FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

BBL035220
Synonyms: 5-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
Smiles: NCc1nc(on1)C1CCC(=O)N1

BBL035221
Synonyms: 1-{[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl}pyridin-2(1H)-one
Smiles: NCCc1noc(n1)Cn1ccccc1=O

BBL035222
Synonyms: (2E)-6-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-1-benzofuran-3(2H)-one
Smiles: Oc1ccc2c(c1)O/C(=C/c1cccn1C)/C2=O

BBL035223
Synonyms: (1-benzyl-2,5-dioxoimidazolidin-4-yl)aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)Cc1ccccc1

BBL035224
Synonyms: 6,7-dimethoxy-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylicacid
Smiles: COc1c(OC)ccc2c1C(=O)N1C2SC(C1C(=O)O)(C)C

BBL035225
Synonyms: [4-(acetylamino)-1-aminocyclohexyl]aceticacid
Smiles: CC(=O)NC1CCC(CC1)(N)CC(=O)O

BBL035226
Synonyms: 5-oxo-5-(2-phenylmorpholin-4-yl)pentanoicacid
Smiles: OC(=O)CCCC(=O)N1CCOC(C1)c1ccccc1

BBL035227
Synonyms: 5-(3-carboxy-4-chlorophenyl)furan-2-carboxylicacid
Smiles: OC(=O)c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl

BBL035228
Synonyms: 3-chloro-4-{[(3-chlorophenyl)carbonyl]oxy}-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1cccc(c1)Cl)Cl)C(=O)O

BBL035229
Synonyms: 1-(methylsulfonyl)-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)S(=O)(=O)C

BBL035230
Synonyms: 4-{[(4-chlorophenyl)carbonyl]oxy}-3-methoxybenzoicacid
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)C(=O)O

BBL035231
Synonyms: 1-(4-fluorobenzyl)-1H-indole-6-carbonitrile
Smiles: N#Cc1ccc2c(c1)n(cc2)Cc1ccc(cc1)F

BBL035232
Synonyms: 1-[(3-butoxyphenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: CCCCOc1cccc(c1)C(=O)n1cc(c2c1cccc2)C#N

BBL035233
Synonyms: 1-(phenylcarbonyl)-1H-indole-6-carbonitrile
Smiles: N#Cc1ccc2c(c1)n(cc2)C(=O)c1ccccc1

BBL035234
Synonyms: 1-(phenylcarbonyl)-1H-indole-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccccc1

BBL035235
Synonyms: methyl4-(3-cyano-1H-indol-1-yl)-4-oxobutanoate
Smiles: COC(=O)CCC(=O)n1cc(c2c1cccc2)C#N

BBL035236
Synonyms: 3-chloro-4-{[(4-chlorophenyl)carbonyl]oxy}-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035237
Synonyms: 3-chloro-4-{[(4-chlorophenyl)sulfonyl]oxy}-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035238
Synonyms: 3-ethoxy-4-{[(4-methoxyphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)OC)C(=O)O

BBL035239
Synonyms: [2-(quinolin-5-ylamino)-1,3-thiazol-4-yl]aceticacid
Smiles: OC(=O)Cc1csc(n1)Nc1cccc2c1cccn2

BBL035240
Synonyms: (2-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}-1,3-thiazol-4-yl)aceticacid
Smiles: OC(=O)Cc1csc(n1)Nc1ccc(cc1)Cn1ncnc1

BBL035241
Synonyms: 3-bromo-5-(propan-2-yloxy)-1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazole
Smiles: CC(Oc1nc(nn1C1CCCCO1)Br)C

BBL035242
Synonyms: 2-acetyl-4-bromo-5-methyl-1,2-oxazol-3(2H)-one
Smiles: Cc1on(c(=O)c1Br)C(=O)C

BBL035243
Synonyms: 3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanoicacid
Smiles: COc1cc2C=CN(C(=O)Cc2cc1OC)CCC(=O)O

BBL035244
Synonyms: [3-bromo-5-(dimethylamino)-1H-1,2,4-triazol-1-yl]aceticacid
Smiles: CN(c1nc(nn1CC(=O)O)Br)C

BBL035245
Synonyms: 4-bromo-5-methyl-2-(phenylcarbonyl)-1,2-oxazol-3(2H)-one
Smiles: Cc1on(c(=O)c1Br)C(=O)c1ccccc1

BBL035246
Synonyms: 3-bromo-5-(2-methoxyethoxy)-1-(methoxymethyl)-1H-1,2,4-triazole
Smiles: COCCOc1nc(nn1COC)Br

BBL035247
Synonyms: methyl(3-bromo-5-hydroxy-1H-1,2,4-triazol-1-yl)acetate
Smiles: COC(=O)Cn1nc(nc1O)Br

BBL035248
Synonyms: (3-chloro-1H-1,2,4-triazol-1-yl)methanol
Smiles: OCn1cnc(n1)Cl

BBL035249
Synonyms: 2-bromo-7,8-dihydro[1,2,4]triazolo[5,1-b][1,5,3]dioxazepine
Smiles: Brc1nn2c(n1)OCCOC2

BBL035250
Synonyms: (3-bromo-5-methoxy-1H-1,2,4-triazol-1-yl)aceticacid
Smiles: COc1nc(nn1CC(=O)O)Br

BBL035251
Synonyms: (3-bromo-1H-1,2,4-triazol-1-yl)methanol
Smiles: OCn1cnc(n1)Br

BBL035252
Synonyms: (3,5-dibromo-1H-1,2,4-triazol-1-yl)methanol
Smiles: OCn1nc(nc1Br)Br

BBL035253
Synonyms: (2Z)-6-hydroxy-2-(3,4,5-trifluorobenzylidene)-1-benzofuran-3(2H)-one
Smiles: Oc1ccc2c(c1)O/C(=C\c1cc(F)c(c(c1)F)F)/C2=O

BBL035254
Synonyms: (3-hydroxy-1H-1,2,4-triazol-1-yl)aceticacid
Smiles: OC(=O)Cn1cnc(n1)O

BBL035255
Synonyms: 3-bromo-1-(chloromethyl)-1H-1,2,4-triazole
Smiles: ClCn1cnc(n1)Br

BBL035256
Synonyms: 3,5-dibromo-1-(chloromethyl)-1H-1,2,4-triazole
Smiles: ClCn1nc(nc1Br)Br

BBL035257
Synonyms: 5-bromo-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylicacid
Smiles: OC(=O)c1c(C)c(Br)c(n(c1=O)C)C

BBL035258
Synonyms: methyl5-bromo-3-cyano-6-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-4-carboxylate
Smiles: COC(=O)c1c(Br)c(CC(C)C)[nH]c(=O)c1C#N

BBL035259
Synonyms: methyl3-bromo-6-chloro-5-cyano-2-methylpyridine-4-carboxylate
Smiles: COC(=O)c1c(Br)c(C)nc(c1C#N)Cl

BBL035260
Synonyms: (3-bromo-5-methyl-1H-1,2,4-triazol-1-yl)aceticacid
Smiles: Cc1nc(nn1CC(=O)O)Br

BBL035261
Synonyms: [3-bromo-5-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]aceticacid
Smiles: OC(=O)Cn1nc(nc1OC(C)C)Br

BBL035262
Synonyms: 1-(5-amino-1-methyl-1H-benzimidazol-2-yl)-2,2-dimethylpropane-1,3-diol
Smiles: OCC(C(c1nc2c(n1C)ccc(c2)N)O)(C)C

BBL035263
Synonyms: (3-chloro-5-methyl-1H-1,2,4-triazol-1-yl)aceticacid
Smiles: Cc1nc(nn1CC(=O)O)Cl

BBL035264
Synonyms: 4-methyl-2-phenoxy-1,3-thiazole-5-carboxylicacid
Smiles: OC(=O)c1sc(nc1C)Oc1ccccc1

BBL035265
Synonyms: 3-(2-phenylethyl)-1H-pyrazole-5-carboxylicacid
Smiles: OC(=O)c1[nH]nc(c1)CCc1ccccc1

BBL035266
Synonyms: 6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Smiles: CCOc1ccc2c(c1)c1CCCC(c1[nH]2)N

BBL035267
Synonyms: 3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propanoicacid
Smiles: OC(=O)CCN1CCN(CC1)c1nccc(c1)C

BBL035269
Synonyms: methyl5-methyl-1H-1,2,4-triazole-3-carboxylate
Smiles: COC(=O)c1n[nH]c(n1)C

BBL035270
Synonyms: 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoicacid
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)CCC(=O)O

BBL035274
Synonyms: 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1ccccc1

BBL035275
Synonyms: 3-[(4S)-1-(4-methoxybenzyl)-2,5-dioxoimidazolidin-4-yl]propanoicacid
Smiles: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)O

BBL035276
Synonyms: 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)N(C1=O)Cc1ccco1

BBL035277
Synonyms: 4-bromo-5-propyl-1H-pyrazole-3-carboxylicacid
Smiles: CCCc1[nH]nc(c1Br)C(=O)O

BBL035278
Synonyms: 3-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl}propanoicacid
Smiles: COc1ccc(cc1OC)CCN1C(=O)NC(C1=O)CCC(=O)O

BBL035279
Synonyms: [1-(3,4-dimethoxybenzyl)-2,5-dioxoimidazolidin-4-yl]aceticacid
Smiles: COc1ccc(cc1OC)CN1C(=O)NC(C1=O)CC(=O)O

BBL035280
Synonyms: {1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl}aceticacid
Smiles: COc1ccc(cc1OC)CCN1C(=O)NC(C1=O)CC(=O)O

BBL035281
Synonyms: [1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]aceticacid
Smiles: COc1ccc(cc1)N1C(=O)NC(C1=O)CC(=O)O

BBL035282
Synonyms: 3-{2,5-dioxo-1-[4-(propan-2-yl)phenyl]imidazolidin-4-yl}propanoicacid
Smiles: OC(=O)CCC1NC(=O)N(C1=O)c1ccc(cc1)C(C)C

BBL035283
Synonyms: [2,5-dioxo-1-(3,4,5-trimethoxyphenyl)imidazolidin-4-yl]aceticacid
Smiles: COc1c(OC)cc(cc1OC)N1C(=O)NC(C1=O)CC(=O)O

BBL035284
Synonyms: {2,5-dioxo-1-[4-(propan-2-yl)phenyl]imidazolidin-4-yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1ccc(cc1)C(C)C

BBL035285
Synonyms: 3-[2,5-dioxo-1-(3,4,5-trimethoxyphenyl)imidazolidin-4-yl]propanoicacid
Smiles: COc1c(OC)cc(cc1OC)N1C(=O)NC(C1=O)CCC(=O)O

BBL035286
Synonyms: 3-{1-[3-(acetylamino)phenyl]-2,5-dioxoimidazolidin-4-yl}propanoicacid
Smiles: OC(=O)CCC1NC(=O)N(C1=O)c1cccc(c1)NC(=O)C

BBL035287
Synonyms: [1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-yl]aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)Cc1ccc(cc1)Cl

BBL035288
Synonyms: [1-(naphthalen-1-yl)-2,5-dioxoimidazolidin-4-yl]aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1cccc2c1cccc2

BBL035295
Synonyms: 1-(2-methylpropyl)-2-(pyrrolidin-2-yl)-1H-benzimidazole
Smiles: CC(Cn1c(nc2c1cccc2)C1CCCN1)C

BBL035296
Synonyms: 3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoicacid
Smiles: OC(=O)CC[C@@H]1NC(=O)c2c(NC1=O)cccc2

BBL035297
Synonyms: 4-bromo-1'-ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylicacid
Smiles: CCn1nc(c(c1C)c1[nH]nc(c1Br)C(=O)O)C

BBL035298
Synonyms: 1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-1-phenylmethanamine
Smiles: COCc1n[nH]c(n1)C(c1ccccc1)N

BBL035299
Synonyms: 4-bromo-5-(2-bromo-4,5-dimethoxyphenyl)-1H-pyrazole-3-carboxylicacid
Smiles: COc1cc(c(cc1OC)Br)c1[nH]nc(c1Br)C(=O)O

BBL035300
Synonyms: 5-chloro-3-[(3-methylbutyl)sulfonyl]-1,2,4-triazol-1-ide
Smiles: CC(CCS(=O)(=O)c1n[n-]c(n1)Cl)C

BBL035301
Synonyms: 1-(5-bromo-1H-1,2,4-triazol-3-yl)piperazine
Smiles: Brc1[nH]nc(n1)N1CCNCC1

BBL035302
Synonyms: N-[1-(methoxymethyl)-1H-1,2,4-triazol-5-yl]ethane-1,2-diamine
Smiles: COCn1ncnc1NCCN

BBL035303
Synonyms: 5-(4-fluorophenyl)-4-iodo-1H-pyrazole-3-carboxylicacid
Smiles: Fc1ccc(cc1)c1[nH]nc(c1I)C(=O)O

BBL035304
Synonyms: methyl4-bromo-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
Smiles: COC(=O)c1n[nH]c(c1Br)c1ccc(cc1)F

BBL035305
Synonyms: 2-(1H-benzimidazol-2-ylmethyl)-5-chloroaniline
Smiles: Clc1ccc(c(c1)N)Cc1nc2c([nH]1)cccc2

BBL035306
Synonyms: 4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxylicacid
Smiles: OC(=O)c1n[nH]c(c1Br)C1CC1

BBL035307
Synonyms: 4-bromo-5-butyl-1H-pyrazole-3-carboxylicacid
Smiles: CCCCc1c(Br)c(n[nH]1)C(=O)O

BBL035308
Synonyms: 4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methoxy]aniline
Smiles: Nc1ccc(cc1)OCc1[nH]nc(n1)C1CC1

BBL035309
Synonyms: {1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2

BBL035310
Synonyms: 4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanoicacid
Smiles: CSCCC(n1cccc1)C(=O)O

BBL035311
Synonyms: (1Z)-N'-hydroxy-3-(methylamino)propanimidamide
Smiles: CNCC/C(=N/O)/N

BBL035312
Synonyms: 3-bromo-1-(2-chloroethyl)-1H-1,2,4-triazole
Smiles: ClCCn1cnc(n1)Br

BBL035313
Synonyms: 2-[3-bromo-5-(dimethylamino)-1H-1,2,4-triazol-1-yl]ethanol
Smiles: OCCn1nc(nc1N(C)C)Br

BBL035315
Synonyms: [(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]aceticacid
Smiles: OC(=O)C[C@H]1NC(=O)c2c(NC1=O)cccc2

BBL035318
Synonyms: 3-(piperazin-1-yl)dihydrofuran-2(3H)-one
Smiles: O=C1OCCC1N1CCNCC1

BBL035319
Synonyms: 1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethanamine
Smiles: COCc1[nH]nc(n1)C(Cc1ccccc1)N

BBL035320
Synonyms: ethyl2-(4-aminopiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1CCC(CC1)N

BBL035321
Synonyms: 2-chloro-6-(piperidin-4-yloxy)pyridine
Smiles: Clc1cccc(n1)OC1CCNCC1

BBL035322
Synonyms: 2-phenyl-1-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]ethanamine
Smiles: NC(c1n[nH]c(n1)C(C)C)Cc1ccccc1

BBL035323
Synonyms: 1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-1-(4-methoxyphenyl)methanamine
Smiles: COCc1n[nH]c(n1)C(c1ccc(cc1)OC)N

BBL035324
Synonyms: 1'-(2-methoxyethyl)-3',5'-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylicacid
Smiles: COCCn1nc(c(c1C)c1[nH]nc(c1)C(=O)O)C

BBL035325
Synonyms: {1-[3-(acetylamino)phenyl]-2,5-dioxoimidazolidin-4-yl}aceticacid
Smiles: OC(=O)CC1NC(=O)N(C1=O)c1cccc(c1)NC(=O)C

BBL035326
Synonyms: 3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]aniline
Smiles: Nc1cccc(c1)Cc1c(C)nn(c1C)C

BBL035327
Synonyms: 5-(1-amino-2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Smiles: NC(c1n[nH]c(=O)[nH]1)Cc1ccccc1

BBL035331
Synonyms: 3-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: N1CC(C1)c1onc(n1)c1cccnc1

BBL035332
Synonyms: 5-(azetidin-3-yl)-3-(propan-2-yl)-1,2,4-oxadiazole
Smiles: CC(c1noc(n1)C1CNC1)C

BBL035333
Synonyms: 4-(1,3-benzodioxol-5-yloxy)pyridin-3-amine
Smiles: Nc1cnccc1Oc1ccc2c(c1)OCO2

BBL035334
Synonyms: 7-[(3-aminopyridin-4-yl)oxy]-4-methyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)Oc1ccncc1N

BBL035335
Synonyms: 3-(14-methyl-5-oxo-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-13(5H)-yl)propanoicacid
Smiles: OC(=O)CCn1c2ccccc2c2c1C1N(CC2)C(=O)c2c(N1C)cccc2

BBL035336
Synonyms: 3-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Oc1coc(cc1=O)CN1CC2CC(C1)c1n(C2)c(=O)ccc1

BBL035339
Synonyms: 5-methoxy-2-(piperazin-1-ylmethyl)-4H-pyran-4-one
Smiles: COc1coc(cc1=O)CN1CCNCC1

BBL035340
Synonyms: 7-amino-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
Smiles: O=C1Nc2ccc(cc2C(=O)N2C1CCC2)N

BBL035341
Synonyms: 9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione
Smiles: COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(=O)c2c1cc1OCOc1c2

BBL035342
Synonyms: 3-amino-N-ethyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Smiles: CCNC(=O)c1ccc(c(c1)N)N1CC2CC(C1)c1n(C2)c(=O)ccc1

BBL035343
Synonyms: spirost-5-en-3-ylhexanoate
Smiles: CCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2(O3)CCC(CO2)C)C)C1)C

BBL035347
Synonyms: methanethiolate
Smiles: [S-]C

BBL035348
Synonyms: carbamodithioate
Smiles: [S-]C(=S)N

BBL035355
Synonyms: 4-{[(4-chlorophenyl)carbonyl]oxy}benzoicacid
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O

BBL035356
Synonyms: 4-formyl-2-iodo-6-methoxyphenylbenzenesulfonate
Smiles: O=Cc1cc(I)c(c(c1)OC)OS(=O)(=O)c1ccccc1

BBL035357
Synonyms: 2,4-dibromo-6-formylphenyl4-methylbenzenesulfonate
Smiles: O=Cc1cc(Br)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br

BBL035358
Synonyms: 2,4-dibromo-6-formylphenyl4-chlorobenzenesulfonate
Smiles: O=Cc1cc(Br)cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Br

BBL035359
Synonyms: {4-[(3,4-dichlorobenzyl)oxy]phenyl}methanol
Smiles: OCc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl

BBL035360
Synonyms: 3-bromo-5-ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C(=O)O

BBL035361
Synonyms: 3-ethoxy-5-iodo-4-{[(4-methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)I)C(=O)O

BBL035362
Synonyms: 3-chloro-5-methoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)C(=O)O

BBL035363
Synonyms: 3-chloro-4-{[(4-chlorophenyl)carbonyl]oxy}-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Cl)C(=O)O

BBL035364
Synonyms: 3-bromo-4-{[(4-chlorophenyl)carbonyl]oxy}-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccc(cc1)Cl)Br)C(=O)O

BBL035365
Synonyms: 4-{[(2-chlorophenyl)carbonyl]oxy}-3-ethoxy-5-iodobenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1Cl)I)C(=O)O

BBL035366
Synonyms: (5E)-2,6-dihydroxy-5-(hydroxyimino)pyrimidin-4(5H)-one
Smiles: O/N=C/1\C(=NC(=NC1=O)O)O

BBL035367
Synonyms: 3-bromo-4-[(2-fluorobenzyl)oxy]benzaldehyde
Smiles: O=Cc1ccc(c(c1)Br)OCc1ccccc1F

BBL035368
Synonyms: 1-[2-(diethylamino)ethyl]-1H-benzimidazole-2-sulfonicacid
Smiles: CCN(CCn1c2ccccc2nc1S(=O)(=O)O)CC

BBL035369
Synonyms: 3,5-dichloro-2-(prop-2-en-1-yloxy)benzaldehyde
Smiles: C=CCOc1c(Cl)cc(cc1C=O)Cl

BBL035370
Synonyms: 3,4-diethoxy-5-iodobenzoicacid
Smiles: CCOc1cc(cc(c1OCC)I)C(=O)O

BBL035371
Synonyms: 4-ethoxy-3-iodo-5-methoxybenzoicacid
Smiles: CCOc1c(I)cc(cc1OC)C(=O)O

BBL035372
Synonyms: 3-ethoxy-5-iodo-4-propoxybenzoicacid
Smiles: CCCOc1c(I)cc(cc1OCC)C(=O)O

BBL035373
Synonyms: 3-iodo-5-methoxy-4-propoxybenzoicacid
Smiles: CCCOc1c(I)cc(cc1OC)C(=O)O

BBL035374
Synonyms: 3-ethoxy-5-iodo-4-methoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC)I)C(=O)O

BBL035375
Synonyms: 2-(4-chloro-2-formylphenoxy)-N-(2-methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1OC

BBL035376
Synonyms: 2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)c(c(c1)OC)OCC(=O)Nc1ccccc1OC

BBL035377
Synonyms: 2-(4-chloro-2-formylphenoxy)-N-(2-fluorophenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1F

BBL035378
Synonyms: 2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
Smiles: CCOc1cc(C=O)cc(c1OCC(=O)Nc1ccccc1OC)Cl

BBL035379
Synonyms: 2-(3-formylphenoxy)-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)COc1cccc(c1)C=O

BBL035380
Synonyms: 2-(4-chloro-2-formylphenoxy)-N-(4-methoxyphenyl)acetamide
Smiles: O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(cc1)OC

BBL035381
Synonyms: 2-(2-chloro-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)COc1ccc(cc1Cl)C=O

BBL035382
Synonyms: 2-(2-chloro-4-formylphenoxy)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)COc1ccc(cc1Cl)C=O

BBL035383
Synonyms: 2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
Smiles: N#Cc1c(C)cc(n(c1=O)CC(=O)Nc1ccc(cc1)OC(F)F)C

BBL035384
Synonyms: 3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)F)Cl)C(=O)O

BBL035385
Synonyms: 3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzoicacid
Smiles: Brc1cc(cc(c1OCc1ccccc1F)Br)C(=O)O

BBL035386
Synonyms: 4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccccc1C#N)I)C(=O)O

BBL035387
Synonyms: 1-[(4-fluorophenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1)F

BBL035388
Synonyms: 1-[(2-methoxyphenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: COc1ccccc1C(=O)n1cc(c2c1cccc2)C#N

BBL035389
Synonyms: 1-[(2-methylphenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccccc1C

BBL035390
Synonyms: 1-[(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)COc1ccc(cc1F)F

BBL035391
Synonyms: 1-{[3-(propan-2-yloxy)phenyl]carbonyl}-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)OC(C)C

BBL035392
Synonyms: 1-[(3-bromophenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)Br

BBL035393
Synonyms: 1-[(3-chlorophenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccc(c1)Cl

BBL035394
Synonyms: 1-[(2,4-dichlorophenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1Cl)Cl

BBL035395
Synonyms: 1-[(2-chloro-4-methylphenyl)carbonyl]-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1ccc(cc1Cl)C

BBL035396
Synonyms: 1-(thiophen-2-ylcarbonyl)-1H-indole-3-carbonitrile
Smiles: N#Cc1cn(c2c1cccc2)C(=O)c1cccs1

BBL035397
Synonyms: 2-oxo-2-(1,3-thiazol-2-ylamino)ethylthiocyanate
Smiles: N#CSCC(=O)Nc1nccs1

BBL035398
Synonyms: 3-{[(3-methoxyphenyl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoicacid
Smiles: COc1cccc(c1)C(=O)Nc1cc(ccc1N1CCN(CC1)C)C(=O)O

BBL035399
Synonyms: 4-[(2-chloro-6-fluorobenzyl)oxy]-3-ethoxy-5-iodobenzoicacid
Smiles: CCOc1cc(cc(c1OCc1c(F)cccc1Cl)I)C(=O)O

BBL035400
Synonyms: 3-chloro-5-methoxy-4-{[(4-methylphenyl)carbonyl]oxy}benzoicacid
Smiles: COc1cc(cc(c1OC(=O)c1ccc(cc1)C)Cl)C(=O)O

BBL035401
Synonyms: 1-(2-chloro-4-fluorobenzyl)-1H-indole-3-carboxylicacid
Smiles: Fc1ccc(c(c1)Cl)Cn1cc(c2c1cccc2)C(=O)O

BBL035402
Synonyms: 4-({[4-(acetylamino)phenyl]sulfonyl}oxy)-3-ethoxy-5-iodobenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)I)C(=O)O

BBL035403
Synonyms: 3-chloro-4-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
Smiles: Nc1ccc(c(c1)Cl)c1oc2c(n1)cc(c(c2)C)C

BBL035404
Synonyms: 4-(5-amino-3-benzyl-4-phenyl-1H-pyrazol-1-yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1nc(c(c1N)c1ccccc1)Cc1ccccc1

BBL035405
Synonyms: 3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
Smiles: O=Cc1ccc(c(c1)Cl)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

BBL035406
Synonyms: 4-bromo-2-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
Smiles: C=CCn1c(S)nnc1c1cc(Br)ccc1O

BBL035407
Synonyms: 2-[(2-bromo-4-formyl-6-methoxyphenoxy)methyl]benzonitrile
Smiles: O=Cc1cc(Br)c(c(c1)OC)OCc1ccccc1C#N

BBL035408
Synonyms: 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluorophenyl)acetamide
Smiles: CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1F

BBL035409
Synonyms: 2-(4-bromo-2-formylphenoxy)-N-(2-fluorophenyl)acetamide
Smiles: O=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1F

BBL035410
Synonyms: 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
Smiles: O=Cc1cc(Br)c(c(c1)OC)OCC(=O)Nc1ccccc1F

BBL035411
Synonyms: 2-(2-bromo-4-formylphenoxy)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)COc1ccc(cc1Br)C=O

BBL035412
Synonyms: 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-methoxyphenyl)acetamide
Smiles: CCOc1cc(C=O)cc(c1OCC(=O)Nc1ccc(cc1)OC)Br

BBL035413
Synonyms: 2-amino-6-methyl-5-propylpyrimidin-4-ol
Smiles: CCCc1c(C)nc(nc1O)N

BBL035414
Synonyms: 5-iodopyrimidine-2,4-diol
Smiles: Oc1ncc(c(n1)O)I

BBL035415
Synonyms: 3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
Smiles: CN(CC/C=C/1\c2ccccc2C=Cc2c1cccc2)C

BBL035416
Synonyms: 2-(4-chlorophenyl)-9-(3-chloropropyl)-9H-imidazo[1,2-a]benzimidazole
Smiles: ClCCCn1c2nc(cn2c2c1cccc2)c1ccc(cc1)Cl

BBL035417
Synonyms: 5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
Smiles: O=Cc1cc(Cl)ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

BBL035418
Synonyms: N-(2-aminoethyl)tridecanamide
Smiles: CCCCCCCCCCCCC(=O)NCCN

BBL035419
Synonyms: (2E)-4-oxo-4-{[2-(tridecanoylamino)ethyl]amino}but-2-enoicacid
Smiles: CCCCCCCCCCCCC(=O)NCCNC(=O)/C=C/C(=O)O

BBL035420
Synonyms: {diethyl[2-hydroxy-3-(tridecanoylamino)propyl]ammonio}acetate
Smiles: CCCCCCCCCCCCC(=O)NCC(C[N+](CC(=O)[O-])(CC)CC)O

BBL035421
Synonyms: N,N-diethyl-2-hydroxy-N-methyl-3-(tridecanoylamino)propan-1-aminium
Smiles: CCCCCCCCCCCCC(=O)NCC(C[N+](CC)(CC)C)O

BBL035422
Synonyms: 6-(4-benzylpiperidin-1-yl)-2-chloro-3-nitropyridine
Smiles: [O-][N+](=O)c1ccc(nc1Cl)N1CCC(CC1)Cc1ccccc1

BBL035423
Synonyms: 2-chloro-6-(3-methylpiperidin-1-yl)-3-nitropyridine
Smiles: CC1CCCN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035424
Synonyms: 2-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-nitropyridine
Smiles: CC1CC(C)CN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035425
Synonyms: 4-(6-chloro-5-nitropyridin-2-yl)-2,6-dimethylmorpholine
Smiles: CC1OC(C)CN(C1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035426
Synonyms: ethyl1-(6-chloro-5-nitropyridin-2-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035427
Synonyms: 1-(6-chloro-5-nitropyridin-2-yl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035428
Synonyms: 6-chloro-5-nitro-N,N-dipropylpyridin-2-amine
Smiles: CCCN(c1ccc(c(n1)Cl)[N+](=O)[O-])CCC

BBL035429
Synonyms: 6-chloro-N-(4-methoxyphenyl)-5-nitropyridin-2-amine
Smiles: COc1ccc(cc1)Nc1ccc(c(n1)Cl)[N+](=O)[O-]

BBL035430
Synonyms: N~6~,N~6~-dimethyl-3-nitropyridine-2,6-diamine
Smiles: CN(c1ccc(c(n1)N)[N+](=O)[O-])C

BBL035431
Synonyms: N~6~,N~6~-diethyl-3-nitropyridine-2,6-diamine
Smiles: CCN(c1ccc(c(n1)N)[N+](=O)[O-])CC

BBL035432
Synonyms: 9-(5-O-phosphonatopentofuranosyl)-9H-purin-6-amine
Smiles: OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)([O-])[O-]

BBL035433
Synonyms: N-[(E)-phenylmethylidene]benzene-1,2-diamine
Smiles: Nc1ccccc1/N=C/c1ccccc1

BBL035434
Synonyms: N-{4-[(2E)-3-phenylprop-2-enoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1

BBL035435
Synonyms: N-{4-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl}-4-methylbenzenesulfonamide
Smiles: COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C

BBL035436
Synonyms: N-(4-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C

BBL035437
Synonyms: N-{4-[(2E)-3-(4-ethylphenyl)prop-2-enoyl]phenyl}acetamide
Smiles: CCc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)NC(=O)C

BBL035438
Synonyms: methyl3-nitro-4-(phenylamino)benzoate
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1

BBL035439
Synonyms: ethyl5-(3-methoxy-2-propoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCCOc1c(OC)cccc1C1C(=C(C)N=C2N1C(=O)CS2)C(=O)OCC

BBL035440
Synonyms: methyl(5-formyl-2-methoxyphenoxy)acetate
Smiles: COc1ccc(cc1OCC(=O)OC)C=O

BBL035441
Synonyms: N-(4-amino-3-methoxyphenyl)cyclopropanecarboxamide
Smiles: COc1cc(ccc1N)NC(=O)C1CC1

BBL035442
Synonyms: 5-(1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol
Smiles: Sc1nnc(o1)c1cc2c(s1)cccc2

BBL035443
Synonyms: 2-[(5-formylfuran-2-yl)sulfanyl]pyridine-3-carbonitrile
Smiles: O=Cc1ccc(o1)Sc1ncccc1C#N

BBL035444
Synonyms: 4-{[(4-methylphenyl)carbonyl]oxy}benzoicacid
Smiles: Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O

BBL035445
Synonyms: 4-{[(4-methoxyphenyl)sulfonyl]oxy}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C(=O)O

BBL035446
Synonyms: methyl1-(phenylcarbonyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)c1ccccc1

BBL035447
Synonyms: bis(4-hydroxyphenyl)aceticacid
Smiles: OC(=O)C(c1ccc(cc1)O)c1ccc(cc1)O

BBL035448
Synonyms: 4-amino-N-(naphthalen-1-yl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc2c1cccc2

BBL035449
Synonyms: 4-amino-N-(4-bromophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Br

BBL035450
Synonyms: 4-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)Cl

BBL035451
Synonyms: 4-amino-N-(2,3-dichlorophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1Cl)Cl

BBL035452
Synonyms: 4-amino-N-(5-chloro-2-methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1C

BBL035453
Synonyms: 4-amino-N-(3-chloro-4-methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)C

BBL035454
Synonyms: 4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1Cl

BBL035455
Synonyms: 4-amino-N-(4-chloro-2-methylphenyl)benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)Cl

BBL035456
Synonyms: N-(3-aminophenyl)-N-methylmethanesulfonamide
Smiles: Nc1cccc(c1)N(S(=O)(=O)C)C

BBL035457
Synonyms: 8-chloronaphthalene-1-sulfonate
Smiles: Clc1cccc2c1c(ccc2)S(=O)(=O)[O-]

BBL035458
Synonyms: 4-[(2-cyanobenzyl)oxy]-3-methoxybenzoicacid
Smiles: COc1cc(ccc1OCc1ccccc1C#N)C(=O)O

BBL035459
Synonyms: 5-amino-2-(methylamino)benzamide
Smiles: CNc1ccc(cc1C(=O)N)N

BBL035460
Synonyms: 3-chloro-4-[(4-chlorobenzyl)oxy]-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)Cl)Cl)C(=O)O

BBL035461
Synonyms: 3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br)C(=O)O

BBL035462
Synonyms: 3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)benzoicacid
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)I)C(=O)O

BBL035463
Synonyms: 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoicacid
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)O

BBL035464
Synonyms: 2-amino-5-methylbenzene-1,4-disulfonate
Smiles: Cc1cc(c(cc1S(=O)(=O)[O-])N)S(=O)(=O)[O-]

BBL035465
Synonyms: 4-amino-3-methylbenzenesulfonate
Smiles: Nc1ccc(cc1C)S(=O)(=O)[O-]

BBL035466
Synonyms: 3-bromo-4-{2-[(2-bromo-4,5-dimethylphenyl)amino]-2-oxoethoxy}benzoicacid
Smiles: O=C(Nc1cc(C)c(cc1Br)C)COc1ccc(cc1Br)C(=O)O

BBL035467
Synonyms: 6-(3,4-dihydroquinolin-1(2H)-yl)-3-nitropyridin-2-amine
Smiles: [O-][N+](=O)c1ccc(nc1N)N1CCCc2c1cccc2

BBL035468
Synonyms: 3-bromo-5-ethoxy-4-[(3-methylbenzyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OCc1cccc(c1)C)Br)C(=O)O

BBL035469
Synonyms: (2E)-3-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-ethoxyphenyl}prop-2-enoicacid
Smiles: CCOc1cc(/C=C/C(=O)O)ccc1OCc1c(F)cccc1Cl

BBL035470
Synonyms: 1-(6-amino-5-nitropyridin-2-yl)piperidin-4-ol
Smiles: OC1CCN(CC1)c1ccc(c(n1)N)[N+](=O)[O-]

BBL035471
Synonyms: 3-nitro-N~6~,N~6~-di(propan-2-yl)pyridine-2,6-diamine
Smiles: CC(N(c1ccc(c(n1)N)[N+](=O)[O-])C(C)C)C

BBL035472
Synonyms: 3-methoxy-4-[(phenylsulfonyl)oxy]benzoicacid
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(=O)O

BBL035473
Synonyms: 4-{[(4-chlorophenyl)sulfonyl]oxy}-3-ethoxy-5-iodobenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)I)C(=O)O

BBL035474
Synonyms: 3-bromo-4-{[(4-chlorophenyl)sulfonyl]oxy}-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)Cl)Br)C(=O)O

BBL035475
Synonyms: 6-(2,3-dihydro-1H-indol-1-yl)-3-nitropyridin-2-amine
Smiles: [O-][N+](=O)c1ccc(nc1N)N1CCc2c1cccc2

BBL035476
Synonyms: 6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitropyridin-2-amine
Smiles: COc1ccccc1N1CCN(CC1)c1ccc(c(n1)N)[N+](=O)[O-]

BBL035477
Synonyms: N~6~-cyclopropyl-3-nitropyridine-2,6-diamine
Smiles: [O-][N+](=O)c1ccc(nc1N)NC1CC1

BBL035478
Synonyms: 3-nitro-N~6~-(propan-2-yl)pyridine-2,6-diamine
Smiles: CC(Nc1ccc(c(n1)N)[N+](=O)[O-])C

BBL035479
Synonyms: 3-chloro-5-ethoxy-4-[(phenylsulfonyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccccc1)Cl)C(=O)O

BBL035480
Synonyms: 3-ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzoicacid
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(=O)O

BBL035481
Synonyms: 4-({[4-(acetylamino)phenyl]sulfonyl}oxy)-3-chloro-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)NC(=O)C)Cl)C(=O)O

BBL035482
Synonyms: 3-methoxy-4-{[(4-methylphenyl)carbonyl]oxy}benzoicacid
Smiles: COc1cc(ccc1OC(=O)c1ccc(cc1)C)C(=O)O

BBL035483
Synonyms: 1-[(2-fluorophenyl)carbonyl]-1H-indole-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccccc1F

BBL035484
Synonyms: 1-[(4-fluorophenyl)carbonyl]-1H-indole-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccc(cc1)F

BBL035485
Synonyms: 1-[(3-bromophenyl)carbonyl]-1H-indole-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1cccc(c1)Br

BBL035486
Synonyms: 2-bromo-4-[(2-cyanobenzyl)oxy]-5-methoxybenzoicacid
Smiles: COc1cc(C(=O)O)c(cc1OCc1ccccc1C#N)Br

BBL035487
Synonyms: 3-bromo-4-{[(2-chlorophenyl)carbonyl]oxy}-5-ethoxybenzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1Cl)Br)C(=O)O

BBL035488
Synonyms: 3-ethoxy-5-iodo-4-[(phenylcarbonyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1)I)C(=O)O

BBL035489
Synonyms: 2-carbamoyl-3-chloro-6-methylbenzoicacid
Smiles: NC(=O)c1c(Cl)ccc(c1C(=O)O)C

BBL035490
Synonyms: 1-[(3,4-dichlorophenyl)carbonyl]-1H-indole-5-carbonitrile
Smiles: N#Cc1ccc2c(c1)ccn2C(=O)c1ccc(c(c1)Cl)Cl

BBL035491
Synonyms: 4-(methylamino)-3,5-dinitrobenzamide
Smiles: CNc1c(cc(cc1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

BBL035492
Synonyms: 7-methyl-5-nitro-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-1,3-benzoxazole
Smiles: [O-][N+](=O)c1cc(C)c2c(c1)nc(o2)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

BBL035493
Synonyms: 3-aminonaphthalene-2,7-disulfonicacid
Smiles: Nc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O

BBL035494
Synonyms: 5-amino-4-hydroxy-8-sulfonaphthalene-2-sulfonate
Smiles: Oc1cc(cc2c1c(N)ccc2S(=O)(=O)O)S(=O)(=O)[O-]

BBL035495
Synonyms: 3,3'-(E)-ethene-1,2-diylbis(6-aminobenzenesulfonicacid)
Smiles: Nc1ccc(cc1S(=O)(=O)O)/C=C/c1ccc(c(c1)S(=O)(=O)O)N

BBL035496
Synonyms: N-(4-aminophenyl)-2-(naphthalen-2-yloxy)acetamide
Smiles: O=C(Nc1ccc(cc1)N)COc1ccc2c(c1)cccc2

BBL035497
Synonyms: 4'-aminobiphenyl-4-sulfonate
Smiles: Nc1ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-]

BBL035498
Synonyms: biphenyl-4-sulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)c1ccccc1

BBL035499
Synonyms: 5-amino-3-hydroxynaphthalene-2,7-disulfonicacid
Smiles: Nc1cc(cc2c1cc(O)c(c2)S(=O)(=O)O)S(=O)(=O)O

BBL035500
Synonyms: 4-amino-5-hydroxynaphthalene-1,3-disulfonicacid
Smiles: Oc1cccc2c1c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O

BBL035501
Synonyms: 3-ethoxy-4-[(3-nitrobenzyl)oxy]benzoicacid
Smiles: CCOc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])C(=O)O

BBL035502
Synonyms: 2-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]benzoicacid
Smiles: COc1cc(C(=O)O)c(cc1OCc1ccc(cc1)[N+](=O)[O-])Br

BBL035503
Synonyms: 5-(2-amino-4,5-dimethylphenyl)furan-2-carboxylicacid
Smiles: Nc1cc(C)c(cc1c1ccc(o1)C(=O)O)C

BBL035504
Synonyms: 1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-ol
Smiles: Clc1cccc(c1)n1nc(cc1O)C

BBL035505
Synonyms: 2-methyl-3-oxo-3-phenylpropanoicacid
Smiles: CC(C(=O)c1ccccc1)C(=O)O

BBL035506
Synonyms: 4-chlorobenzene-1,2-dicarboxylicacid
Smiles: Clc1ccc(c(c1)C(=O)O)C(=O)O

BBL035507
Synonyms: 1,4-dimethoxy-2,5-dinitrobenzene
Smiles: COc1cc([N+](=O)[O-])c(cc1[N+](=O)[O-])OC

BBL035508
Synonyms: 7-hydroxynaphthalene-1,3,6-trisulfonicacid
Smiles: Oc1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O

BBL035509
Synonyms: 4-(phenylamino)benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1

BBL035510
Synonyms: naphthalene-1,8-disulfonicacid
Smiles: OS(=O)(=O)c1cccc2c1c(ccc2)S(=O)(=O)O

BBL035511
Synonyms: 2-bromo-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]aniline
Smiles: Brc1ccc(cc1N)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

BBL035512
Synonyms: 7-amino-3-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
Smiles: N#Cc1cnc2n(c1N)nc(c2C)c1ccccc1

BBL035513
Synonyms: ethyl4-[(4-bromobenzyl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)OCc1ccc(cc1)Br

BBL035514
Synonyms: N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2,2-dimethylpropanamide(non-preferredname)
Smiles: NNC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C)(C)C

BBL035515
Synonyms: methylN-[(2,4-dichlorophenoxy)acetyl]-beta-alaninate
Smiles: COC(=O)CCNC(=O)COc1ccc(cc1Cl)Cl

BBL035516
Synonyms: methylN-[(4-nitrophenyl)sulfonyl]alaninate
Smiles: COC(=O)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C

BBL035517
Synonyms: 4-nitrophenylN-(2,4-dinitrophenyl)glycinate
Smiles: O=C(Oc1ccc(cc1)[N+](=O)[O-])CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

BBL035518
Synonyms: ethylO-methyl-N-(phenylcarbonyl)tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)OC)NC(=O)c1ccccc1

BBL035519
Synonyms: methyl1-[(2,4-dinitrophenyl)carbonyl]piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

BBL035520
Synonyms: ethylN-[(4-chlorophenyl)sulfonyl]tyrosinate
Smiles: CCOC(=O)C(NS(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1)O

BBL035521
Synonyms: methylN-[(4-nitrophenyl)sulfonyl]phenylalaninate
Smiles: COC(=O)C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1ccccc1

BBL035522
Synonyms: methylN-[(4-nitrophenyl)sulfonyl]-beta-alaninate
Smiles: COC(=O)CCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

BBL035523
Synonyms: ethylN-acetylphenylalaninate
Smiles: CCOC(=O)C(Cc1ccccc1)NC(=O)C

BBL035524
Synonyms: N-{2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl}benzamide
Smiles: NNC(=O)CNC(=O)CNC(=O)c1ccccc1

BBL035525
Synonyms: 3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzoicacid
Smiles: COc1cc(cc(c1OCc1ccc(cc1)Cl)Br)C(=O)O

BBL035526
Synonyms: 4-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

BBL035527
Synonyms: 3-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

BBL035528
Synonyms: methyl1-[(4-nitrophenyl)sulfonyl]piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

BBL035529
Synonyms: 1-ethyl-2-methylquinolinium
Smiles: CC[n+]1c(C)ccc2c1cccc2

BBL035530
Synonyms: naphthalene-2-sulfonate
Smiles: [O-]S(=O)(=O)c1ccc2c(c1)cccc2

BBL035531
Synonyms: naphthalene-1-sulfonate
Smiles: [O-]S(=O)(=O)c1cccc2c1cccc2

BBL035532
Synonyms: 6-methoxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one
Smiles: COc1cc2CCCC(=O)c2c(c1)C

BBL035533
Synonyms: 3-{2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-1,3-thiazolidine-2,4-dione
Smiles: COCCn1c(C)cc(c1C)C(=O)CN1C(=O)CSC1=O

BBL035534
Synonyms: 1,2-dinitronaphthalene
Smiles: [O-][N+](=O)c1c(ccc2c1cccc2)[N+](=O)[O-]

BBL035535
Synonyms: 4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzene-1,2-diamine
Smiles: Nc1ccc(cc1N)C12CC3CC(C2)CC(C1)C3

BBL035536
Synonyms: (2E)-3-(2-hydroxy-3-nitrophenyl)-2-methylprop-2-enal
Smiles: O=C/C(=C/c1cccc(c1O)[N+](=O)[O-])/C

BBL035537
Synonyms: N'-[(1Z)-1-cyano-3,3-dimethylbut-1-en-2-yl]-4-methylbenzenesulfonohydrazide
Smiles: N#C/C=C(/C(C)(C)C)\NNS(=O)(=O)c1ccc(cc1)C

BBL034617
Synonyms: (4-bromophenyl)(phenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1ccccc1

STK000027
Synonyms: 1-[(2-hydroxyethyl)amino]-4-(methylamino)anthracene-9,10-dione
Smiles: OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC

STK000038
Synonyms: 2-(benzylsulfanyl)-5-phenylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=NC(=O)C1c1ccccc1)SCc1ccccc1

STK000054
Synonyms: propyl4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O

STK000062
Synonyms: (aminomethyl)(morpholin-4-ylmethyl)phosphinicacid
Smiles: NCP(=O)(CN1CCOCC1)O

STK000065
Synonyms: 2-amino-4-(4-hydroxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)O)c(=O)[nH]c(c2)C

STK000076
Synonyms: 9-(benzyloxy)-8-methoxy-5,5-dimethyl-3-phenyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Smiles: COc1cc2CC(C)(C)n3c(c2cc1OCc1ccccc1)nnc3c1ccccc1

STK000113
Synonyms: N-{(2Z)-3-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-ylidene}pyridin-2-amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2ccccc2o/c/1=N\c1ccccn1

STK000120
Synonyms: 2-phenyl-N-{4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}acetamide
Smiles: O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1

STK000134
Synonyms: N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
Smiles: CCCCN(Cc1c(nc2n1ccs2)c1ccccc1)C

STK000148
Synonyms: (4Z)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-2-(4-chlorophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)Cl)cc(c1O)Br

STK000158
Synonyms: disodium2-{[(dimethylamino)methyl]phosphinato}ethanesulfonate
Smiles: [Na]OP(=O)(CN(C)C)CCS(=O)(=O)O[Na]

STK000179
Synonyms: methyl(2Z)-{2-[(2E)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1ccccc1

STK000187
Synonyms: N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide
Smiles: CCOc1cccc(c1)C(=O)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C

STK000191
Synonyms: 2-(furan-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
Smiles: c1ccc(cc1)OCc1nnc(o1)c1ccco1

STK000197
Synonyms: 4-(ethoxycarbonyl)-4-(1,3-thiazol-4-yl)octanoicacid
Smiles: CCCCC(c1ncsc1)(C(=O)OCC)CCC(=O)O

STK000208
Synonyms: N-cyclohexyl-N'-{2,5-dimethoxy-4-[(phenylcarbonyl)amino]phenyl}pentanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCCC(=O)NC1CCCCC1)OC

STK000231
Synonyms: 3-{[(E)-phenylmethylidene]amino}-1,3-oxazol-2(3H)-one
Smiles: O=c1occn1/N=C/c1ccccc1

STK000241
Synonyms: N-{4-[(1-bromonaphthalen-2-yl)oxy]-3-chlorophenyl}-3,5-dichloro-2-hydroxybenzamide
Smiles: Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc2c(c1Br)cccc2)O

STK000260
Synonyms: ethyl(2Z)-2-(2-hydroxybenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1ccccc1O)/s2

STK000275
Synonyms: (5Z)-5-(3,5-dichloro-4-ethoxybenzylidene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1c(Cl)cc(cc1Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1

STK000284
Synonyms: 2-[(2E)-1-ethyl-2-(4-methoxybenzylidene)hydrazinyl]-1H-benzimidazole
Smiles: COc1ccc(cc1)/C=N/N(c1nc2c([nH]1)cccc2)CC

STK000303
Synonyms: 1-(2-chlorophenyl)-1-[4-(2-methyl-5-oxo-4-propyltetrahydrofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylthiourea
Smiles: CCCC1CC(OC1=O)(C)c1csc(n1)N(c1ccccc1Cl)C(=S)Nc1ccccc1

STK000317
Synonyms: 4-[(E)-{(2E)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenyl4-chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C\1/S/C(=N/c2ccccc2Cl)/NC1=O

STK000335
Synonyms: 2,2-dimethylpropane-1,3-diylbis(pyrrolidin-1-ylacetate)
Smiles: O=C(CN1CCCC1)OCC(COC(=O)CN1CCCC1)(C)C

STK000339
Synonyms: 5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(Br)cc(c1O)C=C1C(=O)N(C)C(=S)N(C1=O)C

STK000377
Synonyms: 6-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)F)c(C)nn2c1ccc(cc1)Br

STK000413
Synonyms: 4-(phenylcarbonyl)-1-(propylsulfanyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCC3

STK000415
Synonyms: 2-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: O=C(Cc1ccc(cc1)F)NCC1CCCO1

STK000425
Synonyms: ethyl(2E)-2-cyano-3-[2-methyl-1-(2-methylbenzyl)-1H-indol-3-yl]prop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)Cc1ccccc1C)/C#N

STK000427
Synonyms: 4-chloro-N-(4-methoxybenzyl)-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccc(cc1)OC)C(=O)c1ccc(cc1)Cl

STK000430
Synonyms: N'-[(E)-{4-[3-(2,6-dimethylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1c(C)cccc1C

STK000458
Synonyms: 1-(6-chlorohexyl)-3-(2-methoxyphenyl)urea
Smiles: ClCCCCCCNC(=O)Nc1ccccc1OC

STK000462
Synonyms: N,N'-bis(pyridin-2-ylmethyl)butanediamide
Smiles: O=C(NCc1ccccn1)CCC(=O)NCc1ccccn1

STK000488
Synonyms: N'-[2-(4-propylphenyl)acetyl]biphenyl-4-carbohydrazide
Smiles: CCCc1ccc(cc1)CC(=O)NNC(=O)c1ccc(cc1)c1ccccc1

STK000508
Synonyms: 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Cc1cc(cc2c1CCC2(C)C)C(C)(C)C)Nc1nccs1

STK000511
Synonyms: 1-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-aminium
Smiles: CCCCN1CCc2c1nc1ccccc1c2[NH3+]

STK000528
Synonyms: N-phenyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Smiles: O=C(c1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2

STK000537
Synonyms: N-(4-methoxyphenyl)-4-methylnaphthalene-1-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(c2c1cccc2)C

STK000538
Synonyms: 4,4'-dihexylbiphenyl
Smiles: CCCCCCc1ccc(cc1)c1ccc(cc1)CCCCCC

STK000571
Synonyms: (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylimidazolidine-2,4-dione
Smiles: Clc1ccc(cc1)n1cccc1/C=C\1/NC(=O)N(C1=O)c1ccccc1

STK000604
Synonyms: 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
Smiles: S=C(Nc1nccs1)NC(=O)C(Oc1ccc(cc1Cl)Cl)C

STK000612
Synonyms: N-{2,5-dimethoxy-4-[(phenylcarbonyl)amino]phenyl}-N'-(2,3-dimethylcyclohexyl)butanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)NC1CCCC(C1C)C)OC

STK000621
Synonyms: 1,7-dichloro-4-methylbicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylicacid
Smiles: OC(=O)C1C(C(=O)O)C2(Cl)C(=CC1(C)C(C2C(=O)O)C(=O)O)Cl

STK000676
Synonyms: sodium3-[{[ethoxy(methyl)phosphoryl]methyl}(methyl)amino]propanoate
Smiles: CCOP(=O)(CN(CCC(=O)O[Na])C)C

STK000702
Synonyms: 2,4-dichloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)NC(=O)c1ccc(cc1Cl)Cl

STK000714
Synonyms: 1-[(1E)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Smiles: Cc1ccc(cc1)/C=C(/n1ccccc1=O)\C(=O)N1CCc2c(C1)cccc2

STK000743
Synonyms: (3Z)-3-{[(4-ethoxyphenyl)amino]methylidene}-2H-chromene-2,4(3H)-dione
Smiles: CCOc1ccc(cc1)N/C=C/1\C(=O)Oc2c(C1=O)cccc2

STK000749
Synonyms: 3-{[(E)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}phenol
Smiles: COc1cc(/C=N/c2cccc(c2)O)c(cc1OC)[N+](=O)[O-]

STK000775
Synonyms: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl](furan-2-yl)methanone
Smiles: O=C(c1ccco1)N1CCN(CC1)CC1CCC=CC1

STK000784
Synonyms: (5E)-5-{4-[3-(4-tert-butylphenoxy)propoxy]-3-chloro-5-ethoxybenzylidene}-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK000798
Synonyms: 4-{(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C

STK000821
Synonyms: 6-[(2E)-2-{4-[(4-fluorobenzyl)oxy]benzylidene}hydrazinyl]-N,N-dimethyl-2-(propan-2-yl)pyrimidin-4-amine
Smiles: Fc1ccc(cc1)COc1ccc(cc1)/C=N/Nc1cc(nc(n1)C(C)C)N(C)C

STK000830
Synonyms: 2,2,2-trichloro-N-(5-nitro-1,3-thiazol-2-yl)acetamide
Smiles: O=C(C(Cl)(Cl)Cl)Nc1ncc(s1)[N+](=O)[O-]

STK000844
Synonyms: N-(2-hydroxyethyl)-N'-(1,3-thiazol-2-yl)ethanediamide
Smiles: OCCNC(=O)C(=O)Nc1nccs1

STK000848
Synonyms: (4Z)-4-[2-(2-ethoxyphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccccc1N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK000852
Synonyms: 2-{(E)-[(5-methyl-1,2-oxazol-3-yl)imino]methyl}-6-(prop-2-en-1-yl)phenol
Smiles: C=CCc1cccc(c1O)/C=N/c1noc(c1)C

STK000855
Synonyms: 3-{[7-(4-chlorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoicacid
Smiles: OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

STK000869
Synonyms: 4-ethoxy-3-nitro-N-(pyridin-2-ylcarbamothioyl)benzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccn1

STK000873
Synonyms: 1-(3-chlorophenyl)-3-(5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)urea
Smiles: O=C(Nc1nnc(s1)CSCc1ccc(cc1)F)Nc1cccc(c1)Cl

STK000891
Synonyms: 3-chloro-4-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cc(ccc1C)c1nc2c(o1)cccn2

STK000917
Synonyms: 3-(3-aminophenyl)-N-(2-methoxyphenyl)-3-oxopropanamide
Smiles: COc1ccccc1NC(=O)CC(=O)c1cccc(c1)N

STK000923
Synonyms: N-cyclopropyl-N'-(4-methoxybenzyl)ethanediamide
Smiles: COc1ccc(cc1)CNC(=O)C(=O)NC1CC1

STK000944
Synonyms: 4-methoxy-N-[(2E)-1,3-thiazinan-2-ylidene]aniline
Smiles: COc1ccc(cc1)/N=C/1\NCCCS1

STK000957
Synonyms: 6-(4-chlorophenyl)-5-(2-methylphenyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)c1nc2n(ncc2c(=O)n1c1ccccc1C)c1ccccc1

STK001062
Synonyms: (4Z)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-[2-(3,4-dichlorophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(c(c2)Cl)Cl)/C1=O)C

STK001066
Synonyms: 2-(4-chlorophenoxy)-N-(4-methylpyridin-2-yl)acetamide
Smiles: O=C(Nc1nccc(c1)C)COc1ccc(cc1)Cl

STK001081
Synonyms: N-(3-oxo-3-phenylpropyl)methionine
Smiles: CSCCC(C(=O)O)NCCC(=O)c1ccccc1

STK001083
Synonyms: N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline
Smiles: COc1ccc(cc1)CCNc1ccc(cc1)C

STK001090
Synonyms: 1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,3-b]quinolin-4-aminium2-chloro-5-nitrobenzoate
Smiles: [O-]C(=O)c1cc(ccc1Cl)[N+](=O)[O-].CN1CCc2c1nc1CCCCc1c2[NH3+]

STK001103
Synonyms: [(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile
Smiles: N#CC(C(C1C(=NN(C1=O)Cc1ccccc1)C)c1ccc(cc1)OC)C#N

STK001107
Synonyms: 1-benzyl-N-{2,5-dimethoxy-4-[(phenylcarbonyl)amino]phenyl}-1H-indole-2-carboxamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)c1cc2c(n1Cc1ccccc1)cccc2)OC

STK001111
Synonyms: 2-(4-chloro-2-methylphenoxy)-N-{[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1scc(n1)c1cccc2c1cccc2)COc1ccc(cc1C)Cl

STK001126
Synonyms: N-(2-ethylphenyl)-1H-1,2,4-triazole-3-carboxamide
Smiles: CCc1ccccc1NC(=O)c1n[nH]cn1

STK001133
Synonyms: methyl2-{[(biphenyl-4-ylcarbonyl)carbamothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)NC(=S)NC(=O)c1ccc(cc1)c1ccccc1

STK001150
Synonyms: 3-[(E)-{(2Z)-[amino(butylsulfanyl)methylidene]hydrazinylidene}methyl]-2-hydroxybenzoicacid
Smiles: CCCCS/C(=N\N=C\c1cccc(c1O)C(=O)O)/N

STK001168
Synonyms: N,N'-(3,7-di-tert-butyl-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4'-octylbiphenyl-4-carboxamide)
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Nc1cc(cc2c1C(=O)c1cc(cc(c1C2=O)NC(=O)c1ccc(cc1)c1ccc(cc1)CCCCCCCC)C(C)(C)C)C(C)(C)C

STK001170
Synonyms: N-[9,10-dioxo-4-(1,3-thiazol-2-ylamino)-9,10-dihydroanthracen-1-yl]benzamide
Smiles: O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1nccs1

STK001177
Synonyms: 2-iodo-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)c1ccccc1I)cccc2

STK001187
Synonyms: 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetohydrazide
Smiles: NNC(=O)CSc1nc2c(n1C)cccc2

STK001194
Synonyms: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(pyridin-2-yl)acetamide
Smiles: O=C(Nc1ccccn1)CSC1=NC(=O)C(C(=O)N1)Cc1ccccc1

STK001224
Synonyms: (2E)-1-(4-ethoxyphenyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-en-1-one
Smiles: CCOc1ccc(cc1)C(=O)/C=C/c1c[nH]c2c1cc(OC)cc2

STK001236
Synonyms: [6,8,9-trimethyl-4-(pyridin-3-yl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
Smiles: OCC12COC(C(C2C)C(=CC1C)C)c1cccnc1

STK001238
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-N-[2-(dimethylamino)ethyl]-3-(3-nitrophenyl)-3-oxopropanamide
Smiles: CN(CCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK001244
Synonyms: 5-bromo-2-chloro-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
Smiles: S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1nc2c(s1)cc(cc2)C

STK001245
Synonyms: 2-[(1-butyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
Smiles: CCCCn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1cccc2

STK001262
Synonyms: (2E)-3-(3-chloro-5-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-2-cyanoprop-2-enamide
Smiles: CCOc1cc(/C=C(/C(=O)N)\C#N)cc(c1OCCOc1ccccc1CC=C)Cl

STK001264
Synonyms: 3-[5-(4-propylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: CCCC1CCC(CC1)c1onc(n1)c1cccnc1

STK001281
Synonyms: (2E)-N-benzyl-2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}prop-2-enamide
Smiles: CCOc1cc(ccc1OCCOc1ccc(c(c1)C)C)/C=C(/C(=O)NCc1ccccc1)\C#N

STK001290
Synonyms: 7,7-dimethyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5-one
Smiles: O=C(c1ccccc1)CSc1n[nH]c2n1c(=O)c1c(n2)sc2c1CC(C)(C)OC2

STK001298
Synonyms: (4-bromo-2-{(Z)-[4-oxo-3-(pyridin-3-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1/C=C/1\SC(=S)N(C1=O)Cc1cccnc1)Br

STK001307
Synonyms: 1-methyl-4-(4H-1,2,4-triazol-3-ylsulfanyl)phthalazine
Smiles: Cc1nnc(c2c1cccc2)Sc1nnc[nH]1

STK001330
Synonyms: (1Z)-2-{4-[(6-methylheptyl)oxy]phenyl}-N'-(4H-1,2,4-triazol-4-yl)ethanimidamide
Smiles: CC(CCCCCOc1ccc(cc1)C/C(=N/n1cnnc1)/N)C

STK001352
Synonyms: naphthalen-2-yl4-tert-butylbenzoate
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc2c(c1)cccc2

STK001359
Synonyms: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
Smiles: O=C(Nc1cccc(c1)c1nc2c(s1)cccc2)COc1ccc(cc1C)C

STK001360
Synonyms: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(2-methoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccccc1/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl

STK001368
Synonyms: benzylN~2~-(tert-butoxycarbonyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-alpha-glutaminate
Smiles: O=C(CCC(C(=O)NC(=O)OCC1c2ccccc2c2c1cccc2)NC(=O)OC(C)(C)C)OCc1ccccc1

STK001421
Synonyms: 1-(4-chlorophenyl)-1-hydroxy-3-phenylurea
Smiles: Clc1ccc(cc1)N(C(=O)Nc1ccccc1)O

STK001422
Synonyms: N,N'-[cyclohexane-1,1-diylbis(2,6-dimethylbenzene-4,1-diyl)]bis[2-(morpholin-4-yl)acetamide]
Smiles: O=C(Nc1c(C)cc(cc1C)C1(CCCCC1)c1cc(C)c(c(c1)C)NC(=O)CN1CCOCC1)CN1CCOCC1

STK001431
Synonyms: N-(3-bromobenzyl)-N'-[2-(diethylamino)ethyl]butanediamide
Smiles: CCN(CCNC(=O)CCC(=O)NCc1cccc(c1)Br)CC

STK001432
Synonyms: (2-oxo-3-phenylcyclohexyl)aceticacid
Smiles: OC(=O)CC1CCCC(C1=O)c1ccccc1

STK001471
Synonyms: 4-({2-[2-(4-bromophenyl)-2-oxoethyl]-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-4-yl}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)C(=O)CN1C(=C(Nc2c(C)n(n(c2=O)c2ccccc2)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK001473
Synonyms: 6-chloro-N,N-diphenyl-N'-(5-{[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]amino}pentyl)-1,3,5-triazine-2,4-diamine
Smiles: Clc1nc(NCCCCCNc2c(F)c(F)c(c(c2F)F)C(F)(F)F)nc(n1)N(c1ccccc1)c1ccccc1

STK001480
Synonyms: 5-({1-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc(c(c1)OCCn1c2ccccc2c(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C)C

STK001483
Synonyms: (6Z)-6-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK001487
Synonyms: 4-{(E)-[(2,4-dichlorophenyl)imino]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc(cc1Cl)Cl

STK001493
Synonyms: phenyl(2E)-7-methyl-2-{[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: O=C(C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cn(c3c1cccc3)Cc1cccc3c1cccc3)/s2)Oc1ccccc1

STK001522
Synonyms: 4,4'-sulfonylbis(2-{[(E)-(2-methyl-1H-indol-3-yl)methylidene]amino}phenol)
Smiles: Oc1ccc(cc1/N=C/c1c(C)[nH]c2c1cccc2)S(=O)(=O)c1ccc(c(c1)/N=C/c1c(C)[nH]c2c1cccc2)O

STK001524
Synonyms: N-[(5-methylfuran-2-yl)methyl]-N'-(pyridin-3-yl)butanediamide
Smiles: O=C(NCc1ccc(o1)C)CCC(=O)Nc1cccnc1

STK001527
Synonyms: N,N-dimethylpiperidine-4-carboxamide
Smiles: CN(C(=O)C1CCNCC1)C

STK001551
Synonyms: 4-(cyclohexylamino)-3-(4-methylbenzyl)-4-oxobutanoicacid
Smiles: OC(=O)CC(C(=O)NC1CCCCC1)Cc1ccc(cc1)C

STK001572
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK001573
Synonyms: N'-[1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-fluorobenzohydrazide
Smiles: Fc1cccc(c1)C(=O)NNC1CC(=O)N(C1=O)c1ccccc1Cl

STK001581
Synonyms: 2-[(3,5-dimethylphenyl)carbonyl]benzoicacid
Smiles: Cc1cc(C)cc(c1)C(=O)c1ccccc1C(=O)O

STK001587
Synonyms: 4-chloro-N-(2-iodophenyl)-2-nitrobenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])C(=O)Nc1ccccc1I

STK001605
Synonyms: 3-{[(E)-(3-methylphenyl)methylidene]amino}benzamide
Smiles: Cc1cccc(c1)/C=N/c1cccc(c1)C(=O)N

STK001608
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-[(4-methylphenyl)amino]acetohydrazide(non-preferredname)
Smiles: O=C(CNc1ccc(cc1)C)N/N=C/c1ccccc1Cl

STK001609
Synonyms: 4-methylphenyl4-[(2-carbamoylphenyl)amino]-4-oxobutanoate
Smiles: O=C(Nc1ccccc1C(=O)N)CCC(=O)Oc1ccc(cc1)C

STK001616
Synonyms: (4Z)-1-(4-bromophenyl)-4-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}pyrazolidine-3,5-dione
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C1=O

STK001625
Synonyms: N-[(3,5-dimethylphenyl)carbamothioyl]-2-phenoxyacetamide
Smiles: O=C(NC(=S)Nc1cc(C)cc(c1)C)COc1ccccc1

STK001633
Synonyms: 3-bromo-N-{4-[(4-fluorophenyl)sulfamoyl]phenyl}-4-methylbenzamide
Smiles: Fc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)Br)C

STK001640
Synonyms: 5-[2-(2-methyl-6-nitrophenyl)hydrazinylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=NNc2c(C)cccc2[N+](=O)[O-])C(=O)N1

STK001658
Synonyms: N-(2-chlorobenzyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)Cc1cccnc1)NCc1ccccc1Cl

STK001670
Synonyms: 3-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-6-chloro-4-phenylquinolin-2(1H)-one
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)Sc1nc(C)c(c(n1)O)Cc1ccccc1

STK001698
Synonyms: N-(3-chloro-2-methylphenyl)-2-methyl-3-nitrobenzamide
Smiles: O=C(c1cccc(c1C)[N+](=O)[O-])Nc1cccc(c1C)Cl

STK001712
Synonyms: 6-(methoxymethyl)-2-[(4-methylquinazolin-2-yl)amino]-1,4-dihydropyrimidin-4-ol
Smiles: COCC1=CC(N=C(N1)Nc1nc(C)c2c(n1)cccc2)O

STK001713
Synonyms: 2-[4-(morpholin-4-yl)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]acetamide
Smiles: NC(=O)CN1C(=C(N2CCOCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK001717
Synonyms: 3-chloro-4-ethoxy-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)F

STK001723
Synonyms: 6-phenyl-8-sulfanyl-5H,6H-[1,3,4]thiadiazolo[2',3':2,3]pyrimido[4,5-d][1,3]thiazin-5-one
Smiles: SC1=Nc2c(C(S1)c1ccccc1)c(=O)nc1n2ncs1

STK001731
Synonyms: 4-{[(1,1',3,3'-tetraoxo-1,1',3,3'-tetrahydro-2,2'-biisoindol-5-yl)carbonyl]amino}benzoicacid
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)N1C(=O)c2c(C1=O)cccc2)Nc1ccc(cc1)C(=O)O

STK001768
Synonyms: 4-fluoro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
Smiles: Fc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)c(cc1Cl)Cl

STK001785
Synonyms: methyl4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)Cl)C

STK001802
Synonyms: 2-phenoxy-N-{[3-(trifluoromethyl)phenyl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1cccc(c1)C(F)(F)F)COc1ccccc1

STK001834
Synonyms: methyl(2Z)-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2-(pyridin-4-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1ccncc1)/s2

STK001857
Synonyms: 6,8-dibromo-2-oxo-2H-chromene-3-carboxylicacid
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)O

STK001859
Synonyms: 1-(azepan-1-yl)-3-(4-fluorophenyl)-2-(2-oxopyridin-1(2H)-yl)propane-1,3-dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCCCCC1

STK001867
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-1-(3-phenylpropyl)piperidine-4-carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)CCCc1ccccc1)(C)C

STK001872
Synonyms: 2-(2-{4-[(2,4-dimethoxyphenyl)amino]-6,8-dimethoxy-2-methyl-3,4-dihydroquinolin-1(2H)-yl}-2-oxoethyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(OC)cc2c1N(C(C)CC2Nc1ccc(cc1OC)OC)C(=O)CN1C(=O)c2c(C1=O)cccc2

STK001918
Synonyms: chloro(1H-indol-2-yl)mercury
Smiles: Cl[Hg]c1cc2c([nH]1)cccc2

STK001923
Synonyms: methyl({2-[2-(4-chlorophenyl)ethyl]-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl}amino)(2,4-dimethylphenyl)acetate
Smiles: COC(=O)C(c1ccc(cc1C)C)NC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2

STK001931
Synonyms: 2-[5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-N-propylacetamide(non-preferredname)
Smiles: CCCNC(=O)C(C1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O)O

STK001937
Synonyms: N-(pyrimidin-2-yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1ncccn1

STK001938
Synonyms: N-(2-methyl-1-propanoyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylbenzamide
Smiles: CCC(=O)N1C(C)CC(c2c1cccc2)N(C(=O)c1ccccc1)c1ccccc1

STK001944
Synonyms: N~3~-benzyl-N-(2-chlorophenyl)-N~3~-ethyl-beta-alaninamide
Smiles: CCN(Cc1ccccc1)CCC(=O)Nc1ccccc1Cl

STK001946
Synonyms: N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-1-benzofuran-2-carboxamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)Cl)NC(=S)NC(=O)c1cc2c(o1)cccc2

STK001967
Synonyms: N-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Smiles: CC(=O)Nc1nnc(s1)SCC(=O)N1CCc2c1cccc2

STK001969
Synonyms: 1-(2-chloro-6-fluorobenzyl)-4-methylpiperidine
Smiles: CC1CCN(CC1)Cc1c(F)cccc1Cl

STK001975
Synonyms: (6Z)-6-(3-bromo-2-hydroxy-5-nitrobenzylidene)-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(cc(c1O)Br)[N+](=O)[O-])c1ccccc1

STK001983
Synonyms: 2'-fluorobiphenyl-3-carboxylicacid
Smiles: Fc1ccccc1c1cccc(c1)C(=O)O

STK001994
Synonyms: 17-(2-methylphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylicacid(non-preferredname)
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)cccc3

STK002009
Synonyms: 4-[(2-chlorophenoxy)methyl]-N-(pyridin-4-yl)benzamide
Smiles: O=C(c1ccc(cc1)COc1ccccc1Cl)Nc1ccncc1

STK002047
Synonyms: phenyl(2E)-2-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Smiles: COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

STK002048
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl3,4,5-trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OC1CN2CCC1CC2

STK002054
Synonyms: (13bR)-13b-methyl-4-propyl-1,3,4,6,7,8,13,13b-octahydro-2H-pyrido[1',2':1,2]azepino[3,4-b]indole
Smiles: CCCC1CCC[C@]2(N1CCCc1c2[nH]c2c1cccc2)C

STK002069
Synonyms: 3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]benzoicacid
Smiles: N#Cc1ccc(cc1)c1onc(n1)c1cccc(c1)C(=O)O

STK002099
Synonyms: quinolin-8-yldiphenylacetate
Smiles: O=C(C(c1ccccc1)c1ccccc1)Oc1cccc2c1nccc2

STK002101
Synonyms: (4E)-4-{5-bromo-2-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(cc1C)C

STK002108
Synonyms: N-{[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]carbamothioyl}pentanamide
Smiles: CCCCC(=O)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2

STK002180
Synonyms: 3-(4-ethylphenyl)-5-(3-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
Smiles: CCc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1cccc(c1)F)C(=O)c1c(C2=O)cccc1

STK002210
Synonyms: 2-(4-bromophenyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)Cc1ccc(cc1)Br

STK002218
Synonyms: 1-(4-ethylbenzyl)-4-methylpiperidine
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C

STK002227
Synonyms: N-(6-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-methylacetamide
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)N(C(=O)C)C

STK002242
Synonyms: diethyl{2-[(2E)-2-{3-[(2,4-dichlorophenoxy)methyl]-4-methoxybenzylidene}hydrazinyl]-2-oxoethyl}phosphonate
Smiles: CCOP(=O)(CC(=O)N/N=C/c1ccc(c(c1)COc1ccc(cc1Cl)Cl)OC)OCC

STK002247
Synonyms: 2-cyclohexyl-2-phenylpropanoicacid
Smiles: OC(=O)C(c1ccccc1)(C1CCCCC1)C

STK002260
Synonyms: 4-methoxy-N'-[(1E)-1-(2-oxo-2H-chromen-3-yl)ethylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1cc2ccccc2oc1=O)\C

STK002278
Synonyms: 3-(7-methyl-2,3-diphenyl-1H-indol-1-yl)propanoicacid
Smiles: OC(=O)CCn1c2c(C)cccc2c(c1c1ccccc1)c1ccccc1

STK002309
Synonyms: N-benzyl-N-ethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)CCCc1ccccc1)Cc1ccccc1

STK002341
Synonyms: N'-[(E)-{4-[3-(4-methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1ccc(cc1)OCCCOc1ccc(cc1)/C=N/NC(=O)C

STK002346
Synonyms: 4-hydroxy-4-(1H-indol-3-yl)butanoicacid
Smiles: OC(=O)CCC(c1c[nH]c2c1cccc2)O

STK002348
Synonyms: (4E)-4-(3,5-dichloro-4-hydroxybenzylidene)-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C/c1cc(Cl)c(c(c1)Cl)O)c1ccccc1

STK002369
Synonyms: 1-amino-N-(5-chloro-2-methoxyphenyl)-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
Smiles: COc1ccc(cc1NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccccc1)Cl

STK002372
Synonyms: N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2c(C1)cccc2)C

STK002383
Synonyms: N-(2,6-dimethylphenyl)-2-(2-oxoazetidin-1-yl)-2-(3-phenoxyphenyl)acetamide
Smiles: O=C1CCN1C(C(=O)Nc1c(C)cccc1C)c1cccc(c1)Oc1ccccc1

STK002396
Synonyms: 1-(4-ethylbenzyl)pyrrolidine
Smiles: CCc1ccc(cc1)CN1CCCC1

STK002425
Synonyms: 2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-methyl-6-phenylpyrimidine
Smiles: COc1ccc(cc1)/C=N/Nc1nc(C)cc(n1)c1ccccc1

STK002435
Synonyms: N'-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNC1N(C2CCCCC2)C(=O)c2c1cccc2

STK002436
Synonyms: (6Z)-6-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002439
Synonyms: (6Z)-6-(3-ethoxy-4-{2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy}benzylidene)-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)C(c1ccccc1)(C)C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002464
Synonyms: 3-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-2-(1H-tetrazol-5-yl)propanamide
Smiles: COc1ccc(cc1CC(C(=O)Nc1ccc(cc1C)C)c1nnn[nH]1)OC

STK002470
Synonyms: 1-(4-hydroxy-3-methoxybenzyl)piperidine-4-carboxylicacid
Smiles: COc1cc(ccc1O)CN1CCC(CC1)C(=O)O

STK002474
Synonyms: 5-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=CNc2ccc(cc2)c2nc3c(s2)cc(cc3)C)C(=O)N1

STK002476
Synonyms: (6Z)-6-{3-bromo-4-[3-(4-chlorophenoxy)propoxy]-5-ethoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK002497
Synonyms: 1-(phenylcarbonyl)-2,3-dihydrobenzo[g]quinolin-4(1H)-one
Smiles: O=C(N1CCC(=O)c2c1cc1ccccc1c2)c1ccccc1

STK002500
Synonyms: 2-[benzyl(3,4,5-trimethoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1cc(OC)c(c(c1)OC)OC

STK002513
Synonyms: 2-[3-(acetylamino)phenoxy]-N-(2-chlorophenyl)acetamide
Smiles: O=C(Nc1ccccc1Cl)COc1cccc(c1)NC(=O)C

STK002526
Synonyms: 2-(heptan-3-yl)-4-methyl-1,3-dioxolane
Smiles: CCCCC(C1OCC(O1)C)CC

STK002528
Synonyms: N-(4-butoxybenzyl)-3-[(6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
Smiles: CCCCOc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)[nH]1)CC(OC3)(C)C

STK002536
Synonyms: N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-4-methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1ccc(c(c1)OC)O)\C

STK002543
Synonyms: 4-bromo-3-chloro-N-[(E)-1H-indol-3-ylmethylidene]aniline
Smiles: Brc1ccc(cc1Cl)/N=C/c1c[nH]c2c1cccc2

STK002544
Synonyms: 2-[2-(4-chlorophenyl)ethyl]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COc1cc(CCNC2N(CCc3ccc(cc3)Cl)C(=O)C3=C2CCCC3)ccc1OC

STK002576
Synonyms: (6Z)-2-benzyl-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK002578
Synonyms: 7-(4-chlorobenzyl)-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)CC

STK002589
Synonyms: methyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)F)C(=O)N)C(=O)C

STK002601
Synonyms: 1-(4-methoxyphenyl)-3-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)C(Oc1ccccc1)C

STK002625
Synonyms: (4-bromo-1H-pyrazol-1-yl)(4-tert-butylphenyl)methanone
Smiles: O=C(n1ncc(c1)Br)c1ccc(cc1)C(C)(C)C

STK002634
Synonyms: (4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2C)C)/C1=O)C

STK002641
Synonyms: 3-methyl-8-[(3-methylbutoxy)methyl]-3-[2-(phenylamino)-1,3-thiazol-4-yl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Smiles: CC(CCOCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)Nc1ccccc1)C

STK002676
Synonyms: potassium4-[(E)-morpholin-4-yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCOCC1.[K+]

STK002677
Synonyms: (5Z)-3-benzyl-5-{2-[3-(2-chlorophenoxy)propoxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cccc(c1OCCCOc1ccccc1Cl)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK002678
Synonyms: 7-(2-chloro-6-fluorobenzyl)-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

STK002706
Synonyms: N~5~-[(E)-phenylmethylidene]pyrimidine-2,4,5,6-tetramine
Smiles: Nc1nc(N)c(c(n1)N)/N=C/c1ccccc1

STK002734
Synonyms: N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)Cc1c(nc2n1ccs2)c1ccccc1)CC

STK002743
Synonyms: 4-iodo-N-(prop-2-en-1-yl)benzamide
Smiles: C=CCNC(=O)c1ccc(cc1)I

STK002765
Synonyms: (2,6-dimethylquinolin-1(2H)-yl)(4-fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)N1C(C)C=Cc2c1ccc(c2)C

STK002770
Synonyms: N-acetylcysteine-4,5-dihydro-1,3-thiazol-2-amine(1:1)
Smiles: NC1=NCCS1.SCC(C(=O)O)NC(=O)C

STK002813
Synonyms: 4-[5-(4-pentylphenyl)pyridin-2-yl]benzoicacid
Smiles: CCCCCc1ccc(cc1)c1ccc(nc1)c1ccc(cc1)C(=O)O

STK002816
Synonyms: N-(3-nitrophenyl)-N'-(1-phenylethyl)butanediamide
Smiles: O=C(Nc1cccc(c1)[N+](=O)[O-])CCC(=O)NC(c1ccccc1)C

STK002835
Synonyms: N-[4-(benzyloxy)phenyl]-N'-[3-(propan-2-yloxy)propyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CCC(=O)NCCCOC(C)C

STK002879
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCCC1=CCCCC1

STK002889
Synonyms: N-(2-amino-2-oxoethyl)-N'-[4-(2-phenylethoxy)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCc1ccccc1)CCC(=O)NCC(=O)N

STK002901
Synonyms: (5E)-5-[4-(dimethylamino)benzylidene]-1-(3-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)N(C)C)/C1=O

STK002943
Synonyms: potassium4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzenesulfonate
Smiles: CN(/N=N/c1ccc(cc1)S(=O)(=O)[O-])C.[K+]

STK002968
Synonyms: (4-ethylpiperazin-1-yl)[1-(2-hydroxybenzyl)piperidin-4-yl]methanone
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccccc1O

STK003016
Synonyms: 4-methyl-3-nitro-N-(2-nitrophenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Nc1ccccc1[N+](=O)[O-]

STK003044
Synonyms: 2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(N)nc(cc1c1ccc(cc1)OC)C(C)(C)C

STK003061
Synonyms: N-{[5-(butan-2-yl)-2-hydroxyphenyl]carbamothioyl}-3,4-dichlorobenzamide
Smiles: CCC(c1ccc(c(c1)NC(=S)NC(=O)c1ccc(c(c1)Cl)Cl)O)C

STK003094
Synonyms: N-[3-(morpholin-4-ylcarbonyl)-4-phenylthiophen-2-yl]-2-phenylacetamide
Smiles: O=C(Nc1scc(c1C(=O)N1CCOCC1)c1ccccc1)Cc1ccccc1

STK003102
Synonyms: (2E)-4-[(2,6-dimethoxyphenyl)amino]-4-oxobut-2-enoicacid
Smiles: COc1cccc(c1NC(=O)/C=C/C(=O)O)OC

STK003108
Synonyms: ethyl2-{[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCC2

STK003143
Synonyms: (3,5-diphenyl-1H-pyrazol-1-yl)(2-hydroxyphenyl)methanone
Smiles: Oc1ccccc1C(=O)n1nc(cc1c1ccccc1)c1ccccc1

STK003150
Synonyms: (6Z)-6-benzylidene-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1nn2c(=NC(=O)/C(=C\c3ccccc3)/C2=N)s1

STK003165
Synonyms: 3-bromo-N'-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzohydrazide
Smiles: Brc1cccc(c1)C(=O)N/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

STK003168
Synonyms: N'-[(1E)-1-cyclopropylethylidene]benzohydrazide
Smiles: O=C(c1ccccc1)N/N=C(/C1CC1)\C

STK003171
Synonyms: 3-(2-chlorophenyl)-1-hydroxy-1-propan-2-ylurea
Smiles: CC(N(C(=O)Nc1ccccc1Cl)O)C

STK003209
Synonyms: N-(4-chlorophenyl)-5-(pyridin-4-yl)-2-thioxo-1,3,4-oxadiazole-3(2H)-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)n1nc(oc1=S)c1ccncc1

STK003217
Synonyms: methyl5-hydroxy-5-(4-methylphenyl)-1-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Smiles: COC(=O)C1=NN(C(C1)(O)c1ccc(cc1)C)C(=O)c1ccccc1

STK003219
Synonyms: (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(3-phenoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cccc(c1)Oc1ccccc1)c1nc2c(s1)cccc2

STK003228
Synonyms: N'-{(2Z)-6-chloro-3-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2H-chromen-2-ylidene}-4-methylbenzohydrazide
Smiles: Cc1ccc(cc1)C(=O)N/N=c/1\oc2ccc(cc2cc1c1scc(n1)c1ccc(c(c1)Cl)Cl)Cl

STK003257
Synonyms: 2-[(2E)-2-(3,5-dibromo-4-hydroxybenzylidene)hydrazinyl]pyridine-3-carboxylicacid
Smiles: OC(=O)c1cccnc1N/N=C/c1cc(Br)c(c(c1)Br)O

STK003268
Synonyms: N-(2,6-dimethoxypyrimidin-4-yl)-4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C=CC1=O

STK003275
Synonyms: [(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]aceticacid
Smiles: N#Cc1c(SCC(=O)O)nc(c2c1CCCC2)C

STK003276
Synonyms: N-(2,4-dimethoxyphenyl)-6,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-amine
Smiles: COc1ccc(c(c1)OC)NC1CC(C)Nc2c1cc(OC)cc2OC

STK003279
Synonyms: (4-phenylpiperazin-1-yl)(piperidin-4-yl)methanone
Smiles: O=C(C1CCNCC1)N1CCN(CC1)c1ccccc1

STK003292
Synonyms: (2E)-N-benzyl-3-{1-[2-(2-chlorophenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccccc1Cl)/C(=O)NCc1ccccc1

STK003313
Synonyms: methyl4-{5-[(Z)-(2-benzyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK003317
Synonyms: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylbutoxy)benzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)OCCC(C)C)sc2c1CC(C)CC2

STK003365
Synonyms: 3-acetyl-8-(butoxymethyl)-3-methyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Smiles: CCCCOCC1OC(=O)C2(C1)CC(OC2=O)(C)C(=O)C

STK003367
Synonyms: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1cccc2c1cccc2)C

STK003379
Synonyms: 2-phenyl-2-(quinolin-7-ylamino)-1H-indene-1,3(2H)-dione
Smiles: O=C1c2ccccc2C(=O)C1(Nc1ccc2c(c1)nccc2)c1ccccc1

STK003393
Synonyms: 3-bromo-4-hydroxy-7,9-dimethylthieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: Cc1cc(C)c2c(n1)sc1c2[nH]c(=O)c(c1O)Br

STK003404
Synonyms: 6-amino-1-(4-bromophenyl)-4-(4-chlorophenyl)-3-methyl-1,3a,4,7a-tetrahydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)OC2C(C1c1ccc(cc1)Cl)C(=NN2c1ccc(cc1)Br)C

STK003414
Synonyms: 1,2,4-oxadiazole-3,5-diyldibenzene-4,1-diylbis(4-ethoxy-2,3-difluorobenzoate)
Smiles: CCOc1ccc(c(c1F)F)C(=O)Oc1ccc(cc1)c1onc(n1)c1ccc(cc1)OC(=O)c1ccc(c(c1F)F)OCC

STK003432
Synonyms: 3-({[4-(diethylamino)phenyl]amino}methyl)-1,3-benzoxazol-2(3H)-one
Smiles: CCN(c1ccc(cc1)NCn1c(=O)oc2c1cccc2)CC

STK003453
Synonyms: (2E)-N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide
Smiles: O=C(NC(=S)Nc1cccc(c1C)c1nc2c(o1)cccc2)/C=C/c1ccc(cc1)Cl

STK003480
Synonyms: 2-(1H-benzotriazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1ccccc1O

STK003493
Synonyms: (Z)-(benzylimino)[(4-methylphenyl)sulfonyl]methanethiol
Smiles: Cc1ccc(cc1)S(=O)(=O)/C(=N\Cc1ccccc1)/S

STK003498
Synonyms: 2,2,2-trifluoro-N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
Smiles: O=C(C(F)(F)F)Nc1nnc(s1)COc1ccccc1F

STK003543
Synonyms: 2-{[1-(2,4-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccc(cc1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK003554
Synonyms: 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylicacid
Smiles: Fc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)C(=O)O

STK003562
Synonyms: 1-(2-methoxyphenyl)-3-{5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Smiles: CCCc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccccc1OC

STK003573
Synonyms: 1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Sc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK003589
Synonyms: 3-benzyl-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoicacid
Smiles: OC(=O)CC(C(=O)Nc1cccc(c1C)Cl)Cc1ccccc1

STK003601
Synonyms: 2-bromo-6-(4-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(Br)nc(cc1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)C

STK003610
Synonyms: 1-[(2-methylprop-2-en-1-yl)sulfanyl]-4-(phenylcarbonyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCCC3

STK003612
Synonyms: 9-phenylacenaphtho[1,2-e]imidazo[1,2-b][1,2,4]triazine
Smiles: c1ccc(cc1)c1nc2n(c1)nc1c(n2)c2cccc3c2c1ccc3

STK003653
Synonyms: (2E)-1-(4-chlorophenyl)-3-[(6-methylpyridin-2-yl)amino]prop-2-en-1-one
Smiles: Clc1ccc(cc1)C(=O)/C=C/Nc1cccc(n1)C

STK003669
Synonyms: N-{4-tert-butyl-1-[1-(diphenylmethyl)-1H-tetrazol-5-yl]cyclohexyl}-2-methoxyacetamide
Smiles: COCC(=O)NC1(CCC(CC1)C(C)(C)C)c1nnnn1C(c1ccccc1)c1ccccc1

STK003677
Synonyms: benzene-1,3-diylbis(4-chlorobenzoate)
Smiles: O=C(c1ccc(cc1)Cl)Oc1cccc(c1)OC(=O)c1ccc(cc1)Cl

STK003686
Synonyms: 1-[3-(benzyloxy)benzyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)Cc2cccc(c2)OCc2ccccc2)C)ccc1OC

STK003710
Synonyms: 1-[3-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)propyl]-3-phenylthiourea
Smiles: S=C(Nc1ccccc1)NCCCC1NC(=S)N(C1=O)c1ccccc1

STK003732
Synonyms: ethyl{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c(SC)nc1c2c2CCCc2s1

STK003739
Synonyms: N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide
Smiles: COc1ccc2c(c1)cc(c(=O)o2)C(=O)Nn1c(C)nnc1C

STK003771
Synonyms: 1-[(1E)-1-[4-(dimethylamino)phenyl]-3-oxo-3-(3,3,4-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)prop-1-en-2-yl]pyridin-2(1H)-one
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O)N1CC2CC1C(C)C(C2)(C)C

STK003775
Synonyms: 2-({[4-(dimethylamino)phenyl]amino}methyl)-1H-isoindole-1,3(2H)-dione
Smiles: CN(c1ccc(cc1)NCN1C(=O)c2c(C1=O)cccc2)C

STK003791
Synonyms: 4-tert-butylphenyl4-tert-butylbenzoate
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C

STK003793
Synonyms: 2-methoxy-N-(naphthalen-1-yl)-2-phenylacetamide
Smiles: COC(C(=O)Nc1cccc2c1cccc2)c1ccccc1

STK003800
Synonyms: N-[1-(4-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]-2-phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1ccc(cc1)Cl)c1ccccc1cc2

STK003803
Synonyms: 1-(3-ethoxy-4-hydroxybenzyl)-N-(2-phenylethyl)piperidine-4-carboxamide
Smiles: CCOc1cc(ccc1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK003834
Synonyms: (4Z)-4-[2-(9,10-dioxo-9,10-dihydroanthracen-2-yl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK003843
Synonyms: 2-(2-nitrophenoxy)-N'-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)acetohydrazide
Smiles: O=C(COc1ccccc1[N+](=O)[O-])NN=C1C(=O)NC(=O)NC1=O

STK003856
Synonyms: N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
Smiles: COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)N1CCCC1=O)OC

STK003872
Synonyms: 1-(biphenyl-4-yl)-1H-pyrrole-2,5-dione
Smiles: O=C1C=CC(=O)N1c1ccc(cc1)c1ccccc1

STK003878
Synonyms: N-{(2Z)-6-chloro-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-ylidene}-1,3-thiazol-2-amine
Smiles: Cc1ccc(cc1)c1csc(n1)c1cc2cc(Cl)ccc2o/c/1=N\c1nccs1

STK003908
Synonyms: 7-tert-butyl-2-{4-[(2-chlorobenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1ccccc1COc1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)C

STK003909
Synonyms: 1-(3,4-dichlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]urea
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)Nc1ccc(c(c1)Cl)Cl

STK003914
Synonyms: 2-amino-6-[(2-chlorobenzyl)sulfanyl]pyridine-3,5-dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCc1ccccc1Cl)N

STK003954
Synonyms: dimethyl2-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)NS(=O)(=O)c1ccc(cc1)C)C(=O)OC

STK003971
Synonyms: tert-butyl(2E)-2-{4-[(furan-2-ylcarbonyl)oxy]benzylidene}hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C/c1ccc(cc1)OC(=O)c1ccco1