"	0	NA	NA	1	1	NA	""
"782954"	"782954"	"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (1N)"	"CC1OC(CC(O)C1O)n2c3ccccc3c4c5C(=O)N(CCN6CCOCC6)C(=O)c5c7c8ccccc8[nH]c7c24"	0	NA	NA	1	1	NA	""
"782957"	"782957"	"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (2N)"	"CC12OC(CC(O)C1O)n3c4ccccc4c5c6C(=O)N(CCN7CCOCC7)C(=O)c6c8c9ccccc9n2c8c35"	0	NA	NA	1	1	NA	""
"782958"	"782958"	"N-[2-(pyrrolidin-1-yl)-ethyl]-L-olivosyl-AF (2N)"	"CC12OC(CC(O)C1O)n3c4ccccc4c5c6C(=O)N(CCN7CCCC7)C(=O)c6c8c9ccccc9n2c8c35"	0	NA	NA	1	1	NA	""
"782960"	"782960"	"N-[N',N'-(dimethylamino)ethyl]-L-olivosyl-AF (2N)"	"CN(C)CCN1C(=O)c2c(C1=O)c3c4ccccc4n5c3c6c2c7ccccc7n6C8CC(O)C(O)C5(C)O8"	0	NA	NA	1	1	NA	""
"782961"	"782961"	"N-[2-(((1R,2R)-2-aminocyclopentyl)amino)ethyl]-L-olivosy..."	"CC1OC(CC(O)C1O)n2c3ccccc3c4c5C(=O)N(CCN[C@@H]6CCC[C@H]6N)C(=O)c5c7c8ccccc8[nH]c7c24"	0	NA	NA	1	1	NA	""
"782965"	"782965"	"8-Quinolinol, 5,5'-methylenebis-"	"Oc1ccc(Cc2ccc(O)c3ncccc23)c4cccnc14"	0	NA	NA	1	1	NA	"2536712"
"782967"	"782967"	"8-Quinolinol, 5,5'-methylenebis-[7-([1,4'-bipiperidin]-1..."	"Oc1c(CN2CCC(CC2)N3CCCCC3)cc(Cc4cc(CN5CCC(CC5)N6CCCCC6)c(O)c7ncccc47)c8cccnc18"	0	NA	NA	1	1	NA	""
"782968"	"782968"	"8-Quinolinol, 5-[[1,4'-bipiperidin]-1'-ylmethyl]-"	"Oc1ccc(CN2CCC(CC2)N3CCCCC3)c4cccnc14"	0	NA	NA	1	1	NA	""
"783015"	"783015"	"CGM-097"	"COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c4ccc(cc4)N(C)C[C@@H]5CC[C@H](CC5)N6CCN(C)C(=O)C6"	0	"MDM2"	"Clinical trial"	2	2	NA	"1313363540"
"783072"	"783072"	""	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCNCC5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"783073"	"783073"	"7-Aza-5, 6-dihydro-6-(3-bromopropyl)-9-methoxy-3-nitro-5..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCBr)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"783074"	"783074"	"7-Aza-5,6-dihydro-6-[3-(4-pyrrolidine-1-yl)propyl]-9-met..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCCC5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"783075"	"783075"	"7-Aza-5,6-dihydro-6-[3-(3H-methylpiperazine-1-yl)propyl]..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCN(C)CC5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"783076"	"783076"	""	"CNCCCN1C(=O)c2cc(ccc2C3=C1c4ncc(OC)cc4C3=O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"783085"	"783085"	""	"CCCCCCCCCCCCCC(=O)C(C)N"	0	NA	NA	1	1	NA	""
"783086"	"783086"	""	"CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)[C@H](CC(Nc3ccc(cc3)S(=O)(=O)Nc4ccc(Cl)nn4)C5=CCOC5=O)C(=C)CC[C@H]12)OC(=O)C"	0	NA	NA	1	1	NA	""
"783090"	"783090"	"2-(4-chlorophenyl)-5,7-dihydroxy-4H-chromene-4-thione"	"Oc1cc(O)c2C(=S)C=C(Oc2c1)c3ccc(Cl)cc3"	0	NA	NA	2	2	NA	""
"783091"	"783091"	"2-(4-bromophenyl)-7,8-dihydroxy-4H-chromene-4-thione"	"Oc1ccc2C(=S)C=C(Oc2c1O)c3ccc(Br)cc3"	0	NA	NA	1	1	NA	""
"783093"	"783093"	""	"C\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCC3)cc2)\c4ccccc4"	0	NA	NA	1	1	NA	""
"783094"	"783094"	""	"CCCCCCCCCC(=O)Oc1ccc(cc1)\C(=C(\C)/c2ccccc2)\c3ccc(OCCN4CCCC4)cc3"	0	NA	NA	1	1	NA	""
"783098"	"783098"	"4-(2-benzyl-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)but-1..."	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCC3)cc2)\Cc4ccccc4"	0	NA	NA	1	1	NA	""
"783099"	"783099"	""	"CC[n+]1ccc2c(c1)C(=O)c3nccc4c5ccccc5nc2c34"	0	NA	NA	2	2	NA	""
"783100"	"783100"	""	"O=C1c2c[n+](Cc3ccccc3)ccc2c4nc5ccccc5c6ccnc1c46"	0	NA	NA	2	2	NA	""
"783102"	"783102"	"VS-4718"	"CNC(=O)c1ccccc1Nc2cc(Nc3ccc(cc3OC)N4CCOCC4)ncc2C(F)(F)F"	0	"PK:FAK"	"Clinical trial"	2	2	NA	"1061353681"
"783105"	"783105"	""	"COc1ccc(cc1OC)\C(=C\c2ccc3ccccc3c2)\c4nnn[nH]4"	0	NA	NA	1	1	NA	""
"783107"	"783107"	"E-7449"	"O=C1NNc2nc(CN3Cc4ccccc4C3)nc5cccc1c25"	0	"PARP1|PARP2"	"Clinical trial"	1	1	NA	"1140964993"
"783154"	"783154"	"7-bromo-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)-4..."	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)\C(=C/4\C(=O)Nc5ccc(Cl)cc45)\S3)c6ccc7ccccc7c6"	0	NA	NA	2	2	NA	""
"783155"	"783155"	"5-methoxy-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)..."	"COc1ccc(cc1)C2CC(=NN2C3=NC(=O)\C(=C/4\C(=O)Nc5ccc(OC)cc45)\S3)c6ccc7ccccc7c6"	0	NA	NA	2	2	NA	""
"783178"	"783178"	""	"O=C1CC(Nc2cc3OCOc3cc12)c4ccc5OCOc5c4"	0	NA	NA	1	1	NA	""
"783191"	"783191"	"N-(2-aminoethyl)-3-(3,5-di-tert-butylbenzamido)-2-naphth..."	"CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)Nc2cc3ccccc3cc2C(=O)NCCN"	0	NA	NA	1	1	NA	""
"783200"	"783200"	"Alternol"	"Oc1cccc2[C@H](CCC(=O)c12)c3ccc(O)c4C(=O)[C@H]5O[C@H]5C(=O)c34"	0	NA	NA	1	1	NA	""
"783206"	"783206"	""	"Cc1cn2c(\C=C/3\C(=O)Nc4c3ccc5ccccc45)c(nc2s1)C(F)(F)F"	0	NA	NA	1	1	NA	""
"783209"	"783209"	""	"CNC(=O)c1cc(Oc2cccc3nc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)ccc23)ccn1"	0	NA	NA	1	1	NA	""
"783219"	"783219"	"Coumarin Derivative of Gichigamin A"	"CCN(CC)c1ccc2C=C(NC(=O)OCCNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@](C)(CC)NC(=O)[C@H](C)NC(=O)CCNC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@@](C)(CC)NC(=O)[C@H](Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(C)(C)NC(=O)C6CCCN6C(=O)C(C)(C)NC(=O)C)C(=O)Oc2c1"	0	NA	NA	1	1	NA	""
"783223"	"783223"	"FC101a"	"CC1(C)CC(=O)c2c(N)c(ccc2O1)C(=O)C[C@@H](N)CO"	0	NA	NA	2	2	NA	""
"783224"	"783224"	"FC01e"	"CC1(C)CC(=O)c2c(N)c(ccc2O1)C(=O)C[C@H](N)CO"	0	NA	NA	2	2	NA	""
"783229"	"783229"	"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin..."	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCCCCC(=O)NO)c4c3"	0	NA	NA	3	2	NA	""
"783230"	"783230"	"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin-3-yl)quinolin-4-yl)hept-6-ynoic acid"	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(C#CCCCCC(=O)O)c4c3"	0	NA	NA	1	1	NA	""
"783233"	"783233"	""	"Clc1cccc(Cl)c1N2C(=O)\C(=C/c3cccn3Cc4ccccc4)\c5ccccc25"	0	NA	NA	2	2	NA	""
"783239"	"783239"	"2-(1H-indol-3-yl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-..."	"C[C@@]12CC\C=C(\CNC(=O)Cc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783241"	"783241"	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNC(=O)c3cc4ccccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783249"	"783249"	"JNJ-26483327"	"COc1cc2ncnc3Nc4cc(Br)ccc4CN(C)CCCCCOc1cc23"	0	"PK:EGFR,ERBB2,SRC,VEGFR,RET,Multikinase"	"Clinical trial"	1	1	NA	"807640875"
"783272"	"783272"	"JNJ-47117096"	"c1(ccc(c(c1)OC)C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1"	0	"PK:MELK"	"Clinical trial"	1	1	NA	""
"783294"	"783294"	"VT-464"	"CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c3c[nH]nn3"	0	"CYP17A1"	"Clinical trial"	1	1	NA	"1610537159"
"783296"	"783296"	"Poziotinib"	"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C"	0	"PK:EGFR,ERBB2,Multikinase"	"Clinical trial"	2	2	NA	"1092364389"
"783297"	"783297"	"3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8CC(OC)[C@@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	NA	""
"783298"	"783298"	"3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin"	"COC([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](O)[C@@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	NA	""
"783299"	"783299"	"4C-hydroxy-variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](OC)[C@H](O)C(C)O8)[C@@H](O)C(C)O7)C(O)(O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	NA	""
"783300"	"783300"	"5A-hydroxy-variamycin"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)(O)O4)cc(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@H](OC)[C@H](O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	1	1	NA	""
"783303"	"783303"	""	"COc1ccc(cc1O)c2nnc3N(C)C(=O)c4ccccc4n23"	0	NA	NA	2	2	NA	""
"783304"	"783304"	""	"COc1ccc(cc1N)c2nnc3N(C)C(=O)c4ccccc4n23"	0	NA	NA	1	1	NA	""
"783333"	"783333"	"SGI-1027"	"Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1"	0	"DNMT"	"Clinical trial"	1	1	NA	"1020149738"
"783356"	"783356"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(C[C@@H](O)[C@H]5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"783407"	"783407"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(CN(Cc3ccc(Cl)cc3)CC(=O)N[C@@H](C(C)C)C(=O)O1)n2"	0	NA	NA	1	1	NA	""
"783415"	"783415"	"CB-839"	"FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1"	0	"GLS"	"Clinical trial"	1	1	NA	"1439399582"
"783430"	"783430"	"(1aR,7aS,10aS,10bS,E)-5-((4-(4-fluorophenyl)-1H-1,2,3-tr..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccc(F)cc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783431"	"783431"	"(1aR,7aS,10aS,10bS,E)-5-((4-(4-methoxyphenyl)-1H-1,2,3-t..."	"COc1ccc(cc1)c2cn(C\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)nn2"	0	NA	NA	1	1	NA	""
"783432"	"783432"	"(1aR,7aS,10aS,10bS,E)-5-((4-(3-chlorophenyl)-1H-1,2,3-tr..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4cccc(Cl)c4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783510"	"783510"	"12,13-Diallyl-6-hydroxy-12,13-dihydro-5H-indolo[2,3-a]py..."	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CC=C)c3c5c2c6ccccc6n5CC=C"	0	NA	NA	1	1	NA	""
"783515"	"783515"	"N,N-Diethyl-6-(6-hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-1..."	"CCN(CC)C(=O)CCCCCn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6[nH]c5c13"	0	NA	NA	1	1	NA	""
"783516"	"783516"	"Methyl (5a,12b,19a)-15-acetoxy-16-methoxy-2,3,6,7-tetrad..."	"CC[C@@]12CC(=C3Nc4cc(OC)c(OC(=O)C)cc4[C@@]35CCN(CC=C1)[C@@H]25)C(=O)OC"	0	NA	NA	1	1	NA	""
"783523"	"783523"	""	"Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	NA	""
"783532"	"783532"	""	"CSc1ccc(cc1)N(C)c2nc(C)nc3CCCc23"	0	NA	NA	1	1	NA	""
"783538"	"783538"	"Silvestrol"	"CO[C@@H]1OC[C@@H](O[C@H]1Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c5ccccc5)c6ccc(OC)cc6)c2)[C@H](O)CO"	0	NA	NA	2	2	NA	""
"783549"	"783549"	"4-chloro-N-(2-(4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazo..."	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCNS(=O)(=O)c4ccc(Cl)cc4)c3)c5ccccc5"	0	NA	NA	1	1	NA	""
"783553"	"783553"	"3-fluoro-N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyraz..."	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4cccc(F)c4)c3)c5ccccc5"	0	NA	NA	1	1	NA	""
"783554"	"783554"	"N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p..."	"COc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3)c5ccccc5"	0	NA	NA	1	1	NA	""
"783604"	"783604"	"Azonafides"	"COc1ccc2C(=O)N(CCN(C)CCN)C(=O)c3c4ccccc4cc1c23"	0	NA	NA	1	1	NA	""
"783616"	"783616"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(c(c3)C#Cc4cnc5cccnn45)C(C)(C)C)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"783617"	"783617"	""	"CN1[C@@H](CSSC[C@@H](NC(=O)c2nc3ccccc3cc2O)C(=O)NCC1=O)C(=O)NCCc4nc5ccccc5cc4O"	0	NA	NA	2	2	NA	""
"783624"	"783624"	""	"COc1ccc(cc1OC)c2oc(COc3ccc(Cl)cc3Cl)nn2"	0	NA	NA	1	1	NA	""
"783628"	"783628"	""	"NC1=C(C#N)C(c2ccc(cc2)[N+](=O)[O-])c3sc4c(Br)cccc4c3O1"	0	NA	NA	2	2	NA	""
"783630"	"783630"	""	"NC1=C(C#N)C(c2ccc(Br)cc2)c3sc4c(Br)cccc4c3O1"	0	NA	NA	1	1	NA	""
"783634"	"783634"	""	"CC\C=C/C[C@@H](O)C\C=C\1/[C@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"783635"	"783635"	""	"CC\C=C/C[C@@H]1C\C=C\2/[C@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	1	1	NA	""
"783636"	"783636"	""	"O[C@@H](CCc1cccc(c1)C(F)(F)F)C\C=C\2/[C@@H](C\C=C/CCCC(=O)O)C=CC2=O"	0	NA	NA	1	1	NA	""
"783638"	"783638"	""	"FC(F)(F)c1cccc(CC[C@H]2C\C=C\3/[C@@H](C\C=C/CCCC(=O)O2)C=CC3=O)c1"	0	NA	NA	1	1	NA	""
"783640"	"783640"	""	"COC1=C(C)C(=O)c2c(C1=O)c(CCCl)c3C(O)CCn23"	0	NA	NA	2	2	NA	""
"783641"	"783641"	""	"COC1=C(C)C(=O)c2c(C1=O)c(CCCl)c3C(CCn23)OC(=O)C"	0	NA	NA	2	2	NA	""
"783651"	"783651"	"8-methoxy-6,11-dimethyl-4-(2-methyl-1H-benzo[d]imidazol-..."	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4c(C)nc5ccccc45"	0	NA	NA	1	1	NA	""
"783681"	"783681"	"1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-phenylthiazol-2-yl..."	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C(=O)Nc5nc(cs5)c6ccccc6)c(F)cc3C1=O"	0	NA	NA	1	1	NA	""
"783685"	"783685"	""	"COC(=O)[C@H](C)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	NA	""
"783686"	"783686"	""	"COC(=O)C(Cc1ccccc1)NC(=O)NC(=O)NC(=O)CI"	0	NA	NA	1	1	NA	""
"783696"	"783696"	""	"COc1ccc(\C=C\2/C=C(N(CCc3ccccc3)C2=O)c4ccccc4)cc1OC"	0	NA	NA	1	1	NA	""
"783699"	"783699"	""	"CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(NC[C@@H]4CCCO4)n3)cc2"	0	NA	NA	1	1	NA	""
"783700"	"783700"	""	"CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)n3)cc2"	0	NA	NA	2	2	NA	""
"783733"	"783733"	"K291"	"CCOc1ccc2nc(nc(Nc3ccc(cc3)c4cn[nH]c4)c2c1)c5cccc(OCC(=O)NC(C)C)c5"	0	NA	NA	2	2	NA	""
"783765"	"783765"	"3-(2-fluorophenyl)-N7,N7-dimethylquinoline-2,7-diamine"	"CN(C)c1ccc2cc(c(N)nc2c1)c3ccccc3F"	0	NA	NA	1	1	NA	"1630743735"
"783774"	"783774"	""	"CCNCCNc1cc(c2ccc(cc2)C(=O)OC)c(C#N)c3nc4ccccc4n13"	0	NA	NA	1	1	NA	""
"783799"	"783799"	""	"CN1CCN(CCCOC(=O)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25)CC1"	0	NA	NA	2	2	NA	""
"783800"	"783800"	""	"O=C(OCCCN1CCOCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	NA	""
"783801"	"783801"	""	"O=C(OCCCN1CCCCC1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	NA	""
"783804"	"783804"	""	"CN1CCN(CCCNC(=O)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25)CC1"	0	NA	NA	2	2	NA	""
"783805"	"783805"	""	"O=C(OCCc1ccccn1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	2	2	NA	""
"783806"	"783806"	""	"O=C(NCCn1ccnc1)c2c3C(=O)c4cccnc4C(=O)c3n5ccccc25"	0	NA	NA	1	1	NA	""
"783807"	"783807"	""	"CCN(CC)CCCNC(=O)c1c2C(=O)c3cccnc3C(=O)c2n4ccccc14"	0	NA	NA	1	1	NA	""
"783833"	"783833"	""	"COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)\[C@@H](O)CCc2c1"	0	NA	NA	2	2	NA	""
"783834"	"783834"	""	"COc1ccc2c(CCc3n[nH]c(c4cc(OC)c(OC)c(OC)c4)c23)c1"	0	NA	NA	1	1	NA	""
"783835"	"783835"	""	"COc1ccc(\C=C/2\[C@@H](O)CCc3c(OC)c(OC)c(OC)cc23)cc1F"	0	NA	NA	1	1	NA	""
"783840"	"783840"	"dimethyl 2-oxoglutarate"	"COC(=O)CCC(=O)C(=O)OC"	0	NA	NA	1	1	NA	"13192046"
"783854"	"783854"	"3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl..."	"COCCn1cc(c2csc(n2)c3c[nH]c4ccccc34)c5cccnc15"	0	NA	NA	1	1	NA	""
"783857"	"783857"	"3-{2-[5-methoxy-1-(2-methoxyethyl)-1H-indol-3-yl]-1,3-th..."	"COCCn1cc(c2nc(cs2)c3cc4cccnc4[nH]3)c5cc(OC)ccc15"	0	NA	NA	2	2	NA	""
"783865"	"783865"	"3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-met..."	"COCCn1cc(c2csc(n2)c3c[nH]c4ccc(F)cc34)c5cccnc15"	0	NA	NA	1	1	NA	""
"783893"	"783893"	""	"COc1ccc(CCN(CC(=O)N(CC(=O)N)C2CCC[C@@H]2OCc3ccccc3)C(=O)CN([C@H](C)C4CCCCC4)C(=O)CN(CCc5ccc(Cl)cc5)C(=O)CN([C@H](C)C6CCCCC6)C(=O)CN(C)Cc7ccccc7F)cc1OC"	0	NA	NA	1	1	NA	""
"783894"	"783894"	""	"COc1ccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)cc1"	0	NA	NA	1	1	NA	""
"783903"	"783903"	""	"CC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"783904"	"783904"	""	"COc1ccc(Nc2ncnc3ccc(cc23)c4cncc(NS(=O)(=O)C)c4)cc1Cl"	0	NA	NA	1	1	NA	""
"783905"	"783905"	""	"CS(=O)(=O)Nc1cncc(c1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"783906"	"783906"	""	"CS(=O)(=O)Nc1cncc(c1)c2ccc3ncnc(Nc4cccc(c4)C#C)c3c2"	0	NA	NA	1	1	NA	""
"783908"	"783908"	""	"Nc1ncc(cn1)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	2	1	NA	""
"783912"	"783912"	"(1aR,7aS,10aS,10bS,E)-5-((4-(3,5-bis(trifluoromethyl)phe..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783913"	"783913"	"5-fluoro-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene..."	"C[C@@]12CC\C=C(\CNC(=O)c3c[nH]c4ccc(F)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783914"	"783914"	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNS(=O)(=O)c3ccc4ccccc4c3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"783915"	"783915"	"(E)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox..."	"COc1cc(\C=C\C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"783916"	"783916"	"pyridoclax"	"Cc1cc(cnc1c2cccnc2)c3ncc(cc3\C=C\c4ccccc4)c5cccnc5"	0	"MCL1"	"Clinical trial"	2	1	NA	"1651890446"
"783919"	"783919"	"1-methoxy-3-[(E)-2-nitrovinyl]benzene"	"COc1cccc(\C=C\[N+](=O)[O-])c1"	0	NA	NA	1	1	NA	""
"783921"	"783921"	""	"COc1cccc(NCc2nnc(Nc3ccc(Cl)cc3)c4ccccc24)c1"	0	NA	NA	1	1	NA	""
"784013"	"784013"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"784014"	"784014"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"784015"	"784015"	""	"CC[C@H](C)[C@H](NC(=O)C12CC(C1)(C2)NC)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c3nc(cs3)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc4ccccc4)C(C)C"	0	NA	NA	2	2	NA	""
"784016"	"784016"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)NC34C5C6C3C7C4C5C67C(=O)OC)C(C)C"	0	NA	NA	2	2	NA	""
"784017"	"784017"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)NC34CC(C3)(C4)C(=O)OC)C(C)C"	0	NA	NA	2	2	NA	""
"784021"	"784021"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)CN(C)C)C3CC3)OC(=O)C"	0	NA	NA	2	2	NA	""
"784022"	"784022"	""	"CNC12C3C4C1C5C2C3C45C(=O)N[C@@H](C6CC6)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c7nc(cs7)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc8ccccc8)C(C)C"	0	NA	NA	2	2	NA	""
"784076"	"784076"	"N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N3-(7-chloroquinolin..."	"Cc1cc(nc(n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4ccc5OCOc5c4)N6CCOCC6"	0	NA	NA	1	1	NA	""
"784085"	"784085"	"1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-(p-tolyl)thiazol-2..."	"Cc1ccc(cc1)c2csc(NC(=O)N3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)n2"	0	NA	NA	1	1	NA	""
"784141"	"784141"	""	"CCN1CCN(CC1)c2cc(C)nc(NCc3cc(Nc4ccnc5cc(Cl)ccc45)ccc3F)n2"	0	NA	NA	1	1	NA	""
"784145"	"784145"	""	"Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(Nc4ccc(cc4)C(=O)N5CCCCC5)n1"	0	NA	NA	1	1	NA	""
"784146"	"784146"	""	"Cc1cc(NCCCCNc2ccnc3cc(Cl)ccc23)nc(Nc4ccc(cc4)C(=O)N5CCCC5)n1"	0	NA	NA	1	1	NA	""
"784147"	"784147"	""	"Clc1ccc2c(NCCCCNc3ccnc(Nc4ccc(cc4)C(=O)N5CCCCC5)n3)ccnc2c1"	0	NA	NA	1	1	NA	""
"784174"	"784174"	""	"Brc1ccc(\C=C\2/C=C(N(CCc3ccccc3)C2=O)c4ccccc4)cc1"	0	NA	NA	1	1	NA	""
"784186"	"784186"	""	"CCCCOc1nc2ccccc2cc1C3CNC(=O)c4ccccc4N3"	0	NA	NA	2	1	NA	""
"784215"	"784215"	""	"CN(C)CC1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)c4cc5ccccc5[nH]4"	0	NA	NA	2	2	NA	""
"784216"	"784216"	"(E)-3-(2,4-dichlorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-..."	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccc(Cl)cc3Cl)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"784222"	"784222"	""	"O[C@@H]1CC[C@@H](CC1)Oc2cccc3cnc(Nc4ccc5nc[nH]c5c4)nc23"	0	NA	NA	1	1	NA	""
"784230"	"784230"	""	"Cc1nc2CCCc2c(n1)N3CCCc4ccccc34"	0	NA	NA	1	1	NA	""
"784252"	"784252"	""	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]4C[C@@H]5CN(C)C[C@@H]5C4"	0	NA	NA	2	2	NA	""
"784260"	"784260"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(CC(=O)[C@H]5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"784263"	"784263"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@H]4[C@@](C)(CC=C5[C@](C)(COC(=O)c6occc6)C=C(C=O)[C@]45C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"784289"	"784289"	""	"COc1ccc(cc1)C2=NC3=C(C(c4ccc(Cl)cc4)c5sc6c(Cl)cccc6c5O3)C(=O)N2C(=O)C"	0	NA	NA	1	1	NA	""
"784310"	"784310"	""	"Cc1ccc(cc1)S(=O)(=O)N2CC3=C(c4ccccc4)c5ccccc5C3=C(C2)S(=O)(=O)c6ccc(C)cc6"	0	NA	NA	1	1	NA	""
"784318"	"784318"	""	"CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n3"	0	NA	NA	2	2	NA	""
"784319"	"784319"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)N1"	0	NA	NA	2	2	NA	""
"784320"	"784320"	""	"CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c3"	0	NA	NA	2	2	NA	""
"784348"	"784348"	""	"Nc1ncnc2c1c(nn2C[C@@H]3SSC[C@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"784349"	"784349"	""	"Nc1ncnc2c1c(nn2C[C@H]3SSC[C@@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"784350"	"784350"	""	"Nc1ncnc2c1c(nn2C[C@@H]3SSC[C@@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"784351"	"784351"	""	"Nc1ncnc2c1c(nn2C[C@H]3SSC[C@H]3O)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"784390"	"784390"	"UK-5099"	"OC(=O)\C(=C\c1cn(c2ccccc2)c3ccccc13)\C#N"	0	NA	NA	1	1	NA	"56396351"
"784400"	"784400"	""	"CCCC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	NA	""
"784403"	"784403"	""	"Nc1ncc(cn1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"784404"	"784404"	""	"Fc1ccc(Nc2ncnc3ccc(cc23)c4cnc5[nH]ccc5c4)cc1Cl"	0	NA	NA	2	2	NA	""
"784405"	"784405"	""	"CS(=O)(=O)Nc1cccc(c1)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"784409"	"784409"	""	"CS(=O)(=O)Nc1cccc(c1)c2ccc3ncnc(Nc4cncc(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"784415"	"784415"	"Danusertib"	"CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5"	0	"BCR-ABL|PK:YK,AURK,FGFR,RET"	"Clinical trial"	2	2	NA	"827318978"
"784527"	"784527"	""	"CC[C@H](C)[C@H](NC(=O)c1ccccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"784528"	"784528"	""	"CC[C@H](C)[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"784529"	"784529"	""	"CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"784530"	"784530"	""	"CC[C@H](C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc2ccccc2)C(C)C"	0	NA	NA	2	2	NA	""
"784531"	"784531"	""	"CC[C@H](C)[C@H](NC(=O)C12CC(C1)(C2)NC(=O)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c3nc(cs3)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc4ccccc4)C(C)C"	0	NA	NA	2	2	NA	""
"784532"	"784532"	""	"CC[C@H](C)[C@H](NC(=O)C12C3C4C1C5C2C3C45NC(=O)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c6nc(cs6)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc7ccccc7)C(C)C"	0	NA	NA	2	2	NA	""
"784533"	"784533"	""	"CC[C@H](C)[C@H](NC(=O)C12C3C4C1C5C2C3C45NC)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c6nc(cs6)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc7ccccc7)C(C)C"	0	NA	NA	2	2	NA	""
"784574"	"784574"	""	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNC5=NCCS5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"784575"	"784575"	""	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNCCN5CCOCC5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"784576"	"784576"	""	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCNC(C)C)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"784577"	"784577"	""	"CCNCCCN1C(=O)c2cc(ccc2C3=C1c4ncc(OC)cc4C3=O)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"784584"	"784584"	"POMHEX"	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O"	0	NA	NA	1	1	NA	""
"784590"	"784590"	"Altiratinib"	"Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3cc(F)c(Oc4ccnc(NC(=O)C5CC5)c4)cc3F)cc1"	0	"PK:MET,NTRK,VEGFR,TEK,KDR"	"Clinical trial"	2	2	NA	"1345847939"
"784591"	"784591"	"CCT-251545"	"Cn1cc(cn1)c2ccc(cc2)c3cncc(Cl)c3N4CCC5(CCNC5=O)CC4"	0	"Wnt|PK:CDK19"	"Clinical trial"	1	1	NA	""
"784601"	"784601"	"6-Amino-11-(3,4,5-trimethoxyphenyl)-[3,2-c][1,7]phenanth..."	"COc1cc(cc(OC)c1OC)c2cc3ncccc3c4NC(=O)c5cccnc5c24"	0	NA	NA	1	1	NA	""
"784602"	"784602"	"6-Amino-11-(3,4,5-trimethoxyphenyl)-[3,2-c][1,7]phenanth..."	"COc1cc(cc(OC)c1OC)c2cc3ncccc3c4nc(N)c5cccnc5c24"	0	NA	NA	1	1	NA	""
"784604"	"784604"	"11-(3-chlorophenylphenyl)-[4,3-c][1,8]phenanthroline-6-one"	"Clc1cccc(c1)c2cc3cnccc3c4NC(=O)c5ccncc5c24"	0	NA	NA	1	1	NA	""
"784694"	"784694"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ncccc13"	0	NA	NA	2	2	NA	""
"784697"	"784697"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ccccc13"	0	NA	NA	2	2	NA	""
"784698"	"784698"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)cc(OC)c2)n3ncccc13"	0	NA	NA	1	1	NA	""
"784700"	"784700"	""	"Cc1cccc2c1NC(=O)C2(c3ccc(O)cc3)c4ccc(O)cc4"	0	NA	NA	2	2	NA	""
"784722"	"784722"	"aldoxorubicin"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)\C(=N\NC(=O)CCCCCN6C(=O)C=CC6=O)\CO"	0	"TOP2"	"Clinical trial"	2	2	NA	"1361644269"
"784743"	"784743"	"6-(3-(Dimethylamino)propyl)-3-(piperazin-1-yl)-5H-indeno..."	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)N5CCNCC5"	0	NA	NA	1	1	NA	""
"784812"	"784812"	""	"CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)C(C)C"	0	NA	NA	2	2	NA	""
"784814"	"784814"	""	"CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c1nc(cs1)C(=O)NC23CC(C2)(C3)C(=O)OC)C(C)C"	0	NA	NA	2	2	NA	""
"784815"	"784815"	"AZD-3147"	"C[C@H]1COCCN1c2cc(nc(n2)c3ccc(NC(=S)NCCO)cc3)C4(CC4)S(=O)(=O)C5CC5"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1101810029"
"784817"	"784817"	"A-1210477"	"CN(C)S(=O)(=O)N1CCN(CC1)c2ccc(OCc3c(c(C)nn3C)c4cccc5c(CCCOc6cccc7ccccc67)c(C(=O)O)n(CCN8CCOCC8)c45)cc2"	0	"MCL1"	"Clinical trial"	1	1	NA	""
"784818"	"784818"	""	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"784856"	"784856"	"CPI-0610"	"Cc1noc2[C@H](CC(=O)N)N=C(c3ccc(Cl)cc3)c4ccccc4c12"	0	"BRD"	"Clinical trial"	2	2	NA	"1380087897"
"784874"	"784874"	""	"OC[C@H]1O[C@@H](O[C@@H](CCc2ccc(O)cc2)CC(=O)CCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O"	0	NA	NA	1	1	NA	""
"784928"	"784928"	""	"COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5[nH]ccc45"	0	NA	NA	1	1	NA	""
"784929"	"784929"	""	"COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4ccc5cc[nH]c5c4"	0	NA	NA	1	1	NA	""
"784961"	"784961"	""	"CCOC(=O)c1c(C)nc2N(Cc3ccc(OC)cc3)C(=O)Cc2c1N"	0	NA	NA	1	1	NA	""
"784983"	"784983"	""	"COc1ccc(CN2c3ccccc3Sc4ccccc24)cc1F"	0	NA	NA	2	2	NA	""
"785004"	"785004"	"MLN-7243"	"NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[C@H](O)[C@@H]1O"	0	"UB-activating"	"Clinical trial"	2	2	NA	"1450833552"
"785025"	"785025"	""	"Cc1cc2c(NC(=O)C#C)cccc2n1c3nc4CCCCc4c(NCc5ccccc5)n3"	0	NA	NA	2	2	NA	""
"785026"	"785026"	""	"O=C(Nc1cccc(Nc2nc3CCCCc3c(NCc4ccccc4)n2)c1)C#C"	0	NA	NA	2	2	NA	""
"785117"	"785117"	"PQR-309"	"Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1225037397"
"785119"	"785119"	"Kiteplatin"	"[Cl-][Pt+2]1([Cl-])NC2CCC(CC2)N1"	0	NA	NA	2	2	NA	""
"785142"	"785142"	"Elatol"	"CC1=C(Cl)C[C@]2(CC1)C(=C)C[C@H](O)[C@H](Br)C2(C)C"	0	NA	NA	1	1	NA	""
"785224"	"785224"	"5-methoxy-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylen..."	"COc1ccc2[nH]c(cc2c1)C(=O)NC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	NA	""
"785225"	"785225"	"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2,4,5..."	"Cc1cc(C)c(cc1C)c2cn(C\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)nn2"	0	NA	NA	1	1	NA	""
"785285"	"785285"	"13-(3',3'-diphenylpropyl) berberine chloride"	"COc1ccc2c(CCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	2	2	NA	""
"785286"	"785286"	"13-(4',4'-diphenylbutyl) berberine chloride"	"COc1ccc2c(CCCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	1	1	NA	""
"785287"	"785287"	"13-[3'-(2\",4\"- dichlorophenyl)propyl] berberine chloride"	"COc1ccc2c(CCCc3ccc(Cl)cc3Cl)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC"	0	NA	NA	1	1	NA	""
"785288"	"785288"	"13-(5',5'-diphenylpentyl) berberine chloride"	"COc1ccc2c(CCCCC(c3ccccc3)c4ccccc4)c5c6cc7OCOc7cc6CC[n+]5cc2c1OC"	0	NA	NA	1	1	NA	""
"785294"	"785294"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cc(ccn2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	NA	""
"785295"	"785295"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	NA	""
"785296"	"785296"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2cccc(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)N1"	0	NA	NA	1	1	NA	""
"785297"	"785297"	""	"CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2occ(n2)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1"	0	NA	NA	2	2	NA	""
"785299"	"785299"	"EPZ-015666"	"O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN3CCc4ccccc4C3"	0	"PRMT5"	"Clinical trial"	1	1	NA	"1616391651"
"785304"	"785304"	"5,3'-dihydroxy-6,7,8,4'-tetramethoxyflavanone"	"COc1ccc(cc1O)C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2"	0	NA	NA	2	2	NA	""
"785305"	"785305"	"5-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-6,7,8-trimethox..."	"COc1ccc(C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)c(O)c1"	0	NA	NA	1	1	NA	""
"785306"	"785306"	"TAS-115"	"CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OC"	0	"PK:MET,VEGFR"	"Clinical trial"	2	2	NA	"1190836340"
"785307"	"785307"	"TAS-115 hydrochloride"	"c1(c(cc2c(c1)nccc2Oc1c(cc(cc1)NC(=S)NC(=O)Cc1ccccc1)F)C(=O)NC)OC.Cl"	0	NA	NA	2	2	NA	""
"785323"	"785323"	"2-Ferrocenyl-1-(4-hydroxyphenyl)-1-(4-dimethylaminopropo..."	"C(=C(\CCCO)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(\c1ccc(cc1)O)c1ccc(cc1)OCCCN(C)C"	0	NA	NA	1	1	NA	""
"785345"	"785345"	"Bet-BAY-002"	"Cc1oc(C[C@@H]2C=C(c3ccc(Cl)cc3)c4ccccc4n5c(C)nnc25)nn1"	0	"BRD"	"Clinical trial"	2	2	NA	"1588521781"
"785346"	"785346"	"MI-503"	"Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5c1cc(C#N)n5Cc6cn[nH]c6"	0	NA	NA	2	2	NA	""
"785352"	"785352"	"Koningic Acid"	"CC(C)[C@@H]1CC[C@]2(CO2)[C@H]3[C@H]1C=C(COC3=O)C(=O)O"	0	NA	NA	2	2	NA	"57710573"
"785364"	"785364"	""	"Nc1c(sc2nc(ccc12)c3cccs3)C(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"785367"	"785367"	""	"COc1ccc(cc1N)c2c[nH]nc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"785386"	"785386"	""	"COc1ccc(cc1)c2nocc2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"785389"	"785389"	""	"CC1(C)[C@H](O)[C@H](F)C[C@@]2(C)Oc3ccc(cc3C[C@H]12)C(=O)Nc4ccc5c(NC(=O)C56CCN(CCCCC#N)CC6)c4"	0	NA	NA	2	2	NA	""
"785401"	"785401"	""	"N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC3CCN(Cc4c[nH]c5ccc(Cl)cc45)CC3"	0	NA	NA	1	1	NA	""
"785453"	"785453"	""	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2c[nH]c3ccccc23"	0	NA	NA	2	2	NA	""
"785454"	"785454"	""	"COc1cc(cc(OC)c1OCC#C)C(=O)\C(=C\c2cccc(c2)N=[N+]=[N-])\C"	0	NA	NA	1	1	NA	""
"785455"	"785455"	""	"COc1cc(cc(OC)c1OC)C(=O)\C(=C\c2c[nH]c3ccccc23)\C"	0	NA	NA	2	2	NA	""
"785507"	"785507"	"4-((2-(4-aminophenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)..."	"CNC(=O)c1cc(Oc2ccc3c(c2)sc4nc(cn34)c5ccc(N)cc5)ccn1"	0	NA	NA	2	2	NA	""
"785510"	"785510"	"1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-chlorophe..."	"FC(F)(F)c1cc(NC(=O)Nc2scc(c3ccc(Cl)cc3)c2C#N)ccc1Cl"	0	NA	NA	1	1	NA	""
"785527"	"785527"	"(9E,10E)-2,7-bis(((3S,5R)-3,5-dimethylpiperidin-1-yl)sul..."	"C[C@@H]1C[C@H](C)CN(C1)S(=O)(=O)c2ccc3C(=NO)c4ccc(cc4C(=NO)c3c2)S(=O)(=O)N5C[C@H](C)C[C@H](C)C5"	0	NA	NA	1	1	NA	""
"785541"	"785541"	""	"COc1ccc(\C=C\C(=O)C(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC"	0	NA	NA	1	1	NA	""
"785543"	"785543"	""	"COc1ccc(\C=C\c2oc(\C=C\c3ccc(OC)c(OC)c3)nn2)cc1OC"	0	NA	NA	1	1	NA	""
"785570"	"785570"	"LOXO-101"	"O[C@H]1CCN(C1)C(=O)Nc2cnn3ccc(nc23)N4CCC[C@@H]4c5cc(F)ccc5F"	0	"PK:NTRK"	"FDA approved"	1	1	NA	"1223403584"
"785589"	"785589"	"4-(4-{[4-(2-aminocyclopropyl)phenyl]amino}-4-oxobutyl)-N..."	"NC1CC1c2ccc(NC(=O)CCCc3ccc(cc3)C(=O)Nc4ccccc4N)cc2"	0	NA	NA	1	1	NA	""
"785590"	"785590"	"4-(4-{[4-(2-aminocyclopropyl)phenyl]amino}-4-oxobutyl)-N..."	"NC1CC1c2ccc(NC(=O)CCCc3ccc(cc3)C(=O)Nc4cc(ccc4N)c5cccs5)cc2"	0	NA	NA	1	1	NA	""
"785594"	"785594"	"PT-112;Pyrodach-2"	"OP1(=O)OP(=O)(O)[O-][Pt+2]2(N[C@@H]3CCCC[C@H]3N2)[O-]1"	0	NA	NA	2	2	NA	""
"785615"	"785615"	""	"Nc1nc(cc(c2ccc(Cl)cc2)c1C#N)c3cc(O)ccc3O"	0	NA	NA	2	2	NA	""
"785623"	"785623"	"5,6-Dihydro-6-(piperidin-4-yl)-2,3-dimethoxy-8,9-methyle..."	"COc1cc2C(=O)N(C3CCNCC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	NA	""
"785628"	"785628"	"(R)-5,6-dihydro-6-(tetrahydrofuran-3-yl)-2,3-dimethoxy-8..."	"COc1cc2C(=O)N([C@@H]3CCOC3)C4=C(C(=O)c5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	NA	""
"785657"	"785657"	"RX-3117"	"NC1=NC(=O)N(C=C1)[C@H]2[C@H](O)[C@H](O)C(=C2F)CO"	0	"DNMT"	"Clinical trial"	1	1	NA	"865838262"
"785682"	"785682"	"4-[6-(6-Hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-12H-indolo..."	"ON1C(=O)c2c(C1=O)c3c4ccccc4n(CCCCCCN5CCOCC5)c3c6[nH]c7ccccc7c26"	0	NA	NA	2	2	NA	""
"785685"	"785685"	"2-Isopropyl-5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-iu..."	"CC(C)[n+]1ccc2c(C)c3c4ccccc4[nH]c3c(C)c2c1"	0	NA	NA	1	1	NA	""
"785690"	"785690"	"6-Ethyl-9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carba..."	"CCn1c2ccc(O)cc2c3c(C)c4c[n+](C)ccc4c(C)c13"	0	NA	NA	1	1	NA	""
"785901"	"785901"	"AOH1160"	"O=C(CNC(=O)c1cccc2ccccc12)Nc3ccccc3Oc4ccccc4"	0	NA	NA	1	1	NA	""
"785965"	"785965"	"(E)-N-[4-(3-chloro-2,4-difluoro-anilino)-7-[2-(difluorom..."	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCCOC(F)F"	0	NA	NA	2	2	NA	""
"785966"	"785966"	"(E)-N-[4-(3-chloro-2-fluoro-anilino)-7-[2-(difluorometho..."	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCCOC(F)F"	0	NA	NA	2	2	NA	""
"785967"	"785967"	"(E)-N-[4-(3-chloro-2,4-difluoro-anilino)-7-[2-(difluorom..."	"FC(F)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	NA	NA	2	2	NA	""
"786033"	"786033"	"Azimilide dihydrochloride;A-9054"	"N1(CCN(CC1)C)CCCCN1C(=O)N(CC1=O)N=Cc1ccc(o1)c1ccc(cc1)Cl.Cl.Cl"	0	NA	NA	1	1	NA	"149888948"
"786054"	"786054"	""	"CC\C=C/C[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=C(Cl)C1=O"	0	NA	NA	1	1	NA	""
"786055"	"786055"	""	"CC\C=C/C[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C2=O"	0	NA	NA	1	1	NA	""
"786057"	"786057"	""	"CCC#CC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=CC2=O"	0	NA	NA	1	1	NA	""
"786078"	"786078"	"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(thiop..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccsc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"786079"	"786079"	"(1aR,7aS,10aS,10bS,E)-5-((4-(4-aminophenyl)-1H-1,2,3-tri..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccc(N)cc4)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"786080"	"786080"	"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2-(tr..."	"C[C@@]12CC\C=C(\Cn3cc(nn3)c4ccccc4C(F)(F)F)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"786094"	"786094"	"2-Methyl-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin-4(1H)-..."	"COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4ccccc34"	0	NA	NA	2	2	NA	"1415262075"
"786095"	"786095"	"2-Cyclopropylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxa..."	"COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5ccccc35"	0	NA	NA	2	2	NA	""
"786096"	"786096"	"2-Ethylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin - ..."	"CCNc1nc(N2CC(=O)Nc3cc(OC)ccc23)c4ccccc4n1"	0	NA	NA	2	2	NA	""
"786098"	"786098"	"BAY-1143572"	"COc1cc(F)ccc1c2ncnc(Nc3cccc(CS(=N)(=O)C)c3)n2"	0	"PK:CDK,CDK9"	"Clinical trial"	1	1	NA	"1414943886"
"786099"	"786099"	"AZD-8835"	"CCn1nc(nc1c2cnc(N)c(n2)c3oc(nn3)C(C)(C)C)C4CCN(CC4)C(=O)CCO"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1620576648"
"786106"	"786106"	""	"COc1ccc(\C(=N/O)\c2cc(OC)c(OC)c(OC)c2)c(OC)c1N"	0	NA	NA	1	1	NA	""
"786110"	"786110"	""	"COc1ccc(cc1O)\C(=N\O)\c2cc(F)c(F)c(OC)c2F"	0	NA	NA	1	1	NA	""
"786111"	"786111"	""	"COc1ccc(\C(=N\O)\c2cc(OC)c(OC)c(OC)c2)c(OC)c1N"	0	NA	NA	1	1	NA	""
"786113"	"786113"	""	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5cc(C)ccn15"	0	NA	NA	1	1	NA	""
"786114"	"786114"	"4-(1H-benzo[d]imidazol-1-yl)-6,8,11-trimethyl-6,11-dihyd..."	"CC1Cc2c(ncnc2n3cnc4ccccc34)N(C)c5ccc(C)cc15"	0	NA	NA	1	1	NA	""
"786138"	"786138"	"8-chloro-N,N,6,11-tetramethyl-6,11-dihydro-5H-benzo[b]py..."	"CC1Cc2c(ncnc2N(C)c3ccc(Cl)cc13)N(C)C"	0	NA	NA	1	1	NA	""
"786144"	"786144"	"6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6,11..."	"CC1Cc2c(ncnc2n3cnc4cc(C)ccc34)N(C)c5ccccc15"	0	NA	NA	1	1	NA	""
"786147"	"786147"	"Agelastatin A"	"CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12O"	0	NA	NA	2	2	NA	""
"786148"	"786148"	""	"CCN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Cl)n4[C@@H]3C[C@@]12O"	0	NA	NA	1	1	NA	""
"786959"	"786959"	"AZD-9496"	"C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c4c(F)cc(\C=C\C(=O)O)cc4F"	0	"SERD"	"Clinical trial"	2	2	NA	"1639042082"
"787025"	"787025"	"BAY-1161909"	"COc1cc(ccc1Nc2nc3ccc(cn3n2)c4ccc(NC(=O)[C@H](C)c5ccc(F)cc5)cc4)S(=O)(=O)C"	0	"IDUA"	"Clinical trial"	2	2	NA	"1443763607"
"787026"	"787026"	"BAY-1217389"	"COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F"	0	"IDUA"	"Clinical trial"	2	2	NA	"1554458535"
"787027"	"787027"	"EGF-816"	"CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n2c(NC(=O)c3ccnc(C)c3)nc4cccc(Cl)c24"	0	"PK:EGFR"	"Clinical trial"	2	2	NA	"1508250712"
"787039"	"787039"	"MI-503"	"Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5c1cc(C#N)n5Cc6cn[nH]c6"	0	"KMT2A"	"Clinical trial"	2	2	NA	""
"787046"	"787046"	""	"C[C@@H](CCO)[C-]12C3=C4C5=[C]1(CCN6C=C(C)C(=O)NC6=O)[Fe+2]2345789%10[C-]%11C7=C8C9=C%10%11"	0	NA	NA	1	1	NA	""
"787047"	"787047"	"AZD-3965"	"CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C@](C)(O)CO4"	0	"SLC16A1|SLC16A7"	"Clinical trial"	1	1	NA	"1448671315"
"787048"	"787048"	"azd5582"	"CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3[C@@H](Cc4ccccc34)OCC#CC#CCO[C@@H]5Cc6ccccc6[C@@H]5NC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@H](C)NC)C8CCCCC8"	0	"IAP"	"Clinical trial"	2	2	NA	"1258392538"
"787080"	"787080"	"1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene gold(I) hept..."	"CC(=O)OCC1OC([SH-][Au+]C2N(Cc3ccccc3)C(=C(N2Cc4ccccc4)c5ccccc5)c6ccccc6)C(OC(=O)C)C(OC(=O)C)C1OC7OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C7OC(=O)C"	0	NA	NA	2	2	NA	""
"787092"	"787092"	"N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p..."	"Oc1cccc(c1)c2nn(cc2c3ccnc(NCCCNS(=O)(=O)c4cccc5ccccc45)c3)c6ccccc6"	0	NA	NA	1	1	NA	""
"787104"	"787104"	""	"CS(=O)(=O)N(c1cc(cnc1Cl)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)S(=O)(=O)C"	0	NA	NA	1	1	NA	""
"787105"	"787105"	""	"COc1ncc(cc1NS(=O)(=O)C)c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"787108"	"787108"	""	"COc1ncc(cc1NS(=O)(=O)CCN2CCOCC2)c3ccc4ncnc(Nc5cccc(Cl)c5)c4c3"	0	NA	NA	1	1	NA	""
"787137"	"787137"	"AMG-319"	"C[C@H](Nc1ncnc2[nH]cnc12)c3cc4ccc(F)cc4nc3c5ccccn5"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1608125218"
"787217"	"787217"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](OC(=O)c6occc6)[C@@]7(C)COC(=C57)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"787221"	"787221"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@](C)(COC(=O)C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"787230"	"787230"	""	"CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35"	0	NA	NA	1	1	NA	""
"787231"	"787231"	""	"CC(C)Oc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35"	0	NA	NA	1	1	NA	""
"787232"	"787232"	""	"CCOc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)c5ncnc(N)c35"	0	NA	NA	1	1	NA	""
"787236"	"787236"	""	"COc1cc2ncnc(Nc3ccc(Oc4ccnc(C)c4)c(C)c3)c2cc1NC(=O)CC5CCSS5"	0	NA	NA	2	2	NA	""
"787237"	"787237"	""	"OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CSSC5"	0	NA	NA	2	2	NA	""
"787238"	"787238"	""	"OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC5CSSC5"	0	NA	NA	2	2	NA	""
"787239"	"787239"	""	"OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C5CCCC5"	0	NA	NA	1	1	NA	""
"787247"	"787247"	"N-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N'-(4-fluoro-phenyl..."	"Fc1ccc(Nc2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)N6CCCC6)cc1"	0	NA	NA	1	1	NA	""
"787248"	"787248"	"[4-(1H-Benzoimidazol-2-yl)-phenyl]-(4-morpholin-4-yl-6-p..."	"C1CN(CCO1)c2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)c6ccccc6"	0	NA	NA	1	1	NA	""
"787250"	"787250"	"[4-(1H-Benzoimidazol-2-yl)-phenyl]-[4-(4-fluoro-phenyl)-..."	"Fc1ccc(cc1)c2nc(Nc3ccc(cc3)c4nc5ccccc5[nH]4)nc(n2)N6CCOCC6"	0	NA	NA	1	1	NA	""
"787252"	"787252"	"TAE-226"	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl"	0	"PK:IGF1R,FAK"	"Clinical trial"	2	2	NA	"761437289"
"787278"	"787278"	"(E)-3-(2-ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroqui..."	"CCC1=Nc2cc(\C=C\C(=O)NO)c(F)cc2C(=O)N1CCc3ccccc3"	0	NA	NA	1	1	NA	""
"787282"	"787282"	"N-hydroxy-4-((3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydroq..."	"COc1ccc(cc1)N2C(=O)N(Cc3ccc(cc3)C(=O)NO)c4ccccc4C2=O"	0	NA	NA	1	1	NA	""
"787302"	"787302"	"3-chloro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCOCC5"	0	NA	NA	1	1	NA	""
"787303"	"787303"	"6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-9-methoxy-5H-pyr..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCn5ccnc5"	0	NA	NA	1	1	NA	""
"787304"	"787304"	"3-chloro-6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-9-..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCNC5=NCCS5"	0	NA	NA	1	1	NA	""
"787305"	"787305"	"3-chloro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCC(O)CC5"	0	NA	NA	1	1	NA	""
"787306"	"787306"	"6-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-9-methoxy..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(cc4C(=O)N3CCCN5CCN(CCO)CC5)[N+](=O)[O-]"	0	NA	NA	1	1	NA	""
"787326"	"787326"	"GDC-0810"	"CC\C(=C(\c1ccc(\C=C\C(=O)O)cc1)/c2ccc3[nH]ncc3c2)\c4ccc(F)cc4Cl"	0	"SERD"	"Clinical trial"	2	2	NA	"1365888067"
"787450"	"787450"	""	"CCN(CC)Cc1cc(Nc2cc(c(C#N)c3nc4ccccc4n23)C(F)(F)F)ccc1O"	0	NA	NA	1	1	NA	""
"787457"	"787457"	"brigatinib"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N5CCN(C)CC5"	0	"PK:YK,IGF1R,ALK,EGFR"	"FDA approved"	2	2	NA	"1197953540"
"787490"	"787490"	"1-(4-(4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyr..."	"OCCNC(=S)Nc1ccc(cc1)c2nc(N3C[C@@H]4CC[C@H](C3)O4)c5cccn5n2"	0	NA	NA	2	2	NA	""
"787491"	"787491"	"1-(2-hydroxyethyl)-3-(4-(4-morpholinopyrrolo[2,1-f][1,2,..."	"OCCNC(=O)Nc1ccc(cc1)c2nc(N3CCOCC3)c4cccn4n2"	0	NA	NA	2	2	NA	""
"787533"	"787533"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1cc(CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc(OC)c1"	0	NA	NA	1	1	NA	""
"787534"	"787534"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1cccc(CCNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c1"	0	NA	NA	1	1	NA	""
"787535"	"787535"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCCc3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"787536"	"787536"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc(CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc1"	0	NA	NA	2	2	NA	""
"787537"	"787537"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccccc1CNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	NA	""
"787539"	"787539"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc(CCNC(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)cc1"	0	NA	NA	1	1	NA	""
"787553"	"787553"	"4-(7,10-dihydroxy-6,11-dioxobenzo[f]naphtho[2,3-b][1,4]o..."	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5ccc(cc5)C#N)C(=O)c12"	0	NA	NA	2	2	NA	""
"787554"	"787554"	""	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5cccnc5)C(=O)c12"	0	NA	NA	2	2	NA	""
"787555"	"787555"	""	"NC(=O)c1cccc(c1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	3	3	NA	""
"787583"	"787583"	""	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"787771"	"787771"	"(Z)-2-((1H-indazol-3-yl)methylene)-7-(((3S,4R)-3-fluorop..."	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ccccc34)\Oc2c1C[C@@H]5CCNC[C@H]5F"	0	NA	NA	1	1	NA	""
"787772"	"787772"	"(Z)-2-((1H-pyrazolo[3,4-b]pyridin-3-yl)methylene)-7-(((3..."	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ncccc34)\Oc2c1C[C@@H]5CCNC[C@H]5F"	0	NA	NA	2	2	NA	""
"787774"	"787774"	"(Z)-2-((1H-pyrazolo[3,4-b]pyridin-3-yl)methylene)-7-(((3..."	"COc1ccc2C(=O)\C(=C\c3n[nH]c4ncccc34)\Oc2c1C[C@H]5CCNC[C@H]5F"	0	NA	NA	2	2	NA	""
"787780"	"787780"	"Sabutoclax"	"C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)c3c(C)cc4c(C(=O)NC[C@H](C)c5ccccc5)c(O)c(O)cc4c3O)c6ccccc6"	0	"MCL1"	"Clinical trial"	2	2	NA	"1228108653"
"787794"	"787794"	"3-Benzofurancarboxylic acid, 2-(3,4-dihydroxyphenyl)-2,3..."	"COC(=O)\C=C\c1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	NA	NA	2	2	NA	""
"787798"	"787798"	"3-Benzofurancarboxylic acid, 2-(3,4-dihydroxyphenyl)-2,3..."	"COC(=O)\C=C\c1cc(O)c2OC(C(C(=O)OC)c2c1)c3ccc(O)c(O)c3"	0	NA	NA	3	3	NA	""
"787807"	"787807"	""	"COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C3=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)[C@@](C)(CO)[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC2"	0	NA	NA	1	1	NA	""
"787809"	"787809"	"(Z)-Hexyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)m..."	"CCCCCCOC(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	1	1	NA	""
"787813"	"787813"	"(Z)-N,N-Diethyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-..."	"CCN(CC)C(=O)Cc1c(C)[nH]c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)c1C"	0	NA	NA	1	1	NA	""
"787814"	"787814"	"(Z)-Benzyl 3-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)..."	"COC1=CC(=N/C/1=C\c2[nH]c(C)c(C)c2CCC(=O)OCc3ccccc3)c4ccc[nH]4"	0	NA	NA	1	1	NA	""
"787817"	"787817"	"(Z)-Benzyl 4-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)..."	"COC(=O)CCc1c(\C=C\2/N=C(C=C2OC)c3ccc[nH]3)[nH]c(C)c1C(=O)OCc4ccccc4"	0	NA	NA	3	2	NA	""
"787832"	"787832"	"3-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-2-(4-fluoro-..."	"Cc1nc2cc(ccc2n1Cc3ccccc3)N4C(=O)c5ccccc5N=C4c6ccc(F)cc6"	0	NA	NA	1	1	NA	""
"787834"	"787834"	""	"Sc1cccc2cc(cnc12)C(=O)NCCc3nccs3"	0	NA	NA	1	1	NA	""
"787835"	"787835"	""	"CCOc1ccc(cc1)n2cc(c3ccc(cc3)N(C)C)[n+]4CCCCCc24"	0	NA	NA	2	2	NA	""
"787846"	"787846"	"gilteritinib"	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	"PK:AXL,FLT3"	"FDA approved"	2	2	NA	"1254053434"
"787850"	"787850"	"Platin-B"	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCCCBr)[O-]C(=O)CCCCCBr"	0	NA	NA	2	2	NA	""
"787851"	"787851"	"Platin-M"	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCNC(=O)CCCCC[P+](c5ccccc5)(c6ccccc6)c7ccccc7)[O-]C(=O)CCCCCn8nnc9c%10ccccc%10N(Cc%11ccccc%11c89)C(=O)CCNC(=O)CCCCC[P+](c%12ccccc%12)(c%13ccccc%13)c%14ccccc%14"	0	NA	NA	1	1	NA	""
"787852"	"787852"	"2-Amino-7-(dimethylamino)-4-(1-methyl-1,2,3,4-tetrahydro..."	"CN(C)c1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc4N(C)CCCc4c3"	0	NA	NA	1	1	NA	""
"787853"	"787853"	"2-Amino-4-(2,3-dihydrobenzofuran-5-yl)-7-(dimethylamino)..."	"CN(C)c1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc4OCCc4c3"	0	NA	NA	2	2	NA	""
"787854"	"787854"	"Gilteritinib HCl"	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	NA	NA	2	2	NA	""
"787867"	"787867"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)OCCCCCOC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"787877"	"787877"	""	"NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(=O)(O)O[C@@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@@H]%10C[C@@H](O[C@@H]%10COP(=O)(O)O[C@@H]%11C[C@@H](O[C@@H]%11COP(=O)(O)O[C@@H]%12C[C@@H](O[C@@H]%12COP(=O)(O)OCCOCCOCCOCCOCCOCCO)N%13C=C(F)C(=O)NC%13=O)N%14C=C(F)C(=O)NC%14=O)N%15C=C(F)C(=O)NC%15=O)N%16C=C(F)C(=O)NC%16=O)N%17C=C(F)C(=O)NC%17=O)N%18C=C(F)C(=O)NC%18=O)N%19C=C(F)C(=O)NC%19=O)N%20C=C(F)C(=O)NC%20=O)N%21C=C(F)C(=O)NC%21=O)N%22C=C(F)C(=O)NC%22=O)[C@H](O)C2O"	0	NA	NA	2	2	NA	""
"787880"	"787880"	"OTS-964"	"C[C@@H](CN(C)C)c1ccc(cc1)c2c(O)cc(C)c3NC(=O)c4sccc4c23"	0	"PK:PBK"	"Clinical trial"	4	4	NA	"1338545075"
"787955"	"787955"	"Abraxane (Nanoparticle albumin-bound paclitaxel)"	""	0	NA	NA	1	1	NA	""
"787956"	"787956"	""	"CCOC(=O)Nc1ccc2Oc3ccccc3N(CC)C(=O)c2c1"	0	NA	NA	2	2	NA	""
"787957"	"787957"	""	"COCCOC(=O)NC(=O)Nc1ccc(cc1)\C(=N\O)\c2ccc(Cl)cc2"	0	NA	NA	3	2	NA	""
"787960"	"787960"	"UMI-77"	"OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c3ccccc3c1O"	0	"MCL1"	"Clinical trial"	2	1	NA	"518303203"
"787962"	"787962"	"KU-55933"	"O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5"	0	"PK:ATM"	"Clinical trial"	2	1	NA	"587871269"
"787975"	"787975"	"N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-fur..."	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4occc4)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	NA	"1448338188"
"787977"	"787977"	"2-[5-[[[2-[(trans-4-aminocyclohexyl)amino]-9-cyclopentyl..."	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4ccccc4O)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	NA	"1448338257"
"787978"	"787978"	"N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-thi..."	"NC1CCC(CC1)Nc2nc(NCc3ccc(nc3)c4cccs4)c5ncn(C6CCCC6)c5n2"	0	NA	NA	2	2	NA	"1448338202"
"787979"	"787979"	"[5-(2-Dimethylamino-ethylsulfanyl)- 3-isopropyl-1H-pyraz..."	"CC(C)c1n[nH]c2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN(C)C)nc12"	0	NA	NA	2	2	NA	""
"787980"	"787980"	"[5-(2-Amino-ethylsulfanyl)-3-isopro pyl-1H-pyrazolo[4,3-..."	"CC(C)c1n[nH]c2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN)nc12"	0	NA	NA	2	2	NA	""
"787982"	"787982"	""	"Cc1ccc(cc1)n2c(S)nnc2c3cc4c5ccccc5[nH]c4c(n3)c6cccc(O)c6"	0	NA	NA	1	1	NA	""
"788054"	"788054"	"estra-1,3,5(10)-17B[2-(N,N-dimethylamino)-ethoxyl]-2-met..."	"COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O)OCCN(C)C"	0	NA	NA	1	1	NA	""
"788065"	"788065"	""	"COc1ccc(CN2c3ccccc3Sc4ccccc24)cc1O"	0	NA	NA	1	1	NA	""
"788066"	"788066"	""	"COc1ccc(CN2c3ccccc3Sc4ccccc24)c(c1)C(F)(F)F"	0	NA	NA	1	1	NA	""
"788069"	"788069"	""	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)n5ccccc15"	0	NA	NA	2	2	NA	""
"788104"	"788104"	""	"CS(=O)(=O)c1ccc(cc1NC(=O)Nc2cnc(Oc3ccc(cc3)c4cc(Cl)cnc4N)nc2)C(F)(F)F"	0	NA	NA	2	2	NA	""
"788105"	"788105"	"N-(5-acetyl-2-ethoxyphenyl)-3-(2-ethyl-2H-tetrazol-5-yl)..."	"CCOc1ccc(cc1NC(=O)c2cccc(c2)c3nnn(CC)n3)C(=O)C"	0	NA	NA	1	1	NA	""
"788110"	"788110"	""	"CCC#CC[C@H](O)C\C=C\1/[C@@H](C\C=C/CCCC(=O)OC)C=CC1=O"	0	NA	NA	1	1	NA	""
"788121"	"788121"	"AZD-3759"	"COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N4CCN(C)C[C@H]4C"	0	"PK:EGFR"	"Clinical trial"	2	2	NA	"1626387801"
"788186"	"788186"	"Bafetinib"	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cncnc5)c3)C1"	0	"BCR-ABL|PK:YK,FYN,LYN"	"Clinical trial"	2	2	NA	"859212161"
"788200"	"788200"	""	"FCCOc1ccc(Nc2nc(cs2)C3=Cc4cccc(c4OC3=O)C(F)(F)F)cc1"	0	NA	NA	2	2	NA	""
"788201"	"788201"	""	"COc1ccccc1Nc2nc(cs2)C3=Cc4cccc(c4OC3=O)C(F)(F)F"	0	NA	NA	2	2	NA	""
"788203"	"788203"	"sitravatinib"	"COCCNCc1ccc(nc1)c2cc3nccc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)cc4F)c3s2"	0	"PK:PDGFR,AXL,NTRK,KDR,RET"	"Clinical trial"	2	2	NA	"1123837842"
"788320"	"788320"	"4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)-N-met..."	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@@H](O[C@@H]5C[C@@H](NC(=O)CCCN(C)C6(CC7CCC6C7)c8ccc(F)cc8)[C@H](O)[C@@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	NA	""
"788321"	"788321"	"4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)- N-me..."	"COc1cccc2C(=O)c3c(O)c4C[C@@](O)(C[C@@H](O[C@@H]5C[C@@H](NC(=O)CCCCCN(C)C6(CC7CCC6C7)c8ccc(F)cc8)[C@H](O)[C@@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	NA	""
"788324"	"788324"	""	"CN(C)C(=N)\N=C(/N)\NSC1CCC(CC1)OC(=O)CCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c3ccccc3)C(=O)O[C@H]4C[C@@]5(O)[C@@H](OC(=O)c6ccccc6)[C@@H]7[C@@]8(CO[C@@H]8C[C@H](O)[C@@]7(C)C(=O)[C@H](OC(=O)C)C(=C4C)C5(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"788351"	"788351"	"meso-tetra(6-methoxy)calix[4]pyrrols"	"COc1ccc2OC(=O)C=C(C3c4ccc([nH]4)C(C5=CC(=O)Oc6ccc(OC)cc56)c7ccc([nH]7)C(C8=CC(=O)Oc9ccc(OC)cc89)c%10ccc([nH]%10)C(C%11=CC(=O)Oc%12ccc(OC)cc%11%12)c%13ccc3[nH]%13)c2c1"	0	NA	NA	1	1	NA	""
"788353"	"788353"	"4-(di(1H-pyrrol-2-yl)methyl)-6-methoxy-2H-chromen-2-one"	"COc1ccc2OC(=O)C=C(C(c3ccc[nH]3)c4ccc[nH]4)c2c1"	0	NA	NA	3	2	NA	""
"788356"	"788356"	"meso-tetra(6-methyl coumarin) calix[4]pyrroles"	"Cc1ccc2OC(=O)C=C(C3c4ccc([nH]4)C(C5=CC(=O)Oc6ccc(C)cc56)c7ccc([nH]7)C(C8=CC(=O)Oc9ccc(C)cc89)c%10ccc([nH]%10)C(C%11=CC(=O)Oc%12ccc(C)cc%11%12)c%13ccc3[nH]%13)c2c1"	0	NA	NA	2	1	NA	""
"788365"	"788365"	"PF-06747775"	"COc1nn(C)cc1Nc2nc(nc3c2ncn3C)N4C[C@@H](F)[C@@H](C4)NC(=O)C=C"	0	"PK:EGFR"	"Clinical trial"	2	2	NA	"1776112903"
"788432"	"788432"	""	"O=C(Nc1cn(cn1)c2ccc(cc2)C#N)[C@H]3CCN(C3)C#N"	0	NA	NA	2	2	NA	""
"788433"	"788433"	""	"O=C(Nc1ncc(s1)c2ccncc2)[C@H]3CCN(C3)C#N"	0	NA	NA	2	2	NA	""
"788434"	"788434"	""	"NC(=O)c1ccc2cnc(NC(=O)[C@H]3CCN(C3)C#N)cc2c1"	0	NA	NA	2	2	NA	""
"788435"	"788435"	""	"O=C([C@@H]1CCCN1C#N)N2CCc3c2cccc3c4n[nH]c5ncccc45"	0	NA	NA	2	1	NA	""
"788436"	"788436"	"4-((4,7-difluoro-2-methyl-1H-indol-5-yl)oxy)-6-((4-((3S,..."	"C[C@@H]1CN(C[C@H](C)N1)c2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C#N)cc2"	0	NA	NA	2	2	NA	""
"788437"	"788437"	"(Z)-N'-(2H-pyrano[3,2-b]pyridin-4(3H)-ylidene)-4-(pyrimi..."	"O=C(N\N=C/1\C=COc2cccnc12)N3CCN(CC3)c4ncccn4"	0	NA	NA	2	2	NA	""
"788512"	"788512"	"6-(2-Dimethylaminoethyloxy)-11-(3-chlorophenyl)pyrido[3,..."	"CN(C)CCOc1nc2c3cccnc3cc(c4cccc(Cl)c4)c2c5ncccc15"	0	NA	NA	1	1	NA	""
"788586"	"788586"	"4E-Keto-Mithramycin A"	"CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)C(=O)C(C)O8)[C@@H](O)C(C)O7)[C@H](O)C(C)O6)C(=O)[C@@H](O)[C@@H](C)O"	0	NA	NA	2	2	NA	""
"788604"	"788604"	""	"CC(C)[C@@]12C[C@@H](OC(=O)C3CO3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	1	1	NA	""
"788605"	"788605"	""	"CC(C)[C@@]12C[C@@H](OC(=O)[C@H]3CO3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"788638"	"788638"	"2-ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide"	"CCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"788646"	"788646"	"2-((bis(pyridin-2-ylmethyl)amino)methyl)"	"Oc1c(I)cc(I)cc1CN(Cc2ccccn2)Cc3ccccn3"	0	NA	NA	3	1	NA	""
"788649"	"788649"	"4-(benzo[d]thiazol-2-yl)-2-((bis(pyridin-2-ylmethyl)amin..."	"Oc1ccc(cc1CN(Cc2ccccn2)Cc3ccccn3)c4nc5ccccc5s4"	0	NA	NA	1	1	NA	""
"788650"	"788650"	""	"COc1ccccc1[n+]2cc(c3ccc(cc3)c4ccccc4)n5CCCCCc25"	0	NA	NA	1	1	NA	""
"788689"	"788689"	"Deca-Copper(II)chloride-taxol"	"Cl[Cu](c1c(C(=[O]\[Cu](Cl)Cl)/OC2C3(CC(OC4=[O][Cu](OC4[N]4(C(c5c6[Cu](Cl)(c6ccc5)Cl)O[Cu]4(Cl)Cl)Cc4c5c([Cu]5(Cl)Cl)ccc4)(Cl)Cl)C(=C(C3(C)C)C(OC(C)O[Cu](Cl)Cl)/C(=[O]\[Cu](Cl)Cl)[C@@]3(C2C2(OC(O[Cu](Cl)Cl)C)COC2CC3)C)C)O[Cu](Cl)Cl)cccc1)Cl"	0	NA	NA	2	2	NA	""
"788710"	"788710"	"6,8,11-trimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6..."	"CC1Cc2c(ncnc2n3cnc4cc(C)ccc34)N(C)c5ccc(C)cc15"	0	NA	NA	2	2	NA	""
"788712"	"788712"	"8-methoxy-6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-..."	"COc1ccc2N(C)c3ncnc(c3CC(C)c2c1)n4cnc5cc(C)ccc45"	0	NA	NA	1	1	NA	""
"788725"	"788725"	""	"CC1(C)[C@@H](OC(=O)N)C=C[C@]2(CO)[C@H]3CC[C@]4(C)[C@H]([C@@H](Cl)C[C@]4(O)C3=CC[C@@H]12)C5=COC(=O)C=C5"	0	NA	NA	2	1	NA	""
"788781"	"788781"	"Platin-Cbl"	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCc1ccc(cc1)N(CCCl)CCCl)[O-]C(=O)CCCc2ccc(cc2)N(CCCl)CCCl"	0	NA	NA	1	1	NA	""
"788794"	"788794"	"A-911"	"COc1ccc(F)cc1c2ccnc3[nH]c(cc23)C4=CCN(CC4)[C@@H]5CC[C@@H](CC(=O)O)CC5"	0	"PK:CDK,CDK9"	"Clinical trial"	1	1	NA	"1628301847"
"788805"	"788805"	"5-((1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methyl..."	"COc1ccc(cc1O)C(c2cc(OC)c(OC)c(OC)c2)n3cncn3"	0	NA	NA	1	1	NA	""
"788806"	"788806"	"5-((1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methyl)-2-m..."	"COc1ccc(cc1O)C(c2cc(OC)c(OC)c(OC)c2)n3ccnc3"	0	NA	NA	1	1	NA	""
"788807"	"788807"	"(E)-5-(3-(1H-1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphen..."	"COc1ccc(\C=C\C(c2cc(OC)c(OC)c(OC)c2)n3cncn3)cc1O"	0	NA	NA	1	1	NA	""
"788811"	"788811"	"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(piperazin-1-yl)-2-(..."	"COc1ccc(\C=C(\C(=O)N2CCNCC2)/c3cc(OC)c(OC)c(OC)c3)cc1O"	0	NA	NA	1	1	NA	""
"788815"	"788815"	"dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dih..."	"COc1cc(cc(OC)c1OC)C2C(=C(C)NC(=C2C(=O)OCc3ccccc3)C)C(=O)OCc4ccccc4"	0	NA	NA	1	1	NA	""
"788816"	"788816"	"(3R,4S)-3-hydroxy-4-(4-(methylthio)phenyl)-1-(3,4,5-trim..."	"COc1cc(cc(OC)c1OC)N2C([C@@H](O)C2=O)c3ccc(SC)cc3"	0	NA	NA	1	1	NA	""
"788817"	"788817"	"(3R,4R)-4-(4-(methylthio)phenyl)-3-phenyl-1-(3,4,5-trime..."	"COc1cc(cc(OC)c1OC)N2C([C@H](C2=O)c3ccccc3)c4ccc(SC)cc4"	0	NA	NA	1	1	NA	""
"788818"	"788818"	"(3R,4S)-3-chloro-4-(4-(methylthio)phenyl)-1-(3,4,5-trime..."	"COc1cc(cc(OC)c1OC)N2C([C@@H](Cl)C2=O)c3ccc(SC)cc3"	0	NA	NA	1	1	NA	""
"788819"	"788819"	"(3R,4R)-4-(3-fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-t..."	"COc1ccc(cc1F)C2[C@H](C(=O)N2c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	NA	NA	1	1	NA	""
"788820"	"788820"	"(3R,4S)-3-chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-t..."	"COc1ccc(cc1Cl)C2[C@@H](Cl)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"788821"	"788821"	"4-((nitrooxy)methyl)phenyl benzoate"	"[O-][N+](=O)OCc1ccc(OC(=O)c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"788822"	"788822"	"Benzoic acid (4-chlormethyphenyl ) ester"	"ClCc1ccc(OC(=O)c2ccccc2)cc1"	0	NA	NA	1	1	NA	""
"788870"	"788870"	"7-(2,3,4-trimethoxybenzyl)-3-aminobenzimidazo[3,2-a]quin..."	"COc1ccc(Cn2c3ccccc3[n+]4c5ccc(N)cc5ccc24)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"788899"	"788899"	""	"CCn1c(S)nnc1c2cc3c4ccccc4[nH]c3c(n2)c5cccc(O)c5"	0	NA	NA	1	1	NA	""
"788900"	"788900"	"napabucasin"	"CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1"	0	"CTNNB1|STAT3"	"Clinical trial"	2	2	NA	"83280653"
"788907"	"788907"	"1,1'-(decane-1,10-diyl)bis(3-(naphthalen-2-ylmethyl)imid..."	"C(CCCCCn1cc[n+](Cc2ccc3ccccc3c2)c1)CCCCn4cc[n+](Cc5ccc6ccccc6c5)c4"	0	NA	NA	1	1	NA	""
"788908"	"788908"	"4,5-dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazolium b..."	"Clc1c(Cl)n(Cc2ccc3ccccc3c2)c[n+]1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	"1404549014"
"788909"	"788909"	"1,3-bis(naphthalen-2-ylmethyl)benzimidazolium bromide"	"C(c1ccc2ccccc2c1)[n+]3cn(Cc4ccc5ccccc5c4)c6ccccc36"	0	NA	NA	1	1	NA	"1665295726"
"788910"	"788910"	"4-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide"	"Cc1c[n+](Cc2ccc3ccccc3c2)cn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"788911"	"788911"	"1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide"	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5c4)c3"	0	NA	NA	1	1	NA	"1215070191"
"788912"	"788912"	"2-ethyl-1,3-bis(quinolin-2-ylmethyl)imidazolium bromide"	"CCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	1	1	NA	""
"788913"	"788913"	"1,3-bis(naphthalen-2-ylmethyl)-4,5-diphenylimidazolium b..."	"C(c1ccc2ccccc2c1)[n+]3cn(Cc4ccc5ccccc5c4)c(c6ccccc6)c3c7ccccc7"	0	NA	NA	1	1	NA	""
"788914"	"788914"	"1-((6-methoxynaphthalen-2-yl)methyl)-3-(naphthalen-2-ylm..."	"COc1ccc2cc(Cn3cc[n+](Cc4ccc5ccccc5c4)c3)ccc2c1"	0	NA	NA	1	1	NA	""
"788915"	"788915"	"3-(naphthalen-2-ylmethyl)-1-(quinolin-2-ylmethyl)imidazo..."	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5n4)c3"	0	NA	NA	1	1	NA	""
"788966"	"788966"	""	"CO\N=C(\C)/c1ccc(NC(=O)CSc2nnc(c3ccncc3)n2c4ccccc4)cc1"	0	NA	NA	1	1	NA	""
"788999"	"788999"	""	"COc1ccc(cc1)c2cc(C(=O)N3N=C(CC3c4ccc(Cl)cc4)c5ccc(N)cc5)c6ccccc6n2"	0	NA	NA	1	1	NA	""
"789000"	"789000"	""	"Cc1ccc(cc1)c2cc(C(=O)N3N=C(CC3c4ccc(Cl)cc4)c5ccc(N)cc5)c6ccccc6n2"	0	NA	NA	1	1	NA	""
"789001"	"789001"	""	"COc1cc(ccc1Cl)c2nc(NC(=O)C)sc2c3ccnc(NCCNS(=O)(=O)c4ccccc4)n3"	0	NA	NA	1	1	NA	""
"789012"	"789012"	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCOCC5)c4"	0	NA	NA	1	1	NA	""
"789013"	"789013"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCN(C)CC5)c4"	0	NA	NA	1	1	NA	""
"789041"	"789041"	"GSK-295"	"CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(cc2)c3cn4cccc([C@H](C)O)c4n3"	0	"CENP"	"Clinical trial"	1	1	NA	"1088965370"
"789042"	"789042"	"LOR-253"	"Cc1[nH]c2ccc(F)cc2c1c3nc4c5cccnc5c6ncccc6c4[nH]3"	0	"KLF4|MYC|MTF1"	"Clinical trial"	2	2	NA	"916151990"
"789043"	"789043"	"ARV-825"	"Cc1sc2c(C(=N[C@@H](CC(=O)Nc3ccc(OCCOCCOCCOCCNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)cc3)c7nnc(C)n27)c8ccc(Cl)cc8)c1C"	0	"BRD"	"Clinical trial"	2	2	NA	"1818885287"
"789044"	"789044"	"CCT-271850"	"COc1cc(ccc1Nc2ncc3ccnc(N[C@@H](C)C(C)(C)C)c3n2)c4cnn(C)c4"	0	"IDUA"	"Clinical trial"	2	2	NA	"1578244344"
"789099"	"789099"	"LY-3154567"	"CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc3cccnc3"	0	"NAMPT"	"Clinical trial"	2	2	NA	"1698878146"
"789115"	"789115"	""	"CCCCN1C(=O)NC(=C([C@@H]2C3=C(NC(=O)N(CCCC)C3=O)Oc4ccc5ccccc5c24)C1=O)N"	0	NA	NA	1	1	NA	""
"789120"	"789120"	""	"COc1cc(C(=O)Nc2cc3NC(=O)[C@H](CC(=O)N(C)O)N(C)C(=O)c3cc2Oc4cc(C)cc(C)c4)c(Br)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"789149"	"789149"	""	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"789150"	"789150"	""	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"789178"	"789178"	"2-{3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl..."	"NC(=O)OCCn1cc(c2nc(cs2)c3c[nH]c4ncccc34)c5ccccc15"	0	NA	NA	1	1	NA	""
"789194"	"789194"	"3-{2-[5-Methoxy-1-(4-morpholin-4-yl-butyl)-1H-indol-3-yl..."	"COc1ccc2c(c1)c(cn2CCCCN3CCOCC3)c4nc(cs4)c5cn(C)c6ncccc56"	0	NA	NA	2	1	NA	""
"789195"	"789195"	"3-{2-[5-Methoxy-1-(4-morpholin-4-yl-butyl)-1H-indol-3-yl..."	"COc1ccc2c(c1)c(cn2CCCCN3CCOCC3)c4nc(cs4)c5c[nH]c6ncccc56"	0	NA	NA	1	1	NA	""
"789210"	"789210"	"N-(3-chlorobenzyl)-3-amine-6,7-dimethoxy-1-methylisoquin..."	"COc1cc2cc(NCc3cccc(Cl)c3)nc(C)c2cc1OC"	0	NA	NA	1	1	NA	""
"789224"	"789224"	"CS-5181;1,6-Naphthryidin-5(6H)-one, 3-phenyl-2-[4-[[4-[5..."	"O=C1NC=Cc2nc(c3ccc(CN4CCC(CC4)c5n[nH]c(n5)c6ccccn6)cc3)c(cc12)c7ccccc7"	0	NA	NA	2	2	NA	"893422474"
"789237"	"789237"	""	"CCCCCSC1C2C(=O)C(=CC13CCNC4=C3C5=[N+]2CCc6c[nH]c(C4=O)c56)Br"	0	NA	NA	1	1	NA	""
"789274"	"789274"	"4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xant..."	"O=C1CCCC2=C1C(C3=C(O2)C(=O)c4ccccc4C3=O)c5ccc(cc5)C#N"	0	NA	NA	1	1	NA	""
"789276"	"789276"	"4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xant..."	"NC(=O)c1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	NA	""
"789277"	"789277"	"4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xant..."	"NS(=O)(=O)c1ccc(cc1)C2C3=C(CCCC3=O)OC4=C2C(=O)c5ccccc5C4=O"	0	NA	NA	1	1	NA	""
"789278"	"789278"	"4-(2-benzyl-7-chloro-1,3-dioxo-2,3-dihydro-1H-benzo[f]py..."	"Clc1ccc2OC3=C(N(Cc2c1)c4ccc(cc4)C#N)C(=O)N(Cc5ccccc5)C3=O"	0	NA	NA	1	1	NA	""
"789279"	"789279"	"4-(7-chloro-2-(4-fluorobenzyl)-1,3-dioxo-2,3-dihydro-1H-..."	"Fc1ccc(CN2C(=O)C3=C(N(Cc4cc(Cl)ccc4O3)c5ccc(cc5)C#N)C2=O)cc1"	0	NA	NA	2	2	NA	""
"789291"	"789291"	"2,3,4,9-Tetrahydro-1-(4-(2,3,4,9-tetrahydro-1H-pyrido[3,..."	"C1Cc2c([nH]c3ccccc23)C(N1)c4ccc(cc4)C5NCCc6c5[nH]c7ccccc67"	0	NA	NA	1	1	NA	""
"789518"	"789518"	""	"Oc1cccc2C(=O)c3cc(NC(=O)CCl)cc(O)c3C(=O)c12"	0	NA	NA	2	2	NA	""
"789520"	"789520"	""	"ClCC(=O)Nc1cc(OCCN=[N+]=[N-])c2C(=O)c3c(OCCN=[N+]=[N-])cccc3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"789521"	"789521"	""	"ClCC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1"	0	NA	NA	2	1	NA	""
"789549"	"789549"	"3-chloro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCNCC5"	0	NA	NA	1	1	NA	""
"789550"	"789550"	"3-chloro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCCC5"	0	NA	NA	1	1	NA	""
"789551"	"789551"	"3-chloro-9-methoxy-6-(3-(4-methylpiperazin-1-yl)propyl)-..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCN5CCN(C)CC5"	0	NA	NA	1	1	NA	""
"789552"	"789552"	"3-chloro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(Cl)cc4C(=O)N3CCCNC(C)C"	0	NA	NA	1	1	NA	""
"789553"	"789553"	"3-chloro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3..."	"CNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	NA	""
"789554"	"789554"	"3-chloro-6-(3-(ethylamino)propyl)-9-methoxy-5H-pyrido[3'..."	"CCNCCCN1C(=O)c2cc(Cl)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	NA	""
"789645"	"789645"	"(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-(4-fluo..."	"CC1(C)CCC(CC1)S(=O)(=O)c2ccc3c(c2)\C(=N/O)\c4cc(ccc34)S(=O)(=O)N5CCN(CC5)c6ccc(F)cc6O"	0	NA	NA	1	1	NA	""
"789646"	"789646"	"(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-hydroxy..."	"CC1(C)CCC(CC1)S(=O)(=O)c2ccc3c4ccc(cc4\C(=N\O)\c3c2)S(=O)(=O)N5CCC(O)(CC5)c6cccc(c6)C(F)(F)F"	0	NA	NA	2	2	NA	""
"789684"	"789684"	"N-[5-(4-chlorophenyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]..."	"FC(F)(F)C(=O)Nc1nc(nc2N(C(=S)Sc12)c3ccccc3)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"789694"	"789694"	""	"Oc1ccc(cc1C2=NCC(O2)c3ccc(cc3)c4ccccc4)C#N"	0	NA	NA	1	1	NA	""
"789696"	"789696"	""	"Oc1ccc(cc1C2=NCC(O2)c3cccc(Oc4ccccc4)c3)C#N"	0	NA	NA	1	1	NA	""
"789703"	"789703"	"5-chloro-2-{[(4-fluorophenyl)methane]sulfonyl}-N- (5-met..."	"Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc3ccc(F)cc3)s1"	0	NA	NA	1	1	NA	""
"789722"	"789722"	"Litronesib"	"CCNCCS(=O)(=O)NC[C@]1(SC(=NN1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c2ccccc2"	0	"TUBB|CDH16|KIF11"	"Clinical trial"	2	2	NA	"910634412"
"789741"	"789741"	""	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5c(C)cc(C)cn15"	0	NA	NA	2	2	NA	""
"789742"	"789742"	""	"COc1ccn2c(cc(C(=O)c3ccc4Nc5ccccc5Sc4c3)c2c1)C(=O)C"	0	NA	NA	2	2	NA	""
"789744"	"789744"	""	"COc1ccc(CN2c3ccccc3CCc4ccccc24)cc1F"	0	NA	NA	1	1	NA	""
"789766"	"789766"	"1,1'-(dodecane-1,12-diyl)bis(3-(naphthalen-2-ylmethyl)im..."	"C(CCCCCCn1cc[n+](Cc2ccc3ccccc3c2)c1)CCCCCn4cc[n+](Cc5ccc6ccccc6c5)c4"	0	NA	NA	1	1	NA	""
"789793"	"789793"	"(2-(1H-indol-6-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3ccc4cc[nH]c4c3"	0	NA	NA	2	2	NA	""
"789794"	"789794"	"(2-(1H-indol-4-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe..."	"COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3cccc4[nH]ccc34"	0	NA	NA	2	2	NA	""
"789796"	"789796"	""	"COc1cccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)c1"	0	NA	NA	1	1	NA	""
"789797"	"789797"	"SW-044248"	"CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc4ccccc4OC"	0	"TOP1"	"Clinical trial"	2	2	NA	"522650835"
"789800"	"789800"	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	NA	""
"789801"	"789801"	""	"COC(=O)[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	NA	""
"789803"	"789803"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)C3(CC3)NC(=O)[C@H]4CCCCN4C)OC(=O)C"	0	NA	NA	2	2	NA	""
"789804"	"789804"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)C3(CCC3)NC(=O)[C@H]4CCCCN4C)OC(=O)C"	0	NA	NA	2	2	NA	""
"789805"	"789805"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)c4ccc(F)cc4)OC(=O)C"	0	NA	NA	3	2	NA	""
"789806"	"789806"	""	"COC(=O)[C@H](Cc1ccccc1)NNC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	3	2	NA	""
"789833"	"789833"	""	"Cc1cc[n]2c3c1ccc1c(C)cc[n](c31)[Ru+2]13452([Cl-])([C-]2C1=C3C4=C52)P(c1ccccc1)(c1ccccc1)c1ccccc1"	0	NA	NA	2	2	NA	""
"789834"	"789834"	""	"[Cl-][Ru+2]12345([C-]6C1=C2C3=C46)(P(c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccc2ccc3ccc[n]5c3c12"	0	NA	NA	1	1	NA	""
"789852"	"789852"	"ethyl 5-(4-chlorophenyl)-3-(pyridin-3-yl)-1H-pyrrole-2-c..."	"CCOC(=O)c1[nH]c(cc1c2cccnc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"789871"	"789871"	"C16-AMS"	"CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23"	0	NA	NA	2	2	NA	""
"789880"	"789880"	""	"CN(C)CCS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	NA	NA	2	2	NA	""
"789881"	"789881"	""	"Fc1ccc(Nc2ncnc3ccc(cc23)c4cnc(Cl)c(NS(=O)(=O)CCN5CCOCC5)c4)cc1Cl"	0	NA	NA	1	1	NA	""
"789925"	"789925"	"ABL-001"	"O[C@@H]1CCN(C1)c2ncc(cc2c3ccn[nH]3)C(=O)Nc4ccc(OC(F)(F)Cl)cc4"	0	"BCR-ABL"	"FDA approved"	1	1	NA	"1492952767"
"789941"	"789941"	""	"COc1ccc(cc1)c2nnc(SCC(=O)Nc3ccc(cc3)C(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)n2CC=C"	0	NA	NA	2	2	NA	""
"789944"	"789944"	"Elaiophylin"	"CC[C@@H]1[C@@H](C)O[C@](O)(C[C@H]1O[C@H]2C[C@@H](O)[C@H](O)C(C)O2)[C@@H](C)[C@H](O)[C@H](C)[C@H]3OC(=O)\C=C\C=C\[C@H](C)[C@H](OC(=O)\C=C\C=C\[C@@H]3C)[C@@H](C)[C@@H](O)[C@H](C)[C@@]4(O)C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)C(C)O5)[C@H](CC)[C@@H](C)O4"	0	NA	NA	1	1	NA	""
"789947"	"789947"	"Haloquinone"	"CC(=O)c1cc2c3cccc(O)c3C(=O)C(=O)c2c(O)c1C"	0	NA	NA	2	1	NA	""
"789948"	"789948"	"Ikarugamycin"	"CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4\C=C\C(=O)C5=C(O)[C@H](CCCNC(=O)\C=C/C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O"	0	NA	NA	2	1	NA	""
"789949"	"789949"	"Ansatrienin A"	"CO[C@@H]1CC(=O)NC2=CC(=O)C=C(CC\C=C(\C)/[C@H](O)[C@@H](C)[C@H](C\C=C\C=C\C=C\1)OC(=O)[C@@H](C)NC(=O)C3CCCCC3)C2=O"	0	NA	NA	1	1	NA	""
"789968"	"789968"	"LY-3023414"	"CO[C@@H](C)CN1C(=O)N(C)c2cnc3ccc(cc3c12)c4cncc(c4)C(C)(C)O"	0	"PK:PIK3,MTOR"	"Clinical trial"	1	1	NA	"1386874061"
"789969"	"789969"	"SB-202190"	"Oc1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4"	0	"PK:MAPK14"	"Clinical trial"	1	1	NA	"152121307"
"790009"	"790009"	""	"CCn1c(SC)nnc1c2cc3c4ccccc4[nH]c3c(n2)c5cccc(O)c5"	0	NA	NA	1	1	NA	""
"790031"	"790031"	""	"Nc1c(sc(Nc2ccccc2)c1c3nc4ccccc4s3)C(=O)c5ccc(Cl)cc5"	0	NA	NA	2	2	NA	""
"790090"	"790090"	"F1177-0076"	"COc1ccc(cc1)C2=CC(N3NC=NC3=N2)c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"790091"	"790091"	"(5,10,11-Trimethyl-10H-pyrido[3,4-b]carbazol-7-yl)methanol"	"Cc1c2ccncc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	1	1	NA	""
"790093"	"790093"	"6-Ethyl-9-hydroxy-5,11-dimethyl-2-tetradecyl-6H-pyrido[4..."	"CCCCCCCCCCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c4cc(O)ccc4n3CC"	0	NA	NA	1	1	NA	""
"790102"	"790102"	"Methyl 5,10,11-trimethyl-10H-pyrido[3,4-b]carbazole-7-ca..."	"COC(=O)c1ccc2c(c1)c3c(C)c4ccncc4c(C)c3n2C"	0	NA	NA	1	1	NA	""
"790110"	"790110"	"5-Quinolinecarboxaldehyde, 8-amino-, 2-(8-amino-4-quinol..."	"Nc1cccc2c(N\N=C\c3ccc(N)c4ncccc34)ccnc12"	0	NA	NA	1	1	NA	""
"790130"	"790130"	""	"CC[C@H](C)[C@H](NC(=O)c1ncccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"790131"	"790131"	""	"CC[C@H](C)[C@H](NC(=O)c1cnccn1)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	1	NA	""
"790132"	"790132"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2cccc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	3	2	NA	""
"790133"	"790133"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2cccc(n2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"790134"	"790134"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2cccc(n2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"790135"	"790135"	""	"CC[C@H](C)[C@H](NC(=O)c1cccn1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"790136"	"790136"	""	"CC[C@H](C)[C@H](NC(=O)c1nccn1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"790137"	"790137"	""	"COC(=O)C12C3C4C1C5C2C3C45NC(=O)c6csc(n6)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]7CCCCN7C)C8CC8)OC(=O)C"	0	NA	NA	2	2	NA	""
"790138"	"790138"	""	"COC(=O)C12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C5CC5)OC(=O)C"	0	NA	NA	2	2	NA	""
"790139"	"790139"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"790144"	"790144"	""	"CC\C(=C(/c1ccc(Cl)cc1)\c2ccc(OCCN3CCCCC3)cc2)\c4ccc(O)cc4"	0	NA	NA	1	1	NA	""
"790148"	"790148"	""	"CC\C(=C(\c1ccc(O)cc1)/c2ccc(OCCN3CCCCC3)cc2)\c4ccc(OC)cc4"	0	NA	NA	1	1	NA	""
"790429"	"790429"	""	"COc1ccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)cc1"	0	NA	NA	1	1	NA	""
"790430"	"790430"	""	"Oc1ccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)cc1"	0	NA	NA	1	1	NA	""
"790431"	"790431"	""	"Oc1cccc(Oc2ccccc2NC(=O)CNC(=O)c3cccc4ccccc34)c1"	0	NA	NA	1	1	NA	""
"790434"	"790434"	""	"Clc1ccc(cc1)C2=NN(C=O)C(C2)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	NA	""
"790435"	"790435"	""	"COc1ccc(cc1)C2=NN(C=O)C(C2)c3cccc(Nc4ccnc5cc(Cl)ccc45)c3"	0	NA	NA	1	1	NA	""
"790458"	"790458"	"2-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide"	"Cc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"790459"	"790459"	"1,3-bis(naphthalen-2-ylmethyl)-2-propylimidazolium bromide"	"CCCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"790460"	"790460"	"2-butyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide"	"CCCCc1[n+](Cc2ccc3ccccc3c2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"790461"	"790461"	"1,3-bis(naphthalen-2-ylmethyl)-2-phenylimidazolium bromide"	"C(c1ccc2ccccc2c1)[n+]3ccn(Cc4ccc5ccccc5c4)c3c6ccccc6"	0	NA	NA	1	1	NA	""
"790462"	"790462"	"2-(3-hydroxypropyl)-1,3-bis(naphthalen-2-ylmethyl)benzim..."	"OCCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"790463"	"790463"	"5,6-dimethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazoli..."	"Cc1cc2c(cc1C)n(Cc3ccc4ccccc4c3)c[n+]2Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"790464"	"790464"	"2-methyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazolium b..."	"Cc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"790465"	"790465"	"1,3-bis(quinolin-2-ylmethyl)benzimidazolium chloride"	"C(c1ccc2ccccc2n1)[n+]3cn(Cc4ccc5ccccc5n4)c6ccccc36"	0	NA	NA	1	1	NA	""
"790466"	"790466"	"5,6-dimethyl-1,3-bis(quinolin-2-ylmethyl)benzimidazolium..."	"Cc1cc2c(cc1C)n(Cc3ccc4ccccc4n3)c[n+]2Cc5ccc6ccccc6n5"	0	NA	NA	1	1	NA	""
"790485"	"790485"	""	"C[C@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)NC3CC(C)(C)NC(C)(C)C3)c4ccc(c(F)c4)c5ccccc5"	0	NA	NA	1	1	NA	"1333205858"
"790508"	"790508"	""	"C[C@@H]1[C@H]2[C@@H](O[C@]13CCC(C)(C)O3)C=C4[C@@H]5CC[C@H]6Cc7nc8C[C@@]9(C)[C@@H](CC[C@@H]%10[C@@H]9C[C@@H](O)[C@@]%11(C)C%10=C[C@@H]%12O[C@@]%13(CC[C@](C)(CO)O%13)[C@@H](C)[C@@]%11%12O)Cc8nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]24C"	0	NA	NA	2	2	NA	""
"790509"	"790509"	"3-fluoro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCOCC5"	0	NA	NA	1	1	NA	""
"790510"	"790510"	"6-(3-(1H-imidazol-1-yl)propyl)-3-fluoro-9-methoxy-5H-pyr..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCn5ccnc5"	0	NA	NA	1	1	NA	""
"790511"	"790511"	"3-fluoro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCNCC5"	0	NA	NA	1	1	NA	""
"790512"	"790512"	"3-fluoro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3..."	"CNCCCN1C(=O)c2cc(F)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	NA	""
"790513"	"790513"	"6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-3-fluoro-9-..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCNC5=NCCS5"	0	NA	NA	1	1	NA	""
"790514"	"790514"	"6-(3-(ethylamino)propyl)-3-fluoro-9-methoxy-5H-pyrido[3'..."	"CCNCCCN1C(=O)c2cc(F)ccc2C3=C1c4ncc(OC)cc4C3=O"	0	NA	NA	1	1	NA	""
"790515"	"790515"	"3-fluoro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCCC5"	0	NA	NA	1	1	NA	""
"790516"	"790516"	"3-fluoro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCN5CCC(O)CC5"	0	NA	NA	1	1	NA	""
"790517"	"790517"	"3-fluoro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid..."	"COc1cnc2C3=C(C(=O)c2c1)c4ccc(F)cc4C(=O)N3CCCNC(C)C"	0	NA	NA	1	1	NA	""
"790562"	"790562"	""	"Cc1ccc(\C=C(\C#N)/n2nnc3ncccc23)cc1"	0	NA	NA	1	1	NA	""
"790632"	"790632"	""	"CN1CCC(CNc2cc(ncn2)C3(CC3)C(=O)Nc4cc(ccc4F)C(=O)Nc5ccc(Cl)c(c5)C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"790633"	"790633"	""	"COC(=O)C1CCc2sc3ncnc(Nc4c[nH]nc4C(=O)Nc5ccc(CN6CCN(C)CC6)cc5)c3c12"	0	NA	NA	1	1	NA	""
"790634"	"790634"	""	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4ncnc5sc6CCCCc6c45)cc2)CC1"	0	NA	NA	1	1	NA	""
"790649"	"790649"	"4-(((5S,6R,7S,9R)-6-hydroxy-5-methyl-14,16-dioxo-5,6,7,8..."	"CC12O[C@H](C[C@@H](OC(=O)CCC(=O)O)[C@H]1O)n3c4ccccc4c5c6C(=O)NC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	1	1	NA	""
"790650"	"790650"	"N-((5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-5,6,7,8,9,14,..."	"COC1[C@H](C[C@H]2OC1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)C=C"	0	NA	NA	2	2	NA	""
"790651"	"790651"	"N1-(7-chloroquinolin-4-yl)-N2-(2-(pyrrolidin-1-yl)quinaz..."	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCCC5)ccnc2c1"	0	NA	NA	2	1	NA	""
"790652"	"790652"	"N1-(7-chloroquinolin-4-yl)-N2-(2-(4-methylpiperazin-1-yl..."	"CN1CCN(CC1)c2nc(NCCNc3ccnc4cc(Cl)ccc34)c5ccccc5n2"	0	NA	NA	1	1	NA	""
"790653"	"790653"	"7-chloro-N-(4-(2-morpholino-6-(3,4,5-trimethoxyphenyl)py..."	"COc1cc(cc(OC)c1OC)c2cc(nc(n2)N3CCOCC3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	NA	""
"790654"	"790654"	""	"CCN1CCN(CC1)c2cc(C)nc(n2)N(CCCNc3ccnc4cc(Cl)ccc34)Cc5ccc6OCOc6c5"	0	NA	NA	1	1	NA	""
"790659"	"790659"	""	"CCN1CCN(CC1)c2nc(C)cc(n2)N(CCNc3ccnc4cc(Cl)ccc34)Cc5ccc6OCOc6c5"	0	NA	NA	1	1	NA	""
"790660"	"790660"	""	"Clc1ccc2c(NCCCNCc3ccc4OCOc4c3)ccnc2c1"	0	NA	NA	1	1	NA	""
"790661"	"790661"	""	"Cc1cc(nc(n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4ccc5OCOc5c4)N6CCCC6"	0	NA	NA	1	1	NA	""
"790663"	"790663"	""	"Cc1cc(nc(Cl)n1)N(CCCNc2ccnc3cc(Cl)ccc23)Cc4cccs4"	0	NA	NA	1	1	NA	""
"790668"	"790668"	""	"Cc1cc(nc(n1)N(CCNc2ccnc3cc(Cl)ccc23)Cc4cccs4)N5CCOCC5"	0	NA	NA	1	1	NA	""
"790669"	"790669"	""	"CC(=CCc1cc2OC(C=C(C)C)C3=C(C(=O)C4=C(NCCS4(=O)=O)C3=O)c2cc1O)C"	0	NA	NA	2	2	NA	""
"790671"	"790671"	""	"CC(=CCc1cc(O)cc2C3=C(C(Oc12)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C"	0	NA	NA	1	1	NA	""
"790865"	"790865"	"EPZ-020411"	"CNCCN(C)Cc1c[nH]nc1c2ccc(O[C@@H]3C[C@H](C3)OCCC4CCOCC4)cc2"	0	"PRMT6"	"Clinical trial"	2	1	NA	"1700663417"
"790901"	"790901"	""	"Cc1cc2c(c(O)c(O)cc2c(O)c1c3c(C)cc4c(c(O)c(O)cc4c3O)c5nc6ccccn6c5N)c7nc8ccccn8c7N"	0	NA	NA	1	1	NA	""
"790909"	"790909"	""	"COC(=O)C1=C(C(=O)OC)C23C=C(C)C1C2=C(C)C4(CC4)[C@@](C)(O)C3=O"	0	NA	NA	2	2	NA	""
"790910"	"790910"	""	"CC1=C(CCCNS(=O)(=O)C)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	2	2	NA	""
"790912"	"790912"	""	"[Cl-][Pt+2](N)(N)\N=C(/CC)\N(C)CCNc1c2ccccc2nc3c1ccc4ccccc34"	0	NA	NA	1	1	NA	""
"790949"	"790949"	"[3-(4,5,6,7-Tetrahydro-benzo[b]thiophen-3-yl)-7H-[1,2,4]..."	"Cc1ccc(NC2=Nn3c(SC2)nnc3c4csc5CCCCc45)cc1"	0	NA	NA	1	1	NA	""
"790965"	"790965"	"(((1-(benzoyloxy)-2-oxopiperidin-3-yl)phosphoryl)bis(oxy..."	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(OC(=O)c2ccccc2)C1=O"	0	NA	NA	1	1	NA	""
"790966"	"790966"	"8-((4-hydroxycyclohexyl)amino)-3-propyl-6-(3,6,6-trimeth..."	"CCCC1=Cc2cc(cc(NC3CCC(O)CC3)c2C(=O)N1)n4nc(C)c5C(=O)CC(C)(C)Cc45"	0	NA	NA	2	2	NA	""
"790970"	"790970"	"neolymphostin A"	"CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23"	0	NA	NA	2	2	NA	""
"790974"	"790974"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccc(F)cc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"790975"	"790975"	""	"CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"790976"	"790976"	""	"COC(=O)[C@@H](C)C[C@H](Cc1cn(C)c2ccccc12)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"790978"	"790978"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(CC[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)n2"	0	NA	NA	2	2	NA	""
"790980"	"790980"	""	"COC(=O)C12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"790981"	"790981"	""	"COC(=O)CC12CC(C1)(C2)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"790982"	"790982"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccc(F)cc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C4CC4)OC(=O)C"	0	NA	NA	2	2	NA	""
"790983"	"790983"	""	"COC(=O)[C@@H]1CC[C@H](CC1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"790988"	"790988"	""	"CCN1\C(=C\C=C\c2[n+](CC)c3cc(ccc3n2c4ccccc4)c5nc6ccccc6s5)\N(c7ccccc7)c8ccc(cc18)c9nc%10ccccc%10s9"	0	NA	NA	2	2	NA	""
"790989"	"790989"	""	"C[n+]1c(\C=C\2/SC(=C(N2CC=C)c3ccccc3)c4ccccc4)sc5ccccc15"	0	NA	NA	1	1	NA	""
"790990"	"790990"	""	"COc1ccc2S\C(=C\C=C\C3=[N+](C)c4ccccc4C3(C)C)\N(CC=C)c2c1"	0	NA	NA	2	2	NA	""
"791000"	"791000"	"ipomoeassin F"	"CCCCC[C@H]1CCCCCCC(=O)CCC(=O)OCC2O[C@@H](O[C@@H]3C(O)[C@@H](OC(=O)C)C(C)O[C@H]3O1)C(O)[C@@H](OC(=O)\C(=C\C)\C)[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	2	2	NA	""
"791001"	"791001"	""	"CCCCC[C@@H](CC=C)O[C@@H]1OC(C)[C@H](OC(=O)C)C(O)[C@H]1O[C@@H]2OC(COC(=O)CCC(=O)CCCC=C)[C@@H](OC(=O)\C=C\c3ccccc3)[C@H](OC(=O)\C(=C\C)\C)C2O"	0	NA	NA	2	2	NA	""
"791021"	"791021"	""	"CSC1=C(N)C(=O)c2[nH]cc(CO)c2C1=N"	0	NA	NA	1	1	NA	""
"791022"	"791022"	""	"OCc1c[nH]c2C(=O)C3=C(SCCN3)C(=N)c12"	0	NA	NA	1	1	NA	""
"791023"	"791023"	""	"OCc1c[nH]c2C(=O)C3=C(C(=N)c12)S(=O)CCN3"	0	NA	NA	1	1	NA	""
"791024"	"791024"	""	"O=C1C=C(Oc2c(csc12)c3ccc4OCCOc4c3)N5CCOCC5"	0	NA	NA	2	1	NA	""
"791047"	"791047"	"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1..."	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccccc3)/c4cc(OC)c(OC)c(OC)c4)cc1O"	0	NA	NA	1	1	NA	""
"791048"	"791048"	"(3R,4S)-4-(3-fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-..."	"COc1ccc(cc1F)[C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"791049"	"791049"	"(3R,4S)-3-chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-t..."	"COc1ccc(cc1C)[C@@H]2[C@@H](Cl)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"791050"	"791050"	"(3R,4S)-4-(4-(ethylthio)phenyl)-3-hydroxy-1-(3,4,5-trime..."	"CCSc1ccc(cc1)[C@@H]2[C@@H](O)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	2	2	NA	""
"791052"	"791052"	"(3R,4S)-4-(4-ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxy..."	"CCOc1ccc(cc1)[C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c4cc(OC)c(OC)c(OC)c4"	0	NA	NA	1	1	NA	""
"791053"	"791053"	"(3R,4S)-3-amino-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimeth..."	"CCSc1ccc(cc1)[C@@H]2[C@@H](N)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"791055"	"791055"	"(E)-3-(3-amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-y..."	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccccc3)/c4cc(OC)c(OC)c(OC)c4)cc1N"	0	NA	NA	1	1	NA	""
"791059"	"791059"	"MGCD-265"	"COCCNCc1ccc(nc1)c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2"	0	"PK:MET,VEGFR"	"Clinical trial"	2	2	NA	""
"791068"	"791068"	""	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(C)c(OC)c(C)c2"	0	NA	NA	2	2	NA	""
"791077"	"791077"	""	"CC(=O)c1cc(C(=O)c2ccc3Nc4ccccc4Sc3c2)c5c(C)cccn15"	0	NA	NA	2	2	NA	""
"791093"	"791093"	""	"Cc1ccc(NC(=O)c2nc(oc2c3ccc(F)cc3)S(=O)C)cc1Nc4nccc(n4)c5cccnc5"	0	NA	NA	1	1	NA	""
"791095"	"791095"	""	"CN1C=Nc2ccc(Nc3cc(NC(=O)c4nc(oc4c5ccc(F)cc5)S(=O)(=O)C)ccc3C)cc2C1=O"	0	NA	NA	1	1	NA	""
"791097"	"791097"	""	"CN(C)CCSc1nc(C(=O)Nc2ccc(C)c(c2)C#Cc3cnc4cccnn34)c([nH]1)c5ccc(F)cc5"	0	NA	NA	1	1	NA	""
"791100"	"791100"	"2-propyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride"	"CCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	2	2	NA	""
"791101"	"791101"	"2-butyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride"	"CCCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5n4"	0	NA	NA	2	2	NA	""
"791102"	"791102"	"2-methyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethy..."	"Cc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	2	2	NA	""
"791103"	"791103"	"1-(naphthalen-2-ylmethyl)-2-propyl-3-(quinolin-2-ylmethy..."	"CCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"791106"	"791106"	"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1-(naphthalen-2-yl..."	"COCCOCCOCc1[n+](Cc2ccc3ccccc3n2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791107"	"791107"	"1,3-bis(naphthalen-2-ylmethyl)-2-propylbenzimidazolium b..."	"CCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791114"	"791114"	""	"CCOC(=O)c1c(C)nc2N(CCc3ccccc3)C(=O)Cc2c1N"	0	NA	NA	1	1	NA	""
"791128"	"791128"	""	"COc1ccc2C=C3CCCC4=Cc5ccc(OC)cc5OC34Oc2c1"	0	NA	NA	1	1	NA	""
"791131"	"791131"	""	"CC(C)C[C@@H](N)C(=O)OCCCC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(=C12)C"	0	NA	NA	2	2	NA	""
"791134"	"791134"	""	"CC1=C(CCCOC(=O)NCCCl)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1"	0	NA	NA	1	1	NA	""
"791135"	"791135"	"3-(Cyano-dimethyl-methyl)-5-fluoro-N-{2-fluoro-5-[3-(9H-..."	"CC(C)(C#N)c1cc(F)cc(c1)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	1	1	NA	""
"791136"	"791136"	"N-{2-Fluoro-5-[3-(9H-purin-6-yl)-pyridin-2-ylamino]-phen..."	"Fc1ccc(Nc2ncccc2c3ncnc4[nH]cnc34)cc1NC(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F"	0	NA	NA	1	1	NA	""
"791140"	"791140"	"(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-6-bromo-4-(triflu..."	"C[C@@]12CC\C=C(/CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]1O2)\C=N\c4c(N)cc(cc4Br)C(F)(F)F"	0	NA	NA	1	1	NA	""
"791142"	"791142"	"(1aR,7aS,10aS,10bS,E)-5-((E)-((3-amino-5-bromopyridin-2-..."	"C[C@@]12CC\C=C(/CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]1O2)\C=N\c4ncc(Br)cc4N"	0	NA	NA	1	1	NA	""
"791143"	"791143"	""	"C[C@@]12CC\C=C(\COC(=O)c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791144"	"791144"	""	"Cn1cc(C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c5ccccc15"	0	NA	NA	1	1	NA	""
"791145"	"791145"	""	"C[C@@]12CC\C=C(\COC(=O)\C=C\c3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791146"	"791146"	""	"C[C@@]12CC\C=C(\COC(=O)c3cccnc3N)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791147"	"791147"	""	"C[C@@]12CC\C=C(\COC(=O)c3oc4ccccc4c3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791151"	"791151"	""	"CC(=O)c1ccc(NC(=O)CSc2oc(nn2)c3cc(nc4ccccc34)c5ccc(C)cc5)cc1"	0	NA	NA	1	1	NA	""
"791152"	"791152"	""	"COc1ccc(cc1)c2cc(c3oc(SCC(=O)Nc4ccc(cc4)C(=O)C)nn3)c5ccccc5n2"	0	NA	NA	1	1	NA	""
"791156"	"791156"	""	"COc1ccc(\C=C\C(=O)c2ccc(NC(=O)CSc3nnc(c4ccc(OC)c(OC)c4)n3c5ccccc5)cc2)cc1"	0	NA	NA	1	1	NA	""
"791163"	"791163"	"RG-7602"	"CCN1CCC(CC1)Oc2c(ncc3[nH]c4ncccc4c23)C#N"	0	"PK:CHEK1"	"Clinical trial"	1	1	NA	"1200129481"
"791164"	"791164"	"Acalabrutinib"	"CC#CC(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25"	0	"PK:BTK"	"FDA approved"	2	2	NA	"1420477606"
"791172"	"791172"	"Mito-MB1-31"	"Oc1ccc(Cl)cc1C(=O)Nc2nc3ccc(cc3s2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"791202"	"791202"	"2-chloro-N-(4-methoxyphenyl)-N,5-dimethyl-5H-pyrrolo[3,2..."	"COc1ccc(cc1)N(C)c2nc(Cl)nc3ccn(C)c23"	0	NA	NA	1	1	NA	""
"791210"	"791210"	""	"COc1cc(NC(=O)c2cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	NA	NA	2	2	NA	""
"791211"	"791211"	""	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)C(=O)Nc4cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c4"	0	NA	NA	3	3	NA	""
"791226"	"791226"	"SAR-245409"	"CCN1C(=O)C(=Cc2c(C)nc(N)nc12)c3ccn[nH]3"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	"934493762"
"791227"	"791227"	"XL-147"	"COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c4cccc(NC(=O)C(C)(C)N)c4)c1"	0	"PK:PIK3"	"Clinical trial"	1	1	NA	""
"791228"	"791228"	""	"CC1(C)\C(=C\C=C\2/CCCC(=C2Cl)\C=C\C3=[N+](CCCCCC(=O)SCCCN(CCCOc4ccc(Cl)cc4Cl)CC#C)c5ccccc5C3(C)C)\N(CCCCCC(=O)O)c6ccccc16"	0	NA	NA	1	1	NA	"1647112137"
"791252"	"791252"	""	"Nc1ncnc2c1ccn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	1	1	NA	""
"791253"	"791253"	""	"Nc1ncnc2c1c(F)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	1	1	NA	""
"791254"	"791254"	""	"Nc1ncnc2c1c(Cl)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	NA	""
"791255"	"791255"	""	"Nc1ncnc2c1c(Br)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	NA	""
"791256"	"791256"	""	"Nc1ncnc2c1c(I)cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O"	0	NA	NA	2	2	NA	""
"791267"	"791267"	""	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NC(=O)C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	NA	""
"791268"	"791268"	""	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NC(=O)CCCCCC#C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	1	1	NA	""
"791275"	"791275"	"2-chloronaphtho[2',3':4,5]furo[3,2-c]quinoline-6,7,12(5H..."	"Clc1ccc2NC(=O)c3c(oc4C(=O)c5ccccc5C(=O)c34)c2c1"	0	NA	NA	1	1	NA	""
"791328"	"791328"	"ARQ-092"	"Nc1ncccc1c2nc3ccc(nc3n2c4ccc(cc4)C5(N)CCC5)c6ccccc6"	0	"PK:AKT"	"Clinical trial"	2	2	NA	"1313881707"
"791345"	"791345"	""	"Oc1ccc(Cl)cc1C(=O)Nc2cnc(cn2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"791346"	"791346"	"7,10-dihydroxy-12-(6-morpholinopyridin-3-yl)-12,13-dihyd..."	"Oc1ccc(O)c2C(=O)C3=C(Oc4ccccc4CN3c5ccc(nc5)N6CCOCC6)C(=O)c12"	0	NA	NA	2	2	NA	""
"791347"	"791347"	"7,10-dihydroxy-12-(6-((2-hydroxyethyl)(methyl)amino)pyri..."	"CN(CCO)c1ccc(cn1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	2	2	NA	""
"791348"	"791348"	"12-(6-(dimethylamino)pyridin-3-yl)-7,10-dihydroxy-12,13-..."	"CN(C)c1ccc(cn1)N2Cc3ccccc3OC4=C2C(=O)c5c(O)ccc(O)c5C4=O"	0	NA	NA	2	2	NA	""
"791349"	"791349"	"7,10-dihydroxy-12-(6-(4-methylpiperazin-1-yl)pyridin-3-y..."	"CN1CCN(CC1)c2ccc(cn2)N3Cc4ccccc4OC5=C3C(=O)c6c(O)ccc(O)c6C5=O"	0	NA	NA	2	2	NA	""
"791452"	"791452"	""	"CCCCN1CCCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@@H]3CC[C@H](CC3)C(=O)OC)C(C)C"	0	NA	NA	1	1	NA	""
"791456"	"791456"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"791458"	"791458"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccc2ccccc2c1)NC(=O)c3csc(n3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	1	1	NA	""
"791459"	"791459"	""	"COC(=O)CC[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"791460"	"791460"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C(F)(F)F)C(F)(F)F)OC(=O)C"	0	NA	NA	1	1	NA	""
"791461"	"791461"	"N-{4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pent-4-enyl}su..."	"C(=C(\CCCN1C(=O)CCC1=O)[C-]12C3=C4C5=C1[Fe+2]16782345[C-]2C1=C6C7=C82)(\c1ccc(cc1)O)c1ccc(cc1)O"	0	NA	NA	1	1	NA	""
"791465"	"791465"	""	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCCc4cc3c2N"	0	NA	NA	1	1	NA	""
"791468"	"791468"	""	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	NA	""
"791469"	"791469"	""	"Cc1c(Cl)cccc1NC(=O)c2sc3nc4CCCCCCc4cc3c2N"	0	NA	NA	1	1	NA	""
"791470"	"791470"	""	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4cccc5ccccc45"	0	NA	NA	1	1	NA	""
"791484"	"791484"	"2-(2-methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[d..."	"COCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791485"	"791485"	"2-heptyl-1,3-bis(naphthalen-2-ylmethyl)benzo[d]imidazoli..."	"CCCCCCCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791486"	"791486"	"2-(3-methoxy-3-oxopropyl)-1,3-bis(naphthalen-2-ylmethyl)..."	"COC(=O)CCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791488"	"791488"	"6-(methoxycarbonyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[..."	"COC(=O)c1ccc2c(c1)n(Cc3ccc4ccccc4c3)c[n+]2Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791489"	"791489"	"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(naphthalen..."	"COCCOCCOCc1[n+](Cc2ccc3ccccc3c2)c4ccccc4n1Cc5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"791492"	"791492"	"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(quinolin-2..."	"COCCOCCOCc1[n+](Cc2ccc3ccccc3n2)c4ccccc4n1Cc5ccc6ccccc6n5"	0	NA	NA	1	1	NA	""
"791495"	"791495"	"GDC-0339"	"Cn1ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4CC[C@@H](N)[C@H](F)CC4"	0	"PK:PIM1,PIM2,PIM3"	"Clinical trial"	2	2	NA	"1428569850"
"791496"	"791496"	"APR-246"	"COCC1(CO)N2CCC(CC2)C1=O"	0	"Apo"	"Clinical trial"	2	1	NA	"5291327"
"791511"	"791511"	""	"Cc1cccc(NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N)c1C"	0	NA	NA	1	1	NA	""
"791513"	"791513"	""	"Cc1c(Br)cccc1NC(=O)c2sc3nc4CCN(Cc5ccccc5)Cc4cc3c2N"	0	NA	NA	1	1	NA	""
"791526"	"791526"	"14,15-cyclopropano-anhydrovinblastine"	"CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)[C@@H]9C[C@@H]9CN%10CC[C@]67[C@H]8%10)C(=O)OC)C1"	0	NA	NA	1	1	NA	""
"791529"	"791529"	""	"CN1CCC(=CC1)c2cc(NC(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)cc(c2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"791538"	"791538"	""	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(OCCCC5CCCCN5)nc4)c1F"	0	NA	NA	1	1	NA	""
"791540"	"791540"	"2-[(4-fluorophenyl)sulfonyl]-N-[4-(cycloheptylsulfamoyl)..."	"Fc1ccc(cc1)S(=O)(=O)C(C(=O)Nc2ccc(cc2)S(=O)(=O)NC3CCCCCC3)c4ccccc4"	0	NA	NA	1	1	NA	""
"791547"	"791547"	"diethyl 2,2'-((2Z,2'Z)-3,3'-(ethane-1,2-diyl)bis(2-((4-c..."	"CCOC(=O)\C=C\1/S\C(=N/c2ccc(cc2)C#N)\N(CCN3\C(=N\c4ccc(cc4)C#N)\S\C(=C/C(=O)OCC)\C3=O)C1=O"	0	NA	NA	2	2	NA	""
"791561"	"791561"	""	"COc1ccc(cc1O)\C(=N/O)\c2cc(C)c(OC)c(C)c2"	0	NA	NA	1	1	NA	""
"791577"	"791577"	""	"Nc1ccccc1NC(=O)c2ccc(CN3CCC\C(=C/c4cccc(Cl)c4)\C3=O)cc2"	0	NA	NA	1	1	NA	""
"791579"	"791579"	""	"Cc1cc(Nc2nc(SCc3ccc(cc3)C(=O)Nc4ccc(F)cc4N)nn5cccc25)n[nH]1"	0	NA	NA	1	1	NA	""
"791580"	"791580"	""	"Nc1ccccc1NC(=O)c2ccc(CSc3nc(N4CCOCC4)c5cccn5n3)cc2"	0	NA	NA	1	1	NA	""
"791616"	"791616"	""	"COc1cc(\C=C\C(=O)c2ccc(NC(=O)CSc3nnc(c4ccc(Cl)cc4)n3CC=C)cc2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"791638"	"791638"	""	"CN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)c5ccn[nH]5"	0	NA	NA	1	1	NA	""
"791639"	"791639"	""	"CN(C)CCCN1C(=O)c2cc(ccc2C3=C1c4ccccc4C3=O)c5ccn[nH]5"	0	NA	NA	1	1	NA	""
"791648"	"791648"	"PF-2771"	"CC(C)Oc1ccc(cc1Cl)C(=O)N[C@H](CNC(=O)CN(C)C)Cc2ccc(cc2)c3cn(C)c(n3)C(=O)C"	0	"CENP"	"Clinical trial"	2	2	NA	""
"791682"	"791682"	"(Z)-1-(4-fluorophenyl)-2-((4-methylbenzyl)thio)-3- (4-ni..."	"Cc1ccc(CS\C(=C/c2ccc(cc2)[N+](=O)[O-])\C(=O)c3ccc(F)cc3)cc1"	0	NA	NA	1	1	NA	""
"791686"	"791686"	"(Z)-1-(4-chlorophenyl)-2-((4-fluorobenzyl)thio)-3- (4-ni..."	"[O-][N+](=O)c1ccc(\C=C(/SCc2ccc(F)cc2)\C(=O)c3ccc(Cl)cc3)cc1"	0	NA	NA	1	1	NA	""
"791687"	"791687"	"(Z,E)-2-((4-chlorobenzyl)thio)-1-(4-fluorophenyl)-3- (4-..."	"[O-][N+](=O)c1ccc(\C=C(/SCc2ccc(Cl)cc2)\C(=O)c3ccc(F)cc3)cc1"	0	NA	NA	2	2	NA	""
"791692"	"791692"	"1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-d..."	"Cc1cnc([nH]1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5c(F)cc(F)cc5F)cc4F"	0	NA	NA	1	1	NA	"1616428239"
"791765"	"791765"	""	"Nc1c(F)cc(cc1Br)c2nc3cc(F)ccc3[se]2"	0	NA	NA	2	2	NA	""
"791771"	"791771"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791772"	"791772"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCCCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791773"	"791773"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCCCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791774"	"791774"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791776"	"791776"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"791785"	"791785"	"Sapacitabine"	"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N"	0	"Ds"	"Clinical trial"	2	2	NA	"151823142"
"791789"	"791789"	""	"CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@@H](C[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4)OC(=O)[C@H](C)N(C)C(=O)CCS"	0	NA	NA	2	2	NA	""
"791792"	"791792"	""	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C"	0	NA	NA	2	2	NA	""
"791840"	"791840"	""	"COc1ccc2nc(cc(c3oc(SCC(=O)Nc4ccc(cc4)\C(=N/O)\C)nn3)c2c1)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"791856"	"791856"	"4-(triphenylphosphonio)butyl 3-[(dichloroacetyl)oxy]lup-..."	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"791858"	"791858"	"4-(triphenylphosphonio)butyl (17alpha,18alpha,19alpha)-3..."	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)OCCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	1	1	NA	""
"791860"	"791860"	"2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-hydro..."	"C[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OCCOCCOCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=C)C)C1(C)C"	0	NA	NA	2	2	NA	""
"791871"	"791871"	"3-Benzofurancarboxylic acid, 2-(3,4-dimethoxyphenyl)-2,3..."	"COC(=O)\C=C\c1cc(OC)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(OC)c(OC)c3"	0	NA	NA	1	1	NA	"165817312"
"791945"	"791945"	""	"COc1cc(cc(OC)c1OC)[C@H](C)c2ccc3ccccc3c2"	0	NA	NA	1	1	NA	""
"791946"	"791946"	""	"COc1ccc(cc1)C(C)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	1	1	NA	""
"791947"	"791947"	""	"COc1cc(cc(OC)c1OC)C(C)c2ccc3c(ccn3C)c2"	0	NA	NA	1	1	NA	""
"791966"	"791966"	"CFI-400945"	"COc1ccc2NC(=O)[C@@]3(C[C@H]3c4ccc5c(\C=C\c6ccc(CN7C[C@@H](C)O[C@@H](C)C7)cc6)n[nH]c5c4)c2c1"	0	"PK:PLK1"	"Clinical trial"	2	2	NA	"1338806737"
"791967"	"791967"	"TAK-659 (isomer 1)"	"Cn1cc(cn1)c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c4CNC(=O)c24"	0	"PK:SYK"	"Clinical trial"	2	2	NA	"1312691410"
"791968"	"791968"	"TAK-659 (isomer 1)"	"Cn1cc(cn1)c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c4CNC(=O)c24"	0	"PK:SYK"	"Clinical trial"	2	2	NA	"1312691330"
"792733"	"792733"	""	"Cn1cc(cn1)c2ccc3c(c2)ncn3c4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4"	0	NA	NA	2	2	NA	""
"792769"	"792769"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3nc(C)ccc13"	0	NA	NA	1	1	NA	""
"792770"	"792770"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)cc(OC)c2)n3nc(C)ccc13"	0	NA	NA	1	1	NA	""
"792784"	"792784"	""	"CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n3ccc(cc13)c4cc[n+](CC(=O)c5cc(OC)c(OC)c(OC)c5)cc4"	0	NA	NA	1	1	NA	""
"792786"	"792786"	""	"CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n3c1ccc4ccc5cccnc5c34"	0	NA	NA	1	1	NA	""
"792789"	"792789"	"(E)-2-Methyl-3-(phenyldiazenyl)quinoxaline;CS-5646"	"Cc1nc2ccccc2nc1N=Nc3ccccc3"	0	NA	NA	1	1	NA	""
"792790"	"792790"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCNS(=O)(=O)c5ccc(F)cc5)cc4"	0	NA	NA	1	1	NA	""
"792792"	"792792"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCCNC(=O)c5ccccc5)cc4"	0	NA	NA	1	1	NA	""
"792793"	"792793"	""	"Oc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4ccc(NC(=O)NCCNC(=O)c5ccc(F)cc5)cc4"	0	NA	NA	1	1	NA	""
"792796"	"792796"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)NCCNS(=O)(=O)c5ccc(Cl)cc5)c4"	0	NA	NA	1	1	NA	""
"792797"	"792797"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)NCCNC(=O)c5ccccc5)c4"	0	NA	NA	1	1	NA	""
"792798"	"792798"	""	"COc1cc(ccc1Cl)c2nn(cc2c3ccncc3)c4cccc(NC(=O)CCN5CCN(Cc6ccccc6)CC5)c4"	0	NA	NA	1	1	NA	""
"792810"	"792810"	""	"COc1cccc(Oc2nc(Nc3ccc(cc3)N4CCOCC4)ncc2NC(=O)Nc5cc(OC)cc(OC)c5)c1"	0	NA	NA	1	1	NA	""
"792813"	"792813"	""	"Fc1ccc(cc1)c2c(\C=C\C=C\C(=O)c3cccs3)c(nc4ccccc24)C5CC5"	0	NA	NA	1	1	NA	""
"792847"	"792847"	"INCB-047775"	"Cn1ncc(C#N)c1c2ccc3C(=O)N(Cc3c2)[C@H](CN)Cc4cccc(F)c4"	0	"PK:AKT"	"Clinical trial"	2	2	NA	"1430056544"
"792848"	"792848"	"olmutinib"	"CN1CCN(CC1)c2ccc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c5sccc5n3)cc2"	0	"PK:EGFR,BTK,JAK3"	"FDA approved"	1	1	NA	"1353550136"
"792850"	"792850"	""	"COc1ccc(cc1OC)C(=O)\C=C\c2ccc(OCc3ccc(Cl)cc3)cc2"	0	NA	NA	1	1	NA	""
"792852"	"792852"	""	"COc1ccc(cc1OC)C(=O)\C=C\c2ccc(OCc3cccc(c3)C(F)(F)F)c(OC)c2"	0	NA	NA	1	1	NA	""
"792853"	"792853"	""	"CCN(Cc1ccccc1)c2ccc(\C=C\3/COc4ccccc4C3=O)cc2"	0	NA	NA	1	1	NA	""
"792854"	"792854"	""	"CC(=O)\C=C\c1ccc(OCc2ccc(cc2)C(C)(C)C)cc1"	0	NA	NA	1	1	NA	""
"792898"	"792898"	"3-Deoxy-3-homo-3-azalup-20(29)-en-28-imidazolide-28-oic ..."	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCNC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)n6ccnc6"	0	NA	NA	1	1	NA	""
"792955"	"792955"	"GSK-2194069"	"O=C(C1CC1)N2CC[C@@H](CC3=NNC(=O)N3c4ccc(cc4)c5ccc6occc6c5)C2"	0	"FAS|FASN"	"Clinical trial"	2	2	NA	"1332331211"
"792956"	"792956"	"AZD-0156"	"CN(C)CCCOc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(C5CCOCC5)c4c3c2"	0	"PK:ATM"	"Clinical trial"	2	2	NA	"1821428356"
"792957"	"792957"	"4-(3-iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyp..."	"COc1ccc(cc1I)C2C(C(=O)N2c3cc(OC)c(OC)c(OC)c3)c4ccccc4"	0	NA	NA	1	1	NA	""
"792959"	"792959"	"(3R,4S)-3-fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-t..."	"COc1ccc(cc1F)[C@H]2[C@@H](F)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"792961"	"792961"	"3-bromo-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimethoxypheny..."	"CCSc1ccc(cc1)C2C(Br)C(=O)N2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"792970"	"792970"	"KPT-9274"	"Nc1ccc(\C=C\C(=O)NCc2oc3c(cc(cc3c2)c4ccc(cc4)C(=O)N5CCC(F)(F)CC5)c6ccc(F)cc6)cn1"	0	"PK:PAK4"	"Clinical trial"	2	2	NA	"1643913932"
"792971"	"792971"	"CC-223"	"CO[C@@H]1CC[C@H](CC1)N2C(=O)CNc3ncc(nc23)c4ccc(nc4)C(C)(C)O"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1228013306"
"792974"	"792974"	""	"C[C@@]12CC\C=C(\COC(=O)CCCc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"792975"	"792975"	""	"C[C@@]12CC\C=C(\COC(=O)\C=C\c3cccnc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"792987"	"792987"	"GDC-0084"	"CC1(C)OCCn2c1nc3c(nc(nc23)c4cnc(N)nc4)N5CCOCC5"	0	"PK:PIK3,MTOR"	"Clinical trial"	2	2	NA	"1382979443"
"792996"	"792996"	"ARQ-087"	"COCCNCCc1cccc(Nc2ncc3CC(c4ccccc4F)c5ccccc5c3n2)c1"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1234356694"
"793099"	"793099"	"(E)-6 Methoxy-3-(3-(2-Methoxyphenyl)-3-oxoprop-1-enyl)qu..."	"COc1ccc2NC(=O)C(=Cc2c1)\C=C\C(=O)c3ccccc3OC"	0	NA	NA	1	1	NA	""
"793103"	"793103"	"ABBV-075"	"CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4[nH]ccc34"	0	"BRD"	"Clinical trial"	2	2	NA	"1445993269"
"793122"	"793122"	""	"COc1ccc(OC)c(NCC(=O)n2nc(\C=C/c3ccc(O)c(OC)c3)cc2\C=C/c4ccc(O)c(OC)c4)c1"	0	NA	NA	1	1	NA	""
"793129"	"793129"	""	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(C)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	1	1	NA	""
"793130"	"793130"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C(C)C)OC(=O)C"	0	NA	NA	1	1	NA	""
"793131"	"793131"	""	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(C)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCN3C)C(C)C"	0	NA	NA	1	1	NA	""
"793132"	"793132"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	1	1	NA	""
"793136"	"793136"	""	"CCCC[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OCC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"793137"	"793137"	""	"CCCC[C@H](NC(=O)[C@H]1CCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)OCC)Cc3ccccc3)C(C)C"	0	NA	NA	1	1	NA	""
"793138"	"793138"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](CCC(C)C)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	1	1	NA	""
"793139"	"793139"	"2-butyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl..."	"CCCCc1[n+](Cc2ccc3ccccc3n2)ccn1Cc4ccc5ccccc5c4"	0	NA	NA	2	2	NA	""
"793140"	"793140"	"2-phenyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride"	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5n4)c3c6ccccc6"	0	NA	NA	1	1	NA	""
"793141"	"793141"	"1-(naphthalen-2-ylmethyl)-2-phenyl-3-(quinolin-2-ylmethy..."	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5c4)c3c6ccccc6"	0	NA	NA	2	2	NA	""
"793142"	"793142"	"1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl)imidazo..."	"C(c1ccc2ccccc2n1)[n+]3ccn(Cc4ccc5ccccc5c4)c3"	0	NA	NA	1	1	NA	""
"793144"	"793144"	""	"C[C@@H](NC(=O)C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)C[C@@H](NS(=O)(=O)C)C=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	NA	""
"793145"	"793145"	""	"CN[C@@H]1C[C@@]2(C)\C=C\C(=C/C=C/C(=O)O[C@@H]([C@H](C)[C@H](O)[C@@H](C)NC(=O)C)[C@H](C)\C=C\C(=C\[C@H]2C=C1)\C)\C"	0	NA	NA	2	2	NA	""
"793146"	"793146"	""	"COC(=O)N[C@@H]1C[C@@]2(C)\C=C\C(=C/C=C/C(=O)O[C@@H]([C@H](C)[C@H](O)[C@@H](C)NC(=O)C)[C@H](C)\C=C\C(=C\[C@H]2C=C1)\C)\C"	0	NA	NA	2	2	NA	""
"793147"	"793147"	""	"CC(C)C(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)\C=C\C=C(\C)/C=C/[C@]2(C)CCC=C[C@@H]2\C=C(/C)\C=C\[C@H]1C"	0	NA	NA	2	2	NA	""
"793148"	"793148"	"RX-5902"	"COc1cc(OC)cc(c1)N2CCN(CC2)C(=O)Nc3nc4cc(F)ccc4nc3OC"	0	""	"Clinical trial"	2	2	NA	"888478453"
"793149"	"793149"	"BAY-876"	"Cc1c(NC(=O)c2cc(nc3cc(F)ccc23)C(=O)N)c(nn1Cc4ccc(cc4)C#N)C(F)(F)F"	0	"SLC2A1"	"Clinical trial"	2	2	NA	"1799753846"
"793150"	"793150"	"ensartinib"	"C[C@@H](Oc1cc(nnc1N)C(=O)Nc2ccc(cc2)C(=O)N3C[C@@H](C)N[C@@H](C)C3)c4c(Cl)ccc(F)c4Cl"	0	"PK:ALK"	"Clinical trial"	1	1	NA	"1370651209"
"793151"	"793151"	"CC-115"	"CCN1C(=O)CNc2ncc(nc12)c3ccc(nc3C)c4ncn[nH]4"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1228013157"
"793176"	"793176"	""	"COc1ccc(\C=C\C(=C\C(=O)\C=C\c2ccc(OC)c(OC)c2OC)\OB(F)F)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"793309"	"793309"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"793311"	"793311"	""	"CN(C)C[C@H]1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4"	0	NA	NA	1	1	NA	""
"793316"	"793316"	""	"COc1ccc(NC(=O)COCCOCCNC[C@H]2[C@@H]3CC\C(=C/CC[C@@]4(C)O[C@H]4[C@H]3OC2=O)\COC(=O)OC\C\5=C\CC[C@@]6(C)O[C@H]6[C@H]7OC(=O)[C@@H](CN(C)C)[C@@H]7CC5)c(O)c1C(=O)N"	0	NA	NA	1	1	NA	""
"793323"	"793323"	"BGB-283"	"FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]3[C@@H]4Oc5ccc(OC6=C7CCC(=O)N=C7NC=C6)cc5[C@H]34"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	"1446090772"
"793324"	"793324"	"BAY-1125976"	"NC(=O)c1ccc2nc(c3ccc(cc3)C4(N)CCC4)c(c5ccccc5)n2n1"	0	"PK:AKT,AKT2"	"Clinical trial"	2	2	NA	"1402608029"
"793453"	"793453"	"NTD-148"	"COc1cc2CN(CCN3CCCC3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	2	NA	""
"793457"	"793457"	"NTD-185"	"COc1cc2C(=O)N(CCCn3ccnc3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	2	1	NA	""
"793460"	"793460"	"NTD-191"	"COc1cc2CN(CCN(C)C)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	NA	""
"793461"	"793461"	"NTD-192"	"COc1cc2CN(CCCn3ccnc3)c4c(ccc5cc6OCOc6cc45)c2cc1OC"	0	NA	NA	1	1	NA	""
"793589"	"793589"	""	"CCOC(=O)c1c(C)nc2N(Cc3ccc(F)cc3)C(=O)\C(=C/c4ccc(OC)cc4)\c2c1N"	0	NA	NA	2	1	NA	""
"793593"	"793593"	""	"COc1cccc(CCC2CCCN(C2)c3cc(C)nc(N)n3)c1"	0	NA	NA	2	1	NA	""
"793595"	"793595"	""	"Cc1oc(CCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1"	0	NA	NA	2	2	NA	""
"793639"	"793639"	""	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"793640"	"793640"	""	"COc1ccc2C(C(=C(N)Oc2c1)C#N)c3ccc(F)c(F)c3"	0	NA	NA	2	2	NA	""
"793641"	"793641"	""	"COc1ccc2C(C(=C(Oc2c1)N(C(=O)C)C(=O)C)C#N)c3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"793642"	"793642"	""	"CCOC(=O)C1=C(N)Oc2cc(OC)ccc2C1c3ccc(F)c(F)c3"	0	NA	NA	1	1	NA	""
"793647"	"793647"	""	"Cc1nccc2c3ccc(OCc4cn(nn4)c5ccc(Br)cc5)cc3n(CCCc6ccccc6)c12"	0	NA	NA	1	1	NA	""
"793677"	"793677"	"ASP-5878"	"COc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F"	0	"PK:FGFR"	"Clinical trial"	2	2	NA	"1453208666"
"793679"	"793679"	"CNDAC"	"NC1=NC(=O)N(C=C1)C2O[C@H](CO)[C@@H](O)[C@@H]2C#N"	0	""	"Clinical trial"	2	2	NA	"134665728"
"793693"	"793693"	""	"OC[C@H]1O[C@H]([C@H](O)[C@@]1(O)C#C)n2cc(Br)c3c(Cl)ccnc23"	0	NA	NA	2	2	NA	""
"793694"	"793694"	""	"Nc1ncnc2c1c(cn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(F)(F)F"	0	NA	NA	2	2	NA	""
"793695"	"793695"	""	"Nc1ncnc2c1c(cn2[C@@H]3O[C@H](CO)[C@](O)(C#C)[C@H]3O)C(F)(F)F"	0	NA	NA	2	2	NA	""
"793707"	"793707"	""	"CCc1cccc(C)c1NC(=O)c2sc3nc4CCCCCc4cc3c2N"	0	NA	NA	1	1	NA	""
"793724"	"793724"	"Gimatecan"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(\C=N\OC(C)(C)C)c5ccccc5nc34)C2=O"	0	NA	NA	2	2	NA	"292618327"
"793726"	"793726"	"CCT-245737"	"FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]3CNCCO3"	0	"PK:CHEK1"	"Clinical trial"	1	1	NA	"1489389185"
"793836"	"793836"	""	"COc1ccc(\C=C\C(=O)c2ccc(NC(=O)CSc3oc(nn3)c4cc(OC)c(OC)c(OC)c4)cc2)cc1"	0	NA	NA	1	1	NA	""
"793969"	"793969"	"ethyl 7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7..."	"CCOC(=O)c1noc2c1CCc3c2cn(Cc4ccc(OC)cc4)c3c5cc(OC)c(OC)c(OC)c5"	0	NA	NA	1	1	NA	""
"793973"	"793973"	"[7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihy..."	"COc1ccc(Cn2cc3c(CCc4c(CO)noc34)c2c5cc(OC)c(OC)c(OC)c5)cc1"	0	NA	NA	2	2	NA	""
"794093"	"794093"	""	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C2=O"	0	NA	NA	1	1	NA	""
"794094"	"794094"	""	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O1)C=CC3=O)C=CC2=O"	0	NA	NA	1	1	NA	""
"794095"	"794095"	""	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O1)C=C(Cl)C3=O)C=C(Cl)C2=O"	0	NA	NA	1	1	NA	""
"794097"	"794097"	""	"CCCCC[C@H]1C\C=C\2/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\3/[C@@H](C\C=C/CCCC(=O)O[C@@H](CCCCC)C\C=C\4/[C@@H](C\C=C/CCCC(=O)O1)C=CC4=O)C=CC3=O)C=CC2=O"	0	NA	NA	1	1	NA	""
"794109"	"794109"	"LGH-447"	"C[C@@H]1C[C@H](N)C[C@@H](C1)c2ccncc2NC(=O)c3ccc(F)c(n3)c4c(F)cccc4F"	0	"PK:PIM1"	"Clinical trial"	1	1	NA	"1820565692"
"794112"	"794112"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCCc3c[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794114"	"794114"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3cc4ccccc4[nH]3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794118"	"794118"	""	"COc1ccc(cc1)C2C(=C(N)Oc3c2sc4c(F)cccc34)C#N"	0	NA	NA	1	1	NA	""
"794120"	"794120"	""	"NC1=C(C#N)C(c2ccc(Cl)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	1	1	NA	""
"794171"	"794171"	""	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCOCC5)ccnc2c1"	0	NA	NA	1	1	NA	""
"794172"	"794172"	""	"Clc1ccc2c(NCCNc3nc(nc4ccccc34)N5CCCCC5)ccnc2c1"	0	NA	NA	1	1	NA	""
"794173"	"794173"	""	"CCN1CCN(CC1)c2nc(NCCNc3ccnc4cc(Cl)ccc34)c5ccccc5n2"	0	NA	NA	1	1	NA	""
"794182"	"794182"	""	"Clc1ccc2c(NCCCCNc3nc(nc4ccccc34)N5CCOCC5)ccnc2c1"	0	NA	NA	1	1	NA	""
"794184"	"794184"	""	"COc1ccc(cc1)c2cc(nc(n2)N3CCOCC3)c4ccc(Nc5ccnc6cc(Cl)ccc56)cc4"	0	NA	NA	1	1	NA	""
"794196"	"794196"	"5-acetyl-3-amino-6-methyl-N-(naphthalen-1-yl)thieno[2,3-..."	"CC(=O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4ccccc34"	0	NA	NA	1	1	NA	""
"794209"	"794209"	"2-N,N-Diethylamino-8-chloro-4-(4-chlorophenyl)-4H-1,3-di..."	"CCN(CC)[c+]1sc2C(Oc3ccc(Cl)cc3c2s1)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"794221"	"794221"	"6-ethyl-5-(3-(2-methyl-7-(2-methylpyridin-4-yl)benzo[d]o..."	"CCc1nc(N)nc(N)c1C#CC(C)c2cc(c3ccnc(C)c3)c4oc(C)nc4c2"	0	NA	NA	3	3	NA	""
"794222"	"794222"	"5-(3-(2-chloro-4-(pyridin-4-yl)phenyl)but-1-yn-1-yl)-6-e..."	"CCc1nc(N)nc(N)c1C#CC(C)c2ccc(cc2Cl)c3ccncc3"	0	NA	NA	2	2	NA	""
"794223"	"794223"	"(4-(3,5-dichlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)me..."	"CCOc1ccccc1C(=O)N2CCN(CC2)c3cc(Cl)cc(Cl)c3"	0	NA	NA	3	2	NA	""
"794224"	"794224"	"2-hydroxy-7-(4-(methylthio)phenyl)cyclohepta-2,4,6-trien..."	"CSc1ccc(cc1)C2=CC=CC=C(O)C2=O"	0	NA	NA	1	1	NA	""
"794225"	"794225"	"2-(4-(furan-2-yl)phenyl)-7-hydroxycyclohepta-2,4,6-trien..."	"OC1=CC=CC=C(C1=O)c2ccc(cc2)c3occc3"	0	NA	NA	1	1	NA	""
"794226"	"794226"	"2-(4-bromophenyl)-7-hydroxycyclohepta-2,4,6-trien-1-one"	"OC1=CC=CC=C(C1=O)c2ccc(Br)cc2"	0	NA	NA	1	1	NA	""
"794232"	"794232"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccccc3)cc2"	0	NA	NA	1	1	NA	""
"794233"	"794233"	""	"Fc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"794442"	"794442"	"PQR-620"	"Nc1cc(C(F)F)c(cn1)c2nc(nc(n2)N3[C@@H]4CC[C@H]3COC4)N5[C@@H]6CC[C@H]5COC6"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	""
"794443"	"794443"	"KPT-8602"	"NC(=O)\C(=C\n1cnc(n1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)\c3cncnc3"	0	"XPO1"	"Clinical trial"	2	2	NA	"1642300524"
"794455"	"794455"	"(E)-4-(pyridin-2-yldiazenyl)benzene-1,3-diol"	"Oc1ccc(\N=N\c2ccccn2)c(O)c1"	0	NA	NA	1	1	NA	"1141599"
"794456"	"794456"	"(E)-5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol"	"CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1"	0	NA	NA	2	2	NA	""
"794457"	"794457"	"(E)-2-((5-bromopyridin-2-yl)diazenyl)-5-(dimethylamino)p..."	"CN(C)c1ccc(\N=N\c2ccc(Br)cn2)c(O)c1"	0	NA	NA	2	2	NA	""
"794481"	"794481"	""	"CCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"794483"	"794483"	""	"CCCCCC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(OC)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"794499"	"794499"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1cc(cc(OC)c1OC)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	NA	""
"794500"	"794500"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)c3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794502"	"794502"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)c3ccccc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794504"	"794504"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794506"	"794506"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)c3ccc(cc3)C#N)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794507"	"794507"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)c3ccc(Cl)nc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"794521"	"794521"	"copper-7-glucose-3-taxol"	"CC(=O)O[C@@]29C[O+]([Cu]OCC1OC(O)C(O)C(O)C1O)[C@@H]2C[C@H](O[Cu]OCC3OC(O)C(O)C(O)C3O)[C@@]8(C)C(=O)C(OC(C)O[Cu]Cl)C%10=C(C)[C@@H](OC(O[Cu]Cl)[C@H](O[Cu]Cl)[C@H](c4ccccc4)N(C(=O)c5ccccc5)[Cu](Cl)OCC6OC(O)C(O)C(O)C6O)C[C@@](O[Cu]Cl)([C@@H](OC(=O)c7ccccc7)[C@@H]89)C%10(C)C"	0	NA	NA	2	2	NA	""
"794557"	"794557"	""	"CCCCCn1ncc(n1)c2c(O)c(O)cc3c(O)c(c(C)cc23)c4c(C)cc5c(c(O)c(O)cc5c4O)c6cnn(CCCCC)n6"	0	NA	NA	2	2	NA	""
"794584"	"794584"	""	"CN(CCN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H]1C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C[C@@]1(C)CO"	0	NA	NA	1	1	NA	""
"794589"	"794589"	"NTRC-0066-0"	"CCc1cccc(CC)c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34"	0	"PK:TTK"	"Clinical trial"	1	1	NA	"1817791733"
"794590"	"794590"	"BAY-1082439"	"COc1c(OC[C@H](O)CN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cccnc5C"	0	"PK:PIK3"	"Clinical trial"	2	2	NA	"1375469387"
"794596"	"794596"	""	"COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c6ccccc36)c2cc1OC"	0	NA	NA	2	2	NA	""
"794634"	"794634"	""	"CC(C)(C)OC(=O)N1CC(Cn2cc(c3c(Cl)ncnc23)C(F)(F)F)C1"	0	NA	NA	1	1	NA	""
"794636"	"794636"	""	"OCc1c(O)ccc2C(=O)C(=COc12)c3ccc4OCOc4c3"	0	NA	NA	1	1	NA	""
"794639"	"794639"	""	"CCn1cc(\C=C\2/Oc3cc(OCC#N)ccc3C2=O)c4cc(OC)ccc14"	0	NA	NA	2	2	NA	""
"794646"	"794646"	"AMG-51"	"COc1cc2c(Oc3ccc(cc3F)C4=CN=C(Nc5ccc(F)cc5)N(C)C4=O)ccnc2cc1OCCCN6CCOCC6"	0	"PK:MET"	"Clinical trial"	2	2	NA	"890019633"
"794655"	"794655"	"2-amino-4-(6-chloro-2-oxo-2H-chromen-4-yl)-4H-benzo[h]ch..."	"NC1=C(C#N)C(C2=CC(=O)Oc3ccc(Cl)cc23)c4ccc5ccccc5c4O1"	0	NA	NA	1	1	NA	""
"794658"	"794658"	"2-amino-4-(7-methyl-2-oxo-2H-chromen-4-yl)-4H-benzo[g]ch..."	"Cc1ccc2C(=CC(=O)Oc2c1)C3C(=C(N)Oc4cc5ccccc5cc34)C#N"	0	NA	NA	1	1	NA	""
"794671"	"794671"	"Piperlongumine"	"COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC"	0	NA	NA	1	1	NA	"20069094"
"794677"	"794677"	"N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-3-(triflu..."	"Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)c12"	0	NA	NA	1	1	NA	""
"794678"	"794678"	"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-((4-ethylpiper..."	"CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"794698"	"794698"	"3-Benzofurancarboxylic acid, 7-(acetyloxy)-2-[3,4-bis(ac..."	"COC(=O)\C=C\c1cc(OC(=O)C)c2OC(C(C(=O)OC)c2c1)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	NA	NA	2	2	NA	"1844061126"
"794717"	"794717"	""	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	NA	""
"794718"	"794718"	""	"COc1ccc(cc1OC(=O)CCl)C(=S)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	NA	""
"794719"	"794719"	""	"COc1ccc(cc1OC(=O)C(Cl)(Cl)Cl)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	NA	""
"794720"	"794720"	""	"COc1ccc(cc1OC(=O)CCl)C(=O)c2cc(OC)c(C)c(OC)c2"	0	NA	NA	2	2	NA	""
"794723"	"794723"	""	"COc1ccc(cc1OC(=O)C)C(=O)c2cc(OC)c(OC)c(OC)c2"	0	NA	NA	2	2	NA	""
"794843"	"794843"	""	"COc1cc(cc(OC)c1OC)C2CC(=NN2c3cc(Cl)cc(Cl)c3)c4ccc(Nc5nc(NCCO)nc(NCCO)n5)cc4"	0	NA	NA	1	1	NA	""
"794920"	"794920"	""	"Fc1ccc(CSC2=N\C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)\C(=O)N2)cc1"	0	NA	NA	1	1	NA	""
"794946"	"794946"	"(4S,4aS,5aR,12aS)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl..."	"CCN1CCC[C@H]1c2cc(O)c3C(=O)C4=C(O)[C@@]5(O)[C@@H](C[C@@H]4Cc3c2OC)[C@H](N)C(=C(C(=O)N)C5=O)O"	0	NA	NA	2	1	NA	"1575498586"
"794947"	"794947"	"(4S,4aS,5aR,12aS)-7-chloro-4-(dimethylamino)-3,10,12,12a..."	"CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(Cl)c(CN5CCc6ccccc6C5)cc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N"	0	NA	NA	1	1	NA	"1254342921"
"795014"	"795014"	""	"COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c(Cl)c3)ncnc2cc1OCCCN5CCN(C)CC5"	0	NA	NA	1	1	NA	""
"795015"	"795015"	""	"CN1C(=O)c2cc(Cl)nc3c(NC(=O)c4cccc(Cl)c4)c(Cl)c(NC(=O)c5cccc(Cl)c5)c1c23"	0	NA	NA	1	1	NA	""
"795055"	"795055"	"6-Fluoro-3-(3-fluorophenyl)isoquinolin-1(2H)-one"	"Fc1cccc(c1)C2=Cc3cc(F)ccc3C(=O)N2"	0	NA	NA	2	2	NA	""
"795067"	"795067"	"IPI-549"	"C[C@H](NC(=O)c1c(N)nn2cccnc12)C3=Cc4cccc(C#Cc5cnn(C)c5)c4C(=O)N3c6ccccc6"	0	""	"Clinical trial"	1	1	NA	"1693758518"
"795068"	"795068"	"(Z)-3-(4-p-tolylthiazol-2-ylimino)indolin-2-one"	"Cc1ccc(cc1)c2csc(\N=C\3/C(=O)Nc4ccccc34)n2"	0	NA	NA	1	1	NA	""
"795124"	"795124"	""	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc(Cl)c3C"	0	NA	NA	2	2	NA	""
"795134"	"795134"	""	"OC(=O)COc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"795135"	"795135"	"Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione"	"O=C1C(=O)c2c(nc3ncccn23)c4ccccc14"	0	NA	NA	2	2	NA	""
"795136"	"795136"	"9-(trifluoromethyl)naphtho[1',2':4,5]imidazo[1,2-a]pyrid..."	"FC(F)(F)c1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	NA	NA	2	1	NA	""
"795137"	"795137"	"3-amino-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-dione"	"Nc1ccc2c(c1)C(=O)C(=O)c3c2nc4ccccn34"	0	NA	NA	1	1	NA	""
"795140"	"795140"	"9-methoxy-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-..."	"COc1ccc2nc3c4ccccc4C(=O)C(=O)c3n2c1"	0	NA	NA	1	1	NA	""
"795142"	"795142"	"M2698"	"NC(=O)c1cccc2c(N[C@H](CN3CCC3)c4ccc(Cl)c(c4)C(F)(F)F)ncnc12"	0	"PK:AKT,AKT1,AKT2,AKT3"	"Clinical trial"	2	2	NA	"1379545955"
"795174"	"795174"	""	"Cc1nccc2c3ccc(OCc4cn(nn4)c5ccc(Cl)cc5)cc3n(CCCc6ccccc6)c12"	0	NA	NA	1	1	NA	""
"795178"	"795178"	""	"CCCCn1c2cc(OCc3cn(nn3)c4ccc(Cl)cc4)ccc2c5ccnc(C)c15"	0	NA	NA	1	1	NA	""
"795194"	"795194"	"3-(3-chlorophenyl)-6,7-dihydropyrrolo[3,4-g]indol-8(1H)-one"	"Clc1cccc(c1)c2c[nH]c3c4C(=O)NCc4ccc23"	0	NA	NA	2	2	NA	""
"795213"	"795213"	"2-((E)-2-((1H-indol-3-yl)methylene)hydrazinyl)-4-(4-fluo..."	"Fc1ccc(cc1)c2nc(N\N=C\c3c[nH]c4ccccc34)nc(N5CCOCC5)c2C#N"	0	NA	NA	1	1	NA	""
"795222"	"795222"	"2-methyl-6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]ind..."	"Cc1ccn2c3C(=O)c4ccccc4C(=O)c3c(C(=O)O)c2c1"	0	NA	NA	2	2	NA	""
"795241"	"795241"	""	"CCOC(=O)C1CCN(CC1)S(=O)(=O)\N=C/2\NC(=O)NC2=C(Cl)Cl"	0	NA	NA	1	1	NA	""
"795287"	"795287"	""	"COC(=O)c1nc(oc1S(=O)(=O)n2nc(C)cc2N)c3ccccc3"	0	NA	NA	1	1	NA	""
"795292"	"795292"	""	"COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c(O)c1C(=O)N"	0	NA	NA	1	1	NA	""
"795311"	"795311"	""	"CCCn1cc(\C=N/N=C\2/C(=O)Nc3ccc(C)cc23)c4ccccc14"	0	NA	NA	1	1	NA	""
"795315"	"795315"	""	"COc1cc(cc2O[C@H]3[C@@](C)(CC[C@@H](O)C3(C)C)Cc12)C(=O)Nc4cc(OC)c5ccn(C)c5c4"	0	NA	NA	1	1	NA	""
"795316"	"795316"	""	"COc1cc(NC(=O)c2cc(OC)c3ccn(C)c3c2)cc4O[C@H]5[C@@](C)(CC[C@@H](O)C5(C)C)Cc14"	0	NA	NA	1	1	NA	""
"795337"	"795337"	""	"COc1ccc2NC(=O)C3(C(=C(Nc4c3c(nn4c5ccccc5)c6ccccc6)c7ccccc7)C#N)c2c1"	0	NA	NA	1	1	NA	""
"795379"	"795379"	"8-(1-cyclohexyl-1H-benzo[d]imidazol-6-yl)-6-(4-methoxyph..."	"COc1ccc(cc1)c2cn3ccnc3c(n2)c4ccc5ncn(C6CCCCC6)c5c4"	0	NA	NA	1	1	NA	""
"795384"	"795384"	"serabelisib"	"Nc1oc2ccc(cc2n1)c3ccc4ncc(C(=O)N5CCOCC5)n4c3"	0	""	"Clinical trial"	1	1	NA	"1268454234"
"795432"	"795432"	"(E)-3-(4-methoxyphenyl)-1-(piperidin-1-yl)-2-(3,4,5-trim..."	"COc1ccc(\C=C(\C(=O)N2CCCCC2)/c3cc(OC)c(OC)c(OC)c3)cc1"	0	NA	NA	1	1	NA	""
"795433"	"795433"	"(E)-3-(3-amino-4-methoxyphenyl)-1-(pyrrolidin-1-yl)-2-(3..."	"COc1ccc(\C=C(\C(=O)N2CCCC2)/c3cc(OC)c(OC)c(OC)c3)cc1N"	0	NA	NA	1	1	NA	""
"795434"	"795434"	"(E)-3-(3-amino-4-methoxyphenyl)-1-(4-(p-tolyl)piperazin-..."	"COc1ccc(\C=C(\C(=O)N2CCN(CC2)c3ccc(C)cc3)/c4cc(OC)c(OC)c(OC)c4)cc1N"	0	NA	NA	2	2	NA	""
"795435"	"795435"	"(Z)-1-(4-nitrobenzyl)-3-(2-oxo-2-(4-(2-(piperidin-1-yl)e..."	"[O-][N+](=O)c1ccc(CN2C(=O)\C(=C/C(=O)c3ccc(OCCN4CCCCC4)cc3)\c5ccccc25)cc1"	0	NA	NA	1	1	NA	""
"795440"	"795440"	"N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5..."	"[2H]c1nc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc(c1[2H])c3cn(c4ccccc34)C([2H])([2H])[2H]"	0	NA	NA	1	1	NA	""
"795464"	"795464"	""	"Cc1cc2c(c(O)c(O)cc2c(O)c1c3c(C)cc4c(c(O)c(O)cc4c3O)c5nc6ccccc6[nH]5)c7nc8ccccc8[nH]7"	0	NA	NA	2	1	NA	""
"795489"	"795489"	"(E)-2-((3-ethyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-..."	"CCC1=C(C)c2ccc(OCC(=O)N\N=C/3\C(=O)Nc4ccccc34)c(C)c2OC1=O"	0	NA	NA	2	1	NA	""
"795502"	"795502"	"(S)-4-(((2-(1-((9H-purin-6-yl)amino)propyl)-4-oxo-3-phen..."	"CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(NCc5ccc(cc5)C(=O)NO)c4C(=O)N3c6ccccc6"	0	NA	NA	1	1	NA	""
"795666"	"795666"	"(((1,5-dihydroxy-2-oxopyrrolidin-3-yl)phosphoryl)bis(oxy..."	"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CC(O)N(O)C1=O"	0	NA	NA	1	1	NA	""
"795754"	"795754"	"4-(4-fluorophenyl)-2-(isobutylthio)-6-(phenylamino)pyrim..."	"CC(C)CSc1nc(Nc2ccccc2)c(C#N)c(n1)c3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"795777"	"795777"	""	"CN1\C(=N/N=C(/C)\c2ccccn2)\Nc3ccccc13"	0	NA	NA	2	2	NA	""
"795846"	"795846"	"(2.alpha.)-2-[3-(4-bromophenyl)prop-2-yn-1-yl]-3-oxolup-..."	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](CC#Cc6ccc(Br)cc6)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	NA	""
"795902"	"795902"	"(E)-3-(3-(2-Ethoxyphenyl)-3-oxoprop-1-enyl)quinoline-2(1..."	"CCOc1ccccc1C(=O)\C=C\C2=Cc3ccccc3NC2=O"	0	NA	NA	2	2	NA	""
"795903"	"795903"	"(E)-8-Methoxy-3-(3-(2-methoxyphenyl)-3-oxoprop-1-enyl)qu..."	"COc1cccc2C=C(\C=C\C(=O)c3ccccc3OC)C(=O)Nc12"	0	NA	NA	2	2	NA	""
"795935"	"795935"	"N-(Benzo[d]thiazol-2-yl)-2-(3-(4-fluorophenyl)-6-oxo-5,6..."	"Fc1ccc(cc1)C2=NN(CC(=O)Nc3nc4ccccc4s3)C(=O)CC2"	0	NA	NA	2	2	NA	""
"795957"	"795957"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"795959"	"795959"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@H](CC)NC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	2	2	NA	""
"795960"	"795960"	""	"CC[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"795961"	"795961"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H]3CCCCN3C)OC(=O)C"	0	NA	NA	2	2	NA	""
"795962"	"795962"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2cccc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"795963"	"795963"	""	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1cccc(n1)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	2	2	NA	""
"795964"	"795964"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"795965"	"795965"	""	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(s1)C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C"	0	NA	NA	2	2	NA	""
"796020"	"796020"	"3-amino-5-(1-hydroxyethyl)-6-methyl-N-(naphthalen-1-yl)t..."	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4ccccc34"	0	NA	NA	2	2	NA	""
"796023"	"796023"	"3-amino-N-(pyridin-2-yl)-6,7,8,9-tetrahydro-5H-cyclohept..."	"Nc1c(sc2nc3CCCCCc3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	NA	""
"796024"	"796024"	"3-amino-N-(pyridin-2-yl)-5,6,7,8,9,10-hexahydrocycloocta..."	"Nc1c(sc2nc3CCCCCCc3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	NA	""
"796026"	"796026"	"3-amino-5-oxo-N-(pyridin-2-yl)-5,6,7,8-tetrahydrothieno[..."	"Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	NA	""
"796054"	"796054"	"(((1-acetoxy-2-oxopiperidin-3-yl)phosphoryl)bis(oxy))bis..."	"CC(=O)ON1CCCC(C1=O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C"	0	NA	NA	2	2	NA	""
"796113"	"796113"	""	"CCCCN1C(=O)C(=Cc2ccccc12)\C=C\C(=O)\C=C\C3=Cc4ccccc4N(CCCC)C3=O"	0	NA	NA	1	1	NA	""
"796114"	"796114"	""	"COc1ccc2NC(=O)C(=Cc2c1)\C=C\C(=O)\C=C\c3ccc(O)c(OC)c3"	0	NA	NA	1	1	NA	""
"796173"	"796173"	""	"CC\C(=C(/c1ccc(OCCN2CCCC2)cc1)\c3ccc(OC(=O)NCc4ccccc4)cc3)\Cc5ccccc5"	0	NA	NA	1	1	NA	""
"796178"	"796178"	""	"CC\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)NCc4ccccc4)cc3)\Cc5ccccc5"	0	NA	NA	1	1	NA	""
"796216"	"796216"	"TETRAMETHYLRHODAMINE ETHYL ESTER PERCHLORATE"	"CCOC(=O)c1ccccc1c2c3ccc(cc3[o+]c4cc(ccc24)N(C)C)N(C)C"	0	NA	NA	2	2	NA	"115532520"
"796237"	"796237"	"6-flouro-2-Amino-3-cyano-4-(4-nitrophenyl)-4H-1-benzothi..."	"NC1=C(C#N)C(c2ccc(cc2)[N+](=O)[O-])c3sc4c(F)cccc4c3O1"	0	NA	NA	2	2	NA	""
"796238"	"796238"	""	"NC1=C(C#N)C(c2ccc(F)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	2	2	NA	""
"796302"	"796302"	"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-(morpholinomet..."	"Nc1n[nH]c2cccc(C#Cc3cccc(c3)C(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c12"	0	NA	NA	1	1	NA	""
"796304"	"796304"	"Delmarine"	"CC1(CCn2cnc3ncnc(N1O)c23)\C=C\c4ccc(cc4)c5ccccc5"	0	NA	NA	2	2	NA	"1807484883"
"796317"	"796317"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CSCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"796318"	"796318"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCSSCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"796319"	"796319"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"CC(C)Cc1ccc(cc1)C(C)C(=O)OC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	NA	""
"796342"	"796342"	"triplex metallohelix HS224"	"[Fe+2]12([n]3c(c4ccccn4)ccc(c3)COC[C@H](N=Cc3[n]([Fe+2]([n]4c(c5ccccn5)ccc(c4)COC[C@H](N=Cc4[n]1nn(Cc1ccccc1)c4)c1ccccc1)([n]1c(c4ccccn4)ccc(c1)COC[C@H]([N]\2=C\c1nnn(Cc2ccccc2)c1)c1ccccc1)([Cl-])[Cl-])nn(Cc1ccccc1)c3)c1ccccc1)([Cl-])[Cl-]"	0	NA	NA	1	1	NA	""
"796343"	"796343"	"triplex metallohelix HS142"	"[Fe+2]12(/[N](=C/c3ncc(OCc4nnn(Cc5ccccc5)c4)cc3)[C@@H](COCc3ccc(c4ccccn4)[n]([Fe+2]([n]4c(c5ccccn5)ccc(c4)COC[C@H](N=Cc4[n]1cc(OCc1nnn(Cc5ccccc5)c1)cc4)c1ccccc1)([n]1cc(OCc4nnn(Cc5ccccc5)c4)ccc1C=N[C@@H](COCc1ccc(c4ccccn4)[n]2c1)c1ccccc1)([Cl-])[Cl-])c3)c1ccccc1)([Cl-])[Cl-]"	0	NA	NA	1	1	NA	""
"796412"	"796412"	""	"COc1ccc(cc1)c2nc3sc(cn3n2)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"796430"	"796430"	""	"[Cl-][Pt+4]([Cl-])(N)(N)([O-]C(=O)CCCc1ccccc1)[O-]C(=O)CCCc2ccccc2"	0	NA	NA	2	2	NA	""
"796472"	"796472"	""	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(Cl)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"796476"	"796476"	""	"CCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccc(OC)cc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"797011"	"797011"	"7-(4-(N-(4-(4-chlorophenyl)thiazol-2-yl)-N-ethylcarbamoy..."	"CCN(C(=O)N1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4)c5nc(cs5)c6ccc(Cl)cc6"	0	NA	NA	2	1	NA	""
"797081"	"797081"	"8-((2-(4-bromophenyl)-2-(hydroxyimino)ethyl)thio)-1,3-di..."	"CN1C(=O)N(C)c2nc(SC\C(=N\O)\c3ccc(Br)cc3)[nH]c2C1=O"	0	NA	NA	1	1	NA	""
"797172"	"797172"	"A-1331852"	"Cc1c(cnn1CC23CC4CC(CC(C4)C2)C3)c5ccc(nc5C(=O)O)N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6"	0	""	"Clinical trial"	2	2	NA	"1430844806"
"797191"	"797191"	""	"CSc1nc2ccc(C)cc2cc1\C=C/3\C=C(NC3=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"797221"	"797221"	"methyl 2-((Z)-2-((4-fluorophenyl)imino)-3-(2-(5-hydroxy-..."	"COC(=O)\C=C/1\S\C(=N/c2ccc(F)cc2)\N(CCc3c[nH]c4ccc(O)cc34)C1=O"	0	NA	NA	1	1	NA	""
"797251"	"797251"	""	"C[C@]12CCC3[C@@H](C[C@@H]4SC(=N[C@@]45CC(=O)CC[C@]35C)Nc6ccccc6)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	""
"797349"	"797349"	""	"Clc1ccc2CCN(c2c1)c3ncnc4ccc(cc34)c5cnc6[nH]ccc6c5"	0	NA	NA	1	1	NA	""
"797352"	"797352"	"(E)-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl..."	"CCCNNC(=O)\C=C\c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1"	0	NA	NA	2	2	NA	""
"797353"	"797353"	""	"CCCNNC(=O)c1ccc(CNC(=O)\C=C\c2ccccc2)cc1"	0	NA	NA	2	2	NA	""
"797360"	"797360"	""	"Clc1ccc(\C=N\NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1"	0	NA	NA	1	1	NA	""
"797381"	"797381"	"[3-[5-(2-anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxo..."	"CNC(=O)Cc1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(Nc5ccccc5)n4"	0	NA	NA	2	2	NA	""
"797394"	"797394"	""	"NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N[C@H]4CCc5ccccc45)ncnc23"	0	NA	NA	2	2	NA	"905578770"
"797419"	"797419"	""	"Oc1ccc(F)cc1C(=O)Nc2ccc(Br)c(Cl)c2"	0	NA	NA	2	2	NA	""
"797420"	"797420"	""	"COc1ccc(C(=O)\C=C\c2cccc(c2)[N+](=O)[O-])c(OC)c1"	0	NA	NA	1	1	NA	""
"797462"	"797462"	""	"Fc1ccc(cc1)c2cc(nc3NC(=O)Sc23)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"797519"	"797519"	""	"Cc1nc(Nc2cccnc2)sc1C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"797533"	"797533"	"5-ethyl-5H-naphtho[2'',3'':4',5']furo[3',2':5,6]pyrano[3..."	"CCN1C(=O)C2=C(Oc3oc4C(=O)c5ccccc5C(=O)c4c3C2=O)c6ccccc16"	0	NA	NA	2	2	NA	""
"797537"	"797537"	"2,3-bis(6-bromo-1,4-dihydroxyisoquinolin-3-yl)naphthalen..."	"Oc1nc(C2=C(C(=O)c3ccccc3C2=O)c4nc(O)c5ccc(Br)cc5c4O)c(O)c6cc(Br)ccc16"	0	NA	NA	2	1	NA	""
"797552"	"797552"	"[3-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)-2,6-dimet..."	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)c2ccc(OC)c(OC(=O)CCl)c2OC"	0	NA	NA	1	1	NA	""
"797554"	"797554"	"(3-hydroxy-2,4-dimethoxy-phenyl)-(4-methoxy-3,5-dimethyl..."	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1O"	0	NA	NA	2	2	NA	""
"797555"	"797555"	"~{N}-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)ph..."	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1NC(=O)C"	0	NA	NA	2	2	NA	""
"797556"	"797556"	"ethyl [4-(3-hydroxy-2,4-dimethoxy-benzoyl)-2,6-dimethoxy..."	"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)c2ccc(OC)c(O)c2OC"	0	NA	NA	1	1	NA	""
"797557"	"797557"	"2,2-dichloro-~{N}-(2,2-dichloroacetyl)-~{N}-[2,6-dimetho..."	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl"	0	NA	NA	2	2	NA	""
"797558"	"797558"	"2-chloro-~{N}-(2-chloroacetyl)-~{N}-[2,6-dimethoxy-3-(4-..."	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)CCl)C(=O)CCl"	0	NA	NA	2	2	NA	""
"797559"	"797559"	"[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)phenyl]..."	"COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1OC(=O)C(Cl)Cl"	0	NA	NA	2	2	NA	""
"797583"	"797583"	"(E)-3-(4-bromophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methy..."	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccc(Br)cc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	2	1	NA	""
"797584"	"797584"	"(E)-3-(3-methoxyphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-met..."	"COc1cccc(\C=C\C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2)c1"	0	NA	NA	1	1	NA	""
"797585"	"797585"	"(E)-3-(2-fluorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-meth..."	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccccc3F)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797586"	"797586"	"2-(4-isobutylphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl..."	"CC(C)Cc1ccc(cc1)C(C)C(=O)NC\C\2=C\CC[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@@H]4CC2"	0	NA	NA	1	1	NA	""
"797587"	"797587"	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNC(=O)\C=C\c3ccccc3)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797623"	"797623"	"Decamidine"	"NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2)C(=N)N)cc1"	0	NA	NA	1	1	NA	""
"797650"	"797650"	"N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-phenyl-2,3-dih..."	"COc1cc(\C=N\NC(=O)c2cnn3CC(Nc23)c4ccccc4)ccc1OCc5ccccc5"	0	NA	NA	2	2	NA	""
"797653"	"797653"	"WT-161"	"ONC(=O)CCCCCCC(=O)N\N=C\c1ccc(cc1)N(c2ccccc2)c3ccccc3"	0	"HDAC"	"Clinical trial"	1	1	NA	"1206731578"
"797676"	"797676"	"[4-[(~{E})-2-phenyl-1-[4-[2-(1-piperidyl)ethoxy]phenyl]p..."	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccccc2)\c3ccc(OCCN4CCCCC4)cc3"	0	NA	NA	1	1	NA	""
"797694"	"797694"	"2-(4-bromophenyl)-6-chloro-~{N}-[4-(4-chlorophenyl)thiaz..."	"Clc1ccc(cc1)c2csc(NC(=O)c3cc(nc4ccc(Cl)cc34)c5ccc(Br)cc5)n2"	0	NA	NA	1	1	NA	""
"797698"	"797698"	"6-chloro-2-(4-chlorophenyl)-~{N}-[4-(2-chlorophenyl)thia..."	"Clc1ccc(cc1)c2cc(C(=O)Nc3nc(cs3)c4ccccc4Cl)c5cc(Cl)ccc5n2"	0	NA	NA	1	1	NA	""
"797715"	"797715"	"N-(4-chlorophenyl)-5-{[(2,5-dihydroxyphenyl)methyl]amino..."	"Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)Nc3ccc(Cl)cc3)c1"	0	NA	NA	1	1	NA	""
"797734"	"797734"	""	"[O-][N+](=O)c1ccc2[nH]cc(c3c4ccsc4cc5[nH]c6ccc(cc6c35)[N+](=O)[O-])c2c1"	0	NA	NA	2	2	NA	""
"797755"	"797755"	"(E)-2-(4-methylbenzamido)-N'-(phenyl(pyridin-2-yl)methyl..."	"Cc1ccc(cc1)C(=O)Nc2ccccc2C(=O)N\N=C(/c3ccccc3)\c4ccccn4"	0	NA	NA	2	2	NA	""
"797756"	"797756"	"(E)-2-(4-fluorobenzamido)-N'-(phenyl(pyridin-2-yl)methyl..."	"Fc1ccc(cc1)C(=O)Nc2ccccc2C(=O)N\N=C(/c3ccccc3)\c4ccccn4"	0	NA	NA	2	2	NA	""
"797764"	"797764"	"(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(thiop..."	"CC(C)(C)c1cc(\C=N\NC(=O)c2ccccc2NC(=O)c3cccs3)c(O)c(c1)C(C)(C)C"	0	NA	NA	1	1	NA	""
"797769"	"797769"	"ABC-1183"	"Cc1ccc(Nc2nc(N)c(s2)C(=O)c3ccc(cc3)C#N)cc1"	0	""	"Clinical trial"	2	2	NA	"1042735181"
"797770"	"797770"	"CEP-40783"	"COc1cc2nccc(Oc3ccc(NC(=O)C4=CN(C(C)C)C(=O)N(C4=O)c5ccc(F)cc5)cc3F)c2cc1OC"	0	""	"Clinical trial"	2	2	NA	"1437321248"
"797771"	"797771"	"ulixertinib"	"CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[C@H](CO)c3cccc(Cl)c3"	0	"PK:ERK"	"Clinical trial"	1	1	NA	"1956366101"
"797772"	"797772"	"Selonsertib"	"CC(C)n1cnnc1c2cccc(NC(=O)c3cc(c(C)cc3F)n4cnc(c4)C5CC5)n2"	0	"PK:MAP3K5"	"Clinical trial"	1	1	NA	"1448428043"
"797878"	"797878"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(F)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797879"	"797879"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(Br)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797880"	"797880"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797881"	"797881"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCCc3c[nH]c4ccc(Cl)cc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"797882"	"797882"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2[nH]cc(CCNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	1	1	NA	""
"797898"	"797898"	"(E)-3',6-dimethoxy-N-(4-(4-((1-methylpiperidin-4-yl)oxy)..."	"COc1cccc(c1)c2cc(ccc2OC)C(=O)Nc3ccc(\C=C\c4ccc(OC5CCN(C)CC5)cc4)cc3"	0	NA	NA	1	1	NA	""
"797904"	"797904"	"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(morpholinomet..."	"Nc1n[nH]c2cccc(C#Cc3cccc(c3)C(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c12"	0	NA	NA	1	1	NA	""
"797905"	"797905"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)(C)CC)OC(=O)C"	0	NA	NA	2	1	NA	""
"797906"	"797906"	""	"CCC(C)(C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)O)Cc3ccccc3)C(C)C"	0	NA	NA	2	2	NA	""
"797907"	"797907"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@H](O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"797908"	"797908"	"KCN-Tb109"	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@H](O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"797909"	"797909"	""	"COC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2C(C)C)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CC(=O)CCN3C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"797910"	"797910"	""	"COC(=O)[C@H](C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C)NC(=O)OCc4ccccc4"	0	NA	NA	2	2	NA	""
"797911"	"797911"	""	"COC(=O)[C@@H](C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3CCCCN3C)C(C)C)OC(=O)C)NC(=O)OCc4ccccc4"	0	NA	NA	2	2	NA	""
"797912"	"797912"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2csc(n2)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](CCN3C)O[Si](C)(C)C(C)(C)C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"797913"	"797913"	""	"CCOC(=O)[C@@H](C)C[C@H](Cc1ccccc1)NC(=O)c2nc(sc2CCOCc3ccccc3)[C@@H](C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C)OC(=O)C"	0	NA	NA	2	2	NA	""
"797914"	"797914"	""	"CC(C)[C@@H](C[C@@H](OC(=O)C)c1nc(C(=O)N[C@H](C[C@H](C)C(=O)O)Cc2ccccc2)c(CCOCc3ccccc3)s1)N(C)C(=O)[C@@H](NC(=O)[C@H]4CCCCN4C)C(C)C"	0	NA	NA	2	2	NA	""
"797926"	"797926"	""	"COc1cc2C(=O)N(CCN(C)C)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	NA	""
"797928"	"797928"	""	"COc1cc2C(=O)N(CCN)c3c(ccc4cc5OCOc5cc34)c2cc1OC"	0	NA	NA	2	2	NA	""
"797929"	"797929"	""	"CNCCN1C(=O)c2cc(OC)c(OC)cc2c3ccc4cc5OCOc5cc4c13"	0	NA	NA	2	2	NA	""
"797930"	"797930"	""	"CCN(CC)CCN1C(=O)c2cc(OC)c(OC)cc2c3ccc4cc5OCOc5cc4c13"	0	NA	NA	2	2	NA	""
"797932"	"797932"	"PLX-8394"	"F[C@@H]1CCN(C1)S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(cc34)c5cnc(nc5)C6CC6)c2F"	0	"PK:BRAF"	"Clinical trial"	2	2	NA	"1393466879"
"797934"	"797934"	"Plinabulin"	"CC(C)(C)c1[nH]cnc1\C=C\2/NC(=O)\C(=C\c3ccccc3)\NC2=O"	0	""	"Clinical trial"	3	2	NA	"714272272"
"797937"	"797937"	"Sulfatinib"	"CN(C)CCNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1"	0	"PK:YK,FGFR,KDR"	"FDA approved"	1	1	NA	"1308672743"
"797938"	"797938"	"AZD-5153"	"COc1nnc2ccc(nn12)N3CCC(CC3)c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4"	0	""	"Clinical trial"	2	2	NA	"1869912402"
"797944"	"797944"	""	"C1[C@H]2C[C@H]3[C@@]4([C@@H]1C[C@@H](C2)C3)OO[C@]1(O4)CC[C@@H](CC1)C(=O)NCCC[NH2+]CCCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[C@@]2(OO[C@]3([C@H]4C[C@H]5C[C@@H]3C[C@H](C5)C4)O2)CC1"	0	NA	NA	1	1	NA	""
"797954"	"797954"	""	"Clc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"797955"	"797955"	""	"Cc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"797957"	"797957"	""	"FC(F)(F)c1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"797958"	"797958"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(F)cc3)cc2"	0	NA	NA	1	1	NA	""
"797959"	"797959"	""	"CCn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(F)cc3)cc2"	0	NA	NA	1	1	NA	""
"797961"	"797961"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(Cl)cc3)cc2"	0	NA	NA	1	1	NA	""
"797971"	"797971"	""	"C[C@]12CC[C@H]3[C@@H](C[C@@H]4SC(=N[C@@]45CC(O)CC[C@]35C)Nc6ccccc6)[C@@H]1CCC2O"	0	NA	NA	1	1	NA	""
"798013"	"798013"	""	"COC(=O)C1=C(C2OC1(C=C2)C(Cc3ccccc3)Nc4ccccc4)C(=O)ON"	0	NA	NA	1	1	NA	""
"798060"	"798060"	"[4-[({Z})-1-[4-[3-(dimethylamino)propoxy]phenyl]-3-(4-me..."	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(\C)/Cc2ccc(OC)cc2)\c3ccc(OCCCN(C)C)cc3"	0	NA	NA	1	1	NA	""
"798069"	"798069"	"[4-[({Z})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-meth..."	"CCN(CC)CCOc1ccc(cc1)\C(=C(/C)\Cc2ccc(OC)cc2)\c3ccc(OC(=O)NCc4ccccc4)cc3"	0	NA	NA	1	1	NA	""
"798076"	"798076"	"4-[({E})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-metho..."	"CCN(CC)CCOc1ccc(cc1)\C(=C(/C)\Cc2ccc(OC)cc2)\c3ccc(O)cc3"	0	NA	NA	1	1	NA	""
"798089"	"798089"	"3-acetyl-5-(2-aminophenyl)-1-(benzo[d][1,3]dioxol-5-yl)-..."	"CC(=O)c1cc(c2ccccc2N)n(c1C)c3ccc4OCOc4c3"	0	NA	NA	2	2	NA	""
"798108"	"798108"	"1-(3,5-dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-mor..."	"COc1ccc(Oc2nc(Nc3ccc(cc3)N4CCOCC4)ncc2NC(=O)Nc5cc(OC)cc(OC)c5)cc1"	0	NA	NA	1	1	NA	""
"798138"	"798138"	"4-bromo-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)phenyl)..."	"COc1cc2OC(CC(=O)c2c(OC)c1OC)c3cccc(NC(=O)c4ccc(Br)cc4)c3"	0	NA	NA	1	1	NA	""
"798179"	"798179"	"4-methoxy-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)pheny..."	"COc1ccc(cc1)C(=O)Nc2cccc(c2)C3CC(=O)c4c(O3)cc(OC)c(OC)c4OC"	0	NA	NA	1	1	NA	""
"798183"	"798183"	"N,N,N-trimethyl-2-(2-(2-(octadecyloxy)phenyl)acetamido)e..."	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)NCC[N+](C)(C)C"	0	NA	NA	1	1	NA	""
"798200"	"798200"	"TP-0903"	"CN(C)S(=O)(=O)c1ccccc1Nc2nc(Nc3ccc(CN4CCN(C)CC4)cc3)ncc2Cl"	0	"PK:AXL"	"Clinical trial"	2	2	NA	"1341200450"
"798260"	"798260"	""	"FB(F)O\C(=C/C(=O)\C=C\c1ccc2[nH]cc(SC#N)c2c1)\C=C\c3ccc4[nH]cc(SC#N)c4c3"	0	NA	NA	2	2	NA	""
"798261"	"798261"	""	"O\C(=C/C(=O)\C=C\c1ccc2[nH]cc(SC#N)c2c1)\C=C\c3ccc4[nH]cc(SC#N)c4c3"	0	NA	NA	1	1	NA	""
"798262"	"798262"	""	"FB(F)O\C(=C/C(=O)\C=C\c1cccc2[nH]cc(SC#N)c12)\C=C\c3cccc4[nH]cc(SC#N)c34"	0	NA	NA	2	2	NA	""
"798263"	"798263"	""	"O\C(=C/C(=O)\C=C\c1cccc2[nH]cc(SC#N)c12)\C=C\c3cccc4[nH]cc(SC#N)c34"	0	NA	NA	2	2	NA	""
"798269"	"798269"	""	"FB(F)O\C(=C/C(=O)\C=C\c1ccc2[nH]ccc2c1)\C=C\c3ccc4[nH]ccc4c3"	0	NA	NA	1	1	NA	""
"798303"	"798303"	"BPTES"	"O=C(Cc1ccccc1)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccccc4)s3)s2"	0	"GLS"	"Clinical trial"	1	1	NA	"314045391"
"798304"	"798304"	"EC-330"	"C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C#C)c5ccc(cc5)C6CC6"	0	"MDM2"	"Clinical trial"	3	3	NA	"2016795778"
"798517"	"798517"	"SAR-20347"	"NC(=O)c1nc(oc1Nc2ccc(cc2)C(=O)N3CCOCC3)c4c(F)cccc4Cl"	0	"PK:TYK2"	"Clinical trial"	1	1	NA	"1450881556"
"798522"	"798522"	"5-chloro-N-(4-methoxyphenyl)-N,1-dimethyl-1H-pyrazolo[4,..."	"COc1ccc(cc1)N(C)c2nc(Cl)nc3cnn(C)c23"	0	NA	NA	2	2	NA	""
"798524"	"798524"	"5-(2,5-dihydroxybenzylamino)-N-butyl-2-hydroxybenzamide"	"CCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"	0	NA	NA	1	1	NA	""
"798525"	"798525"	"5-[(2,5-dihydroxyphenyl)methylamino]-{N}-hexyl-2-hydroxy..."	"CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O"	0	NA	NA	1	1	NA	""
"798637"	"798637"	""	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)C(=O)Nc4cc(O)c(CC=C(C)C)c(O)c4"	0	NA	NA	1	1	NA	""
"798638"	"798638"	""	"COc1cc(NC(=O)c2cc(O)c(CC=C(C)C)c(O)c2)cc3C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)Oc13"	0	NA	NA	1	1	NA	""
"798680"	"798680"	"(E)-2-benzamido-N'-(phenyl(pyridin-2-yl)methylene)benzoh..."	"O=C(Nc1ccccc1C(=O)N\N=C(/c2ccccc2)\c3ccccn3)c4ccccc4"	0	NA	NA	2	2	NA	""
"798698"	"798698"	""	"C[C@@H](N)C(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2c3ccc(F)cc3)c1)c4ccc5OCCOc5c4"	0	NA	NA	1	1	NA	""
"798705"	"798705"	""	"C[C@]12CC[C@H]3[C@@H](C[C@@H]4N=C(S[C@@]45C[C@H](O)CC[C@]35C)c6ccc(O)cc6)[C@@H]1CC[C@@H]2O"	0	NA	NA	1	1	NA	""
"798709"	"798709"	""	"CCCCNC(=O)Oc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"798710"	"798710"	""	"Oc1ccc2C(=O)c3sc4C(=O)c5ccccc5C(=O)c4c3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"798752"	"798752"	""	"CCS\C(=C(/C#N)\C(=O)Nc1ccc(OC)cc1)\Nc2ccccc2"	0	NA	NA	1	1	NA	""
"798753"	"798753"	""	"CCS\C(=C(/C#N)\C(=O)N\N=C\c1ccc(Cl)cc1Cl)\Nc2ccccc2"	0	NA	NA	1	1	NA	""
"798758"	"798758"	"ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)H-pyraz..."	"CCOC(=O)c1c(N)n2nc(N)c(C#N)c2c(C#N)c1c3ccc(OC)cc3"	0	NA	NA	1	1	NA	""
"798795"	"798795"	""	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)Cc4ccccc4)cc3)\c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"798799"	"798799"	"GS-9901"	"Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)C3=Nc4c(F)ccc(Cl)c4C(=O)N3c5cccnc5)n1"	0	""	"Clinical trial"	1	1	NA	"1640247875"
"798823"	"798823"	"6-(N-Methyl-2-aminoethoxy)-11-(3,4,5-trimethoxyphenyl)py..."	"CNCCOc1nc2c3cnccc3cc(c4cc(OC)c(OC)c(OC)c4)c2c5ccncc15"	0	NA	NA	2	2	NA	""
"798846"	"798846"	"S-63845"	"CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(sc4ncnc(O[C@H](Cc5ccccc5OCc6ccnn6CC(F)(F)F)C(=O)O)c34)c7oc(F)cc7)CC1"	0	""	"Clinical trial"	3	3	NA	"1799633274"
"798862"	"798862"	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNC(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"798863"	"798863"	"N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a..."	"C[C@@]12CC\C=C(\CNS(=O)(=O)c3cccc4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"798973"	"798973"	"(E)-2-((4-fluorobenzyl)sulfinyl)-1-(4-fluorophenyl)-3-(4..."	"[O-][N+](=O)c1ccc(\C=C(/C(=O)c2ccc(F)cc2)\S(=O)Cc3ccc(F)cc3)cc1"	0	NA	NA	1	1	NA	""
"798976"	"798976"	"(E)-2-((4-fluorobenzyl)sulfinyl)-3-(4-nitrophenyl)-1-(p-..."	"Cc1ccc(cc1)C(=O)\C(=C/c2ccc(cc2)[N+](=O)[O-])\S(=O)Cc3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"798978"	"798978"	"(Z)-2-((4-chlorobenzyl)thio)-3-(4-nitrophenyl)- 1-(p-tol..."	"Cc1ccc(cc1)C(=O)\C(=C\c2ccc(cc2)[N+](=O)[O-])\SCc3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"799156"	"799156"	""	"CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(cc2)S(=O)(=O)C)c(O)c1"	0	NA	NA	2	2	NA	""
"799191"	"799191"	""	"COc1cccc(c1)\C(=N\NC(=O)CSC2=Nc3ccccc3C(=O)N2CCc4ccc(cc4)S(=O)(=O)N)\C"	0	NA	NA	1	1	NA	""
"799248"	"799248"	""	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)C"	0	NA	NA	1	1	NA	""
"799249"	"799249"	""	"CC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC5OCC(O)C(O)C5NC(=O)C"	0	NA	NA	1	1	NA	""
"799250"	"799250"	""	"CC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC5OCC(O)C(O)C5NS(=O)(=O)C"	0	NA	NA	1	1	NA	""
"799251"	"799251"	""	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)C(C)C"	0	NA	NA	1	1	NA	""
"799252"	"799252"	""	"COC(=O)OC1C(O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC6OCC(O)C(O)C6OC(=O)c7ccc(OC)cc7"	0	NA	NA	1	1	NA	""
"799253"	"799253"	""	"COc1ccc(cc1)C(=O)OC2C(O)C(O)COC2OC3C(O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)C3OC(=O)N"	0	NA	NA	1	1	NA	""
"799254"	"799254"	""	"CNC(=O)OC1C(O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H](C)C(=O)CCC(C)C)OCC(O)C1OC6OCC(O)C(O)C6OC(=O)c7ccc(OC)cc7"	0	NA	NA	1	1	NA	""
"799255"	"799255"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc2[nH]cc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)c2c1"	0	NA	NA	1	1	NA	""
"799258"	"799258"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3n[nH]c4ccccc34)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"799259"	"799259"	"(S)-methyl 3-(1H-indol-3-yl)-2-(((((1aR,7aS,10aS,10bS,E)..."	"COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3"	0	NA	NA	1	1	NA	""
"799260"	"799260"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCl)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"799299"	"799299"	"2-Amino-7-methoxy-4,10-dimethyl-1H-benzofuro[2,3-f]isoin..."	"COc1ccc2c(oc3c(C)c4C(=O)N(N)C(=O)c4c(C)c23)c1"	0	NA	NA	1	1	NA	""
"799315"	"799315"	"[(Bis{3-[(tricyclo[3.3.1.13,7]decan-1-ylamino)methyl]ben..."	"COc1cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)NNC(=S)N(Cc4cccc(C[N+](Cc5cccc(CNC67CC8CC(CC(C8)C6)C7)c5)(Cc9cccc(CNC%10%11CC%12CC(CC(C%12)C%10)C%11)c9)Cc%13cccc(CN(C(=S)NNC%14=CC=C%15C(=CC%14=O)[C@H](CCc%16cc(OC)c(OC)c(OC)c%15%16)NC(=O)C)C%17%18CC%19CC(CC(C%19)C%17)C%18)c%13)c4)C%20%21CC%22CC(CC(C%22)C%20)C%21"	0	NA	NA	1	1	NA	""
"799318"	"799318"	"zanubrutinib"	"NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1c4ccc(Oc5ccccc5)cc4"	0	"PK:BTK"	"FDA approved"	1	1	NA	"1633350067"
"799323"	"799323"	"AC-480"	"Cc1c(NC(=O)OC[C@@H]2COCCN2)cn3ncnc(Nc4ccc5c(cnn5Cc6cccc(F)c6)c4)c13"	0	NA	NA	1	1	NA	""
"799324"	"799324"	"ACTB-1003"	"COCc1c(CN2CCOCC2)n3ncnc(N)c3c1c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)c(F)c4"	0	NA	NA	1	1	NA	""
"799325"	"799325"	"AEE-788"	"CCN1CCN(Cc2ccc(cc2)c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)CC1"	0	NA	NA	1	1	NA	""
"799326"	"799326"	"AEW-541"	"Nc1ncnc2c1c(cn2[C@@H]3C[C@H](CN4CCC4)C3)c5cccc(OCc6ccccc6)c5"	0	NA	NA	1	1	NA	""
"799327"	"799327"	"Afatinib"	"CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4"	0	NA	NA	2	2	NA	""
"799328"	"799328"	"Alectinib"	"CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6"	0	NA	NA	1	1	NA	""
"799330"	"799330"	"Alvocidib"	"CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	NA	NA	2	2	NA	""
"799334"	"799334"	"Apitolisib"	"C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1"	0	NA	NA	2	2	NA	""
"799335"	"799335"	"ARRY-380"	"Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc5ccn6ncnc6c5"	0	NA	NA	1	1	NA	""
"799337"	"799337"	"AT-13148"	"NC[C@@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3cn[nH]c3"	0	NA	NA	1	1	NA	""
"799338"	"799338"	"AT-7519"	"Clc1cccc(Cl)c1C(=O)Nc2cn[nH]c2C(=O)NC3CCNCC3"	0	NA	NA	2	2	NA	""
"799339"	"799339"	"AT-9283"	"O=C(NC1CC1)NC2=CNN/C/2=C/3\N=C4C=CC(=CC4=N3)CN5CCOCC5"	0	NA	NA	1	1	NA	""
"799340"	"799340"	"AV-412"	"CN1CCN(CC1)C(C)(C)C#Cc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C"	0	NA	NA	2	2	NA	""
"799341"	"799341"	"Axitinib"	"CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2"	0	NA	NA	1	1	NA	""
"799342"	"799342"	"AXL-1717"	"COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24"	0	NA	NA	2	1	NA	""
"799345"	"799345"	"AZD-2014"	"CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	2	2	NA	""
"799346"	"799346"	"AZD-4547"	"COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N4C[C@@H](C)N[C@@H](C)C4)n[nH]2)cc(OC)c1"	0	NA	NA	1	1	NA	""
"799347"	"799347"	"AZD-5363"	"NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCO)c4ccc(Cl)cc4"	0	NA	NA	2	2	NA	""
"799348"	"799348"	"AZD-5438"	"CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)C)n2"	0	NA	NA	2	2	NA	""
"799349"	"799349"	"AZD-6482"	"C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C"	0	NA	NA	1	1	NA	""
"799350"	"799350"	"AZD-7762"	"NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3"	0	NA	NA	2	2	NA	""
"799351"	"799351"	"AZD-8055"	"COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C"	0	NA	NA	2	1	NA	""
"799353"	"799353"	"AZD-8330"	"CN1C(=O)C(=CC(=C1Nc2ccc(I)cc2F)C(=O)NOCCO)C"	0	NA	NA	2	2	NA	""
"799354"	"799354"	"Bafetinib"	"CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cncnc5)c3)C1"	0	NA	NA	1	1	NA	""
"799356"	"799356"	"Barasertib_HQPA"	"CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1"	0	NA	NA	2	2	NA	""
"799358"	"799358"	"BGT-226"	"COc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2"	0	NA	NA	2	2	NA	""
"799359"	"799359"	"BI-2536"	"CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O"	0	NA	NA	2	2	NA	""
"799360"	"799360"	"BI-847325"	"CCNC(=O)C#Cc1ccc2\C(=C(\Nc3ccc(CN(C)C)cc3)/c4ccccc4)\C(=O)Nc2c1"	0	NA	NA	2	2	NA	""
"799361"	"799361"	"Binimetinib"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12)C(=O)NOCCO"	0	NA	NA	2	2	NA	""
"799362"	"799362"	"BMS-387032"	"CC(C)(C)c1oc(CSc2cnc(NC(=O)C3CCNCC3)s2)nc1"	0	NA	NA	2	2	NA	""
"799363"	"799363"	"BMS-690514"	"COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1"	0	NA	NA	2	2	NA	""
"799364"	"799364"	"BMS-754807"	"C[C@]1(CCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6"	0	NA	NA	2	2	NA	""
"799370"	"799370"	"Buparlisib"	"Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F"	0	NA	NA	2	1	NA	""
"799648"	"799648"	"N-(5-(piperazin-1-yl)pyridin-2-yl)-4-(thieno[2,3-d]pyrim..."	"O=C(Nc1ccc(cn1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sccc45"	0	NA	NA	1	1	NA	""
"799649"	"799649"	"4-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin..."	"O=C(Nc1ccc(cn1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sc6CCCc6c45"	0	NA	NA	1	1	NA	""
"799650"	"799650"	"4-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin..."	"O=C(Nc1ccc(cc1)N2CCNCC2)c3n[nH]cc3Nc4ncnc5sc6CCCc6c45"	0	NA	NA	2	2	NA	""
"799653"	"799653"	"4-((6-phenoxypyrimidin-4-yl)amino)-N-(4-(piperazin-1-yl)..."	"O=C(Nc1ccc(cc1)N2CCNCC2)c3n[nH]cc3Nc4cc(Oc5ccccc5)ncn4"	0	NA	NA	1	1	NA	""
"799654"	"799654"	"4-((6-(cyclopentyloxy)pyrimidin-4-yl)amino)-N-(4-((4-met..."	"CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc4cc(OC5CCCC5)ncn4)cc2)CC1"	0	NA	NA	1	1	NA	""
"799659"	"799659"	"Quizartinib"	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	NA	NA	2	2	NA	"950769581"
"799674"	"799674"	"(Z)-1,3-diethyl-7-(1-isopropyl-2-oxoindolin-3-ylidene)-1..."	"CCN1C2NN=C3S\C(=C\4/C(=O)N(C(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"799678"	"799678"	"1,3-diethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)am..."	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"799691"	"799691"	""	"Nc1no[n+]([O-])c1c2nnc3C(=O)c4ccccc4c3n2"	0	NA	NA	1	1	NA	""
"799696"	"799696"	""	"CCOC(=O)c1nnn(c1COc2cccc3cccnc23)c4no[n+]([O-])c4c5ccc(OC)cc5"	0	NA	NA	1	1	NA	""
"799699"	"799699"	"1,3-diethyl-4-((E)-((E)-3-phenylallylidene)amino)-5-thio..."	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3)C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"799700"	"799700"	"3-ethyl-1-phenyl-4-((E)-((E)-3-phenylallylidene)amino)-5..."	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3)N(C1=O)c4ccccc4"	0	NA	NA	2	2	NA	""
"799702"	"799702"	"1,3-dimethyl-4-((E)-((E)-3-(2-nitrophenyl)allylidene)ami..."	"CN1C2NC(=S)N(\N=C\C=C\c3ccccc3[N+](=O)[O-])C2N(C)C1=O"	0	NA	NA	1	1	NA	""
"799728"	"799728"	""	"COc1cc(cc2C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)Oc12)n4cc(nn4)c5cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c5"	0	NA	NA	2	2	NA	""
"799729"	"799729"	"Desglucocyclamin 1"	"CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@]45OC[C@@]6(CC[C@@](C)(C[C@@H]46)C=O)[C@H](O)C[C@@]35C)O[C@@H]7OC[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]7O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O"	0	NA	NA	2	1	NA	"23643610"
"799732"	"799732"	""	"COc1ccc(cc1)c2noc(C(=O)O)c2c3cc(OC)c(OC)c(OC)c3"	0	NA	NA	1	1	NA	""
"799756"	"799756"	""	"COc1ccc2cc(ccc2c1)c3cnc4nonc4n3"	0	NA	NA	1	1	NA	""
"799895"	"799895"	""	"COc1ccc(cc1S(=O)(=O)N)C(=O)\C=C\c2ccc(Cl)cc2"	0	NA	NA	1	1	NA	""
"799899"	"799899"	""	"COc1ccc(cc1S(=O)(=O)NC2=C(N)N=C(NC2=O)SC)C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"799908"	"799908"	"GNE-140"	"Clc1ccccc1SC2C(=O)CC(NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5"	0	"LDHA"	"Clinical trial"	1	1	NA	"1802977612"
"799919"	"799919"	""	"CN(C)CCOc1ccc2[nH]c3nc4cccnc4c(C)c3c2c1"	0	NA	NA	1	1	NA	""
"799966"	"799966"	""	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)c4ccccc4)cc3)\c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"799971"	"799971"	""	"C\C(=C(/c1ccc(OCCN2CCCCCC2)cc1)\c3ccc(OC(=O)c4ccccc4)cc3)\Cc5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"799980"	"799980"	""	"COc1ccc(cc1)\C(=C(/c2ccc(OCCN3CCCCCC3)cc2)\c4ccc(OC(=O)C5CCCCC5)cc4)\C"	0	NA	NA	2	1	NA	""
"800018"	"800018"	""	"CC(=O)OCC1OC(S[Au+][C-]2N(Cc3ccccc3)C(=C(N2Cc4ccccc4)c5ccccc5)c6ccccc6)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C"	0	NA	NA	2	1	NA	""
"800030"	"800030"	"LXS-196"	"CC1(N)CCN(CC1)c2cccnc2NC(=O)c3nc(cnc3N)c4ncccc4C(F)(F)F"	0	"PK:PRKCA"	"Clinical trial"	1	1	NA	"1874276762"
"800038"	"800038"	""	"c12c3c4c(cc1NCc1ccc(cc1)CN[C@@H](=O)[C@@H]1[N-]5C(=O)C[N-]6C(=O)CN[Cu+2]56[n]5c(C1)c[nH]c5)c(=O)n(c(=O)c4c(cc3c(=O)n(c2=O)CCCN1CCOCC1)NCc1ccc(cc1)CN[C@@H](=O)[C@@H]1[N-]2C(=O)C[N-]3C(=O)CN[Cu+2]23[n]2c(C1)c[nH]c2)CCCN1CCOCC1"	0	NA	NA	2	2	NA	""
"800046"	"800046"	""	"ClCC(=O)Nc1ccc2c(Nc3cccc(OCC#C)c3)ncnc2c1"	0	NA	NA	1	1	NA	""
"800049"	"800049"	""	"ClCC(=O)Nc1ccc2ncnc(Nc3cccc(OCC#C)c3)c2c1"	0	NA	NA	2	2	NA	""
"800050"	"800050"	""	"ClCC(=O)Nc1cccc2c(Nc3cccc(OCC#C)c3)ncnc12"	0	NA	NA	1	1	NA	""
"800055"	"800055"	""	"C=CC(=O)Nc1ccc(Nc2ncnc3ccc(OCC#C)cc23)cc1"	0	NA	NA	1	1	NA	""
"800065"	"800065"	"BYL-719"	"Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F"	0	NA	NA	1	1	NA	""
"800066"	"800066"	"Cabozantinib"	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC"	0	NA	NA	1	1	NA	""
"800070"	"800070"	"CEP-32496"	"COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC"	0	NA	NA	2	2	NA	""
"800072"	"800072"	"Ceritinib"	"CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3"	0	NA	NA	1	1	NA	""
"800075"	"800075"	"Cobimetinib"	"OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4"	0	NA	NA	2	2	NA	""
"800076"	"800076"	"Copanlisib"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	NA	NA	1	1	NA	""
"800077"	"800077"	"CP-547632"	"NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc3c(F)cc(Br)cc3F"	0	NA	NA	1	1	NA	""
"800079"	"800079"	"Crenolanib"	"CC1(COc2ccc3c(c2)ncn3c4ccc5cccc(N6CCC(N)CC6)c5n4)COC1"	0	NA	NA	1	1	NA	""
"800080"	"800080"	"Crizotinib"	"C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl"	0	NA	NA	1	1	NA	""
"800081"	"800081"	"CUDC-101"	"COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO"	0	NA	NA	2	2	NA	""
"800084"	"800084"	"Dacomitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4"	0	NA	NA	2	2	NA	""
"800085"	"800085"	"Dactolisib"	"CN1C(=O)N(c2ccc(cc2)C(C)(C)C#N)c3c1cnc4ccc(cc34)c5cnc6ccccc6c5"	0	NA	NA	2	2	NA	""
"800086"	"800086"	"Danusertib"	"CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5"	0	NA	NA	2	1	NA	""
"800087"	"800087"	"Dasatinib"	"Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4"	0	NA	NA	2	2	NA	""
"800089"	"800089"	"Defactinib"	"CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(=O)(=O)C)n2)C(F)(F)F)cc1"	0	NA	NA	1	1	NA	""
"800091"	"800091"	"Dinaciclib"	"CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCC[C@H]4CCO"	0	NA	NA	2	2	NA	""
"800092"	"800092"	"Dovitinib"	"CN1CCN(CC1)c2ccc3N\C(=C\4/C(=C5C(=CC=CC5=NC4=O)F)N)\Nc3c2"	0	NA	NA	2	2	NA	""
"800094"	"800094"	"ENMD-2076"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2"	0	NA	NA	2	2	NA	""
"800095"	"800095"	"Entrectinib"	"CN1CCN(CC1)c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC6CCOCC6)c2"	0	NA	NA	1	1	NA	""
"800099"	"800099"	"Fedratinib"	"Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C"	0	NA	NA	2	2	NA	""
"800101"	"800101"	"Foretinib"	"COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6"	0	NA	NA	2	2	NA	""
"800102"	"800102"	"Fostamatinib"	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(=O)(O)O)c4n3)n2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"800105"	"800105"	"Gefitinib"	"COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4"	0	NA	NA	2	2	NA	""
"800106"	"800106"	"Gilteritinib"	"CCc1nc(C(=O)N)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5"	0	NA	NA	2	2	NA	""
"800107"	"800107"	"Golvatinib"	"CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3"	0	NA	NA	2	2	NA	""
"800108"	"800108"	"GSK-1070916"	"CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5"	0	NA	NA	1	1	NA	""
"800109"	"800109"	"GSK-2110183"	"Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3"	0	NA	NA	2	2	NA	""
"800111"	"800111"	"GSK-461364"	"C[C@@H](Oc1cc(sc1C(=O)N)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F"	0	NA	NA	2	2	NA	""
"800145"	"800145"	"N-(5-methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]py..."	"COc1cccc2cc(ccc12)N(C)c3nc(C)nc4ccsc34"	0	NA	NA	2	2	NA	""
"800146"	"800146"	"N4-(4-methoxyphenyl)-N4-methyl-5,6,7,8-tetrahydrobenzo[4..."	"COc1ccc(cc1)N(C)c2nc(N)nc3sc4CCCCc4c23"	0	NA	NA	2	2	NA	""
"800287"	"800287"	"3,3'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(eth..."	"CC1=CC=C(OCCOCCOCCOCCOC2=CC=C(C)N(O)C2=S)C(=S)N1O"	0	NA	NA	2	2	NA	""
"800288"	"800288"	"3,3'-(3,6,9,12-tetraoxatetradecane-1,14-diylbis(oxy))bis..."	"CC1=CC=C(OCCOCCOCCOCCOCCOC2=CC=C(C)N(O)C2=S)C(=S)N1O"	0	NA	NA	2	2	NA	""
"800341"	"800341"	""	"OCCN1C2=C(C(c3cccc(c3)C#N)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"800342"	"800342"	""	"OCCN1C2=C(C(c3cccc(c3)C#N)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	NA	""
"800343"	"800343"	""	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	NA	""
"800344"	"800344"	""	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"800345"	"800345"	""	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"800346"	"800346"	""	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5OCCOc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"800347"	"800347"	""	"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(F)c4"	0	NA	NA	2	2	NA	""
"800348"	"800348"	""	"OCCN1C2=C(C(c3cccc(c3)C(F)(F)F)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	NA	""
"800349"	"800349"	""	"OCCN1C2=C(C(c3cccc(c3)[N+](=O)[O-])c4cc5CCCc5cc14)C(=O)OC2"	0	NA	NA	2	2	NA	""
"800350"	"800350"	""	"OCCN1C2=C(C(c3cccc(F)c3)c4cc5OCOc5cc14)C(=O)OC2"	0	NA	NA	1	1	NA	""
"800354"	"800354"	""	"C[C@]12CC[C@H]3[C@@H](CC4SC(=NC45C\C(=N\NC(=O)N)\CC[C@]35C)N)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	""
"800371"	"800371"	"(S)-4-(((2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino)..."	"CC[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800372"	"800372"	"(S)-4-(2-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino..."	"CC[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(CCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800373"	"800373"	"(S)-4-(((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)a..."	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800374"	"800374"	"(S)-4-(((2-(1-((2-amino-6-methylpyrimidin-4-yl)amino)pro..."	"CC[C@H](Nc1cc(C)nc(N)n1)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800376"	"800376"	"(S)-4-(((2-(1-((6-amino-5-cyanopyrimidin-4-yl)amino)prop..."	"CC[C@H](Nc1ncnc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800377"	"800377"	"(S)-4-(((2-(1-((6-amino-5-chloropyrimidin-4-yl)amino)pro..."	"CC[C@H](Nc1ncnc(N)c1Cl)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"800378"	"800378"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	NA	""
"800379"	"800379"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)c5ccccc5"	0	NA	NA	1	1	NA	""
"800382"	"800382"	"1-[2-[(2S)-3,6-Dihydro-6-oxo-2H-pyran-2yl]-ethyl]-5-(4-f..."	"CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H]5CC=CC(=O)O5"	0	NA	NA	1	1	NA	"442851505"
"800405"	"800405"	"umbralisib"	"CC(C)Oc1ccc(cc1F)c2nn([C@@H](C)C3=C(C(=O)c4cc(F)ccc4O3)c5cccc(F)c5)c6ncnc(N)c26"	0	""	"FDA approved"	1	1	NA	"1532533677"
"800434"	"800434"	""	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)c4csc5C(=O)C=C(Oc45)N6CCNCC6)nc2n1C7CCCC7"	0	NA	NA	2	2	NA	""
"800436"	"800436"	""	"COCCOc1ccc(cc1)c2nc3ccc(cc3[nH]2)c4nc5ccc(cc5[nH]4)N6CCN(C)CC6"	0	NA	NA	1	1	NA	""
"800437"	"800437"	""	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCCC(C)(C)C)cc6"	0	NA	NA	1	1	NA	""
"800445"	"800445"	""	"COc1cc2C(=O)N(CC3CCCCC3)c4c(cnc5[nH]ccc45)c2cc1OC"	0	NA	NA	1	1	NA	""
"800508"	"800508"	"N-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox..."	"C[C@@]12CC\C=C(\Cn3cc(CNC(=O)c4cc5ccccc5[nH]4)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"800509"	"800509"	"(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-3-yl)methyl)-1H-1..."	"C[C@@]12CC\C=C(\Cn3cc(Cc4c[nH]c5ccccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"800510"	"800510"	"(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-1-yl)methyl)-1H-1..."	"C[C@@]12CC\C=C(\Cn3cc(Cn4ccc5ccccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"800512"	"800512"	"(1aR,7aS,10aS,10bS,E)-5-((4-((5-chloro-1H-indol-1-yl)met..."	"C[C@@]12CC\C=C(\Cn3cc(Cn4ccc5cc(Cl)ccc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"800513"	"800513"	"2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)-N-((1-((..."	"COc1ccc2c(c1)c(CC(=O)NCc3cn(C\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)nn3)cn2C(=O)c7ccc(Cl)cc7"	0	NA	NA	1	1	NA	""
"800522"	"800522"	"TPX-0005"	"C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23"	0	"PK:ROS1,ALK"	"Clinical trial"	2	2	NA	"1802220025"
"800525"	"800525"	"BAY-1895344"	"C[C@@H]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5ccn[nH]5)c4n2"	0	"PK:ATR"	"Clinical trial"	2	2	NA	""
"800528"	"800528"	"Paclitaxel-Copper-Albumin (PCA)"	""	0	NA	NA	1	1	NA	""
"800552"	"800552"	"2'-trifluoromethyl benzenepropynyl-3'- hydroxylup-20(29)..."	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](CC#Cc6ccc(cc6)C(F)(F)F)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	NA	""
"800577"	"800577"	"N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-4-morphol..."	"Nc1n[nH]c2cccc(C#Cc3cccc(NC(=O)c4ccc(N5CCOCC5)c(c4)C(F)(F)F)c3)c12"	0	NA	NA	1	1	NA	""
"800578"	"800578"	"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(4-methyl-1H-i..."	"Cc1cn(cn1)c2cc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc(c2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"800580"	"800580"	"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-((4-methylpipe..."	"CN1CCN(Cc2cc(NC(=O)c3cccc(c3)C#Cc4cccc5[nH]nc(N)c45)cc(c2)C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"800698"	"800698"	"L-Serine, N-(3-carboxy-1-oxopropyl)cysteinyl-D-phenylala..."	"CCC(C)CC1NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(CSCC3NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC(=O)C(NC1=O)C(C)OC(=O)C(CO)NC(=O)C(C(O)COC)N(C)C(=O)C(NC(=O)C(CC(C)CC)NC(=O)C(=C)NC(=O)C(NC3=O)C(C)CC)C(C)C)NC(=O)CCC(=O)O"	0	NA	NA	2	2	NA	"191681637"
"800717"	"800717"	"N-(6-(3-((N,N-diethylsulfamoyl)amino)phenyl)-1H-indazol-..."	"CCN(CC)S(=O)(=O)c1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2"	0	NA	NA	1	1	NA	""
"800729"	"800729"	"GDC-0077"	"C[C@H](Nc1ccc2c(OCCn3cc(nc23)N4[C@@H](COC4=O)C(F)F)c1)C(=O)N"	0	""	"Clinical trial"	2	2	NA	"2060571028"
"800746"	"800746"	""	"Oc1cccc2c1C(=O)C=CC23NN=C(N3c4ccccc4)c5ccccc5"	0	NA	NA	1	1	NA	""
"800767"	"800767"	"HMN-214"	"COc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2ccccc2\C=C\c3cc[n+]([O-])cc3"	0	NA	NA	2	2	NA	""
"800769"	"800769"	"Ibrutinib"	"Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	""
"800773"	"800773"	"IMD-0354"	"Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	1	NA	""
"800775"	"800775"	"JNJ-26483327"	"COc1cc2ncnc3Nc4cc(Br)ccc4CN(C)CCCCCOc1cc23"	0	NA	NA	1	1	NA	""
"800777"	"800777"	"K-252a"	"COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	1	1	NA	""
"800778"	"800778"	"KW-2449"	"O=C(N1CCNCC1)c2ccc(\C=C\c3n[nH]c4ccccc34)cc2"	0	NA	NA	1	1	NA	""
"800779"	"800779"	"KX2-391"	"O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4"	0	NA	NA	2	2	NA	""
"800780"	"800780"	"Lapatinib"	"CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"800782"	"800782"	"Lestaurtinib"	"C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35"	0	NA	NA	2	2	NA	""
"800784"	"800784"	"Linsitinib"	"C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26"	0	NA	NA	1	1	NA	""
"800789"	"800789"	"Masitinib"	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nc(cs4)c5cccnc5)c3)CC1"	0	NA	NA	1	1	NA	""
"800791"	"800791"	"Midostaurin"	"CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35)N(C)C(=O)c9ccccc9"	0	NA	NA	2	2	NA	""
"800792"	"800792"	"Milciclib"	"CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)CC5)ncc3CC(C)(C)c12"	0	NA	NA	2	2	NA	""
"800793"	"800793"	"MK-1775"	"CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2"	0	NA	NA	2	2	NA	""
"800794"	"800794"	"MK-2206"	"NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6"	0	NA	NA	2	2	NA	""
"800800"	"800800"	"Momelotinib"	"O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2"	0	NA	NA	1	1	NA	""
"800803"	"800803"	"Neratinib"	"CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	NA	NA	2	2	NA	""
"800804"	"800804"	"Nilotinib"	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"800806"	"800806"	"NMS-1286937"	"CN1CCN(CC1)c2ccc(OC(F)(F)F)c(Nc3ncc4CCc5c(nn(CCO)c5c4n3)C(=O)N)c2"	0	NA	NA	2	2	NA	""
"800807"	"800807"	"Omipalisib"	"COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3"	0	NA	NA	2	2	NA	""
"800810"	"800810"	"OSI-027"	"COc1cccc2cc([nH]c12)c3nc([C@@H]4CC[C@H](CC4)C(=O)O)n5ncnc(N)c35"	0	NA	NA	2	2	NA	""
"800812"	"800812"	"Osimertinib"	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34"	0	NA	NA	1	1	NA	""
"800813"	"800813"	"P-276-00"	"CN1CC[C@H]([C@@H]1CO)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl"	0	NA	NA	2	1	NA	""
"800814"	"800814"	"Pacritinib"	"C(CN1CCCC1)Oc2ccc3Nc4nccc(n4)c5cccc(COC\C=C/COCc2c3)c5"	0	NA	NA	2	1	NA	""
"800817"	"800817"	""	"Cn1cc(c2ncnc3ccc(cc23)c4cnc(Cl)c(NS(=O)(=O)C)c4)c5ccccc15"	0	NA	NA	2	2	NA	""
"800818"	"800818"	""	"Cc1cc(Oc2ccccc2)ccc1Nc3ncnc4ccc(cc34)c5cnc(Cl)c(NS(=O)(=O)C)c5"	0	NA	NA	1	1	NA	""
"800839"	"800839"	"Pazopanib"	"CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3"	0	NA	NA	1	1	NA	""
"800840"	"800840"	"PD-325901"	"OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"800841"	"800841"	"Pelitinib"	"CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C"	0	NA	NA	2	2	NA	""
"800842"	"800842"	"Perifosine"	"CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1"	0	NA	NA	1	1	NA	""
"800844"	"800844"	"Pexmetinib"	"Cc1ccc(cc1)n2nc(cc2NC(=O)NCc3cc(F)ccc3Oc4ccc5c(cnn5CCO)c4)C(C)(C)C"	0	NA	NA	1	1	NA	""
"800846"	"800846"	"PF-04691502"	"COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N([C@@H]4CC[C@H](CC4)OCCO)C2=O"	0	NA	NA	2	2	NA	""
"800847"	"800847"	"PF-3758309"	"CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5"	0	NA	NA	2	2	NA	""
"800848"	"800848"	"PF-477736"	"Cn1cc(cn1)c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc5C(=O)NN=Cc2c35"	0	NA	NA	2	2	NA	""
"800849"	"800849"	"PF-562271"	"CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)S(=O)(=O)C"	0	NA	NA	1	1	NA	""
"800851"	"800851"	"PHA-793887"	"CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C"	0	NA	NA	1	1	NA	""
"800852"	"800852"	"Pictilisib"	"CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1"	0	NA	NA	2	2	NA	""
"800853"	"800853"	"Pilaralisib"	"COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c4cccc(NC(=O)C(C)(C)N)c4)c1"	0	NA	NA	1	1	NA	""
"800854"	"800854"	"Pimasertib"	"OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"800855"	"800855"	"Ponatinib"	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"800856"	"800856"	"Poziotinib"	"COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC4CCN(CC4)C(=O)C=C"	0	NA	NA	2	2	NA	""
"800857"	"800857"	"Quizartinib"	"CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1"	0	NA	NA	1	1	NA	""
"800858"	"800858"	"R-406"	"COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC"	0	NA	NA	1	1	NA	""
"800859"	"800859"	"R-547"	"COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N"	0	NA	NA	2	2	NA	""
"800860"	"800860"	"Rabusertib"	"Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1"	0	NA	NA	1	1	NA	""
"800863"	"800863"	"Rebastinib"	"CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1"	0	NA	NA	2	2	NA	""
"800864"	"800864"	"Refametinib"	"COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(C[C@H](O)CO)CC3"	0	NA	NA	2	2	NA	""
"800866"	"800866"	"RGB-286638"	"COCCN1CCN(Cc2ccc(cc2)c3n[nH]c4c5cccc(NC(=O)NN6CCOCC6)c5C(=O)c34)CC1"	0	NA	NA	2	2	NA	""
"800868"	"800868"	"Rigosertib"	"COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1"	0	NA	NA	2	2	NA	""
"800870"	"800870"	"Ro-4987655"	"OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc3ccc(I)cc3F"	0	NA	NA	2	2	NA	""
"800871"	"800871"	"Ro-5126766"	"CNS(=O)(=O)Nc1nccc(CC2=C(C)c3ccc(Oc4ncccn4)cc3OC2=O)c1F"	0	NA	NA	2	2	NA	""
"800872"	"800872"	"Rociletinib"	"COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C"	0	NA	NA	1	1	NA	""
"800875"	"800875"	"Sapanisertib"	"CC(C)n1nc(c2ccc3oc(C)nc3c2)c4c(N)ncnc14"	0	NA	NA	2	2	NA	""
"800876"	"800876"	"Sapitinib"	"CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC"	0	NA	NA	2	2	NA	""
"800878"	"800878"	"Saracatinib"	"CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1"	0	NA	NA	1	1	NA	""
"800879"	"800879"	"SB-1317"	"CN1C\C=C/CCOc2cccc(c2)c3ccnc(Nc4cccc(C1)c4)n3"	0	NA	NA	2	1	NA	""
"800882"	"800882"	"Selumetinib"	"Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO"	0	NA	NA	2	2	NA	""
"800883"	"800883"	"SGI-1776"	"CN1CCC(CNc2ccc3ncc(c4cccc(OC(F)(F)F)c4)n3n2)CC1"	0	NA	NA	1	1	NA	""
"800886"	"800886"	"SNS-314"	"Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1"	0	NA	NA	1	1	NA	""
"800888"	"800888"	"CFI-402257"	"Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c(NC[C@@H]5C[C@](C)(O)C5)cc(Oc6cccnc6)nc34"	0	"IDUA|PK:TTK"	"Clinical trial"	2	2	NA	"1610759222"
"800893"	"800893"	"milademetan"	"CC1(C)CCC2(CC1)N[C@H]([C@H](c3ccnc(Cl)c3F)[C@]24C(=O)Nc5cc(Cl)ccc45)C(=O)N[C@@H]6CC[C@H](OC6)C(=O)N"	0	"MDM2"	"Clinical trial"	2	2	NA	"1398568472"
"800924"	"800924"	""	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccc(cc3)N(C)C4COC4"	0	NA	NA	2	2	NA	""
"800925"	"800925"	""	"CN(C)CCOC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1"	0	NA	NA	1	1	NA	""
"800928"	"800928"	""	"Brc1ccc(NC(=O)Cc2ccc(\C=C\C(=O)c3ncc[nH]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"800930"	"800930"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(cc3)C(F)(F)F)cc2"	0	NA	NA	1	1	NA	""
"800932"	"800932"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(CC(=O)Nc3ccc(Br)cc3)cc2"	0	NA	NA	1	1	NA	""
"800933"	"800933"	"Sonolisib"	"COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)\C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(=O)C)[C@@]12C"	0	NA	NA	2	2	NA	""
"800936"	"800936"	"SU-14813"	"Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN4CCOCC4"	0	NA	NA	1	1	NA	""
"800937"	"800937"	"Sunitinib"	"CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C"	0	NA	NA	1	1	NA	""
"800938"	"800938"	"TAK-285"	"CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12"	0	NA	NA	1	1	NA	""
"800939"	"800939"	"TAK-593"	"Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1"	0	NA	NA	1	1	NA	""
"800940"	"800940"	"TAK-733"	"CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(C[C@@H](O)CO)C3=O)F"	0	NA	NA	2	2	NA	""
"800946"	"800946"	"Tesevatinib"	"COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]4C[C@@H]5CN(C)C[C@@H]5C4"	0	NA	NA	2	2	NA	""
"800948"	"800948"	"TG-100801"	"Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)c5cc(OC(=O)c6ccccc6)ccc5Cl"	0	NA	NA	1	1	NA	""
"800949"	"800949"	"TG-100572"	"Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)c5cc(O)ccc5Cl"	0	NA	NA	2	2	NA	""
"800951"	"800951"	"Tivantinib"	"O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56"	0	NA	NA	2	2	NA	""
"800952"	"800952"	"Tivozanib"	"COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC"	0	NA	NA	1	1	NA	""
"800954"	"800954"	"Torisel"	"CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C/C=C(\C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO"	0	NA	NA	2	2	NA	""
"800955"	"800955"	"Tozasertib"	"CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2"	0	NA	NA	1	1	NA	""
"800956"	"800956"	"Trametinib"	"CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C"	0	NA	NA	2	2	NA	""
"800958"	"800958"	"UCN-01"	"CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6[C@H](O)NC(=O)c6c7c8ccccc8n2c7c35"	0	NA	NA	2	2	NA	""
"800959"	"800959"	"Ulixertinib"	"CC(C)Nc1cc(c(Cl)cn1)c2c[nH]c(c2)C(=O)N[C@H](CO)c3cccc(Cl)c3"	0	NA	NA	2	2	NA	""
"800960"	"800960"	"Uprosertib"	"Cn1ncc(Cl)c1c2cc(oc2Cl)C(=O)N[C@H](CN)Cc3ccc(F)c(F)c3"	0	NA	NA	2	2	NA	""
"800961"	"800961"	"Vandetanib"	"COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4"	0	NA	NA	1	1	NA	""
"800962"	"800962"	"Varlitinib"	"C[C@@H]1COC(=N1)Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"800964"	"800964"	"Vemurafenib"	"CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F"	0	NA	NA	2	2	NA	""
"800965"	"800965"	"Volasertib"	"CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)ncc2N(C)C1=O"	0	NA	NA	2	2	NA	""
"800970"	"800970"	"XL-228"	"CC(C)c1cc(CNc2nc(Nc3cc([nH]n3)C4CC4)cc(n2)N5CCN(C)CC5)on1"	0	NA	NA	1	1	NA	""
"800977"	"800977"	"AP26113"	"COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N(C)C"	0	NA	NA	2	2	NA	""
"800979"	"800979"	"AZD-6738"	"C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](=N)(=O)C"	0	NA	NA	1	1	NA	""
"800980"	"800980"	"BI-1482694"	"CN1CCN(CC1)c2ccc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c5sccc5n3)cc2"	0	NA	NA	1	1	NA	""
"800982"	"800982"	"CC-223"	"CO[C@@H]1CC[C@H](CC1)N2C(=O)CNc3ncc(nc23)c4ccc(nc4)C(C)(C)O"	0	NA	NA	2	2	NA	""
"800983"	"800983"	"CEP-37440"	"CNC(=O)c1ccccc1Nc2nc(Nc3ccc4C[C@H](CCCc4c3OC)N5CCN(CCO)CC5)ncc2Cl"	0	NA	NA	1	1	NA	""
"800984"	"800984"	"CH-5132799"	"CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4"	0	NA	NA	2	2	NA	""
"800985"	"800985"	"GDC-0032"	"CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N"	0	NA	NA	2	2	NA	""
"800986"	"800986"	"GDC-0068"	"CC(C)NC[C@@H](C(=O)N1CCN(CC1)c2ncnc3[C@H](O)C[C@@H](C)c23)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"800987"	"800987"	"GDC-0349"	"CCNC(=O)Nc1ccc(cc1)c2nc3CN(CCc3c(n2)N4CCOC[C@@H]4C)C5COC5"	0	NA	NA	2	2	NA	""
"800991"	"800991"	"VS-5584"	"CC(C)n1c(C)nc2c(nc(nc12)N3CCOCC3)c4cnc(N)nc4"	0	NA	NA	2	2	NA	""
"800993"	"800993"	"ZSTK474"	"FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5"	0	NA	NA	2	2	NA	""
"800994"	"800994"	"LY-3023414"	"CO[C@@H](C)CN1C(=O)N(C)c2cnc3ccc(cc3c12)c4cncc(c4)C(C)(C)O"	0	NA	NA	2	1	NA	""
"800998"	"800998"	"GDC-0623"	"OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F"	0	NA	NA	2	2	NA	""
"801002"	"801002"	"IPI-549"	"C[C@H](NC(=O)c1c(N)nn2cccnc12)C3=Cc4cccc(C#Cc5cnn(C)c5)c4C(=O)N3c6ccccc6"	0	NA	NA	1	1	NA	""
"801007"	"801007"	"PLX-8394"	"F[C@@H]1CCN(C1)S(=O)(=O)Nc2ccc(F)c(C(=O)c3c[nH]c4ncc(cc34)c5cnc(nc5)C6CC6)c2F"	0	NA	NA	2	2	NA	""
"801010"	"801010"	"LY-3009120"	"CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C"	0	NA	NA	2	2	NA	""
"801011"	"801011"	"Canertinib"	"Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl"	0	NA	NA	2	2	NA	""
"801012"	"801012"	"GSK-1059615"	"O=C1NC(=O)\C(=C\c2ccc3nccc(c4ccncc4)c3c2)\S1"	0	NA	NA	2	2	NA	""
"801013"	"801013"	"OTSSP167"	"CN(C)C[C@@H]1CC[C@H](CC1)Nc2c3NC(=C4C=C(Cl)C(=O)C(=C4)Cl)C=Cc3ncc2C(=O)C"	0	NA	NA	2	1	NA	""
"801014"	"801014"	"Gedatolisib"	"CN(C)C1CCN(CC1)C(=O)c2ccc(NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6)cc2"	0	NA	NA	2	2	NA	""
"801017"	"801017"	"SH_03_04"	"Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)s2"	0	NA	NA	2	2	NA	""
"801018"	"801018"	"SH_03_07"	"Cc1cccc(Cl)c1NC(=O)c2cnc(Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)s2"	0	NA	NA	2	2	NA	""
"801078"	"801078"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)\C=C\C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801079"	"801079"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)OC\C\6=C\CC[C@@]7(C)O[C@H]7[C@H]8OC(=O)C(=C)[C@@H]8CC6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO"	0	NA	NA	1	1	NA	""
"801082"	"801082"	"BLU-285"	"Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)[C@@](C)(N)c6ccc(F)cc6"	0	""	"FDA approved"	1	1	NA	"1703793343"
"801089"	"801089"	"PRN-1371"	"CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1802929436"
"801125"	"801125"	""	"CC1(C)C(N)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H]5[C@@H](CC[C@]5(CO)CC[C@@]34C)C(=C)CNCCc6ccc(O)cc6"	0	NA	NA	1	1	NA	""
"801128"	"801128"	""	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O"	0	NA	NA	1	1	NA	""
"801133"	"801133"	""	"COc1cc(F)c(\C=C\c2cc(\C=C\c3cc(OC)c(OC)cc3F)n(n2)c4cc(F)cc(F)c4)cc1OC"	0	NA	NA	1	1	NA	""
"801199"	"801199"	"Platin-L"	"[Cl-][Pt+2]([Cl-])(N)(N)(OC(=O)CCCCCCCCCCC)OC(=O)CCC(=O)O"	0	NA	NA	1	1	NA	""
"801230"	"801230"	"BMS-986158"	"Cc1nnn(C)c1c2cnc3c4ccc(cc4n([C@@H](C5CCOCC5)c6ccccc6)c3c2)C(C)(C)O"	0	""	"Clinical trial"	2	2	NA	"1800340402"
"801366"	"801366"	""	"CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(NC(=O)CCl)ccc23)c1Cl"	0	NA	NA	1	1	NA	""
"801407"	"801407"	""	"CCN(CC)CCOc1ccc(Nc2ncc3C=C(C(=O)N(CCOC)c3n2)c4c(Cl)cccc4Cl)cc1"	0	NA	NA	2	2	NA	""
"801409"	"801409"	""	"CCN(CC)CCOc1ccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4ccc(O)cc4)cc1"	0	NA	NA	2	2	NA	""
"801410"	"801410"	""	"CS(=O)(=O)c1cccc(Nc2ncc3cc(ccc3n2)c4ccccc4Cl)c1"	0	NA	NA	1	1	NA	""
"801420"	"801420"	"5-((8-amino-1,7-naphthyridin-5-yl)ethynyl)-6-methyl-N-(4..."	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"801421"	"801421"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(C)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"801422"	"801422"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"801428"	"801428"	""	"COC(=O)C1=C(C2OC1(C(Cc3ccccc3)Oc4ccccc4)C5OC25)C(=O)Nc6cccnc6"	0	NA	NA	1	1	NA	""
"801430"	"801430"	"(E)-2-(5,6-difluoro-1H-benzo[d][1,2,3]triazol-1-yl)-3-p-..."	"Cc1ccc(\C=C(/C#N)\n2nnc3cc(F)c(F)cc23)cc1"	0	NA	NA	1	1	NA	""
"801461"	"801461"	""	"ClCC(=O)Nc1ccc2c(ncnc2c1)c3cccc(OCC#C)c3"	0	NA	NA	2	2	NA	""
"801463"	"801463"	""	"ClCC(=O)Nc1ccc2nc(ncc2c1)c3cccc(OCC#C)c3"	0	NA	NA	1	1	NA	""
"801465"	"801465"	""	"ClCC(=O)N1CCC(C1)n2cnc3c(Nc4cccc(OCC#C)c4)ncnc23"	0	NA	NA	1	1	NA	""
"801519"	"801519"	"3,3'-(1,2,5-oxadiazole-3,4-diyl)bis(1-methyl-1H-indole)"	"Cn1cc(c2nonc2c3cn(C)c4ccccc34)c5ccccc15"	0	NA	NA	2	2	NA	""
"801544"	"801544"	"5-bromo-1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,2,5-oxa..."	"Cn1cc(c2nonc2c3cn(C)c4ccc(Br)cc34)c5ccccc15"	0	NA	NA	1	1	NA	""
"801548"	"801548"	"3-[4-(1H-indol-3-yl)-1,2,5-oxadiazol-3-yl]-1-methyl-1H-i..."	"Cn1cc(c2nonc2c3c[nH]c4ccccc34)c5ccccc15"	0	NA	NA	2	1	NA	""
"801586"	"801586"	"3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro..."	"Cn1cc(c2nc(cs2)c3c[nH]c4ccncc34)c5ccccc15"	0	NA	NA	1	1	NA	""
"801593"	"801593"	"3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-..."	"Cn1cc(c2csc(n2)c3c[nH]c4ccc(Br)cc34)c5cnccc15"	0	NA	NA	1	1	NA	""
"801605"	"801605"	"3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl..."	"c1ccc2c(c[nH]c2c1)c3nn4cc(nc4s3)c5cccs5"	0	NA	NA	1	1	NA	""
"801609"	"801609"	"5-fluoro-1-methyl-3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3..."	"Cn1cc(c2nn3cc(nc3s2)c4cccs4)c5cc(F)ccc15"	0	NA	NA	1	1	NA	""
"801656"	"801656"	"callyspongiolide"	"C[C@@H]1C\C=C/C(=O)O[C@H](\C=C\C#C\C=C\C(C)(C)[C@@H](O)c2cccc(O)c2Br)[C@@H](C)\C=C\[C@H](C)C[C@@H](C1)OC(=O)N"	0	NA	NA	2	2	NA	""
"801657"	"801657"	"Oximidine 189B"	"CO\N=C\C=C/C(=O)N\C=C\C[C@@H]1OC(=O)c2c(O)cccc2\C=C\C=C/[C@@H](O)\C=C\1"	0	NA	NA	2	2	NA	""
"801661"	"801661"	"TAK-931"	"Cc1n[nH]cc1c2cc3N=C(NC(=O)c3s2)C4CC5CCN4CC5"	0	"PK:CDC7"	"Clinical trial"	1	1	NA	"1330782767"
"801686"	"801686"	""	"CC1=C[C@@H]2[C@@H]([C@@H](c3cc(O)c(O)c4Oc5cc(O)cc(O)c5C(=O)c34)c6c(O)c(O)c7Oc8cc(O)cc(O)c8C(=O)c7c26)C(C)(C)C1"	0	NA	NA	1	1	NA	""
"801799"	"801799"	""	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"801800"	"801800"	""	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"801805"	"801805"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CCSCCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801806"	"801806"	"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)CSCSCC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801809"	"801809"	"5-((((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1..."	"C[C@@]12CC\C=C(\COC(=O)c3ccc(s3)C(=O)O)/CC[C@@H]4[C@H](OC(=O)C4=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801832"	"801832"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801833"	"801833"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801838"	"801838"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)\C=C\C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801839"	"801839"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCCl)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"801845"	"801845"	"4-amino-1-((2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxyme..."	"NC1=NC(=O)N(C=N1)[C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2F"	0	NA	NA	2	2	NA	""
"801882"	"801882"	"(E)-N'-(4-methoxybenzylidene)-2-(5-chloro-2-(4-(methylsu..."	"COc1ccc(\C=N\NC(=O)Cn2c(nc3cc(Cl)ccc23)c4ccc(cc4)S(=O)(=O)C)cc1"	0	NA	NA	1	1	NA	""
"801886"	"801886"	"2-((5-fluoro-2-(4-(methylsulfonyl)phenyl)-1H-indol-3-yl)..."	"CS(=O)(=O)c1ccc(cc1)c2[nH]c3ccc(F)cc3c2\C=N\NC(=S)N"	0	NA	NA	1	1	NA	""
"801891"	"801891"	"5-fluoro-2-(4-(methylsulfonyl)phenyl)-3-((2-(4-(methylsu..."	"CS(=O)(=O)c1ccc(N\N=C\c2c([nH]c3ccc(F)cc23)c4ccc(cc4)S(=O)(=O)C)cc1"	0	NA	NA	1	1	NA	""
"802004"	"802004"	"4-amino-1-((2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxyme..."	"NC1=NC(=O)N(C=C1)[C@@H]2S[C@H](CO)[C@@H](O)[C@@H]2F"	0	NA	NA	2	2	NA	""
"802076"	"802076"	"3-Bromo-6-hydroxy-13-methyl-12,13-dihydro-5H-indolo[2,3-..."	"Cn1c2ccc(Br)cc2c3c4C(=O)N(O)C(=O)c4c5c6ccccc6[nH]c5c13"	0	NA	NA	2	2	NA	""
"802082"	"802082"	"(5,10,11-Trimethyl-10H-pyrido[2,3-b]carbazol-7-yl)methanol"	"Cc1c2cccnc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	1	1	NA	""
"802100"	"802100"	"ON-123300"	"CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C#N)C(=O)N(C5CCCC5)c4n3)cc2"	0	"PK:CDK,RET"	"Clinical trial"	2	2	NA	"1357470291"
"802113"	"802113"	""	"CC(C)n1nc(C#Cc2cccc(O)c2)c3c(N)ncnc13"	0	NA	NA	2	2	NA	""
"802114"	"802114"	""	"CC(C)n1nc(C#Cc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)c4c(N)ncnc14"	0	NA	NA	1	1	NA	""
"802117"	"802117"	""	"CCn1nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c5c(N)ncnc15"	0	NA	NA	1	1	NA	""
"802120"	"802120"	""	"COc1cc(OC)c(C)c(Cc2ncccc2c3cc(Nc4c(C)cccc4NC(=O)C=C)ncn3)c1C"	0	NA	NA	1	1	NA	""
"802122"	"802122"	""	"COc1ccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)cc1"	0	NA	NA	1	1	NA	""
"802181"	"802181"	""	"CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)C1CCCN(O)C1=O"	0	NA	NA	1	1	NA	""
"802184"	"802184"	"(1aR,7aS,10aS,10bS,E)-5-((4-(((2-(5-chloro-1H-indol-3-yl..."	"C[C@@]12CC\C=C(\Cn3cc(CNCCc4c[nH]c5ccc(Cl)cc45)nn3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"802251"	"802251"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C\C3CCCCC3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	NA	""
"802252"	"802252"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)\C=C(/C)\c3ccccc3)[C@@]4(C[C@@H](OC(=O)CO)[C@@]2(C)O4)C5CCCCC5"	0	NA	NA	1	1	NA	""
"802253"	"802253"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)c3ccc4ccccc4c3)[C@@]5(C[C@@H](OC(=O)CO)[C@@]2(C)O5)C6CCCCC6"	0	NA	NA	1	1	NA	""
"802254"	"802254"	""	"C[C@@H]1CC[C@@H]2[C@@H]1[C@H](OC(=O)c3ccc4ccccc4c3C)[C@@]5(C[C@@H](OC(=O)CO)[C@@]2(C)O5)C6CCCCC6"	0	NA	NA	1	1	NA	""
"802367"	"802367"	""	"Clc1ccc2c(NCCCN3CCN(CC3)c4nc(nc5ccccc45)n6ccnc6)ccnc2c1"	0	NA	NA	2	2	NA	""
"802450"	"802450"	"BAY-1251152"	"COc1cc(F)ccc1c2cc(Nc3cc(CS(=N)(=O)C)ccn3)ncc2F"	0	""	"Clinical trial"	2	2	NA	"1610358569"
"802536"	"802536"	""	"C\C=C(\C)/C(=O)OC1C=C(CO)C(=O)C(OC(=O)\C(=C/C)\C)C1C(C)C"	0	NA	NA	2	1	NA	""
"802537"	"802537"	""	"C\C=C(\C)/C(=O)OC1C=C(CO)C(=O)C(OC(=O)C(C)(O)C(C)Cl)C1C(C)C"	0	NA	NA	1	1	NA	""
"802538"	"802538"	"5-((3-amino-6-fluoroisoquinolin-4-yl)ethynyl)-6-methyl-N..."	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802539"	"802539"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802540"	"802540"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802541"	"802541"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802542"	"802542"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cncc5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802544"	"802544"	""	"COc1ccc2c(N)ncc(C#Cc3cc(cnc3C)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)c2c1"	0	NA	NA	2	2	NA	""
"802545"	"802545"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802546"	"802546"	""	"COc1ccc2cnc(N)c(C#Cc3cc(cnc3C)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F)c2c1"	0	NA	NA	2	2	NA	""
"802547"	"802547"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(NC5CC5)c6ncccc46)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"802623"	"802623"	"~{N}-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octade..."	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)NCC[N+]2(C)CCOCC2"	0	NA	NA	1	1	NA	""
"802642"	"802642"	"N-(4-methoxyphenyl)-3-(5,6,7-trimethoxychroman-2-yl)benz..."	"COc1ccc(NC(=O)c2cccc(c2)C3CCc4c(O3)cc(OC)c(OC)c4OC)cc1"	0	NA	NA	1	1	NA	""
"802661"	"802661"	"2-amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4~{H}-benzo[h]..."	"NC1=C(C#N)C(c2ccc3ccccc3c2O1)c4cc5ccccc5n6nnnc46"	0	NA	NA	1	1	NA	""
"802743"	"802743"	""	"Cc1ccc(cc1)S(=O)(=O)c2nc(oc2S(=O)C)c3ccccc3"	0	NA	NA	1	1	NA	""
"802752"	"802752"	""	"ClC(=C1NC(=O)N/C/1=N\S(=O)(=O)N2CCCCC2)Cl"	0	NA	NA	1	1	NA	""
"802770"	"802770"	""	"Cc1ccc(cc1)c2nc(N3CCNCC3)c4oc(nc4n2)c5ccccc5"	0	NA	NA	1	1	NA	""
"802772"	"802772"	""	"Cc1ccc(cc1)c2oc3c(nc(nc3n2)c4ccc(C)cc4)N5CCNCC5"	0	NA	NA	2	2	NA	""
"802773"	"802773"	""	"Cc1ccc(cc1)c2oc3c(nc(nc3n2)c4ccc(C)cc4)N5CCCNCC5"	0	NA	NA	1	1	NA	""
"802778"	"802778"	""	"COC(=O)c1nc(oc1S(=O)(=O)Cc2ccccc2)c3ccccc3"	0	NA	NA	1	1	NA	""
"802787"	"802787"	""	"Cc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)n3nc(C)cc3N"	0	NA	NA	1	1	NA	""
"802820"	"802820"	"FT-1518"	"CCC(CC)n1cnc2c(nc(nc12)N3CC4CCC(C3)O4)c5cnc(N)cn5"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1313026582"
"802821"	"802821"	"PQR-530"	"C[C@H]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4CCOCC4"	0	"PK:MTOR"	"Clinical trial"	2	2	NA	"1927857611"
"802822"	"802822"	"nedisertib"	"COc1ccc(nn1)[C@@H](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5"	0	""	"Clinical trial"	1	1	NA	"1637542336"
"802913"	"802913"	"Asperphenin A"	"CCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC(C)C)CC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O"	0	NA	NA	1	1	NA	"1914929013"
"803051"	"803051"	""	"COc1ccc(cc1)c2oc(c(n2)S(=O)(=O)c3ccccc3)S(=O)CC(=O)N4CCC(C)CC4"	0	NA	NA	1	1	NA	""
"803052"	"803052"	"ethyl (E)-2-(2-methyl-3-((2-(naphtho[2,1-b]furan-2-carbo..."	"CCOC(=O)Cn1c(C)c(\C=N\NC(=O)c2oc3ccc4ccccc4c3c2)c5ccccc15"	0	NA	NA	2	2	NA	""
"803074"	"803074"	"Dexamethasone Sodium Phosphate"	"CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O"	0	NA	NA	1	1	NA	"2392394"
"803200"	"803200"	"1,3-diethyl-6-((E)-((E)-3-(2-methoxyphenyl)allylidene)am..."	"CCN1C2N=C(SC)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"803205"	"803205"	"(Z)-7-(4-bromobenzylidene)-1,3-diethyl-1,3a,4,9a-tetrahy..."	"CCN1C2NN=C3S\C(=C/c4ccc(Br)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"803209"	"803209"	"(Z)-7-(1-allyl-2-oxoindolin-3-ylidene)-1,3-diethyl-1,3a,..."	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC=C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"803211"	"803211"	"(Z)-1,3-dimethyl-7-(4-(trifluoromethyl)benzylidene)-1,3a..."	"CN1C2NN=C3S\C(=C/c4ccc(cc4)C(F)(F)F)\C(=O)N3C2N(C)C1=O"	0	NA	NA	1	1	NA	""
"803212"	"803212"	"(Z)-1,3-diethyl-7-(furan-2-ylmethylene)-1,3a,4,9a-tetrah..."	"CCN1C2NN=C3S\C(=C/c4occc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"803243"	"803243"	""	"COc1cc(OC)cc(c1)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	1	1	NA	""
"803248"	"803248"	"MTX-211"	"CS(=O)(=O)Nc1cc(cnc1Cl)c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2"	0	"PK:EGFR"	"Clinical trial"	2	2	NA	"1952236053"
"803320"	"803320"	"7-(4-(4-(4-bromophenyl)thiazol-2-ylcarbamoyl)piperazin-1..."	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C(=O)Nc5nc(cs5)c6ccc(Br)cc6)c(F)cc3C1=O"	0	NA	NA	2	1	NA	""
"803330"	"803330"	""	"Nc1c(sc2nc3CCCC(O)c3cc12)C(=O)Nc4ccccn4"	0	NA	NA	1	1	NA	""
"803347"	"803347"	""	"Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2cc1C(=O)c4ccccc4"	0	NA	NA	1	1	NA	""
"803349"	"803349"	""	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(=O)c4ccccc4"	0	NA	NA	2	2	NA	""
"803357"	"803357"	"9-(E)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl)-9,10-dihydr..."	"CCc1ccc(cc1)C(=O)\C=C\C23C4C(C(c5ccccc25)c6ccccc36)C(=O)NC4=O"	0	NA	NA	1	1	NA	""
"803358"	"803358"	"9-(E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl)-9,10-dihyd..."	"Fc1ccc(cc1)C(=O)\C=C\C23C4C(C(c5ccccc25)c6ccccc36)C(=O)NC4=O"	0	NA	NA	1	1	NA	""
"803364"	"803364"	"(E)-3-(4-methoxyphenyl)-1-(1H-tetrazol-1-yl)-2-(3,4,5-tr..."	"COc1ccc(\C=C(\C(=O)n2cnnn2)/c3cc(OC)c(OC)c(OC)c3)cc1"	0	NA	NA	1	1	NA	""
"803405"	"803405"	""	"Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"803409"	"803409"	"BAY-1816032"	"COc1cnccc1Nc2nc(ncc2OC)c3nn(Cc4c(F)cc(OCCO)cc4F)c5ccccc35"	0	"PK:BUB1"	"Clinical trial"	1	1	NA	"1891087618"
"803410"	"803410"	"LY-3214996"	"Cn1nccc1Nc2nccc(n2)c3cc4C(=O)N(CCN5CCOCC5)C(C)(C)c4s3"	0	"PK:ERK"	"Clinical trial"	2	2	NA	"1951483296"
"803415"	"803415"	""	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2ccc(F)c(OC)c2"	0	NA	NA	1	1	NA	""
"803416"	"803416"	""	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2ccc(OC)c(F)c2"	0	NA	NA	2	2	NA	""
"803419"	"803419"	""	"CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2cccs2"	0	NA	NA	1	1	NA	""
"803423"	"803423"	""	"CCCCCCCCCCCCNC(=O)[C@H]1CSC(N1)c2cc3ccccc3s2"	0	NA	NA	1	1	NA	""
"803434"	"803434"	""	"CCCCCCNC(=O)Oc1ccc(cc1)\C(=C(/C)\c2ccccc2)\c3ccc(OCCN(CC)CC)cc3"	0	NA	NA	1	1	NA	""
"803448"	"803448"	"7'-(4-chlorophenyl)spiro[adamantane-2,3'-[1,2,4,5,7]tetr..."	"Clc1ccc(cc1)N2COOC3(OOC2)[C@@H]4C[C@@H]5C[C@@H](C[C@@H]3C5)C4"	0	NA	NA	2	2	NA	""
"803461"	"803461"	"(S)-6-(2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)ami..."	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(CCCCCC(=O)NO)c3C(=O)N2c4ccccc4"	0	NA	NA	1	1	NA	""
"803563"	"803563"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"803564"	"803564"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"803565"	"803565"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"803566"	"803566"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ccncc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"803567"	"803567"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5cnccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"803572"	"803572"	""	"Fc1cc2[nH]ncc2c3c4CCC(Cc4c(nc13)c5c[nH]nc5C(F)(F)F)C#N"	0	NA	NA	1	1	NA	""
"803573"	"803573"	""	"ClCC(=O)N1CCC(C1)n2cnc3cnc(Nc4cccc(OCC#C)c4)nc23"	0	NA	NA	1	1	NA	""
"803577"	"803577"	""	"C[C@H](Cl)C(=O)Nc1ccc2c(Nc3cccc(OC#C)c3)ncnc2c1"	0	NA	NA	1	1	NA	""
"803578"	"803578"	""	"ClCC(=O)Nc1cnc2ncc(C#N)c(Nc3cccc(OC#C)c3)c2c1"	0	NA	NA	1	1	NA	""
"803580"	"803580"	""	"ClCC(=O)Nc1cnc2ncnc(Nc3cccc(OC#C)c3)c2c1"	0	NA	NA	2	1	NA	""
"803582"	"803582"	""	"C[C@@H](Cl)C(=O)Nc1ccc2c(Nc3cccc(OC#C)c3)ncnc2c1"	0	NA	NA	1	1	NA	""
"803593"	"803593"	"2-((5-bromo-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4..."	"CNC(=O)c1ccccc1Nc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2Br"	0	NA	NA	2	2	NA	""
"803679"	"803679"	"H-L KWLKIGKVA KKLAKSFVGL LGKIKKG-N"	""	0	NA	NA	1	1	NA	""
"803712"	"803712"	"TAK-901"	"CCS(=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24"	0	NA	NA	2	2	NA	""
"803723"	"803723"	""	"Nc1c(C#N)c(nn1C2=CC(=O)Nc3ccc(Br)cc23)C#N"	0	NA	NA	1	1	NA	""
"803724"	"803724"	""	"[S-]1C(=N[N]2=C(C(=[N]3N=C([S-][Cu+2]123)OCC)C)C)NC"	0	NA	NA	2	1	NA	""
"803725"	"803725"	""	"[S-]1C(=N[N]2=C(C(=[N]3N=C([S-][Cu+2]123)OCC)C)c1ccccc1)NC"	0	NA	NA	2	2	NA	""
"803769"	"803769"	""	"NC1=C(C#N)C(c2ccccc2)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	NA	""
"803776"	"803776"	""	"COc1ccc(\C=N\C2=C(C#N)C(c3ccccc3)c4ccc5ccccc5c4O2)cc1"	0	NA	NA	2	2	NA	""
"803778"	"803778"	""	"N#CC1=C(Oc2c(ccc3ccccc23)C1c4ccccc4)\N=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"803789"	"803789"	"AZD-1390"	"CC(C)N1C(=O)N(C)c2cnc3cc(F)c(cc3c12)c4ccc(OCCCN5CCCCC5)nc4"	0	"PK:ATM"	"Clinical trial"	1	1	NA	"2089288037"
"803874"	"803874"	""	"CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)c4csc5C(=S)C=C(Oc45)N6CCOCC6)nc2n1C7CCCC7"	0	NA	NA	2	2	NA	""
"803877"	"803877"	"englerin A benzoate"	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)c3ccccc3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	3	3	NA	""
"803878"	"803878"	"englerin A acetate"	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)C)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	3	3	NA	""
"803879"	"803879"	"englerin A hexanoate"	"CCCCCC(=O)OCC(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4)C(C)C"	0	NA	NA	3	3	NA	""
"803880"	"803880"	"Englerin A dimethylacryloate"	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)C=C(C)C)[C@@](C)(O1)[C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C\c4ccccc4"	0	NA	NA	3	3	NA	""
"803905"	"803905"	"3-(4-(dimethylamino)phenyl)-2-(1H-indol-2-yl)acrylonitriles"	"CN(C)c1ccc(\C=C(/C#N)\c2cc3ccccc3[nH]2)cc1"	0	NA	NA	1	1	NA	""
"803920"	"803920"	""	"[2H]C([2H])([2H])Oc1c(OC)cc(\C=C\C(=C\C(=O)\C=C\c2cc(OC)c(OC([2H])([2H])[2H])c(OC)c2)\OB(F)F)cc1OC"	0	NA	NA	1	1	NA	""
"803934"	"803934"	"10-chloro-6-(propylamino)-12H-thiochromeno[2,3-c]quinoli..."	"CCCNc1nc2ccccc2c3C(=O)c4cc(Cl)ccc4S(=O)(=O)c13"	0	NA	NA	1	1	NA	""
"803939"	"803939"	"10-chloro-6-((3-((2-hydroxyethyl)amino)propyl)amino)-12H..."	"OCCNCCCNc1nc2ccccc2c3C(=O)c4cc(Cl)ccc4S(=O)(=O)c13"	0	NA	NA	1	1	NA	""
"804029"	"804029"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	1	1	NA	""
"804031"	"804031"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	1	1	NA	""
"804032"	"804032"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"C[C@@]12CC\C=C(\COC(=O)NCc3ccc(CN4C(=O)SN(CCCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	1	1	NA	""
"804035"	"804035"	"((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,..."	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(CNC(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)cc3)C2=O"	0	NA	NA	1	1	NA	""
"804041"	"804041"	"AMG-176"	"CO[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]6CC[C@@H]16)c3c2"	0	""	"Clinical trial"	1	1	NA	"1883727341"
"804053"	"804053"	""	"OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)n3c4ccccc4c5ccccc35"	0	NA	NA	1	1	NA	""
"804067"	"804067"	"(E)-3-benzylidene-5,8a-dihydroxy-2,3-dihydro-4H-chromene..."	"OC1=C2C(=O)\C(=C\c3ccccc3)\COC2(O)C=CC1=O"	0	NA	NA	1	1	NA	""
"804131"	"804131"	"Englerin A cinnamate"	"CC(C)[C@@]12C[C@@H](OC(=O)COC(=O)\C=C\c3ccccc3)[C@@](C)(O1)[C@@H]4CC[C@@H](C)[C@H]4[C@@H]2OC(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"804141"	"804141"	""	"CN1CCN(Cc2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c6CCCCc36)cc2C(F)(F)F)CC1"	0	NA	NA	2	1	NA	""
"804142"	"804142"	""	"FC(F)(F)c1n[nH]cc1c2nc3c(cc4[nH]ncc4c3c5CCCCc25)N6CCCCC6"	0	NA	NA	2	1	NA	""
"804144"	"804144"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5cc(F)ccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"804145"	"804145"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"804146"	"804146"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"804149"	"804149"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5c(F)cccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"804154"	"804154"	"(S)-2-(((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)a..."	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(CN(C)c4ncc(cn4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	2	2	NA	""
"804230"	"804230"	""	"CC(=O)OC[C@]1(C)C=C2C(=C(C)C3(CC3)[C@@](C)(O)C2=O)[C@H]1O"	0	NA	NA	2	2	NA	""
"804254"	"804254"	"SHP-099"	"CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl"	0	"PTPN11"	"Clinical trial"	1	1	NA	"1801747114"
"804258"	"804258"	""	"CCOc1cccc(c1)c2nc(N)nc(Nc3ccccc3SSc4ccccc4Nc5nc(N)nc(n5)c6cccc(OCC)c6)n2"	0	NA	NA	1	1	NA	""
"804262"	"804262"	""	"Brc1cc(ccn1)C(=N)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	1	1	NA	""
"804265"	"804265"	""	"COc1cc2[C@H]([C@H]3c4cc(C[C@H](C)O)cc(O)c4C(=O)c5c(O)c(Cl)c(OC)cc35)c6cc(C[C@H](C)O)cc(O)c6C(=O)c2c(O)c1Cl"	0	NA	NA	2	1	NA	""
"804279"	"804279"	"1,1-(Acridin-3,6-diyl)-3,3-di(hexyl)diurea"	"CCCCCCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCCCCCC)cc3nc2c1"	0	NA	NA	2	2	NA	""
"804282"	"804282"	"1,1-(Acridin-3,6-diyl)-3,3-di(phenyl)diurea"	"O=C(Nc1ccccc1)Nc2ccc3cc4ccc(NC(=O)Nc5ccccc5)cc4nc3c2"	0	NA	NA	1	1	NA	""
"804286"	"804286"	"1,1-(Acridin-3,6-diyl)-3,3-di[2-(phenyl)ethyl]diurea"	"O=C(NCCc1ccccc1)Nc2ccc3cc4ccc(NC(=O)NCCc5ccccc5)cc4nc3c2"	0	NA	NA	1	1	NA	""
"804412"	"804412"	""	"C[C@@]12CC=C3c4nc(Nc5cccc(O)c5)sc4CC[C@]3(C)[C@H]1CC[C@@]6(C)[C@H]2CCC6=O"	0	NA	NA	1	1	NA	""
"804426"	"804426"	""	"CC(=O)N1C(C2=C(Nc3ccccc13)C(C)(C)N(Cc4ccccc4)C2=O)c5occc5"	0	NA	NA	2	2	NA	""
"804480"	"804480"	""	"O=C(\C=C\1/C(=O)Nc2ccccc12)c3ccc(cc3)N4CCCC4"	0	NA	NA	1	1	NA	""
"804497"	"804497"	""	"COc1cc(\C=C\C(=O)\C=C\c2ccc(cc2)n3ccnc3C)ccc1O"	0	NA	NA	1	1	NA	""
"804498"	"804498"	""	"COc1cc(\C=C\C(=O)\C=C\c2ccc(cc2)n3ccnc3)ccc1O"	0	NA	NA	1	1	NA	""
"804518"	"804518"	"BAY-1163877"	"COCc1c(CN2CCNC(=O)C2)n3ncnc(N)c3c1c4cc5cc(C)cc(OC)c5s4"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1443530059"
"804520"	"804520"	"HDM-201"	"COc1ncc(c(OC)n1)c2nc3C(=O)N([C@@H](c4ccc(Cl)cc4)c3n2C(C)C)C5=CC(=CN(C)C5=O)Cl"	0	"MDM2"	"Clinical trial"	1	1	NA	"1448867411"
"804521"	"804521"	"S-222611"	"CC#C\C(=N/OC[C@H]1COCCN1)\c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2"	0	"PK:EGFR,ERBB2"	"Clinical trial"	1	1	NA	""
"804572"	"804572"	"5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihyd..."	"COc1ncc(cc1S(=O)(=O)Nc2ccc(F)cc2F)c3ccc4N=C(N)N(C(=O)c4c3)c5ccccc5C(F)(F)F"	0	NA	NA	1	1	NA	""
"804629"	"804629"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"804637"	"804637"	""	"CN1CCN(Cc2ccc(cc2)C(=O)Nc3ncc(s3)C(=O)Nc4c(C)cccc4Cl)CC1"	0	NA	NA	2	2	NA	""
"804644"	"804644"	""	"O=C(Nc1cccnc1)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cccnc5"	0	NA	NA	2	2	NA	""
"804645"	"804645"	""	"C[n+]1cccc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5ccc[n+](C)c5)c1"	0	NA	NA	2	2	NA	""
"804660"	"804660"	""	"Oc1cc(OCc2cn(Cc3ccc(F)cc3)nn2)cc4OC(=CC(=O)c14)c5ccccc5"	0	NA	NA	1	1	NA	""
"804681"	"804681"	"2-[4-vinylpiridine]-3-hydroxy-lup-20(29)-en-28-N-methylp..."	"CN1CCN(CC1)C(=O)[C@]23CC[C@H]([C@@H]2[C@H]4CC[C@@H]5[C@@]6(C)C\C(=C\c7ccncc7)\[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3)C(=C)C"	0	NA	NA	1	1	NA	""
"804687"	"804687"	"2-[3-vinylpyridine]-3-hydroxy-lup-20(29)-en-28-amide"	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)N"	0	NA	NA	1	1	NA	""
"804688"	"804688"	"2-[3-vinylpyridine]-3-hydroxy-olean-12(13)-en-28-oic acid"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O"	0	NA	NA	1	1	NA	""
"804692"	"804692"	"2-[3-vinylpyridine]-3-hydroxy-12(13)-en-urs-28-oic acid"	"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O"	0	NA	NA	1	1	NA	""
"804700"	"804700"	"20-hydroxy-3,4-seco-4(28),24(25)-dammaradien-3-N-proparg..."	"CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]3[C@@](C)(CCC(=O)NCC#C)[C@@H](CC[C@@]23C)C(=C)C)C"	0	NA	NA	1	1	NA	""
"804702"	"804702"	"24-N-prorargyl amid of 3-oxo-lithocholic acid"	"C[C@H](CCC(=O)NCC#C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"	0	NA	NA	1	1	NA	""
"804707"	"804707"	"3-oximino-20-hydroxy-24(25)-dammaren"	"CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]3[C@@]4(C)CC\C(=N\O)\C(C)(C)[C@@H]4CC[C@@]23C)C"	0	NA	NA	1	1	NA	""
"804720"	"804720"	"Methyl ester of 3,11-dioxo-3-homo-3-aza-12(13)-en-18.bet..."	"COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1"	0	NA	NA	1	1	NA	""
"804737"	"804737"	"Methyl ester 3-((2-cyanoethyl-2-cyanoethoxy)-amidoxim-pr..."	"COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC\C(=N/OCC\C(=N\OCCC#N)\NCCC#N)\C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=C)C"	0	NA	NA	1	1	NA	""
"804741"	"804741"	"3-Oxo-17-(triethylentetramino)-carbonilo-lupa-20(29)-en"	"CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCCNCCNCCN"	0	NA	NA	1	1	NA	""
"804785"	"804785"	""	"COC(=O)\C=C\c1cc(O)c2oc(c3ccc(O)c(O)c3)c(C(=O)OC)c2c1"	0	NA	NA	3	3	NA	""
"804832"	"804832"	""	"Cc1ccc(\C=C\C(=O)c2ccc(N)cc2)c(C)c1"	0	NA	NA	1	1	NA	""
"804861"	"804861"	"ASTX-660"	"C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN5CCOC[C@H]5C)CN1"	0	"IAP"	"Clinical trial"	1	1	NA	"1799328861"
"804929"	"804929"	""	"COc1cc(cc(OC)c1OC)C2C(=C(N)OC3=C2C(=O)c4ccccc4C3=O)C#N"	0	NA	NA	1	1	NA	""
"804935"	"804935"	""	"Cc1cccc(NC(=O)c2sc3nc4CCCCc4cc3c2N)c1C"	0	NA	NA	2	2	NA	""
"804962"	"804962"	"FGF-401"	"COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1708971554"
"804982"	"804982"	"(E)-4-((2-(6-chloro-2-methylquinolin-4-yl)hydrazono)meth..."	"COc1ccc(cc1)c2oc(C)c(\C=N\Nc3cc(C)nc4ccc(Cl)cc34)n2"	0	NA	NA	1	1	NA	""
"804984"	"804984"	"(E)-4-((2-(6-chloro-2-methylquinolin-4-yl)hydrazono)meth..."	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Cl)cc23)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"804985"	"804985"	"(E)-4-((2-(6-bromo-2-methylquinolin-4-yl)hydrazono)methy..."	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Br)cc23)c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"804986"	"804986"	"(E)-4-((2-(6-chloro-2-methylquinolin-4-yl)hydrazono)meth..."	"Cc1cc(N\N=C\c2nc(oc2C)c3ccccc3)c4cc(Cl)ccc4n1"	0	NA	NA	1	1	NA	""
"804991"	"804991"	"(E)-4-((2-(6-bromo-2-methylquinolin-4-yl)hydrazono)methy..."	"Cc1oc(nc1\C=N\Nc2cc(C)nc3ccc(Br)cc23)c4ccc(Br)cc4"	0	NA	NA	1	1	NA	""
"805021"	"805021"	""	"NC1=C(C(c2ccccc2)c3ccc4ccccc4c3O1)C(=N)NO"	0	NA	NA	2	2	NA	""
"805055"	"805055"	"3-amino-~{N}-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(1-hyd..."	"CC(O)c1cc2c(N)c(sc2nc1C)C(=O)Nc3cccc4OCCOc34"	0	NA	NA	1	1	NA	""
"805061"	"805061"	"(3E,5E)-3,5-bis(4-fluorobenzylidene)-1-(3-(4-(hydroxyimi..."	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(F)cc3)\C(=O)\C(=C\c4ccc(F)cc4)\C2)CC1"	0	NA	NA	3	2	NA	""
"805062"	"805062"	"(3E,5E)-3,5-bis(4-chlorobenzylidene)-1-(3-(4-(hydroxyimi..."	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(Cl)cc3)\C(=O)\C(=C\c4ccc(Cl)cc4)\C2)CC1"	0	NA	NA	3	1	NA	""
"805063"	"805063"	"(3E,5E)-3,5-bis(3,4-dichlorobenzylidene)-1-(3-(4-(hydrox..."	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(Cl)c(Cl)c3)\C(=O)\C(=C\c4ccc(Cl)c(Cl)c4)\C2)CC1"	0	NA	NA	3	2	NA	""
"805064"	"805064"	"(3E,5E)-1-(3-(4-(hydroxyimino)piperidin-1-yl)propanoyl)-..."	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc1"	0	NA	NA	1	1	NA	""
"805065"	"805065"	"(3E,5E)-1-(3-(4-(hydroxyimino)piperidin-1-yl)propanoyl)-..."	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc1"	0	NA	NA	1	1	NA	""
"805066"	"805066"	"(3E,5E)-1-(3-(4-(hydroxyimino)piperidin-1-yl)propanoyl)-..."	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(OC)c(OC)c(OC)c3)\C2=O)C(=O)CCN4CCC(=NO)CC4)cc(OC)c1OC"	0	NA	NA	3	2	NA	""
"805068"	"805068"	"(3E,5E)-1-(3-(4-(hydroxyimino)piperidin-1-yl)propanoyl)-..."	"ON=C1CCN(CCC(=O)N2C\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)\C(=C\c4ccc(cc4)[N+](=O)[O-])\C2)CC1"	0	NA	NA	3	3	NA	""
"805069"	"805069"	"(3E,3'E,5E,5'E)-1,1'-propionylbis(3,5-dibenzylidenepiper..."	"O=C(CCN1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1)N4C\C(=C/c5ccccc5)\C(=O)\C(=C\c6ccccc6)\C4"	0	NA	NA	3	3	NA	""
"805093"	"805093"	""	"CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)C6CC(=C(C)C(=O)O6)C"	0	NA	NA	2	1	NA	""
"805094"	"805094"	""	"CC1=C(C)C(=O)OC(C1)[C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23COC(=O)c7oc(C)cc7"	0	NA	NA	2	1	NA	""
"805098"	"805098"	""	"Nc1nc2ccc(cc2s1)c3nc4ccc5[nH]ncc5c4c6CCCc36"	0	NA	NA	2	2	NA	""
"805100"	"805100"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5nc(C)c(C)nc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805101"	"805101"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cncc5nccnc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"805102"	"805102"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805103"	"805103"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4c(N)ncc5ccc(C)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805104"	"805104"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5cccnc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805105"	"805105"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccncc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805106"	"805106"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5cnccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"805107"	"805107"	""	"C=C1CC2(OC1=O)C(=O)Nc3ccccc23"	0	NA	NA	1	1	NA	""
"805108"	"805108"	""	"C=C1CC2(OC1=O)C(=O)N(CCCN3C(=O)C4(CC(=C)C(=O)O4)c5ccccc35)c6ccccc26"	0	NA	NA	1	1	NA	""
"805109"	"805109"	""	"C=C1CC2(OC1=O)C(=O)N(CCCCCCCN3C(=O)C4(CC(=C)C(=O)O4)c5ccccc35)c6ccccc26"	0	NA	NA	1	1	NA	""
"805129"	"805129"	""	"Brc1cccc(c1)c2cc(n[nH]2)c3ccc4OCCOc4c3"	0	NA	NA	1	1	NA	""
"805131"	"805131"	""	"Clc1cccc(c1)c2cc(n[nH]2)c3ccc4OCCOc4c3"	0	NA	NA	1	1	NA	""
"805134"	"805134"	""	"Brc1cccc(c1)c2cc(n[nH]2)c3ccc4nccnc4c3"	0	NA	NA	2	2	NA	""
"805149"	"805149"	"TP-3654"	"CC(C)(O)[C@@H]1CC[C@H](CC1)Nc2ccc3ncc(c4cccc(c4)C(F)(F)F)n3n2"	0	"PK:PIM1,PIM3"	"Clinical trial"	1	1	NA	"1361951156"
"805200"	"805200"	""	"C[C@]12CC[C@H]3[C@@H](CC=C4c5nc(NCCc6ccccc6)sc5CC[C@]34C)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	""
"805251"	"805251"	""	"COc1cc(\C=C\2/CCC\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)cc(CN5CCCC5)c1O"	0	NA	NA	1	1	NA	""
"805256"	"805256"	""	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCOCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccc(C)cc5)cc(CN6CCOCC6)c1O"	0	NA	NA	1	1	NA	""
"805260"	"805260"	""	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccc(C)cc5)cc(CN6CCCC6)c1O"	0	NA	NA	1	1	NA	""
"805261"	"805261"	""	"Cc1c(C)c2OC(C)(CCCCCCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)CCc2c(C)c1OC(=O)CCC(=O)O"	0	NA	NA	2	2	NA	""
"805336"	"805336"	""	"BrC1CCC(CC1)NC(=O)C2CCCC(C2)S(=O)(=O)NC3CCCCC3"	0	NA	NA	1	1	NA	""
"805338"	"805338"	""	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC"	0	NA	NA	3	3	NA	""
"805500"	"805500"	"SEL-120"	"Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N4CCNCC4"	0	"PK:CDK"	"Clinical trial"	1	1	NA	"1609452303"
"805524"	"805524"	""	"Clc1ccc(CN2C(=S)Nc3sc4CC(=O)CCc4c3C2=O)cc1"	0	NA	NA	2	1	NA	""
"805531"	"805531"	"2-amino-4-(3,5-dimethoxyphenyl)-9-hydroxy-4H-benzo[h]chr..."	"COc1cc(OC)cc(c1)C2C(=C(N)Oc3c2ccc4ccc(O)cc34)C#N"	0	NA	NA	2	2	NA	""
"805596"	"805596"	"IDF-11774"	"CN1CCN(CC1)C(=O)COc2ccc(cc2)[C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)C4"	0	""	"Clinical trial"	1	1	NA	"1429054283"
"805597"	"805597"	"Ritanserin"	"CC1=C(CCN2CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1"	0	NA	NA	1	1	NA	"87051432"
"805613"	"805613"	""	"CCO\C=N\C1=C(C#N)C(c2ccc(OC)cc2)c3sc4c(F)cccc4c3O1"	0	NA	NA	1	1	NA	""
"805641"	"805641"	""	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(=O)\C=C\c5ccccc5"	0	NA	NA	2	2	NA	""
"805643"	"805643"	""	"COc1cccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)c1"	0	NA	NA	2	1	NA	""
"805645"	"805645"	""	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(=O)\C=C\c4cccc(OC)c4)cc1"	0	NA	NA	1	1	NA	""
"805649"	"805649"	""	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4)cc1"	0	NA	NA	2	2	NA	""
"805650"	"805650"	""	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)cc1"	0	NA	NA	2	1	NA	""
"805651"	"805651"	""	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4C)cc1"	0	NA	NA	2	2	NA	""
"805652"	"805652"	""	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(=O)\C=C\c4ccc(OC)cc4)cc1"	0	NA	NA	2	2	NA	""
"805654"	"805654"	""	"COc1ccc(\C=C\C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4Cl)cc1"	0	NA	NA	1	1	NA	""
"805655"	"805655"	""	"COc1ccc(\C=C\C(=O)c2cc3c(\N=C\c4ccc(OC)cc4)c(sc3nc2C)C(=O)Nc5cccc(Cl)c5C)cc1"	0	NA	NA	2	2	NA	""
"805657"	"805657"	""	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(=O)\C=C\c4ccccc4"	0	NA	NA	2	2	NA	""
"805660"	"805660"	"Toroglobulin general structure is  Linoleic acidarginine..."	""	0	NA	NA	1	1	NA	""
"805745"	"805745"	""	"CC(C)C1CC(C)(O)C(CC1O)OC(=O)C(O)(CCC(C)(O)C(=O)OC2(CCC(C)C=C2)C(C)C)C(C)C"	0	NA	NA	2	2	NA	""
"805746"	"805746"	"CC-671"	"CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c4c(c[nH]c4n2)c5ccc6nc(C)oc6c5)c(OC)c1"	0	"PK:TTK"	"Clinical trial"	2	2	NA	"1618658880"
"805785"	"805785"	""	"CCCCCCCCn1ccc2cc(NC(=O)Cn3cc(CN4CCCCC4)nn3)ccc12"	0	NA	NA	1	1	NA	""
"805852"	"805852"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cn(C)cn4)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"805889"	"805889"	""	"COc1ccc(\C=N/Nc2nc(SCC(C)C)nc(c3ccc(OC)cc3)c2C#N)cc1"	0	NA	NA	1	1	NA	""
"805939"	"805939"	"4-(Methoxycarbonyl)-1,3-dimethyl-5,8-dioxo-5,8-dihydrois..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=CC(=O)c12"	0	NA	NA	1	1	NA	""
"805953"	"805953"	"2-(3-(Diethylamino)propyl)-7-hydroxy-4,10-dimethyl-1H-be..."	"CCN(CC)CCCN1C(=O)c2c(C)c3oc4cc(O)ccc4c3c(C)c2C1=O"	0	NA	NA	1	1	NA	""
"805955"	"805955"	"2-(3-(Diethylamino)propyl)-8-hydroxy-4,10-dimethyl-1H-be..."	"CCN(CC)CCCN1C(=O)c2c(C)c3oc4ccc(O)cc4c3c(C)c2C1=O"	0	NA	NA	1	1	NA	""
"805956"	"805956"	"3-Bromo-6-hydroxy-12,13-dimethyl-12,13-dihydro-5H-indolo..."	"Cn1c2ccccc2c3c4C(=O)N(O)C(=O)c4c5c6cc(Br)ccc6n(C)c5c13"	0	NA	NA	2	2	NA	""
"805957"	"805957"	"(5,6,11-Trimethyl-6H-pyrido[4,3-b]carbazol-9-yl)methanol"	"Cc1c2cnccc2c(C)c3c1c4cc(CO)ccc4n3C"	0	NA	NA	2	2	NA	""
"805964"	"805964"	"5,6,7-Trimethoxy-2-(2-(piperidin-1-yl)ethyl)benzo[a]pyrr..."	"COc1cc2c3C(=O)N(CCN4CCCCC4)C(=O)c3c5c6ccccc6[nH]c5c2c(OC)c1OC"	0	NA	NA	2	1	NA	""
"806009"	"806009"	""	"Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc(c2)C(F)(F)F"	0	NA	NA	2	2	NA	""
"806010"	"806010"	""	"COc1ccc(cc1C#Cc2cnc3cccnn23)C(=O)Nc4ccc(CN5CCN(C)CC5)c(c4)C(F)(F)F"	0	NA	NA	1	1	NA	""
"806017"	"806017"	""	"CCNC(=O)N1CCc2c(Cl)c3OCCOc3c(OC)c2[C@@H]1[C@H]4OCc5c(OC)c(OC)ccc45"	0	NA	NA	1	1	NA	""
"806019"	"806019"	""	"COc1ccc2[C@H](OCc2c1OC)[C@@H]3N(CCc4cc5OCOc5c(OC)c34)S(=O)(=O)c6cn(C)cn6"	0	NA	NA	1	1	NA	""
"806026"	"806026"	""	"CN1CCN(CC1)c2ccc(NC(=O)c3nc4ccc5[nH]ncc5c4c6CCCCc36)cc2C(F)(F)F"	0	NA	NA	1	1	NA	""
"806027"	"806027"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"806028"	"806028"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"806029"	"806029"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)c5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"806030"	"806030"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4c(N)ncc5ccc(cc45)C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"806131"	"806131"	""	"COc1ccc(cc1)c2cc(nc(NCCCCNc3ccnc4cc(Cl)ccc34)n2)c5ccc(Cl)cc5"	0	NA	NA	1	1	NA	""
"806136"	"806136"	""	"COc1ccc(cc1)c2cc(nc(n2)N3CCN(CCNc4ccnc5cc(Cl)ccc45)CC3)c6ccccc6"	0	NA	NA	1	1	NA	""
"806190"	"806190"	""	"C[C@]12CC[C@H]3[C@@H](CC=C4c5nc(Nc6ccc(OC(F)(F)F)cc6)sc5CC[C@]34C)[C@@H]1CCC2=O"	0	NA	NA	1	1	NA	""
"806201"	"806201"	""	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)N(C)CC(=O)N(C)CCOCCOc12"	0	NA	NA	1	1	NA	""
"806202"	"806202"	""	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)NCCOCCOCCOc12"	0	NA	NA	1	1	NA	""
"806203"	"806203"	"2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbon..."	"COc1cccc(c1)C2C(=C(N)Oc3c2ccc4ccccc34)C#N"	0	NA	NA	2	2	NA	"149550572"
"806276"	"806276"	""	"COc1ccc(Nc2ncc(I)c(NCCCNC(=O)C3CCC3)n2)cc1"	0	NA	NA	1	1	NA	""
"806289"	"806289"	"2-iodo-N-(2-oxo-3-phenyl-2,5-dihydropyrano[3,2-c]chromen..."	"ICC(=O)NC1Oc2ccccc2C3=C1C=C(C(=O)O3)c4ccccc4"	0	NA	NA	1	1	NA	""
"806370"	"806370"	""	"Fc1cccc(Oc2ccc(NC(=O)c3cnccn3)cc2Cl)c1"	0	NA	NA	1	1	NA	""
"806376"	"806376"	""	"Clc1cccc(Oc2ccc(NC(=O)c3cnccn3)cc2Cl)c1"	0	NA	NA	2	2	NA	""
"806377"	"806377"	""	"Clc1cccc(Oc2ccc(NC(=O)c3cccnc3)cc2Cl)c1"	0	NA	NA	1	1	NA	""
"806387"	"806387"	"CYC-065"	"CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c3ncn(C(C)C)c3n1)[C@@H](C)O"	0	"PK:CDK"	"Clinical trial"	2	1	NA	"1070790894"
"806388"	"806388"	"E-7090"	"CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1622204210"
"806403"	"806403"	"3-chloro-2-methyl-N-(5-(4-(trifluoromethyl)benzoyl)-4,5,..."	"Cc1c(Cl)cccc1C(=O)Nc2nc3CCN(Cc3s2)C(=O)c4ccc(cc4)C(F)(F)F"	0	NA	NA	2	2	NA	""
"806405"	"806405"	"2-(3-chloro-2-methylbenzamido)-N-(3-(trifluoromethyl)phe..."	"Cc1c(Cl)cccc1C(=O)Nc2nc3CCN(Cc3s2)C(=O)Nc4cccc(c4)C(F)(F)F"	0	NA	NA	2	2	NA	""
"806408"	"806408"	"(S)-4-(((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)a..."	"C[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"806410"	"806410"	"(S)-5-((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)am..."	"CC[C@H](Nc1nc(N)nc(C)c1C#N)C2=Nc3cccc(NCCCCC(=O)NO)c3C(=O)N2c4ccccc4"	0	NA	NA	1	1	NA	""
"806467"	"806467"	"N-(5-methoxynaphthalen-2-yl)-N-methylquinazolin-4-amine"	"COc1cccc2cc(ccc12)N(C)c3ncnc4ccccc34"	0	NA	NA	2	2	NA	""
"806468"	"806468"	"((1aR,7aS,8R,10aS,10bS,E)-8-((dimethylamino)methyl)-1a-m..."	"CN(C)CC1[C@@H]2CC\C(=C/CC[C@@]3(C)O[C@H]3[C@H]2OC1=O)\COC(=O)NCc4ccc(CN5C(=O)SN(CCCI)C5=O)cc4"	0	NA	NA	1	1	NA	""
"806527"	"806527"	"(3a'R,6a'S)-3a'-(4-methoxybenzyl)-3'-methyl-6a'-(methyla..."	"CN[C@]12CC3(O[C@@]1(Cc4ccc(OC)cc4)N(C)C(=O)N2)C=CC(=O)C=C3"	0	NA	NA	1	1	NA	"813460810"
"806529"	"806529"	"N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-4-(4-meth..."	"CN1CCN(CC1)c2ccc(cc2C(F)(F)F)C(=O)Nc3cccc(c3)C#Cc4cccc5[nH]nc(N)c45"	0	NA	NA	2	2	NA	""
"806595"	"806595"	"PLX-51107"	"C[C@@H](c1ccccn1)n2cc(c3ccc(cc3)C(=O)O)c4ncc(cc24)c5c(C)onc5C"	0	""	"Clinical trial"	2	2	NA	"1627929558"
"806764"	"806764"	""	"Nc1nn(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(c4ccc(Cl)cc4)c1C#N"	0	NA	NA	1	1	NA	""
"806795"	"806795"	""	"COc1ccc(C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)c(C)c1"	0	NA	NA	1	1	NA	""
"806796"	"806796"	""	"COc1cc(C)c(C(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)c(C)c1"	0	NA	NA	1	1	NA	""
"806797"	"806797"	""	"COc1ccc(OC(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)cc1"	0	NA	NA	1	1	NA	""
"806798"	"806798"	""	"COc1ccc(NC(=O)O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@H]3[C@@H](O)COC(O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@H]4[C@H](C)C(=O)CCC(C)C)[C@@H]3OC(=O)C)cc1"	0	NA	NA	1	1	NA	""
"806812"	"806812"	"RG-6016"	"N[C@@H]1CC[C@H](CC1)N[C@@H]2C[C@H]2c3ccccc3"	0	""	"Clinical trial"	1	1	NA	"1431303728"
"806827"	"806827"	"3-Deoxo-3-homo-3-aza-lup-20(29)-en-3,28-acetoxy"	"CC(=C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCN(C(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12"	0	NA	NA	1	1	NA	""
"806835"	"806835"	"3-Dezoxo-3-homo-3-aza-olean-12(13)-en-28-O-tosylate"	"Cc1ccc(cc1)S(=O)(=O)OC[C@]23CCC(C)(C)C[C@H]2C4=CC[C@@H]5[C@@]6(C)CCCNC(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3"	0	NA	NA	1	1	NA	""
"806889"	"806889"	"3-oxo-[4-vinylpyridine]-olean-12(13)-en-28-morpholine amide"	"CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C\C(=C\c6ccncc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)N7CCOCC7"	0	NA	NA	1	1	NA	""
"806936"	"806936"	""	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"806966"	"806966"	""	"N=C(NC(=O)Nc1cccc2ccccc12)Nc3nc4ccccc4s3"	0	NA	NA	2	2	NA	""
"806967"	"806967"	""	"COc1ccccc1NC(=O)NC(=N)Nc2nc3ccccc3s2"	0	NA	NA	2	2	NA	""
"806989"	"806989"	""	"CCC(C)C1NC(=O)C(NC(=O)c2nc(oc2c3ccccc3)c4csc(n4)c5csc(n5)c6nc(oc6C)c7coc(CNC1=O)n7)C(C)CC"	0	NA	NA	2	2	NA	""
"807000"	"807000"	"N-(4-((6-((5-aminopyridin-2-yl)oxy)-7-methoxyquinolin-4-..."	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1Oc6ccc(N)cn6"	0	NA	NA	1	1	NA	""
"807003"	"807003"	"4-(4-(1-((4-fluorophenyl)carbamoyl)cyclopropane-1-carbox..."	"COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC(=O)c6ccc(N)cc6"	0	NA	NA	1	1	NA	""
"807024"	"807024"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"807025"	"807025"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4ccc(N)nc4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"807028"	"807028"	"Oximidine 189C"	"CO\N=C\C=C/C(=O)N\C=C\C[C@@H]1OC(=O)c2c(O)cccc2\C=C\C=C/[C@@H](O)\C=C\1"	0	NA	NA	2	2	NA	""
"807047"	"807047"	"LXH-254"	"Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1c3cc(OCCO)nc(c3)N4CCOCC4"	0	"PK:RAF"	"Clinical trial"	1	1	NA	"1800398382"
"807055"	"807055"	"AZD-5991"	"Cc1c2c(CSCc3cc(CSc4cc(OCCCc5c(C(=O)O)n(C)c6c2c(Cl)ccc56)c7ccccc7c4)n(C)n3)nn1C"	0	""	"Clinical trial"	1	1	NA	""
"807071"	"807071"	""	"CNCc1cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)CCOCCOCCOc12"	0	NA	NA	1	1	NA	""
"807081"	"807081"	""	"COC(=O)\C=C\c1cc(OC(=O)C)c2O[C@H]([C@H](C(=O)OC)c2c1)c3ccc(OC(=O)C)c(OC(=O)C)c3"	0	NA	NA	3	3	NA	""
"807121"	"807121"	"SCH79797"	"CC(C)c1ccc(Cn2ccc3c2ccc4nc(NC5CC5)nc(N)c34)cc1"	0	NA	NA	2	1	NA	"1216720692"
"807138"	"807138"	""	"Nc1c(nc(cc1c2ccc(Nc3nc(nc(n3)N4CCCCC4)N5CCCCC5)cc2)c6cccc(Br)c6)C#N"	0	NA	NA	1	1	NA	""
"807148"	"807148"	"fac-[Re(CO)3(2,9-dimethyl-1,10-phenanthroline)(para-toly..."	"[Re+]1(C#[OH])(C#[N]c2ccc(cc2)C)(C#[OH])(C#[OH])[n]2c(ccc3c2c2[n]1c(ccc2cc3)C)C"	0	NA	NA	1	1	NA	""
"807317"	"807317"	"coppper, iron, taxol, chloride"	"CC1=C2C(C(=[O][Fe+2])C3(C(C(C(CC1OC(=[O][Fe+2])C(C([N-](C(=O)c1ccccc1)[Cu+])c1ccccc1)[O-][Cu+])(C2(C)C)[O-][Cu+])OC(=[O][Fe+2])c1ccccc1)C1(C(CC3[O-][Cu+])OC1)[O](C(=[O][Fe+])C)[Cu+])C)OC(=[O][Fe+2])C"	0	NA	NA	2	2	NA	""
"807322"	"807322"	"(S)-4-(((2-(1-((2,6-diamino-5-chloropyrimidin-4-yl)amino..."	"CC[C@H](Nc1nc(N)nc(N)c1Cl)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"807342"	"807342"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"807343"	"807343"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(F)c(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"807344"	"807344"	""	"CN1CCN(Cc2ccc(NC(=O)c3cccc(C#Cc4cnc(N)c5ncccc45)c3F)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"807347"	"807347"	""	"COc1c(cccc1c2nc3ccc4[nH]ncc4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	NA	""
"807352"	"807352"	""	"Oc1c(ccc2cncnc12)C(N3CCCCC3)c4ccc(F)cc4"	0	NA	NA	2	1	NA	""
"807353"	"807353"	""	"CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc2ccc(Cl)c3cccnc23"	0	NA	NA	1	1	NA	""
"807398"	"807398"	"INCB-057643"	"CN1C=C(c2cc(cc3N(C)C(=O)C(C)(C)Oc23)S(=O)(=O)C)c4cc[nH]c4C1=O"	0	""	"Clinical trial"	1	1	NA	"1820889233"
"807408"	"807408"	"Dovitinib lactate"	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O"	0	NA	NA	2	2	NA	"915769505"
"807438"	"807438"	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 1H-indole-2-..."	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)c3cc4ccccc4[nH]3)nc12"	0	NA	NA	2	1	NA	""
"807440"	"807440"	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H..."	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3"	0	NA	NA	1	1	NA	""
"807442"	"807442"	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl 1H-indole-2-c..."	"Oc1c(Br)cc(Br)c2ccc(COC(=O)c3cc4ccccc4[nH]3)nc12"	0	NA	NA	2	1	NA	""
"807444"	"807444"	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H-..."	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4c(Br)cc(Br)c(O)c4n3"	0	NA	NA	2	1	NA	""
"807445"	"807445"	"(8-hydroxyquinolin-2-yl)methyl 5-methoxy-1H-indole-2-car..."	"COc1ccc2[nH]c(cc2c1)C(=O)OCc3ccc4cccc(O)c4n3"	0	NA	NA	1	1	NA	""
"807564"	"807564"	"5-fluoro-1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,2,5-ox..."	"Cn1cc(c2nonc2c3cn(C)c4ccc(F)cc34)c5ccccc15"	0	NA	NA	2	2	NA	""
"807579"	"807579"	""	"COc1cc(ccc1O)c2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2"	0	NA	NA	2	2	NA	""
"807580"	"807580"	""	"Oc1ccc(cc1)c2ccc3\C(=C\c4ccc[nH]4)\C(=O)Nc3c2"	0	NA	NA	2	2	NA	""
"807620"	"807620"	"N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-(morpholin-4-y..."	"COc1ccc(cc1)c2cc(Nc3ccnc(n3)N4CCOCC4)on2"	0	NA	NA	2	2	NA	""
"807626"	"807626"	"JNJ-3887618"	"FC(F)(c1ccc2ncccc2c1)c3nnc4ccc(nn34)c5ccncc5"	0	""	"Clinical trial"	1	1	NA	"943540747"
"807759"	"807759"	""	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)ccc45)[C@](O)([C@@H]2OC(=O)CCCC[P+](c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC"	0	NA	NA	2	2	NA	""
"808262"	"808262"	""	"COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)S(=O)(=O)N4CCCCC4"	0	NA	NA	1	1	NA	""
"808264"	"808264"	""	"Cc1[nH]c(c2CCCCC(=O)c12)c3cc(N)ccc3Cl"	0	NA	NA	1	1	NA	""
"808296"	"808296"	""	"Cc1ccc2c(C(C[N+](=O)[O-])c3ccccc3)c([nH]c2c1)c4ccccc4"	0	NA	NA	1	1	NA	""
"808304"	"808304"	""	"Cc1ccc2c(C(C[N+](=O)[O-])c3occc3)c([nH]c2c1)c4ccccc4"	0	NA	NA	1	1	NA	""
"808307"	"808307"	""	"CC(C)C(O)(CCC(C)(C)C(=O)OC1(CCC(=CC1)C)C(C)C)C(=O)OC2(CCC3(C)OC3C2)C(C)C"	0	NA	NA	2	2	NA	""
"808312"	"808312"	""	"COc1ccc(cc1)C2CC(=NN2\C=C\3/SC(=S)N(NC(=O)Cc4ccccc4Nc5c(Cl)cccc5Cl)C3=O)c6ccc7ccccc7c6"	0	NA	NA	2	2	NA	""
"808313"	"808313"	""	"CCN1C(=S)S\C(=C/NNC(=O)C(C)c2ccc(CC(C)C)cc2)\C1=O"	0	NA	NA	2	2	NA	""
"808314"	"808314"	""	"O=C1SC2=Cc3c(OC2=N1)ccc4ccccc34"	0	NA	NA	2	2	NA	""
"808318"	"808318"	""	"COC(=O)c1[nH]c2ccc(F)cc2c1\C=C\3/SC(=S)NC3=O"	0	NA	NA	2	2	NA	""
"808331"	"808331"	""	"O=C1NC(=S)N/C/1=N/Nc2cccc3C(=O)c4ccccc4C(=O)c23"	0	NA	NA	2	2	NA	""
"808338"	"808338"	""	"Oc1ccccc1C2CC(=NN2\C=C\3/SC(=S)N(C3=O)c4cccnc4)c5ccc6ccccc6c5"	0	NA	NA	1	1	NA	""
"808473"	"808473"	""	"Cc1nc(Nc2ccccn2)sc1C(=O)\C=C\c3ccc(Cl)cc3"	0	NA	NA	2	2	NA	""
"808507"	"808507"	"PF-6459988"	"Nc1nc2cc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n4ccc5c(N)ncnc45)ccc2cc1Br"	0	"PRMT5|PK:EGFR"	"Clinical trial"	1	1	NA	"2086772269"
"808547"	"808547"	""	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCc6ccc(cc6)B(O)O)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"808548"	"808548"	""	"Brc1cnc(Nc2cccc(CNC(=O)C=C)c2)nc1NCCCNC(=O)C3CCC3"	0	NA	NA	2	2	NA	""
"808549"	"808549"	""	"Brc1cnc(Nc2cccc(OCCNC(=O)C=C)c2)cc1NCCCNC(=O)C3CCC3"	0	NA	NA	1	1	NA	""
"808551"	"808551"	""	"C=CC(=O)Nc1ccc(Nc2nccc(n2)c3ccc(N4CCCC4)c(c3)C#N)cc1"	0	NA	NA	1	1	NA	""
"808552"	"808552"	""	"ClCC(=O)Nc1ccc(Nc2nccc(n2)c3ccc(N4CCCC4)c(c3)C#N)cc1"	0	NA	NA	1	1	NA	""
"808575"	"808575"	""	"O=C(Nc1ncc(Cc2ccccc2)s1)c3ccc4OCCOc4c3"	0	NA	NA	2	2	NA	""
"808576"	"808576"	""	"Clc1ccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)cc1"	0	NA	NA	2	2	NA	""
"808577"	"808577"	""	"FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)c1"	0	NA	NA	2	2	NA	""
"808578"	"808578"	""	"Clc1ccccc1Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2"	0	NA	NA	2	2	NA	""
"808579"	"808579"	""	"COc1ccc(Cc2cnc(NC(=O)c3ccc4OCCOc4c3)s2)cc1"	0	NA	NA	2	2	NA	""
"808580"	"808580"	""	"CC(C)c1ccc(Cc2cnc(NC(=O)c3cc(Br)cs3)s2)cc1"	0	NA	NA	1	1	NA	""
"808683"	"808683"	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl (4-((2-butyl-..."	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)OCc3ccc4c(Br)cc(Br)c(O)c4n3)cc2)C1=O"	0	NA	NA	2	2	NA	""
"808685"	"808685"	"(5,7-dibromo-8-hydroxyquinolin-2-yl)methyl (4-((3,5-diox..."	"Oc1c(Br)cc(Br)c2ccc(COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)nc12"	0	NA	NA	2	1	NA	""
"808686"	"808686"	"(8-hydroxyquinolin-2-yl)methyl (4-((3,5-dioxo-2-pentyl-1..."	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)OCc3ccc4cccc(O)c4n3)cc2)C1=O"	0	NA	NA	1	1	NA	""
"808687"	"808687"	"(8-hydroxyquinolin-2-yl)methyl (4-((3,5-dioxo-2-phenyl-1..."	"Oc1cccc2ccc(COC(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccccc5)cc3)nc12"	0	NA	NA	2	1	NA	""
"808688"	"808688"	"N-(4-((3,5-dioxo-2-pentyl-1,2,4-thiadiazolidin-4-yl)meth..."	"CCCCCN1SC(=O)N(Cc2ccc(CNC(=O)C(C)c3ccc(CC(C)C)cc3)cc2)C1=O"	0	NA	NA	2	1	NA	""
"808689"	"808689"	"N-(4-((2-(3-chloropropyl)-3,5-dioxo-1,2,4-thiadiazolidin..."	"CC(C)Cc1ccc(cc1)C(C)C(=O)NCc2ccc(CN3C(=O)SN(CCCCl)C3=O)cc2"	0	NA	NA	1	1	NA	""
"808690"	"808690"	"N-(4-((2-(3-iodopropyl)-3,5-dioxo-1,2,4-thiadiazolidin-4..."	"CC(C)Cc1ccc(cc1)C(C)C(=O)NCc2ccc(CN3C(=O)SN(CCCI)C3=O)cc2"	0	NA	NA	2	1	NA	""
"808715"	"808715"	""	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(Cc5ccc6ccccc6c5O)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	NA	""
"808716"	"808716"	""	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(Cc5c(O)ccc6ccccc56)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	NA	""
"808754"	"808754"	""	"CC(C)n1cc(\C=N/N=C\2/C(=O)Nc3ccc(C)cc23)c4ccccc14"	0	NA	NA	1	1	NA	""
"808789"	"808789"	"RG-7741"	"N[C@@H]1CCCN(C1)c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23"	0	""	"Clinical trial"	2	2	NA	"1196541475"
"808790"	"808790"	"AZD-0364"	"COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3)c4nc(Nc5ccnn5C)ncc4C"	0	"PK:ERK"	"Clinical trial"	2	2	NA	"2097416765"
"808792"	"808792"	"CC-90003"	"COc1cc(Nc2ncc(c(Nc3ccc(C)cc3NC(=O)C=C)n2)C(F)(F)F)c(C)cn1"	0	"PK:ERK"	"Clinical trial"	2	2	NA	"1621999823"
"808851"	"808851"	""	"Clc1ccc(cc1)C(=O)n2cc(CNc3ccc(cc3)N4CCOCC4=O)c5ccccc25"	0	NA	NA	1	1	NA	""
"808852"	"808852"	""	"Fc1ccc(Cn2cc(CNc3ccc(cc3)N4CCOCC4=O)c5ccccc25)cc1"	0	NA	NA	2	2	NA	""
"808861"	"808861"	""	"CC(=O)C1=C(Nc2cccc(F)c2)Nc3c(Cl)cc(Cl)c(Cl)c3C1=O"	0	NA	NA	2	1	NA	""
"808866"	"808866"	""	"C[C@]1(O)CC(=O)[C@]2(O)C3=C(C=C[C@]2(O)C1)C(=O)c4c(O)cccc4C3=O"	0	NA	NA	1	1	NA	""
"808995"	"808995"	""	"Clc1ccc(Cc2cnc(NC(=O)\C(=C\c3oc(cc3)c4ccc(Cl)cc4)\C#N)s2)cc1"	0	NA	NA	1	1	NA	""
"808997"	"808997"	""	"Clc1ccccc1Cc2cnc(NC(=O)\C(=C\c3cn(Cc4ccccc4)c5ccccc35)\C#N)s2"	0	NA	NA	1	1	NA	""
"809016"	"809016"	""	"Cc1cc(C(=O)Nc2ncc(Cc3cccc(c3)C(F)(F)F)s2)c4ccccc4n1"	0	NA	NA	1	1	NA	""
"809043"	"809043"	""	"CC1CCCc2sc3N=C(NNC(=O)c4cnccn4)N(C(=O)c3c12)c5ccccc5"	0	NA	NA	2	2	NA	""
"809045"	"809045"	""	"CC1CCCc2sc3N=C(NNC(=O)c4cnc(C)cn4)NC(=O)c3c12"	0	NA	NA	1	1	NA	""
"809046"	"809046"	""	"Cc1cnc(cn1)C(=O)Nc2cccc3ccc(nc23)N4CCN(CC4)C(=O)C=C"	0	NA	NA	1	1	NA	""
"809047"	"809047"	""	"CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc2cc(F)cc3cccnc23"	0	NA	NA	1	1	NA	""
"809100"	"809100"	"RG-7112"	"CCOc1cc(ccc1C2=N[C@@](C)(c3ccc(Cl)cc3)[C@](C)(N2C(=O)N4CCN(CCCS(=O)(=O)C)CC4)c5ccc(Cl)cc5)C(C)(C)C"	0	"MDM2"	"Clinical trial"	1	1	NA	"939981392"
"809104"	"809104"	""	"O=C(OC[C@@H]1CO1)c2cccc3C(=O)c4ccccc4Nc23"	0	NA	NA	2	2	NA	""
"809139"	"809139"	"bis((5,7-dichloro-8-hydroxyquinolin-2-yl)methyl) butane-..."	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	1	1	NA	""
"809140"	"809140"	"bis((5,7-dichloro-8-hydroxyquinolin-2-yl)methyl) hexane-..."	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	2	1	NA	""
"809141"	"809141"	"bis((5,7-dichloro-8-hydroxyquinolin-2-yl)methyl) heptane..."	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)NCCCCCCCNC(=O)OCc3ccc4c(Cl)cc(Cl)c(O)c4n3)nc12"	0	NA	NA	2	1	NA	""
"809147"	"809147"	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 4-(5-methoxy..."	"COc1ccc2[nH]c(cc2c1)C(=O)N3CCN(CC3)C(=O)OCc4ccc5c(Cl)cc(Cl)c(O)c5n4"	0	NA	NA	1	1	NA	""
"809151"	"809151"	"(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl 4-(5-fluoro-..."	"Oc1c(Cl)cc(Cl)c2ccc(COC(=O)N3CCN(CC3)C(=O)c4cc5cc(F)ccc5[nH]4)nc12"	0	NA	NA	2	2	NA	""
"809153"	"809153"	"(8-hydroxyquinolin-2-yl)methyl 4-(5-fluoro-1H-indole-2-c..."	"Oc1cccc2ccc(COC(=O)N3CCN(CC3)C(=O)c4cc5cc(F)ccc5[nH]4)nc12"	0	NA	NA	1	1	NA	""
"809187"	"809187"	""	"CCc1oc(CCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1"	0	NA	NA	2	2	NA	""
"809188"	"809188"	""	"CCc1oc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1"	0	NA	NA	1	1	NA	""
"809191"	"809191"	""	"Clc1c(sc2ccccc12)C(=O)Nc3ncc(Cc4ccccc4)s3"	0	NA	NA	2	2	NA	""
"809192"	"809192"	""	"COc1ccc(Cc2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1"	0	NA	NA	2	2	NA	""
"809196"	"809196"	""	"O=C(Nc1ncc(Cc2ccccc2)s1)\C=C\c3ccccc3"	0	NA	NA	2	2	NA	""
"809199"	"809199"	""	"Clc1ccc(Cl)c(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	NA	""
"809200"	"809200"	""	"FC(F)(F)c1cccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	NA	""
"809201"	"809201"	""	"Cc1cccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)c1"	0	NA	NA	2	2	NA	""
"809202"	"809202"	""	"Fc1ccc(Cc2cnc(NC(=O)\C=C\c3occc3)s2)cc1"	0	NA	NA	2	2	NA	""
"809312"	"809312"	""	"CN(C)c1ccc(Nc2cc(nc3ccc(cc23)N4CCCC4)c5cccc(OC(F)(F)F)c5)cc1"	0	NA	NA	1	1	NA	""
"809318"	"809318"	"N,N,N-trimethyl-2-(2-(2-(octadecyloxy)phenyl)acetoxy)eth..."	"CCCCCCCCCCCCCCCCCCOc1ccccc1CC(=O)OCC[N+](C)(C)C"	0	NA	NA	1	1	NA	""
"809475"	"809475"	""	"Clc1ccc(NC2=C(I)C(=O)c3ncccc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"809476"	"809476"	""	"Brc1ccc(NC2=C(I)C(=O)c3ncccc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"809540"	"809540"	""	"Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)c1"	0	NA	NA	1	1	NA	""
"809548"	"809548"	""	"CC1CCc2c(C1)scc2C(=O)Nc3ncc(Cc4cccc(c4)[N+](=O)[O-])s3"	0	NA	NA	2	2	NA	""
"809550"	"809550"	""	"Fc1ccccc1Cc2cnc(NC(=O)\C=C\c3cccs3)s2"	0	NA	NA	2	2	NA	""
"809644"	"809644"	""	"CN1CCN(CC1)c2ccc(NC(=O)c3cncnc3Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)cc2"	0	NA	NA	1	1	NA	""
"809671"	"809671"	"(E)-6-hydroxy-3-(4-(trifluoromethyl)benzylidene)chroman-..."	"Oc1ccc2OC\C(=C/c3ccc(cc3)C(F)(F)F)\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809674"	"809674"	"(E)-3-(4-chlorobenzylidene)-6-hydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809676"	"809676"	"(E)-3-(3-bromobenzylidene)-6-hydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3cccc(Br)c3)\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809678"	"809678"	"(E)-6-hydroxy-3-(2-nitrobenzylidene)chroman-4-one"	"Oc1ccc2OC\C(=C/c3ccccc3[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809679"	"809679"	"(E)-6-hydroxy-3-(3-nitrobenzylidene)chroman-4-one"	"Oc1ccc2OC\C(=C/c3cccc(c3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809680"	"809680"	"(E)-6-hydroxy-3-(4-nitrobenzylidene)chroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)c2c1"	0	NA	NA	1	1	NA	""
"809681"	"809681"	"(E)-5,6-dihydroxy-3-(2-methoxybenzylidene)chroman-4-one"	"COc1ccccc1\C=C\2/COc3ccc(O)c(O)c3C2=O"	0	NA	NA	1	1	NA	""
"809682"	"809682"	"(E)-5,6-dihydroxy-3-(3-methoxybenzylidene)chroman-4-one"	"COc1cccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	NA	""
"809683"	"809683"	"(E)-5,6-dihydroxy-3-(4-methylbenzylidene)chroman-4-one"	"Cc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	2	2	NA	""
"809684"	"809684"	"(E)-5,6-dihydroxy-3-(2,3,4-trimethoxybenzylidene)chroman..."	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c(OC)c1OC"	0	NA	NA	1	1	NA	""
"809685"	"809685"	"(E)-3-(4-fluorobenzylidene)-5,6-dihydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(F)cc3)\C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"809686"	"809686"	"(E)-5,6-dihydroxy-3-(4-methoxybenzylidene)chroman-4-one"	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	2	2	NA	""
"809687"	"809687"	"(E)-3-(4-chlorobenzylidene)-5,6-dihydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(Cl)cc3)\C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"809688"	"809688"	"(E)-3-(2-bromobenzylidene)-5,6-dihydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3ccccc3Br)\C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"809690"	"809690"	"(E)-3-(4-bromobenzylidene)-5,6-dihydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(Br)cc3)\C(=O)c2c1O"	0	NA	NA	2	2	NA	""
"809691"	"809691"	"(E)-3-(3-bromobenzylidene)-5,6-dihydroxychroman-4-one"	"Oc1ccc2OC\C(=C/c3cccc(Br)c3)\C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"809693"	"809693"	"Copanlisib"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	"PK:PIK3"	"FDA approved"	2	2	NA	"1032568630"
"809694"	"809694"	"BOS-172722"	"CCOc1cc(ccc1Nc2ncc3cc(C)nc(NCC(C)(C)C)c3n2)c4nncn4C"	0	""	"Clinical trial"	2	2	NA	"1578245449"
"809697"	"809697"	"2-(4-((4-((3-cyclopropyl-1H-pyrazol-5-yl)amino)-6-(4-met..."	"CN1CCN(CC1)c2cc(Nc3cc(n[nH]3)C4CC4)nc(Nc5ccc(CC(=O)NCc6cccc(F)c6)cc5)n2"	0	NA	NA	2	2	NA	""
"809699"	"809699"	"N-(5-(tert-butyl)isoxazol-3-yl)-2-(4-(6-(1-(2-morpholino..."	"CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)c3cnc4cc(ccc4n3)c5cnn(CCN6CCOCC6)c5)c1"	0	NA	NA	2	2	NA	""
"809747"	"809747"	""	"Cc1oc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1"	0	NA	NA	2	2	NA	""
"809748"	"809748"	""	"CCc1oc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1"	0	NA	NA	1	1	NA	""
"809813"	"809813"	"(Z)-1,3-diethyl-7-(2-oxo-1-phenethylindolin-3-ylidene)-1..."	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CCc5ccccc5)c6ccccc46)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809815"	"809815"	"1,3-diethyl-5-(ethylthio)-6-((E)-((E)-3-(2-nitrophenyl)a..."	"CCSC1=NC2C(N(CC)C(=O)N2CC)N1\N=C\C=C\c3ccccc3[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"809823"	"809823"	"3-ethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)..."	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3OC)N(C1=S)c4ccccc4"	0	NA	NA	2	2	NA	""
"809837"	"809837"	"(Z)-1,3-diethyl-7-(4-(trifluoromethyl)benzylidene)-1,3a,..."	"CCN1C2NN=C3S\C(=C/c4ccc(cc4)C(F)(F)F)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809838"	"809838"	"(Z)-7-benzylidene-1,3-diethyl-1,3a,4,9a-tetrahydroimidaz..."	"CCN1C2NN=C3S\C(=C/c4ccccc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809839"	"809839"	"(Z)-1,3-diethyl-7-(4-nitrobenzylidene)-1,3a,4,9a-tetrahy..."	"CCN1C2NN=C3S\C(=C/c4ccc(cc4)[N+](=O)[O-])\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809840"	"809840"	"(Z)-1,3-diethyl-7-(3-nitrobenzylidene)-1,3a,4,9a-tetrahy..."	"CCN1C2NN=C3S\C(=C/c4cccc(c4)[N+](=O)[O-])\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809841"	"809841"	"(Z)-7-(2,4-dichlorobenzylidene)-1,3-diethyl-1,3a,4,9a-te..."	"CCN1C2NN=C3S\C(=C/c4ccc(Cl)cc4Cl)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809843"	"809843"	"(Z)-1,3-diethyl-7-(4-fluorobenzylidene)-1,3a,4,9a-tetrah..."	"CCN1C2NN=C3S\C(=C/c4ccc(F)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809844"	"809844"	"(Z)-1,3-diethyl-7-(4-methoxybenzylidene)-1,3a,4,9a-tetra..."	"CCN1C2NN=C3S\C(=C/c4ccc(OC)cc4)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809855"	"809855"	"3-ethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)..."	"CCN1C2C(NC(=S)N2\N=C\C=C\c3ccccc3OC)N(C1=O)c4ccccc4"	0	NA	NA	2	2	NA	""
"809856"	"809856"	"1,3-diethyl-4-((E)-((E)-3-phenylallylidene)amino)tetrahy..."	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3)C2N(CC)C1=S"	0	NA	NA	1	1	NA	""
"809857"	"809857"	"1,3-diethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)am..."	"CCN1C2NC(=S)N(\N=C\C=C\c3ccccc3OC)C2N(CC)C1=S"	0	NA	NA	2	2	NA	""
"809858"	"809858"	"(Z)-6-(2-bromobenzylidene)-1,3-diethyl-3,3a,9,9a-tetrahy..."	"CCN1C2NN3C(=NC2N(CC)C1=O)S\C(=C/c4ccccc4Br)\C3=O"	0	NA	NA	1	1	NA	""
"809864"	"809864"	"1,3-diethyl-4-((E)-((E)-3-(thiophen-2-yl)allylidene)amin..."	"CCN1C2NC(=S)N(\N=C\C=C\c3cccs3)C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809870"	"809870"	"(Z)-7-(2-bromobenzylidene)-1,3-diethyl-1,3a,4,9a-tetrahy..."	"CCN1C2NN=C3S\C(=C/c4ccccc4Br)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809872"	"809872"	"(Z)-1,3-diethyl-7-(2-oxo-1-propylindolin-3-ylidene)-1,3a..."	"CCCN1C(=O)\C(=C\2/SC3=NNC4C(N(CC)C(=O)N4CC)N3C2=O)\c5ccccc15"	0	NA	NA	2	2	NA	""
"809877"	"809877"	"(Z)-1,3-diethyl-7-(1-isobutyl-2-oxoindolin-3-ylidene)-1,..."	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CC(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	2	2	NA	""
"809878"	"809878"	"(Z)-1,3-diethyl-7-(1-isopentyl-2-oxoindolin-3-ylidene)-1..."	"CCN1C2NN=C3S\C(=C\4/C(=O)N(CCC(C)C)c5ccccc45)\C(=O)N3C2N(CC)C1=O"	0	NA	NA	1	1	NA	""
"809940"	"809940"	"4-((E)-((E)-3-(2-methoxyphenyl)allylidene)amino)-1,3-dip..."	"C1(=S)N(C2C(N(C(=O)N2CCC)CCC)N1)/N=C/C=C/c1c(cccc1)OC"	0	NA	NA	2	2	NA	""
"809943"	"809943"	"(Z)-7-(2-fluorobenzylidene)-1,3-dimethyl-1,3a,4,9a-tetra..."	"O=C1N(C2C(N1C)NN=c1n2c(=O)/c(=C/c2c(cccc2)F)s1)C"	0	NA	NA	2	2	NA	""
"809944"	"809944"	"(Z)-7-(4-fluorobenzylidene)-1,3-dimethyl-1,3a,4,9a-tetra..."	"O=C1N(C2C(N1C)NN=c1n2c(=O)/c(=C/c2ccc(cc2)F)s1)C"	0	NA	NA	1	1	NA	""
"809946"	"809946"	"(Z)-7-((1H-pyrrol-2-yl)methylene)-1,3-diethyl-1,3a,4,9a-..."	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2ccc[nH]2)s1)CC"	0	NA	NA	2	2	NA	""
"809947"	"809947"	"(Z)-7-((1H-indol-2-yl)methylene)-1,3-diethyl-1,3a,4,9a-t..."	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2cc3c(cccc3)[nH]2)s1)CC"	0	NA	NA	2	2	NA	""
"809948"	"809948"	"(Z)-7-((1,2-dimethyl-1H-imidazol-5-yl)methylene)-1,3-die..."	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2cnc(n2C)C)s1)CC"	0	NA	NA	1	1	NA	""
"809960"	"809960"	"(Z)-1,3-diethyl-6-(1-methyl-2-oxoindolin-3-ylidene)-3,3a..."	"O=C1N(C2C(N1CC)Nn1c(=N2)s/c(=C2\C(=O)N(c3c2cccc3)C)c1=O)CC"	0	NA	NA	1	1	NA	""
"809964"	"809964"	"(Z)-1,3-diethyl-7-(thiophen-2-ylmethylene)-1,3a,4,9a-tet..."	"O=C1N(C2C(N1CC)NN=c1n2c(=O)/c(=C/c2sccc2)s1)CC"	0	NA	NA	2	2	NA	""
"809970"	"809970"	"LOXO-195"	"C[C@@H]1CCc2ncc(F)cc2[C@H]3CCCN3c4ccn5ncc(C(=O)N1)c5n4"	0	""	"Clinical trial"	1	1	NA	"2097002612"
"809971"	"809971"	"S-64315"	"COc1ccccc1c2nccc(COc3ccccc3C[C@@H](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(=O)O)n2"	0	""	"Clinical trial"	2	2	NA	""
"809972"	"809972"	"IACS-10759"	"Cc1nc(nn1Cc2cccc(c2)N3CCC(CC3)S(=O)(=O)C)c4onc(n4)c5ccc(OC(F)(F)F)cc5"	0	""	"Clinical trial"	2	2	NA	"1570496342"
"809973"	"809973"	"BAY-2402234"	"CCN1C(=NN(C1=O)c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)CO"	0	"DHODH"	"Clinical trial"	2	2	NA	""
"809975"	"809975"	""	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)OCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"809976"	"809976"	""	"CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)NCc6ccc(cc6)B7OC(C)(C)C(C)(C)O7)cc15)[C@@](O)(CC)C(=O)OC4"	0	NA	NA	2	2	NA	""
"809994"	"809994"	""	"NC1=C(C#N)C(c2ccccc2Cl)c3ccc4ccccc4c3O1"	0	NA	NA	2	2	NA	""
"810082"	"810082"	""	"ClCC(=O)Nc1cccc(NC(=O)Nc2cccc(c2)C#C)c1"	0	NA	NA	1	1	NA	""
"810107"	"810107"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4cnc(N)cc4C#N)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"810108"	"810108"	""	"CN1CCN(Cc2ccc(NC(=O)c3cnc(C)c(c3)C#Cc4ccc(N)nc4)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"810153"	"810153"	"3-oxo-2,22-di[3-vinylpyridine]-17,20-epoxy-ursan"	"C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)C\C(=C\c6cccnc6)\C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]27CO[C@]1(C)[C@H](C7)C(=O)\C=C/c8cccnc8"	0	NA	NA	2	1	NA	""
"810176"	"810176"	""	"CCCCCCCOc1c(OC)cc(cc1OC)C2CC(=O)Nc3c2c(C)nn3c4nc5ccccc5[nH]4"	0	NA	NA	1	1	NA	""
"810180"	"810180"	""	"COc1ccc(cc1)c2n[nH]cc2c3cc4NC(=O)COc4c(OC)c3"	0	NA	NA	2	2	NA	""
"810183"	"810183"	""	"COc1ccc(cc1)c2conc2c3ccccc3"	0	NA	NA	2	2	NA	""
"810191"	"810191"	""	"COc1cc(CCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c(OC)c5OCOc15"	0	NA	NA	1	1	NA	""
"810196"	"810196"	""	"COc1c(CCC[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc5OCOc5c1OC"	0	NA	NA	1	1	NA	""
"810224"	"810224"	""	"COc1cc(cc(OC)c1OC)C(=O)\C=C\c2ccc(OCCCCCC[P+](c3ccccc3)(c4ccccc4)c5ccccc5)cc2"	0	NA	NA	2	2	NA	""
"810309"	"810309"	"N-(5-(tert-butyl)isoxazol-3-yl)-2-(4-((6-(1-methyl-1H-py..."	"Cn1cc(cn1)c2cc3c(Nc4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4)ncnc3[nH]2"	0	NA	NA	2	2	NA	""
"810311"	"810311"	"N-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-2-(4-(7-(1-m..."	"Cn1cc(cn1)c2ccc3cc(cnc3c2)c4ccc(CC(=O)Nc5cc(nn5C)C(C)(C)C)cc4"	0	NA	NA	2	2	NA	""
"810312"	"810312"	"N-(5-(tert-butyl)isoxazol-3-yl)-2-(4-(7-(1-methyl-1H-pyr..."	"Cn1cc(cn1)c2ccc3cc(cnc3c2)c4ccc(CC(=O)Nc5cc(on5)C(C)(C)C)cc4"	0	NA	NA	1	1	NA	""
"810314"	"810314"	"1-(3-fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)qu..."	"Cn1cc(cn1)c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2"	0	NA	NA	1	1	NA	""
"810341"	"810341"	"PF-6459988"	"CO[C@H]1CN(C[C@@H]1COc2nc(Nc3cnn(C)c3)nc4[nH]cc(Cl)c24)C(=O)C=C"	0	"PRMT5|PK:EGFR"	"Clinical trial"	1	1	NA	"1428774451"
"810423"	"810423"	"1 alpha, 25-dihydroxyvitamin D3-3-bromoacetate"	"C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](C[C@H](O)C3=C)OC(=O)CBr)\CCC[C@]12C"	0	NA	NA	2	2	NA	""
"810439"	"810439"	""	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)cc1"	0	NA	NA	1	1	NA	""
"810442"	"810442"	""	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	1	1	NA	""
"810443"	"810443"	""	"Cc1nc2sc(C(=O)Nc3cccc(Br)c3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	1	NA	""
"810444"	"810444"	""	"Cc1nc2sc(C(=O)Nc3cccc(Cl)c3C)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	NA	""
"810445"	"810445"	""	"Cc1nc2sc(C(=O)Nc3cccc(Br)c3C)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	NA	""
"810446"	"810446"	""	"COc1cccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)c1"	0	NA	NA	2	2	NA	""
"810447"	"810447"	""	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(O)c5ccccc5"	0	NA	NA	2	2	NA	""
"810448"	"810448"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4"	0	NA	NA	1	1	NA	""
"810511"	"810511"	""	"Brc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	1	1	NA	""
"810513"	"810513"	""	"Clc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	2	2	NA	""
"810517"	"810517"	""	"O=S(=O)(Nc1ccc2ccccc2c1)c3ccc(cc3)c4oc(nc4)C5CC5"	0	NA	NA	1	1	NA	""
"810520"	"810520"	""	"FC(F)(F)c1cc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)ccc1Cl"	0	NA	NA	2	1	NA	""
"810524"	"810524"	""	"Clc1ccc2CCN(c2c1)c3ncnc4ccc(cc34)c5cnc6[nH]ncc6c5"	0	NA	NA	2	2	NA	""
"810557"	"810557"	"7-((4-Methoxybenzyl)amino)-4-(methoxycarbonyl)-1,3-dimet..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(OC)cc3"	0	NA	NA	1	1	NA	""
"810560"	"810560"	"7-((3-Chlorobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimeth..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3cccc(Cl)c3"	0	NA	NA	1	1	NA	""
"810561"	"810561"	"7-((4-Fluorobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimeth..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"810562"	"810562"	"7-((3-Chloro-4-fluorobenzyl)amino)-4-(methoxycarbonyl)-1..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)c(Cl)c3"	0	NA	NA	1	1	NA	""
"810563"	"810563"	"4-(Methoxycarbonyl)-3-methyl-5,8-dioxo-5,8-dihydroisoqui..."	"COC(=O)c1c(C)[n+]([O-])cc2C(=O)C=CC(=O)c12"	0	NA	NA	1	1	NA	""
"810698"	"810698"	""	"COc1ccc(\C=C\C(=O)c2ccc(cc2)n3cc(CN4CCN(CC4)c5cc6N(C=C(C(=O)O)C(=O)c6cc5F)C7CC7)nn3)cc1OC"	0	NA	NA	1	1	NA	""
"810715"	"810715"	"N-(5-((3-(9H-purin-6-yl)pyridin-2-yl)amino)-2-fluorophen..."	"CC(C)(C#N)c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	2	2	NA	""
"810716"	"810716"	"N-(5-((3-(9H-purin-6-yl)pyridin-2-yl)amino)-2-fluorophen..."	"Cc1cc(cc(c1)C(C)(C)C#N)C(=O)Nc2cc(Nc3ncccc3c4ncnc5[nH]cnc45)ccc2F"	0	NA	NA	2	2	NA	""
"810717"	"810717"	"CG-806"	"Cc1cnc([nH]1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5cccc(c5)C(F)(F)F)cc4F"	0	"PK:BTK"	"Clinical trial"	2	2	NA	""
"810734"	"810734"	""	"Cc1nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c2cc1C(=O)c5ccccc5"	0	NA	NA	1	1	NA	""
"810735"	"810735"	""	"Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2cc1C(O)c4ccccc4"	0	NA	NA	2	2	NA	""
"810736"	"810736"	""	"Cc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccccc4)cc1"	0	NA	NA	2	1	NA	""
"811013"	"811013"	""	"C[Se]C(=O)CC1=C2C=C(F)C=CC2\C(=C/c3ccc(cc3)S(=O)C)\C1C"	0	NA	NA	2	2	NA	""
"811085"	"811085"	"N-(3-((4-(6-(3-fluorophenyl)imidazo[2,1-b]oxazol-5-yl)py..."	"Fc1cccc(c1)c2nc3occn3c2c4ccnc(NCCCNS(=O)(=O)c5cccc6ccccc56)n4"	0	NA	NA	1	1	NA	""
"811097"	"811097"	""	"CCCC(=O)NC(c1ccc2OCOc2c1)c3ccc4cccnc4c3O"	0	NA	NA	1	1	NA	""
"811099"	"811099"	""	"CCn1cc(C2NC(=O)c3cc(F)ccc3N2)c4cccc(Cl)c14"	0	NA	NA	2	2	NA	""
"811100"	"811100"	""	"O=C1c2cccnc2C(=O)c3nc4cc(ccc4nc13)N5CCN(CC5)C6CC6"	0	NA	NA	2	2	NA	""
"811105"	"811105"	""	"Fc1cc(F)cc(NCC2=CC(=O)Nc3cc(I)ccc23)c1"	0	NA	NA	2	2	NA	""
"811107"	"811107"	""	"CC(C)(C)c1cc(cc(c1O)C(C)(C)C)c2nc3cc(ccc3[nH]2)N4CCN(CCO)CC4"	0	NA	NA	1	1	NA	""
"811109"	"811109"	""	"CCn1cc(C2NC(=O)c3ccccc3N2)c4cccc(C)c14"	0	NA	NA	2	2	NA	""
"811111"	"811111"	""	"Nc1ncc(cc1C(F)(F)F)c2ccc3ncnc(N4CCc5ccc(Cl)cc45)c3c2"	0	NA	NA	1	1	NA	""
"811127"	"811127"	""	"COc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"811132"	"811132"	""	"COc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(Cl)cc5)n4"	0	NA	NA	1	1	NA	""
"811133"	"811133"	""	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"811135"	"811135"	""	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCCNS(=O)(=O)c5ccc(F)cc5)n4"	0	NA	NA	1	1	NA	""
"811137"	"811137"	""	"Oc1cc(ccc1F)c2nc3sccn3c2c4ccnc(NCCNS(=O)(=O)c5ccc(Cl)cc5)n4"	0	NA	NA	1	1	NA	""
"811140"	"811140"	""	"CCN1CCN(CCNc2nccc(n2)c3c(nc4occn34)c5ccc(F)c(O)c5)S1(=O)=O"	0	NA	NA	1	1	NA	""
"811161"	"811161"	"tert-butyl 3,5-bis((E)-4-methylbenzylidene)-4-oxopiperid..."	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)OC(C)(C)C)cc1"	0	NA	NA	2	2	NA	""
"811165"	"811165"	"tert-butyl 3,5-bis((E)-2,5-dimethylbenzylidene)-4-oxopip..."	"Cc1ccc(C)c(\C=C\2/CN(C\C(=C/c3cc(C)ccc3C)\C2=O)C(=O)OC(C)(C)C)c1"	0	NA	NA	1	1	NA	""
"811189"	"811189"	"Human Serum Albumin is dominant structure"	""	0	NA	NA	1	1	NA	""
"811246"	"811246"	""	"CCN(CC)CCCC(C)Nc1cc(nc2ccc(cc12)N3CCCC3)c4cccc(OC(F)(F)F)c4"	0	NA	NA	2	2	NA	""
"811258"	"811258"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"811259"	"811259"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	2	2	NA	""
"811260"	"811260"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4"	0	NA	NA	2	2	NA	""
"811261"	"811261"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4C"	0	NA	NA	2	2	NA	""
"811262"	"811262"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(OC)c4"	0	NA	NA	1	1	NA	""
"811264"	"811264"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(Br)cc4"	0	NA	NA	1	1	NA	""
"811265"	"811265"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccccc4"	0	NA	NA	2	2	NA	""
"811266"	"811266"	""	"COc1ccc(NC(=O)c2sc3nc(C)c(cc3c2N)C(O)c4ccc(OC)cc4)cc1"	0	NA	NA	1	1	NA	""
"811267"	"811267"	""	"COc1ccc(cc1)C(O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	NA	""
"811268"	"811268"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4ccc(C)cc4"	0	NA	NA	1	1	NA	""
"811272"	"811272"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4"	0	NA	NA	1	1	NA	""
"811273"	"811273"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C"	0	NA	NA	2	2	NA	""
"811274"	"811274"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Br)c4C"	0	NA	NA	2	2	NA	""
"811275"	"811275"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(OC)c4"	0	NA	NA	2	2	NA	""
"811276"	"811276"	""	"COc1ccc(cc1)C(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc5ccccc45"	0	NA	NA	2	2	NA	""
"811280"	"811280"	"(2-chloro-6-morpholino-9H-purin-8-yl)methyl (2-morpholin..."	"Clc1nc(N2CCOCC2)c3nc(COC(=O)NCCN4CCOCC4)[nH]c3n1"	0	NA	NA	1	1	NA	""
"811281"	"811281"	"(2-chloro-6-morpholino-9H-purin-8-yl)methyl (2-(pyridin-..."	"Clc1nc(N2CCOCC2)c3nc(COC(=O)NCCc4ccccn4)[nH]c3n1"	0	NA	NA	1	1	NA	""
"811282"	"811282"	"(2-chloro-6-morpholino-9H-purin-8-yl)methyl 4-methylpipe..."	"CC1CCN(CC1)C(=O)OCc2nc3c(nc(Cl)nc3[nH]2)N4CCOCC4"	0	NA	NA	1	1	NA	""
"811285"	"811285"	"(2-chloro-6-morpholino-9H-purin-8-yl)methyl 1H-imidazole..."	"Clc1nc(N2CCOCC2)c3nc(COC(=O)n4ccnc4)[nH]c3n1"	0	NA	NA	1	1	NA	""
"811289"	"811289"	""	"NC(=O)c1cccc(c1)c2cc(ccc2Cl)C(=O)N"	0	NA	NA	1	1	NA	""
"811291"	"811291"	"Methyl N-[5-(3’-iodobenzoyl)-1H-benzimidazol-2-yl]carbamate"	"COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccc(I)c3"	0	NA	NA	2	2	NA	""
"811293"	"811293"	"5-hydroxy-7-(2-methoxyphenylamino)-2-phenyl-4H-chromen-4..."	"COc1ccccc1Nc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4"	0	NA	NA	1	1	NA	""
"811294"	"811294"	"7-(3,5-dimethoxyphenylamino)-5-hydroxy-2-phenyl-4H-chrom..."	"COc1cc(Nc2cc(O)c3C(=O)C=C(Oc3c2)c4ccccc4)cc(OC)c1"	0	NA	NA	2	2	NA	""
"811295"	"811295"	""	"CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c5cc(OC)c(NC(=O)COc6cc(OCC(=O)Nc7cc8c(cc7OC)N(C)[C@@H]9[C@@](O)([C@@H](OC(=O)C)[C@@]%10(CC)C=CCN%11CC[C@@]89[C@@H]%10%11)C(=O)OC)c%12C(=O)C=C(Oc%12c6)c%13ccccc%13)cc45)[C@](O)([C@@H]2OC(=O)C)C(=O)OC"	0	NA	NA	1	1	NA	""
"811299"	"811299"	""	"ClCC(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C#C)cc1"	0	NA	NA	1	1	NA	""
"811429"	"811429"	"BLU-667"	"CO[C@@]1(CC[C@@H](CC1)c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C(=O)N[C@@H](C)c4ccc(nc4)n5cc(F)cn5"	0	"PK:RET"	"FDA approved"	1	1	NA	"2097132948"
"811570"	"811570"	""	"FC(F)(F)c1ccccc1N2N=Nc3c(ccc4C(=O)c5ccccc5C(=O)c34)C2=O"	0	NA	NA	1	1	NA	""
"811659"	"811659"	""	"ONC(=O)CCCSc1nc(cc(n1)c2ccc(Cl)cc2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"811662"	"811662"	""	"COc1ccc(cc1)c2cc(nc(SCCCC(=O)NO)n2)c3ccccc3"	0	NA	NA	2	1	NA	""
"811664"	"811664"	""	"COc1ccc(cc1)c2cc(nc(SCCCC(=O)NO)n2)c3ccc(Cl)cc3"	0	NA	NA	2	1	NA	""
"811720"	"811720"	"Salinomycin ;SALINOMYCIN"	"CC[C@H]([C@@H]1CC[C@@H](C)[C@H](O1)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	NA	NA	2	2	NA	"53003104"
"811721"	"811721"	""	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)C(=O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O"	0	NA	NA	2	2	NA	""
"811819"	"811819"	""	"ClC(Cl)c1nc(c2ccccc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	NA	""
"811821"	"811821"	""	"Cc1cc2nc(nc(c3ccc(Cl)cc3)n2n1)C(Cl)Cl"	0	NA	NA	2	1	NA	""
"811822"	"811822"	""	"ClC(Cl)c1nc(c2ccc(Cl)cc2)n3nc(cc3n1)c4ccccc4"	0	NA	NA	1	1	NA	""
"811823"	"811823"	""	"Cc1ccc(cc1)c2nc(nc3cc(C)nn23)C(Cl)Cl"	0	NA	NA	1	1	NA	""
"811825"	"811825"	""	"Cc1cc2nc(nc(c3ccccc3)n2n1)C(Cl)Cl"	0	NA	NA	1	1	NA	""
"811878"	"811878"	""	"Cc1ccc(cc1)c2oc(c(n2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5)S(=O)(=O)c6ccc(C)cc6"	0	NA	NA	1	1	NA	""
"811894"	"811894"	""	"CC1CN(CC(C)O1)S(=O)(=O)c2oc(nc2C#N)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"811895"	"811895"	""	"CCOC(=O)N1CCN(CC1)S(=O)(=O)c2oc(nc2C#N)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	""
"811896"	"811896"	""	"Fc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)N3CCCCC3"	0	NA	NA	1	1	NA	""
"811897"	"811897"	""	"Fc1ccc(cc1)c2oc(c(n2)C#N)S(=O)(=O)N3CCOCC3"	0	NA	NA	1	1	NA	""
"811953"	"811953"	"IACS-8968"	"CC1(C)CN(CCC12NC(=O)NC2=O)c3cc(cc4cncn34)C(F)(F)F"	0	"IDO1"	"Clinical trial"	1	1	NA	"2144425147"
"811975"	"811975"	"3-[(hydroxymethyl)amino]lup-20-en-28-ol"	"CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCO)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12"	0	NA	NA	2	1	NA	""
"812015"	"812015"	"benzyl 13-(2H-1,3-benzodioxol-5-yl)-11-methyl-1,8,10-tri..."	"CC1=C(C(c2ccc3OCOc3c2)n4c(N1)nc5ccccc45)C(=O)OCc6ccccc6"	0	NA	NA	2	2	NA	""
"812042"	"812042"	"(2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl 4-m..."	"CN1CCN(CC1)C(=O)OCc2nc3c(nc(Cl)nc3n2C)N4CCOCC4"	0	NA	NA	1	1	NA	""
"812044"	"812044"	"(2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl (2-..."	"Cn1c(COC(=O)NCCc2ccccn2)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	1	1	NA	""
"812047"	"812047"	"(9-methyl-6-morpholino-2-phenyl-9H-purin-8-yl)methyl 4-m..."	"CN1CCN(CC1)C(=O)OCc2nc3c(nc(nc3n2C)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	NA	""
"812048"	"812048"	"(9-methyl-6-morpholino-2-phenyl-9H-purin-8-yl)methyl dim..."	"CN(C)C(=O)OCc1nc2c(nc(nc2n1C)c3ccccc3)N4CCOCC4"	0	NA	NA	2	2	NA	""
"812049"	"812049"	"(9-methyl-6-morpholino-2-phenyl-9H-purin-8-yl)methyl (2-..."	"Cn1c(COC(=O)NCCn2ccnc2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	NA	""
"812050"	"812050"	"(9-methyl-6-morpholino-2-phenyl-9H-purin-8-yl)methyl pip..."	"Cn1c(COC(=O)N2CCCCC2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	2	2	NA	""
"812051"	"812051"	"(9-methyl-6-morpholino-2-phenyl-9H-purin-8-yl)methyl (2-..."	"Cn1c(COC(=O)NCCN2CCOCC2)nc3c(nc(nc13)c4ccccc4)N5CCOCC5"	0	NA	NA	1	1	NA	""
"812052"	"812052"	"CH-7057288"	"Cc1cc(cc(n1)C#Cc2ccc3c4C(=O)c5ccc(NS(=O)(=O)C)cc5C(C)(C)c4oc3c2)C(=O)NC(C)(C)C"	0	""	"Clinical trial"	1	1	NA	"2095616821"
"812056"	"812056"	"N-(4-((3-chloro-4-(3-fluorophenoxy)phenyl)amino)quinazol..."	"OCCNCc1ccc(cc1)C(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(F)c5)c(Cl)c4)c3c2"	0	NA	NA	1	1	NA	""
"812059"	"812059"	"N-(4-((3-chloro-4-(m-tolyloxy)phenyl)amino)quinazolin-6-..."	"CN(C)CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(C)c4)c(Cl)c3)c2c1"	0	NA	NA	1	1	NA	""
"812061"	"812061"	"N-(3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)-6-(3-m..."	"FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4ccc(OCCCN5CCOCC5)cc34)cc2Cl)c1"	0	NA	NA	1	1	NA	""
"812062"	"812062"	"N-(3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)-6-(3-(..."	"CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(Oc5cccc(c5)C(F)(F)F)c(Cl)c4)c3c2)CC1"	0	NA	NA	1	1	NA	""
"812065"	"812065"	""	"C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN2CCN(CC2)c3cnc(cn3)C(=O)Nc4cc(C)cc5cccnc45)C(C)(C)C)c6ccc(cc6)c7scnc7C"	0	NA	NA	1	1	NA	""
"812067"	"812067"	""	"CN1CCN(CC1)c2cc(F)c(NC3=C(Cl)C(=O)c4ncccc4C3=O)c(F)c2"	0	NA	NA	1	1	NA	""
"812068"	"812068"	""	"CN1CCN(CC1)c2ccc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2C#N"	0	NA	NA	1	1	NA	""
"812069"	"812069"	""	"CN1CCN(CC1)c2c(F)cc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2F"	0	NA	NA	1	1	NA	""
"812112"	"812112"	""	"COc1ccncc1C#Cc2cncc(c2)C(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F"	0	NA	NA	1	1	NA	""
"812119"	"812119"	""	"C[C@@H]1CN(Cc2ccc(\C=C\c3n[nH]c4ccc5nc(c6CCCCc6c5c34)c7c[nH]nc7C(F)(F)F)cc2)C[C@H](C)O1"	0	NA	NA	1	1	NA	""
"812160"	"812160"	""	"CC(=O)c1c[nH]c2ccc(cc12)c3ccnc(Nc4ccc(NC(=O)C5CCCC5)c(CN6CCOCC6)c4)n3"	0	NA	NA	2	2	NA	""
"812161"	"812161"	""	"CC(=O)c1c[nH]c2ccc(cc12)c3ccnc(Nc4ccc(NC(=O)c5cccc(F)c5)c(CN6CCOCC6)c4)n3"	0	NA	NA	2	1	NA	""
"812162"	"812162"	""	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(=O)C)c4c5ccccc5"	0	NA	NA	1	1	NA	""
"812172"	"812172"	"ARS-1620"	"Oc1cccc(F)c1c2c(Cl)cc3c(ncnc3c2F)N4CCN(CC4)C(=O)C=C"	0	"KRAS"	"Clinical trial"	1	1	NA	""
"812201"	"812201"	"cordyheptapeptide A"	"CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@@H]4CCCN4C(=O)[C@@H](Cc5ccccc5)N(C)C(=O)[C@H](CC(C)C)NC1=O"	0	NA	NA	2	2	NA	""
"812228"	"812228"	""	"COc1cccc(CCC(=O)c2cc3c(N)c(sc3nc2C)C(=O)Nc4cccc(Cl)c4C)c1"	0	NA	NA	2	2	NA	""
"812292"	"812292"	""	"Clc1ccc(Cn2cc(C=O)c3ccccc23)cc1"	0	NA	NA	2	2	NA	""
"812346"	"812346"	""	"COc1ccccc1S(=O)(=O)Nc2ccc3N(C)C(=O)c4cc(CCC(=O)NCCCCNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc2c34"	0	NA	NA	2	2	NA	""
"812347"	"812347"	"4-[5-(3,4,5-Trimethoxyphenyl)thiophen-2-yl]benzamidine"	"COc1cc(cc(OC)c1OC)c2ccc(s2)c3ccc(cc3)C(=N)N"	0	NA	NA	1	1	NA	""
"812353"	"812353"	"6-[5-(4-Fluorophenyl)thiophen-2-yl]nicotinamidine"	"NC(=N)c1ccc(nc1)c2ccc(s2)c3ccc(F)cc3"	0	NA	NA	1	1	NA	""
"812381"	"812381"	"(E)-4-(tert-butyl)-N'-(2,4-dihydroxybenzylidene)benzohyd..."	"CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c2ccc(O)cc2O"	0	NA	NA	2	1	NA	""
"812383"	"812383"	"(E)-4-(tert-butyl)-N'-(1-(2,4-dihydroxyphenyl)ethylidene..."	"C\C(=N/NC(=O)c1ccc(cc1)C(C)(C)C)\c2ccc(O)cc2O"	0	NA	NA	2	1	NA	""
"812408"	"812408"	""	"Fc1ccc(\C=N\NC(=O)CSC2=Nc3sc4CCCCCc4c3C(=O)N2c5ccccc5)cc1"	0	NA	NA	1	1	NA	""
"812412"	"812412"	""	"CN(C)c1ccc(\C=N\NC(=O)CSC2=Nc3sc4CCCCCc4c3C(=O)N2c5ccccc5)cc1"	0	NA	NA	1	1	NA	""
"812415"	"812415"	"ABBV-744"	"CCNC(=O)c1cc2C(=CN(C)C(=O)c2[nH]1)c3cc(ccc3Oc4c(C)cc(F)cc4C)C(C)(C)O"	0	""	"Clinical trial"	1	1	NA	"2138861999"
"812539"	"812539"	""	"ClCC(=O)N1CCCCC1C(=O)Nc2cccc(c2)C#C"	0	NA	NA	1	1	NA	""
"812654"	"812654"	""	"Clc1cc(Nc2ccnc(Nc3ccc(O[C@H]4CO[C@@H]5[C@H](CO[C@H]45)OCC=C)c(Cl)c3)n2)ccc1O[C@H]6CO[C@@H]7[C@H](CO[C@H]67)OCC=C"	0	NA	NA	1	1	NA	""
"812690"	"812690"	""	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(COC(=O)C(C)c4ccc(CC(C)C)cc4)cc3)C2=O"	0	NA	NA	1	1	NA	""
"812691"	"812691"	""	"CCCCN1SC(=O)N(Cc2ccc(CNC(=O)\C=C/C(=O)OC\C\3=C\CC[C@@]4(C)O[C@H]4[C@H]5OC(=O)C(=C)[C@@H]5CC3)cc2)C1=O"	0	NA	NA	2	2	NA	""
"812692"	"812692"	""	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(CCCI)C4=O)cc3)/CC[C@@H]5[C@H](OC(=O)C5=C)[C@@H]1O2"	0	NA	NA	2	2	NA	""
"812693"	"812693"	""	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccc(Cl)cc5)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	2	2	NA	""
"812694"	"812694"	""	"COc1ccc(cc1)N2SC(=O)N(Cc3ccc(CNC(=O)\C=C/C(=O)OC\C\4=C\CC[C@@]5(C)O[C@H]5[C@H]6OC(=O)C(=C)[C@@H]6CC4)cc3)C2=O"	0	NA	NA	2	2	NA	""
"812695"	"812695"	""	"C[C@@]12CC\C=C(\COC(=O)\C=C/C(=O)NCc3ccc(CN4C(=O)SN(C4=O)c5ccc(cc5)C#N)cc3)/CC[C@@H]6[C@H](OC(=O)C6=C)[C@@H]1O2"	0	NA	NA	2	2	NA	""
"812715"	"812715"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3ccc(cc3)S(F)(F)(F)(F)F"	0	NA	NA	1	1	NA	""
"812727"	"812727"	"relacorilant"	"Cn1cc(cn1)S(=O)(=O)N2CCC3=Cc4c(C[C@@]3(C2)C(=O)c5cc(ccn5)C(F)(F)F)cnn4c6ccc(F)cc6"	0	""	"Clinical trial"	1	1	NA	"1496510510"
"812728"	"812728"	"AZD-4320"	"CN(CCO)CC[C@H](CSc1ccccc1)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)[C@@H](O)c5ccccc5c6ccc(Cl)cc6"	0	""	"Clinical trial"	2	2	NA	"1357576487"
"812730"	"812730"	"N-(3-(tert-butyl)isoxazol-5-yl)-2-(4-(6-(1-methyl-1H-pyr..."	"Cn1cc(cn1)c2ccc3nc(cnc3c2)c4ccc(CC(=O)Nc5onc(c5)C(C)(C)C)cc4"	0	NA	NA	2	2	NA	""
"812731"	"812731"	"N-(5-(tert-butyl)isoxazol-3-yl)-2-(4-(6-(1-(2-morpholino..."	"CC(C)(C)c1onc(NC(=O)Cc2ccc(cc2)c3cnc4cc(ccc4n3)c5cnn(CCN6CCOCC6)c5)c1"	0	NA	NA	2	2	NA	""
"812734"	"812734"	"N-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-2-(4-(6-(1-m..."	"Cn1cc(cn1)c2ccc3ncc(cc3c2)c4ccc(CC(=O)Nc5cc(nn5C)C(C)(C)C)cc4"	0	NA	NA	1	1	NA	""
"812736"	"812736"	"2-(4-((7-(1-(2-(dimethylamino)ethyl)-1H-pyrazol-4-yl)qui..."	"CN(C)CCn1cc(cn1)c2ccc3c(Nc4ccc(CC(=O)Nc5cccc(F)c5)cc4)ncnc3c2"	0	NA	NA	1	1	NA	""
"812737"	"812737"	"2-(4-((7-(1-(2-(dimethylamino)ethyl)-1H-pyrazol-4-yl)qui..."	"CC(C)c1ccc(NC(=O)Cc2ccc(Nc3ncnc4cc(ccc34)c5cnn(CCN(C)C)c5)cc2)cc1"	0	NA	NA	1	1	NA	""
"812738"	"812738"	"1-(2,4-dimethoxybenzyl)-N-(naphthalen-1-yl)-1H-benzo[d]i..."	"COc1ccc(Cn2cnc3cc(ccc23)C(=O)Nc4cccc5ccccc45)c(OC)c1"	0	NA	NA	2	2	NA	""
"812834"	"812834"	"(E)-3-(3,4-dimethoxybenzylidene)-5,6-dihydroxychroman-4-one"	"COc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1OC"	0	NA	NA	1	1	NA	""
"812835"	"812835"	"(E)-3-(3,5-dimethoxybenzylidene)-5,6-dihydroxychroman-4-one"	"COc1cc(OC)cc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	NA	""
"812836"	"812836"	"(E)-5,6-dihydroxy-3-(2-nitrobenzylidene)chroman-4-one"	"Oc1ccc2OC\C(=C/c3ccccc3[N+](=O)[O-])\C(=O)c2c1O"	0	NA	NA	2	2	NA	""
"812837"	"812837"	"(E)-5,6-dihydroxy-3-(4-nitrobenzylidene)chroman-4-one"	"Oc1ccc2OC\C(=C/c3ccc(cc3)[N+](=O)[O-])\C(=O)c2c1O"	0	NA	NA	1	1	NA	""
"812843"	"812843"	"(E)-3-(2,3-dimethoxybenzylidene)-5,6-dihydroxychroman-4-one"	"COc1cccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1OC"	0	NA	NA	1	1	NA	""
"812845"	"812845"	"(E)-3-(2,5-dimethoxybenzylidene)-5,6-dihydroxychroman-4-one"	"COc1ccc(OC)c(\C=C\2/COc3ccc(O)c(O)c3C2=O)c1"	0	NA	NA	1	1	NA	""
"812858"	"812858"	""	"CCOc1cc(ccc1C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC#Cc4cccc5C(=O)N(Cc45)[C@@H]6CCC(=O)NC6=O)CC3)c7ccc(Cl)cc7)c8ccc(Cl)cc8)C(C)(C)C"	0	NA	NA	2	2	NA	""
"812902"	"812902"	"GDC-0927"	"CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5"	0	NA	NA	1	1	NA	"1642297015"
"812926"	"812926"	"TAS-6417"	"CC1=C[C@@H](Cn2c1c(c3cnc4ccccc4c3)c5c(N)ncnc25)NC(=O)C=C"	0	"PK:EGFR"	"Clinical trial"	2	2	NA	"1661854972"
"812927"	"812927"	"PF-06873600"	"C[C@@]1(O)CCC[C@H]1N2C(=O)C(=Cc3cnc(NC4CCN(CC4)S(=O)(=O)C)nc23)C(F)F"	0	"PK:CDK"	"Clinical trial"	1	1	NA	"2185857978"
"812928"	"812928"	"IDH-305"	"C[C@H](F)[C@H]1COC(=O)N1c2ccnc(N[C@@H](C)c3cc(C)c(cn3)c4ccnc(c4)C(F)(F)F)n2"	0	"IDH1"	"Clinical trial"	1	1	NA	"1628805468"
"812940"	"812940"	""	"NCCCNc1nc2ccccc2c3C(=O)c4cccc(F)c4Sc13"	0	NA	NA	1	1	NA	""
"812942"	"812942"	""	"Oc1ccc(cc1C(=O)Nc2cccc(c2)C#N)c3ccc(F)cc3F"	0	NA	NA	1	1	NA	""
"812946"	"812946"	""	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	NA	""
"812947"	"812947"	""	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	NA	""
"812948"	"812948"	""	"Oc1ccc(I)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"813000"	"813000"	"7247"	"COc1cccc2C(=O)c3c(Sc12)c(nc4ccccc34)N5CCNCC5"	0	NA	NA	1	1	NA	""
"813059"	"813059"	""	"O[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc3ccc(Nc4ncc(F)c(Oc5ccc(cc5Cl)[N+](=O)[O-])n4)cc3Cl"	0	NA	NA	1	1	NA	""
"813098"	"813098"	"(Z)-2-(7-fluoro-1H-benzo[d][1,2,3]triazol-1-yl)-3-(4-met..."	"COc1ccc(\C=C(\C#N)/n2nnc3cccc(F)c23)cc1"	0	NA	NA	1	1	NA	""
"813202"	"813202"	"(((benzylamino)(1-hydroxy-2-oxopiperidin-3-yl)phosphoryl..."	"CC(C)(C)C(=O)OCOP(=O)(NCc1ccccc1)C2CCCN(O)C2=O"	0	NA	NA	1	1	NA	""
"813203"	"813203"	"Colchicine"	"COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C"	0	NA	NA	2	2	NA	"64868"
"813204"	"813204"	""	"COC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813205"	"813205"	""	"CCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813206"	"813206"	""	"CCCOC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813207"	"813207"	""	"COc1c(Cl)c2CC[C@H](NC(=O)OCC(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC"	0	NA	NA	2	2	NA	""
"813208"	"813208"	""	"CCOC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813209"	"813209"	""	"COC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813210"	"813210"	""	"CCCOC(=O)N[C@H]1CCc2c(Br)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813211"	"813211"	""	"COC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813212"	"813212"	""	"CCCOC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13"	0	NA	NA	2	2	NA	""
"813353"	"813353"	"(Z)-2-(7-fluoro-1H-benzo[d][1,2,3]triazol-1-yl)-3-p-toly..."	"Cc1ccc(\C=C(\C#N)/n2nnc3cccc(F)c23)cc1"	0	NA	NA	2	1	NA	""
"813380"	"813380"	"AZD-3229"	"COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C(C)C)cc3)ncnc2c1"	0	""	"Clinical trial"	1	1	NA	"2248003601"
"813428"	"813428"	""	"CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]3[C@@H](Cc4ccccc34)OCC#CC#CCO[C@@H]5Cc6ccccc6[C@@H]5NC(=O)[C@H]7N8[C@H](CC7(C)C)SCC[C@H](NC(=O)[C@H](C)NC)C8=O"	0	NA	NA	2	2	NA	""
"813435"	"813435"	"(S)-4-(((2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino)..."	"C[C@H](Nc1nc(N)nc(N)c1C#N)C2=Nc3cccc(NCc4ccc(cc4)C(=O)NO)c3C(=O)N2c5ccccc5"	0	NA	NA	1	1	NA	""
"813456"	"813456"	""	"Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(Br)cn3"	0	NA	NA	2	2	NA	""
"813457"	"813457"	""	"CN1CCN(CC1)c2ccc(NC3=C(Cl)C(=O)c4ncccc4C3=O)cc2C(F)(F)F"	0	NA	NA	1	1	NA	""
"813459"	"813459"	""	"FC(F)(F)C1(CC1)c2ccc(NS(=O)(=O)c3ccc4nc(NC(=O)c5cnccn5)[nH]c4c3)cc2"	0	NA	NA	1	1	NA	""
"813460"	"813460"	""	"Cc1cnc(cn1)C(=O)Nc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc4ccc(cc4)C(C)(C)C"	0	NA	NA	2	2	NA	""
"813461"	"813461"	""	"CC(C)(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(NC(=O)c4cnccn4)nc3c2)cc1"	0	NA	NA	1	1	NA	""
"813462"	"813462"	""	"Cc1cnc(cn1)C(=O)Nc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc4ccc(cc4)C5(CC5)C(F)(F)F"	0	NA	NA	2	2	NA	""
"813463"	"813463"	""	"CC1CCCc2sc3N=C(NNC(=O)c4cnccn4)N(C(=O)c3c12)c5ccccc5"	0	NA	NA	2	2	NA	""
"813475"	"813475"	""	"O=C(NCc1ccccc1)Nc2sc3CCCCc3c2C#N"	0	NA	NA	2	2	NA	""
"813476"	"813476"	""	"O=C(NCc1ccccc1)Nc2sc3CCCCCc3c2C#N"	0	NA	NA	2	2	NA	""
"813488"	"813488"	"futibutinib"	"COc1cc(OC)cc(c1)C#Cc2nn([C@H]3CCN(C3)C(=O)C=C)c4ncnc(N)c24"	0	"PK:FGFR"	"Clinical trial"	1	1	NA	"1448169718"
"813494"	"813494"	"25-amino-53-(aminomethyl)-13-hydroxy-15,15-dimethyl-6-ox..."	"CC1(C)CC(O)CCCCCCOc2c(CN)cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S1(=O)=O"	0	NA	NA	2	2	NA	""
"813495"	"813495"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-(phenylamino)ac..."	"O=C(CCN1CCCC1)Nc2ccc3c(Nc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	NA	""
"813498"	"813498"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-{[4-(N,N-dimeth..."	"CN(C)c1ccc(Nc2c3ccccc3nc4cc(NC(=O)CCN5CCCC5)ccc24)cc1"	0	NA	NA	2	2	NA	""
"813499"	"813499"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-(benzylamino)ac..."	"O=C(CCN1CCCC1)Nc2ccc3c(NCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	NA	""
"813501"	"813501"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-[(4-fluorobenzy..."	"Fc1ccc(CNc2c3ccccc3nc4cc(NC(=O)CCN5CCCC5)ccc24)cc1"	0	NA	NA	2	2	NA	""
"813502"	"813502"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-[(2-phenyletyl)..."	"O=C(CCN1CCCC1)Nc2ccc3c(NCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	2	2	NA	""
"813503"	"813503"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-[(3-phenylpropy..."	"O=C(CCN1CCCC1)Nc2ccc3c(NCCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	1	1	NA	""
"813504"	"813504"	"3-{[3-(pyrolidin-1-yl)propanoyl]amino}-9-[(4-phenylbutyl..."	"O=C(CCN1CCCC1)Nc2ccc3c(NCCCCc4ccccc4)c5ccccc5nc3c2"	0	NA	NA	1	1	NA	""
"813553"	"813553"	"RRSP-DTB"	""	0	NA	NA	2	2	NA	""
"813644"	"813644"	""	"CC(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C(=O)N"	0	NA	NA	2	2	NA	""
"813647"	"813647"	""	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccc(c3)C(F)(F)F"	0	NA	NA	2	2	NA	""
"813649"	"813649"	""	"NC(=O)c1c2CCC(=O)Cc2sc1NC(=O)c3cccs3"	0	NA	NA	1	1	NA	""
"813650"	"813650"	""	"CC(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C#N"	0	NA	NA	2	2	NA	""
"813651"	"813651"	""	"CC(C)c1ccc(cc1)C(=O)Nc2nc3ccc(O)cc3s2"	0	NA	NA	1	1	NA	""
"813835"	"813835"	""	"Cn1ccnc1C(=O)\C=C\c2ccc(cc2)C(=O)Nc3nc4ccccc4[nH]3"	0	NA	NA	1	1	NA	""
"813862"	"813862"	"Lapachone"	"CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O"	0	"TOP2|TOP1"	"Clinical trial"	1	1	NA	"4707328"
"813869"	"813869"	""	"CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc4c(N)ncc5ccc(F)cc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"813871"	"813871"	""	"CN(C)C1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4cnc(N)c5ncccc45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"813873"	"813873"	""	"CN(C)Cc1ccc(NC(=O)c2cncc(c2)C#Cc3cnc(N)c4ncccc34)cc1F"	0	NA	NA	1	1	NA	""
"813875"	"813875"	""	"CN(C)Cc1ccc(NC(=O)c2cncc(c2)C#Cc3cnc(N)c4ncccc34)cc1C(F)(F)F"	0	NA	NA	1	1	NA	""
"813876"	"813876"	""	"CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc(N)c5ccccc45)cc2C(F)(F)F)CC1"	0	NA	NA	2	2	NA	""
"813877"	"813877"	""	"CN(C)CCNC(=O)c1ccc(cc1)c2nc3ccc4[nH]ncc4c3c5C6CCC(C6)c25"	0	NA	NA	2	2	NA	""
"813896"	"813896"	"perylene-3,10-diylbis(triphenylphosphonium)"	"c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccc5c6ccc(c7cccc(c8cccc4c58)c67)[P+](c9ccccc9)(c%10ccccc%10)c%11ccccc%11"	0	NA	NA	1	1	NA	""
"813901"	"813901"	""	"CN1CCN(CC1)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc(c2)C(F)(F)F"	0	NA	NA	1	1	NA	""
"813991"	"813991"	""	"CN1CCN(CCOc2ccc(cc2)c3cnc4c(cnn4c3)c5cccc(F)c5F)CC1"	0	NA	NA	1	1	NA	""
"814025"	"814025"	"LSZ-102"	"CC(F)(F)c1cc(F)ccc1c2sc3cc(O)ccc3c2Oc4ccc(\C=C\C(=O)O)cc4"	0	"SERD"	"Clinical trial"	1	1	NA	"2135600767"
"814062"	"814062"	""	"Cc1ccc(cc1)c2oc(N3CCOCC3)c(n2)[P+](c4ccccc4)(c5ccccc5)c6ccccc6"	0	NA	NA	2	2	NA	""
"814066"	"814066"	""	"CCSc1oc(nc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c5ccccc5"	0	NA	NA	2	2	NA	""
"814068"	"814068"	""	"CCSc1sc(nc1[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c5ccc(C)cc5"	0	NA	NA	2	1	NA	""
"814071"	"814071"	""	"C1CN(CCO1)c2oc(nc2[P+](c3ccccc3)(c4ccccc4)c5ccccc5)c6ccccc6"	0	NA	NA	2	2	NA	""
"814243"	"814243"	""	"COc1ccc(CNC(=O)COc2ccc(\C=N\NC3=NC4C=CC=CC4=[S+]3)cc2)cc1"	0	NA	NA	1	1	NA	""
"814283"	"814283"	""	"COc1ccc2OC34Oc5ccc(OC)cc5C=C3CSCC4=Cc2c1"	0	NA	NA	2	2	NA	""
"814340"	"814340"	""	"COc1cc(\C=C\2/CN(C\C(=C/c3cc(CN4CCCC4)c(O)c(OC)c3)\C2=O)S(=O)(=O)c5ccccc5)cc(CN6CCCC6)c1O"	0	NA	NA	1	1	NA	""
"814343"	"814343"	"25-amino-53-(aminomethyl)-13-hydroxy-13,15,15-trimethyl-..."	"CC1(O)COCCCCOc2c(CN)cccc2NC(=O)c3nc(cnc3N)c4ccc(cc4)S(=O)(=O)C(C)(C)C1"	0	NA	NA	2	2	NA	""
"814484"	"814484"	"2-[3-(2-fluoro-fluoren-9-ylidenemethyl)-pyridin-2-yloxy]..."	"NCCOc1ncccc1\C=C\2/c3ccccc3c4ccc(F)cc24"	0	NA	NA	2	1	NA	""
"814485"	"814485"	"2-[3-(2-Nitro-fluoren-9-ylidenemethyl)-pyridin-2-yloxy]-..."	"NCCOc1ncccc1\C=C\2/c3ccccc3c4ccc(cc24)[N+](=O)[O-]"	0	NA	NA	2	2	NA	""
"814541"	"814541"	"(E)-5,6-dihydroxy-3-(4-hydroxybenzylidene)chroman-4-one"	"Oc1ccc(\C=C\2/COc3ccc(O)c(O)c3C2=O)cc1"	0	NA	NA	1	1	NA	""
"814590"	"814590"	""	"Fc1cccc(COc2ccc(Nc3ncnc4onc(c5ccccc5)c34)cc2)c1"	0	NA	NA	2	2	NA	""
"814598"	"814598"	""	"Fc1ccc(Cn2cc(CN3C(=O)C(=Cc4ccccc34)c5nc6ccccc6[nH]5)nn2)cc1"	0	NA	NA	2	2	NA	""
"814602"	"814602"	""	"COc1ccc(Cn2cc(CN3C(=O)C(=Cc4ccccc34)c5nc6ccccc6[nH]5)nn2)c(OC)c1OC"	0	NA	NA	2	2	NA	""
"815038"	"815038"	"N2-cyclobutyl-N4-(1-isopropylpiperidin-4-yl)-6,7-dimetho..."	"COc1cc2nc(NC3CCC3)nc(NC4CCN(CC4)C(C)C)c2cc1OC"	0	NA	NA	1	1	NA	""
"815062"	"815062"	""	"COc1ccc(cc1OC)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	2	2	NA	""
"815063"	"815063"	""	"COc1cccc(c1)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	1	1	NA	""
"815065"	"815065"	""	"COc1cc(cc(OC)c1OC)\C(=C\c2nc3c(nc(Cl)nc3n2C)N4CCOCC4)\C#N"	0	NA	NA	2	2	NA	""
"815066"	"815066"	""	"Cn1c(\C=C(/C#N)\c2cccc(c2)C(F)(F)F)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	2	2	NA	""
"815067"	"815067"	""	"Cn1c(\C=C(/C#N)\c2ccccc2)nc3c(nc(Cl)nc13)N4CCOCC4"	0	NA	NA	2	1	NA	""
"815078"	"815078"	""	"Fc1ccc2Sc3c(Nc4ccncc4)nc5ccccc5c3C(=O)c2c1"	0	NA	NA	1	1	NA	""
"815082"	"815082"	""	"NCCNc1nc2ccccc2c3C(=O)c4cc(F)cc(Cl)c4Sc13"	0	NA	NA	1	1	NA	""
"815086"	"815086"	""	"Cc1cccc2C(=O)c3c(Sc12)c(NCCN)nc4ccccc34"	0	NA	NA	2	1	NA	""
"815093"	"815093"	""	"Fc1cc(Br)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	1	NA	""
"815101"	"815101"	""	"CCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	1	1	NA	""
"815104"	"815104"	""	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	2	1	NA	""
"815105"	"815105"	""	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OC)c(OC)c6"	0	NA	NA	2	2	NA	""
"815106"	"815106"	""	"CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(cc6)C(F)(F)F"	0	NA	NA	1	1	NA	""
"815330"	"815330"	"Melodinine K"	"CC[C@@]12CC(=C3Nc4cc5O[C@@H]6[C@@H](O)[C@@]7(CC)CC(=C8Nc9ccccc9[C@@]8%10CCN([C@@H]6c5cc4[C@@]3%11CCN(CC=C1)[C@@H]2%11)[C@@H]7%10)C(=O)OC)C(=O)OC"	0	NA	NA	2	2	NA	""
"815336"	"815336"	""	"CC(=O)O[C@@H]1C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C[C@@]1(C)CO"	0	NA	NA	2	1	NA	""
"815369"	"815369"	"7-((4-Bromobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimethy..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(Br)cc3"	0	NA	NA	1	1	NA	""
"815370"	"815370"	"7-((3,4-Difluorobenzyl)amino)-4-(methoxycarbonyl)-1,3-di..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C(=CC(=O)c12)NCc3ccc(F)c(F)c3"	0	NA	NA	1	1	NA	""
"815386"	"815386"	"6-(Benzylamino)-4-(methoxycarbonyl)-1,3-dimethyl-5,8-dio..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccccc3)C(=O)c12"	0	NA	NA	2	2	NA	""
"815387"	"815387"	"6-((3,4-Difluorobenzyl)amino)-4-(methoxycarbonyl)-1,3-di..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)c(F)c3)C(=O)c12"	0	NA	NA	2	2	NA	""
"815401"	"815401"	"6-((4-Fluorobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimeth..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)cc3)C(=O)c12"	0	NA	NA	2	1	NA	""
"815402"	"815402"	"6-((4-Chlorobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimeth..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(Cl)cc3)C(=O)c12"	0	NA	NA	2	2	NA	""
"815403"	"815403"	"6-((3-Chlorobenzyl)amino)-4-(methoxycarbonyl)-1,3-dimeth..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3cccc(Cl)c3)C(=O)c12"	0	NA	NA	2	2	NA	""
"815404"	"815404"	"6-((3-Chloro-4-fluorobenzyl)amino)-4-(methoxycarbonyl)-1..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3ccc(F)c(Cl)c3)C(=O)c12"	0	NA	NA	2	2	NA	""
"815405"	"815405"	"6-((3-Methoxybenzyl)amino)-4-(methoxycarbonyl)-1,3-dimet..."	"COC(=O)c1c(C)[n+]([O-])c(C)c2C(=O)C=C(NCc3cccc(OC)c3)C(=O)c12"	0	NA	NA	2	1	NA	""
"815504"	"815504"	"N-((4-(1H-benzo[d]imidazol-2-yl)phenyl)carbamothioyl)-2-..."	"O=C(NC(=S)Nc1ccc(cc1)c2nc3ccccc3[nH]2)c4ccc5ccccc5c4"	0	NA	NA	1	1	NA	""
"815507"	"815507"	""	"CC(=N[Pt]1(Cl)NCCCN1)N2CCC[C@H](C2)Nc3c4ccccc4nc5ccccc35"	0	NA	NA	2	2	NA	""
"815557"	"815557"	"(E)-9-(3-oxo-3-phenylprop-1-en-1-yl)-13-phenyl-9,10-dihy..."	"O=C(\C=C\C12C3C(C(c4ccccc14)c5ccccc25)C(=O)N(C3=O)c6ccccc6)c7ccccc7"	0	NA	NA	1	1	NA	""
"815561"	"815561"	"(E)-13-(4-chlorophenyl)-9-(3-oxo-3-(pyridin-2-yl)prop-1-..."	"Clc1ccc(cc1)N2C(=O)C3C4c5ccccc5C(\C=C\C(=O)c6ccccn6)(C3C2=O)c7ccccc47"	0	NA	NA	2	1	NA	""
"815562"	"815562"	"(E)-13-(4-benzoylphenyl)-9-(3-oxo-3-(pyridin-2-yl)prop-1..."	"O=C(\C=C\C12C3C(C(c4ccccc14)c5ccccc25)C(=O)N(C3=O)c6ccc(cc6)C(=O)c7ccccc7)c8ccccn8"	0	NA	NA	2	1	NA	""
"815942"	"815942"	"(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-(4-bromophenyl)..."	"Brc1ccc(\C=C(/C#N)\n2nnc3ccccc23)cc1"	0	NA	NA	2	2	NA	""
"815943"	"815943"	"(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-(benzo[d][1,3]d..."	"N#C\C(=C/c1ccc2OCOc2c1)\n3nnc4ccccc34"	0	NA	NA	1	1	NA	""
"815944"	"815944"	"(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-(4-methoxypheny..."	"COc1ccc(\C=C(/C#N)\n2nnc3ccccc23)cc1"	0	NA	NA	2	2	NA	""
"815962"	"815962"	"(E)-4-(5-styrylthiophen-2-yl)benzamidine hydrochloride salt"	"NC(=N)c1ccc(cc1)c2ccc(\C=C\c3ccccc3)s2"	0	NA	NA	1	1	NA	""
"815966"	"815966"	"6-[5-(3,4-dichlorophenyl)furan-2-yl]nicotinamidine dihyd..."	"NC(=N)c1ccc(nc1)c2oc(cc2)c3ccc(Cl)c(Cl)c3"	0	NA	NA	1	1	NA	""
"816001"	"816001"	""	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(CP4(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	1	NA	""
"816002"	"816002"	""	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(c5ccccc5)(c6ccccc6)c7ccccc7P4(c8ccccc8)c9ccccc9"	0	NA	NA	2	1	NA	""
"816003"	"816003"	""	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(CCP4(c5ccccc5)c6ccccc6)(c7ccccc7)c8ccccc8"	0	NA	NA	2	2	NA	""
"816005"	"816005"	""	"Fc1cc(F)c2c3cccc[n+]3[Pt]4(c2c1)P(C(P(c5ccccc5)c6ccccc6)P4(c7ccccc7)c8ccccc8)(c9ccccc9)c%10ccccc%10"	0	NA	NA	1	1	NA	""
"816024"	"816024"	"INCB-54329"	"Cc1onc(C)c1c2ccc3NC(=O)N4[C@H](COc2c34)c5ccccn5"	0	NA	NA	2	2	NA	"1628607646"
"816055"	"816055"	""	"CC(C)(C)c1ccc(cc1)C(=O)Nc2sc3CC(=O)CCc3c2C(=O)N"	0	NA	NA	2	2	NA	""
"816083"	"816083"	""	"O=C(NCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	NA	""
"816084"	"816084"	""	"O=C(NCCOCCOCCNc1cccc2C(=O)N(C3CCCNC3=O)C(=O)c12)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	NA	""
"816085"	"816085"	""	"O=C(NCCN1CCC(CCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1)c5oc6C(=O)c7ccccc7C(=O)c6c5"	0	NA	NA	2	2	NA	""
"816086"	"816086"	""	"O=C(CC12CC3CC(CC(C3)C1)C2)NCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	NA	""
"816087"	"816087"	""	"O=C(CC12CC3CC(CC(C3)C1)C2)NCCOCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	NA	""
"816088"	"816088"	""	"O=C(NCCOCCOCCOCCNC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1)NC45CC6CC(CC(C6)C4)C5"	0	NA	NA	1	1	NA	""
"816089"	"816089"	""	"CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCNC(=O)c4oc5C(=O)c6ccccc6C(=O)c5c4)c3C2=O)C1=O"	0	NA	NA	1	1	NA	""
"816090"	"816090"	""	"OC1CCN(CCNC(=O)c2oc3C(=O)c4ccccc4C(=O)c3c2)CC1"	0	NA	NA	2	2	NA	""
"816091"	"816091"	""	"O=C(NCCCC#Cc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O)c4oc5C(=O)c6ccccc6C(=O)c5c4"	0	NA	NA	1	1	NA	""
"816108"	"816108"	""	"Oc1ccc(NC2=NC(=O)\C(=C\c3cccc(OCC=C)c3)\S2)cc1"	0	NA	NA	2	2	NA	""
"816183"	"816183"	"2'-(3,4-diethoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'..."	"CCOc1ccc(cc1OCC)c2nc3ccc(cc3[nH]2)c4nc5ccc(cc5[nH]4)N6CCN(C)CC6"	0	NA	NA	1	1	NA	""
"816184"	"816184"	"2'-(3,4-diethoxyphenyl)-6-(4-propylpiperazin-1-yl)-1H,3'..."	"CCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCC)c(OCC)c6"	0	NA	NA	2	2	NA	""
"816185"	"816185"	"6-(4-butylpiperazin-1-yl)-2'-(3,4-diethoxyphenyl)-1H,3'H..."	"CCCCN1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5nc([nH]c5c4)c6ccc(OCC)c(OCC)c6"	0	NA	NA	1	1	NA	""
"816223"	"816223"	"(Z)-2-(4-(diethylamino)benzylidene)-5-hydroxybenzofuran-..."	"CCN(CC)c1ccc(\C=C\2/Oc3ccc(O)cc3C2=O)cc1"	0	NA	NA	1	1	NA	""
"816243"	"816243"	""	"COc1cc(OCc2cccc(c2C)c3ccc(cc3)C(O)c4nccs4)cc(OC)c1C=O"	0	NA	NA	1	1	NA	""
"816314"	"816314"	""	"OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CN5\C(=N/C#N)\NC6(C5=O)C7=[C]8(=C6C=CC=C8)C=CC=C7)CC4)c(F)cc3C1=O"	0	NA	NA	1	1	NA	""
"816429"	"816429"	""	"COc1cc(\C=N\NC(=O)c2cnn3CC(Nc23)c4ccccc4)ccc1OC5CCCC5"	0	NA	NA	2	1	NA	""
"816437"	"816437"	"Copanlisib tris-HCl"	"COc1c(OCCCN2CCOCC2)ccc3C4=NCCN4C(=Nc13)NC(=O)c5cnc(N)nc5"	0	NA	NA	2	2	NA	""
"816464"	"816464"	"WB302"	"CCOC(=O)c1[nH]c2cc(Cl)ccc2c1[C@H](N(CC)C(=O)CCCCC#Cc3cccc4C(=O)N(Cc34)C5CCC(=O)NC5=O)C(=O)NC(C)(C)C"	0	NA	NA	2	2	NA	""
"816475"	"816475"	"4-(2-cyclopropyloxazol-5-yl)-N-(3,4-dichlorophenyl)benze..."	"Clc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1Cl"	0	NA	NA	2	2	NA	""
"816478"	"816478"	"4-(2-cyclopropyloxazol-5-yl)-N-(p-tolyl)benzenesulfonamide"	"Cc1ccc(NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4)cc1"	0	NA	NA	1	1	NA	""
"816480"	"816480"	"N-(2-chlorophenyl)-4-(2-cyclopropyloxazol-5-yl)benzenesu..."	"Clc1ccccc1NS(=O)(=O)c2ccc(cc2)c3oc(nc3)C4CC4"	0	NA	NA	2	2	NA	""
"816489"	"816489"	"(E)-3-(4-chlorophenyl)-1-(2-methyl-4-((E)-styryl)quinoli..."	"Cc1nc2ccccc2c(\C=C\c3ccccc3)c1C(=O)\C=C\c4ccc(Cl)cc4"	0	NA	NA	1	1	NA	""
"816526"	"816526"	""	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6[C@H]7CCC(C7)[C@@H]36"	0	NA	NA	2	2	NA	""
"816531"	"816531"	""	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cncc(c3)C#Cc4cnc(N)c5ccccc45)CC1"	0	NA	NA	1	1	NA	""
"816554"	"816554"	"AZD-4573"	"CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34"	0	NA	NA	2	2	NA	"205709723"
"816555"	"816555"	"JQ-35, (S)-"	"CN1CCN(CCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c4c(C)c(C)sc4n5c(C)nnc25)CC1"	0	NA	NA	2	2	NA	"1349719987"
"816556"	"816556"	"INCB-54828"	"CCN1C(=O)N(Cc2c[nH]c3nc(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F"	0	NA	NA	1	1	NA	"1513857776"
"816570"	"816570"	"Vinblastine Sulfate"	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	NA	NA	2	2	NA	"143679"
"816571"	"816571"	""	"CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)CCCBr)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1"	0	NA	NA	2	2	NA	""
"816575"	"816575"	""	"Oc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc3OC(=CC(=O)c13)c4ccccc4"	0	NA	NA	1	1	NA	""
"816593"	"816593"	""	"Oc1ccc(F)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"816595"	"816595"	""	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(F)cc2F"	0	NA	NA	1	1	NA	""
"816596"	"816596"	""	"Oc1ccc(Br)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	NA	""
"816597"	"816597"	""	"Oc1ccc(F)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	2	2	NA	""
"816598"	"816598"	""	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"816600"	"816600"	""	"Oc1ccc(F)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	NA	""
"816601"	"816601"	""	"Oc1ccc(Br)cc1C(=O)Nc2ccc(I)cc2F"	0	NA	NA	2	2	NA	""
"816602"	"816602"	""	"Oc1ccc(Cl)cc1C(=O)Nc2ccc(Br)cc2F"	0	NA	NA	2	2	NA	""
"816604"	"816604"	""	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(I)cc3F"	0	NA	NA	2	2	NA	""
"816605"	"816605"	""	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	NA	""
"816606"	"816606"	""	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(Br)cc3F"	0	NA	NA	2	2	NA	""
"816607"	"816607"	""	"Fc1ccc2OC(=O)N(C(=O)c2c1)c3ccc(Cl)cc3F"	0	NA	NA	2	2	NA	""
"816609"	"816609"	""	"Oc1ccc(I)cc1C(=O)Nc2ccc(Cl)cc2F"	0	NA	NA	1	1	NA	""
"816611"	"816611"	""	"Fc1ccc(N2C(=O)Oc3ccc(Cl)cc3C2=O)c(F)c1"	0	NA	NA	1	1	NA	""
"816612"	"816612"	""	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	NA	""
"816614"	"816614"	""	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	2	NA	""
"816615"	"816615"	""	"Fc1cc(I)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	2	2	NA	""
"816616"	"816616"	""	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(Br)cc3C2=O"	0	NA	NA	2	2	NA	""
"816617"	"816617"	""	"Fc1cc(Br)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	2	2	NA	""
"816621"	"816621"	""	"Fc1cc(Cl)ccc1N2C(=O)Oc3ccc(I)cc3C2=O"	0	NA	NA	1	1	NA	""
"816634"	"816634"	""	"NCCNc1nc2ccc(F)cc2c3C(=O)c4cc(F)ccc4Sc13"	0	NA	NA	1	1	NA	""
"816635"	"816635"	""	"Nc1ccc(N2C(=O)Oc3ccc(Cl)cc3C2=O)c(Cl)c1"	0	NA	NA	2	2	NA	""
"816638"	"816638"	""	"Oc1ccc(Cl)cc1C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F"	0	NA	NA	2	2	NA	""
"816641"	"816641"	""	"FC(F)(F)c1cc(cc(c1)C(F)(F)F)N2C(=O)Oc3ccc(Cl)cc3C2=O"	0	NA	NA	2	2	NA	""
"816643"	"816643"	""	"Fc1ccc(c(F)c1)c2ccc3OC(=O)N(C(=O)c3c2)c4cccc(c4)C(F)(F)F"	0	NA	NA	1	1	NA	""
"816657"	"816657"	"3-(6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]t..."	"Clc1ccc(c(Cl)c1)c2nn3c(CCC(=O)c4nc5ncccc5[nH]4)nnc3s2"	0	NA	NA	1	1	NA	""
"816682"	"816682"	"(E)-2-(5-chloro-1H-benzo[d][1,2,3]triazol-1-yl)-3-(4-met..."	"COc1ccc(\C=C(/C#N)\n2nnc3cc(Cl)ccc23)cc1"	0	NA	NA	2	2	NA	""
"816684"	"816684"	"(E)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-(isoquinolin-5-..."	"N#C\C(=C/c1cccc2cnccc12)\N3N=NC4C=CC=CC34"	0	NA	NA	1	1	NA	""
"816687"	"816687"	"(E)-3-(4-bromophenyl)-2-(4-fluoro-1H-benzo[d][1,2,3]tria..."	"Fc1cccc2c1nnn2\C(=C\c3ccc(Br)cc3)\C#N"	0	NA	NA	1	1	NA	""
"816708"	"816708"	""	"NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2c4cnn(c4)c5ccccc5)cc1"	0	NA	NA	2	1	NA	""
"816863"	"816863"	"LY3295668"	"C[C@@H]1C[C@@](Cc2nc(Nc3cc(C)[nH]n3)ccc2F)(CCN1Cc4cccc(Cl)c4F)C(=O)O"	0	NA	NA	2	2	NA	"1919888064"
"816931"	"816931"	"ethyl 2-(4-(((5-bromothiophen-2-yl)sulfonyl)oxy)-3-formy..."	"CCOC(=O)c1sc(nc1C)c2ccc(OS(=O)(=O)c3ccc(Br)s3)c(C=O)c2"	0	NA	NA	1	1	NA	""
"816932"	"816932"	"ethyl 2-(4-(((((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept..."	"CCOC(=O)c1sc(nc1C)c2ccc(OS(=O)(=O)C[C@]34CCC(CC3=O)C4(C)C)c(C=O)c2"	0	NA	NA	2	1	NA	""
"816940"	"816940"	"4-(2-isothiocyanatoethyl)benzenesulfonamide"	"NS(=O)(=O)c1ccc(CCN=C=S)cc1"	0	NA	NA	1	1	NA	""
"816966"	"816966"	"1,3-bis(naphthalen-2-ylmethyl)-2-phenyl-1H-benzimidazoli..."	"C(c1ccc2ccccc2c1)[n+]3c(c4ccccc4)n(Cc5ccc6ccccc6c5)c7ccccc37"	0	NA	NA	2	2	NA	""
"816967"	"816967"	"2-(naphthalen-2-yl)-1,3-bis(naphthalen-2-ylmethyl)-1H-be..."	"C(c1ccc2ccccc2c1)[n+]3c(c4ccc5ccccc5c4)n(Cc6ccc7ccccc7c6)c8ccccc38"	0	NA	NA	2	2	NA	""
"816968"	"816968"	"2-phenyl-1,3-bis(quinolin-2-ylmethyl)-1H-benzimidazolium..."	"C(c1ccc2ccccc2n1)[n+]3c(c4ccccc4)n(Cc5ccc6ccccc6n5)c7ccccc37"	0	NA	NA	2	2	NA	""
"816969"	"816969"	"2-(naphthalen-2-yl)-1,3-bis(quinolin-2-ylmethyl)-1H-benz..."	"C(c1ccc2ccccc2n1)[n+]3c(c4ccc5ccccc5c4)n(Cc6ccc7ccccc7n6)c8ccccc38"	0	NA	NA	2	2	NA	""
"816977"	"816977"	"3-(4-(dimethylamino)phenyl)-2-(1-methyl-1H-indol-2-yl)ac..."	"CN(C)c1ccc(\C=C(/C#N)\c2cc3ccccc3n2C)cc1"	0	NA	NA	2	2	NA	""
"816979"	"816979"	"3-(4-methoxyphenyl)-2-(1-methyl-1H-indol-2-yl)acrylonitrile"	"COc1ccc(\C=C(/C#N)\c2cc3ccccc3n2C)cc1"	0	NA	NA	2	2	NA	""
"816987"	"816987"	"Trilaciclib dihydrochloride"	"CN1CCN(CC1)c2ccc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)nc2"	0	NA	NA	1	1	NA	"1977495978"
"817017"	"817017"	"2,7-bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl..."	"O=C1N(CCCN2CCOCC2)C(=O)c3cc(NCCN4CCCC4)c5C(=O)N(CCCN6CCOCC6)C(=O)c7ccc1c3c57"	0	NA	NA	2	2	NA	""
"817018"	"817018"	"2,7-bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl..."	"O=C1N(CCCN2CCOCC2)C(=O)c3c(cc4C(=O)N(CCCN5CCOCC5)C(=O)c6c(NCCN7CCCC7)cc1c3c46)c8ccc(CN9CCCC9)cc8"	0	NA	NA	2	2	NA	""
"817040"	"817040"	"Belvarafenib"	"Cc1ccc2c(Nc3cccc(Cl)c3F)ncc(NC(=O)c4csc5c(N)ncnc45)c2c1"	0	NA	NA	2	2	NA	"1446113230"
"817043"	"817043"	"AZD-7648"	"CN1C(=O)N(C2CCOCC2)c3nc(Nc4cn5ncnc5cc4C)ncc13"	0	NA	NA	1	1	NA	"2230820116"
"817058"	"817058"	""	"C[Pt]1(c2cc(F)cc(F)c2c3ccccn3)P(C4=CC=CC4[Fe]C5C=CC=C5P1(c6ccccc6)c7ccccc7)(c8ccccc8)c9ccccc9"	0	NA	NA	1	1	NA	""
"817065"	"817065"	"ethyl 3-(4-(1-methyl-1H-indol-3-yl)-2-oxo-2,5-dihydrofur..."	"CCOC(=O)n1cc(C2=C(COC2=O)c3cn(C)c4ccccc34)c5ccccc15"	0	NA	NA	2	2	NA	""
"817066"	"817066"	""	"CCN1CCN(CC1)c2ccc(Nc3ncc4ccc5ncn(C(C)C)c5c4n3)nc2"	0	NA	NA	2	2	NA	""
"817116"	"817116"	"KD-MELK-1e"	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc(OC)cc5)\c2c1"	0	NA	NA	1	1	NA	""
"817117"	"817117"	"KD-MELK-1i"	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc6OCOc6c5)\c2c1"	0	NA	NA	2	2	NA	""
"817118"	"817118"	""	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5cccc(OC)c5)\c2c1"	0	NA	NA	2	2	NA	""
"817120"	"817120"	"KD-MELK-1s"	"COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccc(C)cc5)\c2c1"	0	NA	NA	2	2	NA	""
"817121"	"817121"	""	"CCc1ccc(cc1)\C(=C/2\C(=O)Nc3ccc(cc23)C(=O)OC)\Nc4ccc(cc4)N(C)C(=O)CN5CCN(C)CC5"	0	NA	NA	2	2	NA	""
"817124"	"817124"	"5-Chloro-2-[(E)-2-[phenyl(pyridin-2​-yl)methylidene]hydr..."	"Clc1ccc(N\N=C(/c2ccccc2)\c3ccccn3)nc1"	0	NA	NA	2	2	NA	"199596059"
"817126"	"817126"	""	"CC\C(=N/Nc1nc2ccccc2n1C)\c3ccccn3"	0	NA	NA	2	2	NA	""
"817127"	"817127"	""	"N(N=C(c1ccccn1)c2ccccn2)c3oc4ccccc4n3"	0	NA	NA	2	2	NA	""
"817128"	"817128"	""	"Clc1ccc(N\N=C\c2ccccn2)nc1"	0	NA	NA	2	1	NA	""
"817129"	"817129"	""	"C\C(=N/Nc1ccc(Cl)cn1)\c2ccccn2"	0	NA	NA	2	2	NA	""
"817131"	"817131"	""	"C\C(=N/Nc1ccc(Cl)cn1)\c2ccc3ccccc3n2"	0	NA	NA	1	1	NA	""
"817272"	"817272"	""	"Oc1c(cc(Cl)c(OCc2ccc(Cl)cc2)c1c3ccc(Cl)c(c3)C(F)(F)F)c4cc(n[nH]4)C(F)(F)F"	0	NA	NA	2	2	NA	""
"817275"	"817275"	"BAY1895344"	"C[C@@H]1COCCN1c2cc(c3ccnn3C)c4ccnc(c5ccn[nH]5)c4n2"	0	NA	NA	2	2	NA	"1876467741"
"817385"	"817385"	""	"Fc1cnccc1c2nc3ccc4[nH]ncc4c3c5CCCCc25"	0	NA	NA	1	1	NA	""
"817386"	"817386"	""	"COc1c(cccc1c2nc3c(F)cc4[nH]nc(C)c4c3c5CCCCc25)B(O)O"	0	NA	NA	2	2	NA	""
"817388"	"817388"	""	"Fc1n[nH]c2ccc(cc12)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	1	1	NA	""
"817389"	"817389"	""	"Nc1n[nH]c2ccc(cc12)[C@@H]3Nc4c(F)cc5[nH]ncc5c4[C@H]6C7CCC(C7)[C@@H]36"	0	NA	NA	2	2	NA	""
"817390"	"817390"	""	"Nc1nc2ccc(cc2s1)[C@@H]3Nc4ccc5[nH]ncc5c4[C@H]6[C@H]7CCC(C7)[C@@H]36"	0	NA	NA	2	1	NA	""
"817391"	"817391"	""	"CN1CCN(Cc2ccc(NC(=O)c3cncc(c3)C#Cc4ncc5ccccn45)cc2C(F)(F)F)CC1"	0	NA	NA	1	1	NA	""
"817396"	"817396"	"7-chloro-3-phenyl-3,4-dihydroacridin-1(2H)-one"	"Clc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	NA	""
"817398"	"817398"	"7-bromo-3-phenyl-3,4-dihydroacridin-1 (2H)-one"	"Brc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	NA	""
"817401"	"817401"	"7-Methoxy-3-(trifluoromethyl)-3,4-dihydroacridin-1 (2H)-one"	"COc1ccc2nc3CC(CC(=O)c3cc2c1)C(F)(F)F"	0	NA	NA	2	2	NA	""
"817402"	"817402"	"7-Methoxy-3-phenyl-3,4-dihydroacridin-1 (2H)-one"	"COc1ccc2nc3CC(CC(=O)c3cc2c1)c4ccccc4"	0	NA	NA	2	2	NA	""
"817496"	"817496"	""	"OC1=NC(c2ccccc2[N+](=O)[O-])c3sc4c(F)cccc4c3C1C#N"	0	NA	NA	2	2	NA	""
"817903"	"817903"	""	"ClC(Cl)C(=O)N1C\C(=C/c2ccccc2)\C(=O)\C(=C\c3ccccc3)\C1"	0	NA	NA	2	2	NA	""
"817904"	"817904"	""	"Cc1ccc(\C=C\2/CN(C\C(=C/c3ccc(C)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	2	2	NA	""
"817905"	"817905"	""	"Fc1ccccc1\C=C\2/CN(C\C(=C/c3ccccc3F)\C2=O)C(=O)C(Cl)Cl"	0	NA	NA	2	2	NA	""
"817906"	"817906"	""	"Fc1cccc(\C=C\2/CN(C\C(=C/c3cccc(F)c3)\C2=O)C(=O)C(Cl)Cl)c1"	0	NA	NA	2	2	NA	""
"817907"	"817907"	""	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	2	2	NA	""
"817908"	"817908"	""	"Fc1ccc(\C=C\2/CN(C\C(=C/c3ccc(F)c(F)c3)\C2=O)C(=O)C(Cl)Cl)cc1F"	0	NA	NA	2	2	NA	""
"817909"	"817909"	""	"ClC(Cl)C(=O)N1C\C(=C/c2ccc(Cl)cc2)\C(=O)\C(=C\c3ccc(Cl)cc3)\C1"	0	NA	NA	2	2	NA	""
"817910"	"817910"	""	"ClC(Cl)C(=O)N1C\C(=C/c2ccc(Cl)c(Cl)c2)\C(=O)\C(=C\c3ccc(Cl)c(Cl)c3)\C1"	0	NA	NA	2	2	NA	""
"817911"	"817911"	""	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)cc3)\C2=O)C(=O)C(Cl)Cl)cc1"	0	NA	NA	1	1	NA	""
"817912"	"817912"	""	"COc1ccc(\C=C\2/CN(C\C(=C/c3ccc(OC)c(OC)c3)\C2=O)C(=O)C(Cl)Cl)cc1OC"	0	NA	NA	2	2	NA	""
"817918"	"817918"	"Benzhydroxamic acid conjugate of C20-oxo-salinomycin"	"CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)C(CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)C(=O)C=C3)[C@H](C)C[C@@H]2C)C(=O)ONC(=O)c6ccccc6"	0	NA	NA	2	2	NA	""
"818002"	"818002"	"SCH900353"	"CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncn(C)n4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(OC(C)C)nc7)c6c5"	0	NA	NA	2	2	NA	"1184173736"
"818003"	"818003"	"ASN002"	"OC1CCN(CC1)c2ccc(Nc3nc(nc4C=NNC(=O)c34)N5CCC(CC#N)CC5)cc2"	0	NA	NA	2	2	NA	"1425381607"
"818432"	"818432"	"M-3258"	"OB(O)[C@H](Cc1coc2ccccc12)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4"	0	NA	NA	1	1	NA	"2285330154"
"818433"	"818433"	"Sotorasib"	"CC(C)c1nccc(C)c1N2C(=O)N=C(N3CCN(C[C@@H]3C)C(=O)C=C)c4cc(F)c(nc24)c5c(O)cccc5F"	0	NA	NA	1	1	NA	"2252403566"
"818434"	"818434"	"LOXO-292"	"COc1ccc(CN2C3CC2CN(C3)c4ccc(cn4)c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn1"	0	NA	NA	1	1	NA	"2152628334"
"818619"	"818619"	"CCS-1477"	"CO[C@@H]1CC[C@H](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[C@@H]5CCCC(=O)N5c6ccc(F)c(F)c6"	0	NA	NA	1	1	NA	"2222941377"
"818620"	"818620"	"ODM-207"	"COc1cc2N(Cc3ccccn3)C(=O)C(=Cc2cc1c4c(C)onc4C)C"	0	NA	NA	1	1	NA	"1801503934"
"818621"	"818621"	"FT-2102"	"C[C@H](NC1=CC=C(C#N)N(C)C1=O)c2cc3cc(Cl)ccc3nc2O"	0	NA	NA	1	1	NA	"1887014121"
"819210"	"819210"	"AZD-3458"	"C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)S(=O)(=O)C)c4sc(NC(=O)C)nc4C"	0	NA	NA	1	1	NA	"2132961465"
"819558"	"819558"	"MRTX-1257"	"CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O)C=C)c5cccc6cccc(C)c56"	0	NA	NA	1	1	NA	"2206736049"
"819610"	"819610"	"Imidazole ketone erastin"	"CC(C)Oc1ccc(cc1N2C(=Nc3ccccc3C2=O)CN4CCN(CC4)C(=O)COc5ccc(Cl)cc5)C(=O)Cn6ccnc6"	0	NA	NA	2	2	NA	"1801530119"
"820052"	"820052"	"E-7386"	"CCN1CCN(CC1)C2CN(C2)c3cccc(CN4C[C@H]5N([C@@H](Cc6ccc(O)cc6F)C4=O)C(=O)CN(CC=C)N5C(=O)NCc7ccccc7)n3"	0	NA	NA	2	2	NA	"1799824080"
"820784"	"820784"	"TAK-981 oxalate"	"Cc1sc(cc1[C@@H]2NCCc3ccc(Cl)cc23)C(=O)c4cncnc4N[C@H]5C[C@H](O)[C@@H](COS(=O)(=O)N)C5"	0	NA	NA	2	2	NA	""
"820832"	"820832"	"TPX-0022"	"CCN1Cc2c(O[C@@H](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N"	0	NA	NA	1	1	NA	"2271119265"
"820918"	"820918"	"BCL-201 diHCl"	"Oc1ccc(cc1)N(C(=O)c2cc(c3cc4OCOc4cc3C(=O)N5Cc6ccccc6C[C@H]5CN7CCOCC7)n8CCCCc28)c9ccccc9"	0	NA	NA	1	1	NA	"1448525914"
"820919"	"820919"	"NVP-BHG712"	"Cc1ccc(cc1Nc2nc(nc3c2cnn3C)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F"	0	NA	NA	1	1	NA	"940310850"
"821656"	"821656"	"THZ-531 HCl"	"CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45"	0	NA	NA	2	2	NA	""
"823658"	"823658"	"AB-928"	"Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N"	0	NA	NA	1	1	NA	"2239273346"
"823659"	"823659"	"CB-103"	"CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1"	0	NA	NA	1	1	NA	"218457671"
"823807"	"823807"	"Zanubrutinib"	"NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1c4ccc(Oc5ccccc5)cc4"	0	NA	NA	2	2	NA	"1691249452"
"824183"	"824183"	"R-428"	"Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5"	0	NA	NA	1	1	NA	"1037624751"
"824184"	"824184"	"CA-4948"	"Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3N5CC[C@@H](O)C5)N6CCOCC6"	0	NA	NA	1	1	NA	"1801344148"
"824723"	"824723"	"BAY-293"	"CNCc1ccccc1c2csc(c2)[C@@H](C)Nc3nc(C)nc4cc(OC)c(OC)cc34"	0	NA	NA	1	1	NA	"2244904707"
"825088"	"825088"	"GSK-3484862"	"CCc1c(C#N)c(S[C@@H](C(=O)N)c2ccccc2)nc(N(C)C)c1C#N"	0	NA	NA	1	1	NA	"2170136657"
"825089"	"825089"	"THZ-1"	"CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45)c2"	0	NA	NA	2	2	NA	"1604810834"
"825151"	"825151"	"GS-5734"	"CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c2ccc3c(N)ncnn23)Oc4ccccc4"	0	NA	NA	1	1	NA	"1809249373"
"825217"	"825217"	"PT2977"	"CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3[C@@H](F)[C@@H](F)[C@@H](O)c13"	0	NA	NA	1	1	NA	"1672668244"
"825254"	"825254"	"Halaven"	"CO[C@H]1[C@@H](C[C@H](O)CN)O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@@H]8[C@@H](O[C@H]9CC[C@H](CC(=O)C[C@H]12)O[C@@H]9[C@@H]8O5)[C@@H]7O6)CC4=C)C[C@@H](C)C3=C"	0	NA	NA	2	2	NA	"441045176"
"825286"	"825286"	"BI-3406"	"COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]4CCOC4"	0	NA	NA	1	1	NA	"2230836550"
"825331"	"825331"	"Darolutamide"	"C[C@@H](Cn1ccc(n1)c2ccc(C#N)c(Cl)c2)NC(=O)c3cc([nH]n3)C(C)O"	0	NA	NA	1	1	NA	"1297538329"
"825332"	"825332"	"Dxd"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c5[C@H](CCc6c(C)c(F)cc(nc34)c56)NC(=O)CO)C2=O"	0	NA	NA	2	2	NA	"1599440331"
"825519"	"825519"	"Mobocertinib"	"COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34"	0	NA	NA	2	2	NA	"1847461431"
"825520"	"825520"	"BMS-986165"	"[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc3cccc(c3OC)c4ncn(C)n4"	0	NA	NA	1	1	NA	"1609392279"
"825521"	"825521"	"ODM-203"	"Cn1cc(cn1)c2ccc3c(c2)ncn3c4cc(NS(=O)(=O)C5CC5)cc(c4)c6ccc(F)cc6F"	0	NA	NA	1	1	NA	"1430723355"
"825523"	"825523"	"TNO-155"	"C[C@@H]1OCC2(CCN(CC2)c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)[C@@H]1N"	0	NA	NA	2	2	NA	"1801765047"
"825713"	"825713"	"BAY-2416964"	"C[C@@H](CO)NC(=O)C1=CC(=NN(C1=O)c2cnn(C)c2)c3ccc(Cl)cc3"	0	NA	NA	1	1	NA	"2242464442"
"825827"	"825827"	"Cerdulatinib"	"CCS(=O)(=O)N1CCN(CC1)c2ccc(Nc3ncc(C(=O)N)c(NC4CC4)n3)cc2"	0	NA	NA	1	1	NA	"1198300796"
"825956"	"825956"	"RBN-2397"	"C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F"	0	NA	NA	2	2	NA	"2381037825"
"826040"	"826040"	"OT-82"	"Fc1ccc(cc1)C#Cc2cc(ccc2c3ccncc3)C(=O)NCCCc4cn[nH]c4"	0	NA	NA	2	2	NA	"1800487551"
"826119"	"826119"	"PF-06952229"	"CC(C)c1cnc(cc1Nc2ccncc2C(=O)NC(CO)CO)c3cc(Cl)ccc3F"	0	NA	NA	1	1	NA	"1801333550"
"827275"	"827275"	"Giredestrant"	"C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c4c(F)cc(NC5CN(CCCF)C5)cc4F"	0	NA	NA	1	1	NA	"1953133475"
"827675"	"827675"	"SAR-439859"	"OC(=O)c1ccc2C(=C(CCCc2c1)c3ccc(Cl)cc3Cl)c4ccc(O[C@H]5CCN(CCCF)C5)cc4"	0	NA	NA	1	1	NA	"2114339578"
"827676"	"827676"	"JAB-3068"	"CC(=O)N1CC(F)(F)c2c(Sc3ncc(nc3N)N4CCC5(CC4)COC[C@H]5N)cccc12"	0	NA	NA	1	1	NA	"2169223485"
"827886"	"827886"	"MSC2360844"	"Fc1cccc2c3c(CS(=O)(=O)c12)c(nn3c4ccc(CN5CCOCC5)cc4)C(=O)N6CCOCC6"	0	NA	NA	1	1	NA	"1305267371"
"828250"	"828250"	"CC-90009"	"FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C3CCC(=O)NC3=O)c4ccc(Cl)cc4"	0	NA	NA	2	2	NA	"1860875519"
"828251"	"828251"	"BMS-986142"	"CN1C(=O)N(C(=O)c2cccc(F)c12)c3cccc(c3C)c4c(F)cc(C(=O)N)c5[nH]c6C[C@H](CCc6c45)C(C)(C)O"	0	NA	NA	1	1	NA	"1643368584"
"828252"	"828252"	"XL-092"	"CNC(=O)c1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)ccnc2cc1OC"	0	NA	NA	1	1	NA	"2367004542"
"828316"	"828316"	"DCC-3014"	"CC(C)NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cnn(C)c4)c(C)n2"	0	NA	NA	1	1	NA	"1628606052"
"828318"	"828318"	"PQR-626"	"C[C@@H]1COCCN1c2nc(nc(n2)c3cnc(N)cc3C(F)F)N4[C@H](C)COC[C@@H]4C"	0	NA	NA	2	2	NA	"1927857984"
"828319"	"828319"	"ASN-007"	"Cc1cnc(NC2CCOCC2)nc1n3cnc(c3)C(=O)N[C@H](CN)c4cc(F)cc(Cl)c4"	0	NA	NA	2	2	NA	"2055597129"
"828583"	"828583"	"MSA-2"	"COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O"	0	NA	NA	1	1	NA	"129425816"
"828584"	"828584"	"Zotatifin"	"COc1cc2O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]3(O)c2c(OC)n1)c4ccccc4)c5ccc(cc5)C#N"	0	NA	NA	2	1	NA	"2098191536"
"828717"	"828717"	"AZD-9833"	"C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c4ccc(NC5CN(CCCF)C5)cn4"	0	NA	NA	1	1	NA	"2222844893"
"828852"	"828852"	"AZ12672857"	"CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cccc6[nH]ncc56"	0	NA	NA	2	2	NA	"945396554"
"828853"	"828853"	"FT-6876"	"COC(=O)N1[C@@H](C)CCc2c1ccc3c2nc(Cc4ccccc4)n3[C@H]5CCC[C@@H](C5)C(=O)O"	0	NA	NA	1	1	NA	"2304416917"
"828939"	"828939"	"BDTX-189"	"Clc1cc(Nc2ncnc3cc(OCCN4CCOCC4)c(NC(=O)C=C)cc23)ccc1OCc5ccccn5"	0	NA	NA	2	2	NA	"2414572475"
"829066"	"829066"	"Exatecan mesylate"	"CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c3nc5cc(F)c(C)c6CC[C@H](N)c4c56)C2=O"	0	NA	NA	2	2	NA	"169869903"
"829497"	"829497"	"Isomer of PT-2977"	"CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c3[C@H](F)[C@@H](F)[C@@H](O)c13"	0	NA	NA	1	1	NA	"1672668517"
"829498"	"829498"	"Fruquintinib"	"CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12"	0	NA	NA	1	1	NA	"1194506267"
"830173"	"830173"	"Mevociclib"	"CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]2(C)CCC[C@H](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45"	0	NA	NA	2	2	NA	"1816989168"
"830201"	"830201"	"ARQ-531"	"OC[C@@H]1CC[C@H](CO1)Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23"	0	NA	NA	2	2	NA	"2095393158"
"830202"	"830202"	"BMS-1166"	"Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN4C[C@H](O)C[C@@H]4C(=O)O)cc2Cl)cccc1c5ccc6OCCOc6c5"	0	NA	NA	1	1	NA	"1818314883"
"830368"	"830368"	"Flumatinib mesylate"	"CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc3cnc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1"	0	NA	NA	1	1	NA	"895519912"
"830912"	"830912"	"IPN-60090"	"CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1"	0	NA	NA	2	2	NA	"1853164836"
"831147"	"831147"	"(-)-TK216"	"OC1(CC(=O)c2ccc(cc2)C3CC3)C(=O)Nc4c(Cl)ccc(Cl)c14"	0	NA	NA	2	2	NA	"1903783787"
"831270"	"831270"	"APG-115"	"CCN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]3(C(=O)Nc4cc(Cl)ccc34)C15CCCCC5)C(=O)NC67CCC(CC6)(CC7)C(=O)O"	0	NA	NA	2	2	NA	"1818393166"
"831271"	"831271"	"JNJ-63576253 HCl"	"FC(F)(F)c1cc(cnc1C#N)N2C(=S)N(c3ccc(OC4CCNCC4)nc3)C5(CCC5)C2=O"	0	NA	NA	1	1	NA	"2110428641"
"831453"	"831453"	"MRTX-849"	"CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O)C(=C)F)c5cccc6cccc(Cl)c56"	0	NA	NA	2	1	NA	"2326521713"
"832046"	"832046"	"E-7766 diammonium salt"	"F[C@@H]1[C@@H]2O[P@](=O)(S)OC[C@H]3O[C@@H]4[C@H](F)[C@@H]3O[P@@](=O)(S)OC[C@H]2O[C@H]1n5cnc6c(NC\C=C\CNc7ncnc8c7ncn48)ncnc56"	0	NA	NA	2	2	NA	"2242635023"
"832261"	"832261"	"Samuraciclib HCl"	"CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]4CCNC[C@@H]4O)nc12"	0	NA	NA	2	2	NA	"1805789541"
"832262"	"832262"	"STF-118804"	"Cc1ccc(cc1)S(=O)(=O)Cc2nc(oc2C)c3ccc(cc3)C(=O)NCc4cccnc4"	0	NA	NA	2	2	NA	"894187612"
"832263"	"832263"	"Monomethyl auristatin E"	"CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C"	0	NA	NA	2	2	NA	"474645277"
"832522"	"832522"	"M-4205"	"Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2"	0	NA	NA	1	1	NA	"2590556800"
"832523"	"832523"	"Anlotinib"	"COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC5(N)CC5"	0	NA	NA	1	1	NA	"1058156903"
"832937"	"832937"	"PF-07104091"	"COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]3CC[C@H](C3)OC(=O)NC(C)C)n(C)n1"	0	NA	NA	1	1	NA	"2460249196"
"832938"	"832938"	"PF-06939999 2HCl"	"Cc1ncnc2c1ccn2[C@@H]3C[C@H](Oc4cc(C(F)F)c(F)c5CCNCc45)[C@@H](O)[C@H]3O"	0	NA	NA	1	1	NA	"2159123143"
"833292"	"833292"	"RSL3"	"COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c4ccc(cc4)C(=O)OC"	0	NA	NA	2	2	NA	"1219810168"
"833390"	"833390"	"RMC-0331"	"COC1(CCOCC1)C(=O)N2Cc3nc(Cl)nc(N[C@H](C)c4cc(N)cc(c4)C(F)(F)F)c3C2"	0	NA	NA	2	2	NA	"2488788527"
"833745"	"833745"	"FT-206"	"Cc1ccc2c(N)c(sc2n1)C(=O)N[C@H]3CCc4cc(ccc4C3)N5CC6CCC(C5)N6"	0	NA	NA	2	1	NA	"2278274341"
"833899"	"833899"	"Iberdomide"	"O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1"	0	NA	NA	1	1	NA	"1323403333"
"833900"	"833900"	"5-Iminodaunorubicin hydrochloride"	"COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=N)c12)C(=O)C"	0	NA	NA	2	2	NA	"67324996"
"833973"	"833973"	"Seclidemstat"	"CN1CCN(CC1)S(=O)(=O)c2cccc(c2)C(=O)N\N=C(/C)\c3cc(Cl)ccc3O"	0	NA	NA	2	2	NA	"1423715370"
"834160"	"834160"	"CG806"	"Cc1c[nH]c(n1)c2ccc(c3CNC(=O)c23)c4ccc(NC(=O)Nc5c(F)cc(F)cc5F)cc4F"	0	NA	NA	2	2	NA	"1616428239"
"834161"	"834161"	"KB-0742 2HCl"	"CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n3nccc3n1"	0	NA	NA	1	1	NA	"2416874752"
"834197"	"834197"	"APG-1387"	"CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)S(=O)(=O)c5cccc(c5)S(=O)(=O)N6CC[C@H]7CC[C@H](N7C(=O)[C@H](C6)NC(=O)[C@H](C)NC)C(=O)NC(c8ccccc8)c9ccccc9"	0	NA	NA	2	2	NA	"1570231898"
"834374"	"834374"	"AMPC"	"Cc1cc(cnc1F)c2ccc(cc2)C3C(=C(N)OC4=C3C(=O)Oc5ccccc45)C#N"	0	NA	NA	1	1	NA	"2254434336"
"834375"	"834375"	"S65487 HCl"	"Cc1c(cc(C#N)n1C)N(C(=O)c2cc(c3cc(Cl)ccc3C(=O)N4Cc5ccccc5C[C@H]4CN6CCOCC6)n(C)c2C)c7ccc(O)cc7"	0	NA	NA	1	1	NA	"1644543952"
"835418"	"835418"	"ART558"	"CN(C(=O)[C@@H]1[C@H](O)CCN1c2nc(C)cc(c2C#N)C(F)(F)F)c3cccc(C)c3"	0	NA	NA	1	1	NA	"2603528976"
"835419"	"835419"	"GPX4-IN-3"	"ClCC(=O)N(C(C(=O)NCCc1ccccc1)c2csc3ccccc23)c4ccc(cc4)c5ocnc5"	0	NA	NA	2	2	NA	""
"835588"	"835588"	"Samuraciclib di-HCl"	"CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]4CCNC[C@@H]4O)nc12"	0	NA	NA	2	2	NA	""
"835589"	"835589"	"(S)-ErSO"	"Oc1ccc(cc1)[C@]2(C(=O)Nc3c(cccc23)C(F)(F)F)c4ccc(OC(F)(F)F)cc4"	0	NA	NA	1	1	NA	"2407860346"
"835773"	"835773"	"Pelcitoclax"	"CC(C)n1c(C)c(c(c2cc(F)cc(c2)N3CCN(CC3)c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(CC6)C(=O)OCCCP(=O)(O)O)CSc7ccccc7)c(c5)S(=O)(=O)C(F)(F)F)cc4)c1c8ccc(Cl)cc8)S(=O)(=O)C"	0	NA	NA	1	1	NA	"1619923362"
"835775"	"835775"	"CH-223191"	"Cc1ccccc1\N=N\c2ccc(NC(=O)c3ccnn3C)c(C)c2"	0	NA	NA	1	1	NA	"301326227"
"835776"	"835776"	"M4344"	"Nc1nn2cc(F)cnc2c1C(=O)Nc3cncc(F)c3N4CCC(CC4)C(=O)N5CCN(CC5)C6COC6"	0	NA	NA	2	2	NA	"1613191993"
"835818"	"835818"	"(R)-ErSO"	"Oc1ccc(cc1)[C@@]2(C(=O)Nc3c(cccc23)C(F)(F)F)c4ccc(OC(F)(F)F)cc4"	0	NA	NA	2	2	NA	"2407860357"
"836049"	"836049"	"CA3"	"ON=C1c2cc(ccc2c3ccc(cc13)S(=O)(=O)N4CCCCC4)S(=O)(=O)N5CCCCC5"	0	NA	NA	2	2	NA	"300802282"
"836407"	"836407"	"MRTX1133"	"Oc1cc(c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N6CC7CCC(C6)N7)c8c(C#C)c(F)ccc8c1"	0	NA	NA	1	1	NA	"2621928558"
"836439"	"836439"	"DS-6051b adipate"	"C[C@@H](N)COc1ccc(cc1)c2cnc3ccc(N[C@H](C)c4cccc(F)c4)nn23"	0	NA	NA	1	1	NA	"1505515694"
"836440"	"836440"	"ASTX-029"	"COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl"	0	NA	NA	2	2	NA	""
"836941"	"836941"	"INCB-086550"	"Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1c5cccc(c5C)c6oc7c(cc(CN8CC[C@H](C8)C(=O)O)cc7n6)C#N"	0	NA	NA	1	1	NA	"2230911596"
"837081"	"837081"	"GSK-3685032 HCl"	"CCc1c(C#N)c(SC(C(=O)N)c2ccccc2)nc(N3CCC(N)CC3)c1C#N"	0	NA	NA	1	1	NA	"2170137616"
"837396"	"837396"	"SY-5609"	"CC1(C)CC[C@@H](CN1)Nc2ncc(c(n2)c3c[nH]c4c(c(ccc34)C#N)P(=O)(C)C)C(F)(F)F"	0	NA	NA	2	2	NA	"2417302077"
"837397"	"837397"	"AS-0141"	"CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O\C(=C/c3c[nH]c4ncccc34)\C1=O"	0	NA	NA	1	1	NA	"1402057888"
"837398"	"837398"	"ZN-c3"	"CC[C@@]1(O)CCc2ccc(nc12)N3N(CC=C)C(=O)c4cnc(Nc5ccc(cc5)N6CCN(C)CC6)nc34"	0	NA	NA	2	2	NA	"2376146482"
"838377"	"838377"	"THI-0019"	"CCCC[C@@H](COC(=O)N(Cc1cccs1)Cc2cccs2)NC(=O)N[C@@H](CC(=O)OC)c3ccc4OCOc4c3"	0	NA	NA	1	1	NA	"1378532990"
"839102"	"839102"	"DS-96432529"	"CCOCCOC[C@H]1CCCN(C1)c2ccnc3sc(C(=O)N)c(N)c23"	0	NA	NA	1	1	NA	""
"839425"	"839425"	"M-1774"	"Cn1cncc1c2c(F)cncc2NC(=O)c3c(N)nn4cc(F)cnc34"	0	NA	NA	1	1	NA	""
"900016"	"900016"	"c(Xxx-Pro-Xxx-Xxx-Asp) where Xxx is an equimolar mixture..."	"OC(=O)CC1N[R][R]C(=O)C2CCCN2[R]C1=O"	0	NA	NA	1	1	NA	""
"900886"	"900886"	"c(Xxx-Xxx-Xxx-(D-Glu)-(D-Asp)-) where Xxx = D- or L-Pro,..."	"OC(=O)CCC1N[R][R][R]C(=O)C(CC(=O)O)NC1=O"	0	NA	NA	1	1	NA	""
"900893"	"900893"	"c(Xxx-Xxx-(D-Pro)-Xxx-(D-Asp)-)where Xxx = D- or L-Pro, ..."	"OC(=O)CC1N[R]C(=O)C2CCCN2[R][R]C1=O"	0	NA	NA	1	1	NA	""
"900900"	"900900"	"c(Xxx-(L-Val)-Xxx-Xxx-(D-Asp)-)where Xxx = D- or L-Pro, ..."	"CC(C)C1N[R]C(=O)C(CC(=O)O)N[R][R]C1=O"	0	NA	NA	1	1	NA	""
"900904"	"900904"	"c(Xxx-(L-Glu)-Xxx-Xxx-(D-Asp)-) where Xxx = D- or L-Pro,..."	"OC(=O)CCC1N[R]C(=O)C(CC(=O)O)N[R][R]C1=O"	0	NA	NA	1	1	NA	""
"900909"	"900909"	"c(Xxx-(D-Arg)-Xxx-Xxx-(D-Asp)-) where Xxx = D- or L-Pro,..."	"NC(=N)NCCCC1N[R]C(=O)C(CC(=O)O)N[R][R]C1=O"	0	NA	NA	1	1	NA	""
"900911"	"900911"	"c((L-Pro)-Xxx-Xxx-Xxx-(D-Asp)-) where Xxx = D- or L-Pro,..."	"OC(=O)CC1N[R][R][R]C(=O)C2CCCN2C1=O"	0	NA	NA	1	1	NA	""
"900922"	"900922"	"c((D-Leu)-Xxx-Xxx-Xxx-(D-Asp)-) where Xxx = D- or L-Pro,..."	"OC(=O)CCC1NC(=O)C(CC(=O)O)N[R][R][R]C1=O"	0	NA	NA	1	1	NA	""
"900964"	"900964"	"c(Xxx-Pro.psi.(CH2S)Gly-Xxx-Xxx-Asn), where Xxx = Tyr, L..."	"NC(=O)C1N[R][R]C(=O)CSCC2CCCN2[R]C1=O"	0	NA	NA	1	1	NA	""
"900974"	"900974"	"c(Xxx-Xxx-Pro.psi.(CH2S)Gly-Xxx-Xxx-Xxx-Asn), where Xxx ..."	"NC(=O)C1N[R][R][R]C(=O)CSCC2CCCN2[R][R]C1=O"	0	NA	NA	1	1	NA	""
"921923"	"921923"	"Library Li VI 21 [Ave MW=970]"	""	0	NA	NA	2	2	NA	""
