MonarchInit/C3PO huggingface dataset:
Compound: N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3CC3)C(=O)C4=CSN=N4
Compound: 4-[bis(phenylmethyl)amino]-2-(dimethylamino)-3-pyridinecarbonitrile
SMILES: CN(C)C1=NC=CC(=C1C#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Compound: 2-(1H-indol-3-yl)-8-methylimidazo[1,2-a]pyridine
SMILES: CC1=CC=CN2C1=NC(=C2)C3=CNC4=CC=CC=C43
Compound: N-(3-chlorophenyl)-2-cyano-3-(3-pyridinyl)-2-propenamide
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C(=CC2=CN=CC=C2)C#N
Compound: 6-methoxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=NC=C3)CC2
Compound: 3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)O
Compound: N'-[(2-methyl-3-indolylidene)methyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILES: CC1=NC2=CC=CC=C2C1=CNNC(=O)C3=CC(=NN3)C4=CC=CC=C4
Compound: N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide
SMILES: CSC1=NSC(=N1)NC(=O)CC2=CC=CC=C2
Compound: 3-(2-furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
SMILES: COC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CO4
Compound: N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCCO
Compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(phenylmethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetamide
SMILES: CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3
Compound: 3-(4-methoxyphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-4-imidazolidinone
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CS3)NC2=S
Compound: 3-(3-methoxyphenyl)-2-propenoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: COC1=CC=CC(=C1)C=CC(=O)OCC(=O)NCC2=CC=CO2
Compound: 3-[2-[[1-[2-(2-methylanilino)-2-oxoethyl]-2,5-dioxo-4-imidazolidinylidene]methyl]-1-pyrrolyl]benzoic acid
SMILES: CC1=CC=CC=C1NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)NC2=O
Compound: 3-(3-nitrophenyl)-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-1H-pyrazole-5-carbohydrazide
SMILES: CC(=C1C=CC=CC1=O)NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide
SMILES: CC1=C(C(=C(S1)NC(=O)C2=CC=NN2C)C#N)C3=CC=C(C=C3)OC
Compound: 4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=C(C=CC(=C4)OC)OC
Compound: 2-(2,4-dioxo-3-thiazolidinyl)-N-[4-(4-morpholinyl)phenyl]acetamide
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)CN3C(=O)CSC3=O
Compound: 4-[[(3,6-dichloro-2-methoxyphenyl)-oxomethyl]amino]benzoic acid propyl ester
SMILES: CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2OC)Cl)Cl
Compound: 2,4-dichlorobenzoic acid (6,7-dihydro-5H-benzofuran-4-ylideneamino) ester
SMILES: C1CC2=C(C=CO2)C(=NOC(=O)C3=C(C=C(C=C3)Cl)Cl)C1
Compound: 4-[[(3,4-dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)OC
Compound: 1-(2-tert-butylphenyl)-3-cyclohexylthiourea
SMILES: CC(C)(C)C1=CC=CC=C1NC(=S)NC2CCCCC2
Compound: 3-methoxycinnoline
SMILES: COC1=CC2=CC=CC=C2N=N1
Compound: 3-[(3-chlorophenyl)methyl]-N-(2-furanylmethyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
SMILES: C1=CC(=CC(=C1)Cl)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCC4=CC=CO4
Compound: 1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CN1C2=CC=CC=C2C3=C(C1=O)C=C(N3C)C(=O)NCCC4=CSC=C4
Compound: 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-5-thiazolyl]propanoic acid methyl ester
SMILES: COC1=CC=C(C=C1)C2=C(SC(=N2)NC3CCCCC3)CCC(=O)OC
Compound: 3,6-dichloro-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide
SMILES: C1=CC(=CN=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl
Compound: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)NCC3CCCO3
Compound: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=N2
Compound: 2-[[[2-[(5-methoxycarbonyl-2-furanyl)methoxy]-2-oxoethyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCC(=O)OCC3=CC=C(O3)C(=O)OC)C
Compound: 6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile
SMILES: C1=CC(=CC=C1N2C(=C(C(=NC2=O)CN3C=NC=N3)C#N)N)Cl
Compound: N'-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)OC
Compound: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one
SMILES: C1COC2=C(O1)C=CC(=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6
Compound: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)NC(=O)N4C
Compound: 2-(2,4-dimethylanilino)-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
SMILES: CC1=CC(=C(C=C1)NC2=C(C(=CC(=N2)C)COC)C#N)C
Compound: 1-(3,4-dichlorophenyl)-3-(3-pyridinylmethyl)thiourea
SMILES: C1=CC(=CN=C1)CNC(=S)NC2=CC(=C(C=C2)Cl)Cl
Compound: LSM-20628
SMILES: C1=CC=C(C=C1)OC(=O)C(C#N)C2=CC=CC=N2
Compound: N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester
SMILES: CC(C)OC(=O)NCCOC(=O)NC1=CC(=CC=C1)Cl
Compound: 7-ethyl-1-[(phenylmethyl)amino]-3-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: CCN1CCC2=C(C(=NC(=C2C1)NCC3=CC=CC=C3)N4CCCCC4)C#N
Compound: LSM-20631
SMILES: CC(C)CCOC(=O)C1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC4=CC=CS4)O2
Compound: 2-[[[2-[(4-bromophenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid
SMILES: C1=CC=C(C=C1)CN(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br
Compound: 6-(4-methylphenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
SMILES: CC1=CC=C(C=C1)C2=CN3C(=N2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
Compound: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
SMILES: CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4
Compound: (2S)-2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl
Compound: 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
SMILES: CCCCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC#N
Compound: 1-(4-chlorophenyl)sulfonyl-N-[3-methoxy-4-(1-tetrazolyl)phenyl]-4-piperidinecarboxamide
SMILES: COC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)N4C=NN=N4
Compound: 2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide
SMILES: CC1=CC(=O)C2=C(N1CC(=O)NC3=CC=CC=C3OC)C(=CC=C2)OC
Compound: LSM-20639
SMILES: CC1=NN2C(=C1C3=CC=CC=C3)N=C4CCCC4=C2NC(C)C
Compound: 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester
SMILES: CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)N2CCC3=CC=CC=C32
Compound: N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CO3
Compound: N-[4-[1-[(4-bromophenyl)sulfonylhydrazinylidene]ethyl]phenyl]-5-methyl-2-furancarboxamide
SMILES: CC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=NNS(=O)(=O)C3=CC=C(C=C3)Br)C
Compound: 2-[2-(ethylthio)-1-benzimidazolyl]-1-(1-piperidinyl)ethanone
SMILES: CCSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCC3
Compound: N-(3,5-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C)C
Compound: 3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(4-morpholinyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILES: CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCN3CCOCC3)C4=CC(=C(C=C4)OC)OC
Compound: N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide
SMILES: CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCC4(CC3)OCCO4)C(=O)NC5=CC=CC=C5Cl
Compound: 4-[[(4S)-2-amino-3-[2-(1-naphthalenyl)ethyl]-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILES: C1[C@@H](N(C(=N1)N)CCC2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)O
Compound: N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
Compound: 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-indolyl]acetic acid methyl ester
SMILES: COC(=O)CC1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl
Compound: 4-morpholinyl-[4-[3-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methanone
SMILES: C1CN(CCC1C2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)N5CCOCC5
Compound: 2-[1-chloro-2-(3-fluorophenyl)ethenyl]-7-(trifluoromethyl)-1H-quinazolin-4-one
SMILES: C1=CC(=CC(=C1)F)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)Cl
Compound: 2-[2-[5-amino-4-(3-thiophenyl)-1-pyrazolyl]-4-phenyl-5-thiazolyl]acetic acid
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)N3C(=C(C=N3)C4=CSC=C4)N)CC(=O)O
Compound: 2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester
SMILES: CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C4C=CC=C5C4=C(C=C3)NC5=O)C
Compound: 3-(3-pyridinylmethylthio)-6-thiophen-2-ylpyridazine
SMILES: C1=CC(=CN=C1)CSC2=NN=C(C=C2)C3=CC=CS3
Compound: 8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione
SMILES: C=C1C2=CC3=C(C=C2NC(=S)N1CC4=CC=CC=C4)OCO3
Compound: 4-[(1-ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile
SMILES: CCN1C2=C(C=N1)C(=CC(=N2)C)OCC3=CC=C(C=C3)C#N
Compound: N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILES: CC1CC(CC(C1)(C)C)NC(=O)C2=NC=NN2
Compound: 2-[(3-chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
SMILES: C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC(=CC=C4)Cl
Compound: 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-5-oxazolecarboxamide
SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CN=C(O2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methyl-3-isoxazolecarboxamide
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=NOC(=C2)C
Compound: LSM-20661
SMILES: CN(C)C(=O)C1=CC2=C(N1CC3=CC=C(C=C3)OC(F)(F)F)C[C@@H]4[C@H]2[C@](N(C4)C(=O)C5=CC=CC=C5)(CC6=CC=C(C=C6)F)C(=O)OC
Compound: 1-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILES: CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)N3CCC(=CC3)C4=CC=C(C=C4)F
Compound: 2-(4-methylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILES: CC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4C3=O
Compound: 2-[[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester
SMILES: CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC4=CC=CC=C43
Compound: 2-cyano-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]acetohydrazide
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])NNC(=O)CC#N)[N+](=O)[O-])C(F)(F)F
Compound: N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-(4-methoxyphenyl)acetamide
SMILES: CCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)CC4=CC=C(C=C4)OC
Compound: 3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILES: CC1=NC(=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3OC)OC
Compound: (6-methoxy-3,4-dihydro-2H-carbazol-1-yl)hydrazine
SMILES: COC1=CC2=C3CCCC(=C3N=C2C=C1)NN
Compound: 4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1OC2=CC=CC=C2)C3=CC=CC=C3
Compound: LSM-20670
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4
Compound: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-nitrobenzamide
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C
Compound: 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide
SMILES: C1COCCN1CCNC(=O)CC2=CC(=O)NC(=O)N2
Compound: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
SMILES: C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC=CO3
Compound: N2-(4-methylphenyl)benzene-1,2-diamine
SMILES: CC1=CC=C(C=C1)NC2=CC=CC=C2N
Compound: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoic acid
SMILES: CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)O
Compound: 1-(1-naphthalenylmethyl)-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NCC2=CC=CC3=CC=CC=C32
Compound: N'-(3-methylphenyl)cyclobutanecarbohydrazide
SMILES: CC1=CC(=CC=C1)NNC(=O)C2CCC2
Compound: 2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILES: CCSC1=NN=C(O1)C2=CC=C(C=C2)OC
Compound: 3-(phenylmethyl)-1H-quinoxalin-2-one
SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3NC2=O
Compound: 9-(1H-indol-3-yl)acridine
SMILES: C1=CC=C2C(=C1)C(=CN2)C3=C4C=CC=CC4=NC5=CC=CC=C53
Compound: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(4-morpholinyl)-2-pyridin-4-ylacetohydrazide
SMILES: C1COCCN1C(C2=CC=NC=C2)C(=O)NNC=C3C=C(C=CC3=O)Br
Compound: 3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
SMILES: COC1=CC(=C(C=C1)N2C(=O)C3=C(NC2=S)SC(=C3)C4=CC=CC=C4)OC
Compound: 4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NCCS2
Compound: 1-(3-phenoxypropyl)-3-indolecarbonitrile
SMILES: C1=CC=C(C=C1)OCCCN2C=C(C3=CC=CC=C32)C#N
Compound: (2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester
SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCC2=CC=CC=C2
Compound: 2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
SMILES: CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3CCCO3
Compound: 5-amino-6-[(2-methyl-3-indolylidene)methyl]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CCC(CC)C1=NN2C(=C(C(=O)N=C2S1)C=C3C(=NC4=CC=CC=C43)C)N
Compound: 4-chloro-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Cl
Compound: 5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILES: C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=NC(=NO4)C5=CC=CS5
Compound: 5,5-diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)NN)CC
Compound: 1-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-3-thiophen-2-ylurea
SMILES: CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CS3
Compound: N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide
SMILES: CCCN1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=CS3
Compound: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]ethanol
SMILES: C1=CC=C(C=C1)NC2=NN=C(S2)SCCO
Compound: N-(4-fluorophenyl)-4-methyl-1-piperidinecarbothioamide
SMILES: CC1CCN(CC1)C(=S)NC2=CC=C(C=C2)F
Compound: 2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4
Compound: acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester
SMILES: CC(=O)OC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2
Compound: 3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NCC3=CC=CO3)N4CCCCCC4
Compound: N-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
Compound: 4-tert-butyl-N-[3-[4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C(C)(C)C
Compound: 2-(3-bromophenyl)-6-methyl-N-(1,2,4-triazol-4-yl)-4-quinolinecarboxamide
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)NN3C=NN=C3)C4=CC(=CC=C4)Br
Compound: 4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)C(=O)O
Compound: 4-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S
Compound: 1-[[3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinone
SMILES: CC1=CC(=O)N(C2=CC=CC=C12)CC3CC(=NO3)C4=CC=C(C=C4)Cl
Compound: 4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CO3
Compound: N-[[5-(3-bromophenyl)-2-furanyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILES: CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)Br
Compound: (2S)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NCCCCCNC(=O)OC(C)(C)C
Compound: 5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILES: COC1=C(C(=CC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3)Br)OCC4=CC=CC=C4F
Compound: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: CC1CC(CN(C1)CCCNC(=O)C2=CSC3=C2CCCC3)C
Compound: N-[2,5-diethoxy-4-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=S)NCC(C)C
Compound: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester
SMILES: C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F
Compound: 1-[(4-fluorophenyl)-oxomethyl]-5-(phenylmethylene)-2-sulfanylidene-4-imidazolidinone
SMILES: C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2C(=O)C3=CC=C(C=C3)F
Compound: 2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide
SMILES: C1=CC=C(C(=C1)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=C(C=CC=C4F)F)F
Compound: 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILES: CC(C(=O)N1CCCC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C3=O
Compound: N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
SMILES: CCCCN(C1=NN=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CO3
Compound: 2-furanyl-[4-[3-(4-methoxyphenyl)-7-isothiazolo[4,5-d]pyrimidinyl]-1-piperazinyl]methanone
SMILES: COC1=CC=C(C=C1)C2=NSC3=C2N=CN=C3N4CCN(CC4)C(=O)C5=CC=CO5
Compound: benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC
Compound: 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile
SMILES: CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N
Compound: 6-[amino(methyl)amino]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
SMILES: CCNC1=NC(=NC(=N1)N(C)N)NCC
Compound: 4-[(2-methoxy-1-naphthalenyl)methyl]thiomorpholine
SMILES: COC1=C(C2=CC=CC=C2C=C1)CN3CCSCC3
Compound: 2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide
SMILES: CN1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Br
Compound: 3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone
SMILES: CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)F)F)C
Compound: 2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES: CC1=NC2=NC(=NN2C(=C1)NC3=CC(=C(C(=C3)OC)OC)OC)C
Compound: N'-(4-nitrophenyl)-9-oxo-3-bicyclo[3.3.1]nonanecarbohydrazide
SMILES: C1CC2CC(CC(C1)C2=O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-]
Compound: acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester
SMILES: CC1=C(CC2=C(C=CC(=C2C1)OC(=O)C)OC(=O)C)C
Compound: 1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide
SMILES: COC1=CC=C(C=C1)C2(CCCC2)C(=O)NC3=NN=CS3
Compound: 4-chloro-N-(4-methyl-2-thiazolyl)-2-nitrobenzamide
SMILES: CC1=CSC(=N1)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
Compound: 4-[3-(3-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILES: C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)F
Compound: 2-[(4-chlorophenyl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)Cl
Compound: N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILES: CC1=CC2=C(C=C1S(=O)(=O)NC3=CC(=CC(=C3)OC)OC)OCC(=O)N2
Compound: 2-(3-acetamidophenoxy)-N-phenylacetamide
SMILES: CC(=O)NC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2
Compound: N-[2-methyl-5-(2-thiazolo[5,4-b]pyridinyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC5=C(CCCC5)C=C4
Compound: N-(3-acetamidophenyl)-2-methoxybenzamide
SMILES: CC(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2OC
Compound: 4-amino-N-(1-phenylethyl)benzamide
SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N
Compound: 2-oxo-N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-1-benzopyran-3-carboxamide
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC5=CC=CC=C5OC4=O
Compound: 3-(4-bromophenyl)-1,2,3-benzotriazin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)C3=CC=C(C=C3)Br
Compound: 4-chloro-N-(2-pyridinyl)-1-naphthalenesulfonamide
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)S(=O)(=O)NC3=CC=CC=N3
Compound: 1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one
SMILES: CCCCN1C2=C(C=C3C(=C2)N=C(C(=O)N3)C(C)C)N=C1C4=CC=CC=C4C
Compound: N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)Cl)Cl
Compound: N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide
SMILES: CCCS(=O)(=O)NCC1=CN2C(=CSC2=N1)C
Compound: 5,7-dihydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC3=CC=CC=C3
Compound: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
SMILES: CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)C4=CC=CC=C4
Compound: 2-(4-chlorophenyl)-5-(2-oxolanylmethylamino)-4-oxazolecarbonitrile
SMILES: C1CC(OC1)CNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N
Compound: N-(2-oxolanylmethyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide
SMILES: C1CC(OC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CN=CC=C4
Compound: N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester
SMILES: CC1=CC=C(C=C1)NC(=O)ON=C2CCCC2
Compound: N-(4-bromo-2-fluorophenyl)-1-methylsulfonyl-4-piperidinecarboxamide
SMILES: CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)F
Compound: 4-(2-hydroxyanilino)-3-penten-2-one
SMILES: CC(=CC(=O)C)NC1=CC=CC=C1O
Compound: 3-chlorobenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester
SMILES: C1CC2=CC=CC=C2C(=NOC(=O)C3=CC(=CC=C3)Cl)C1
Compound: benzamidothiourea
SMILES: C1=CC=C(C=C1)C(=O)NNC(=S)N
Compound: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC4=C(C=C3)N=CS4
Compound: 3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C4=C(C=C(C=C4)Cl)Cl
Compound: 1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine
SMILES: CC1CCN(CC1)CCCOC2=C(C=C(C=C2)Cl)Br
Compound: N-(2-furanylmethyl)-3-(2,4,8,10-tetramethyl-3-pyrido[2,3]pyrazolo[2,4-a]pyrimidinyl)propanamide
SMILES: CC1=CC(=NC2=NN3C(=C(C(=NC3=C12)C)CCC(=O)NCC4=CC=CO4)C)C
Compound: 1-(4,5-dihydrothiazol-2-yl)-3-phenylurea
SMILES: C1CSC(=N1)NC(=O)NC2=CC=CC=C2
Compound: N-(3-methoxyphenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide
SMILES: COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3
Compound: N-[(2,6-dichlorophenyl)methoxy]-2-methyl-1,3-dithian-5-imine
SMILES: CC1SC/C(=N\OCC2=C(C=CC=C2Cl)Cl)/CS1
Compound: 2-[[hydroxy(methyl)amino]methylidene]-8-quinolinone
SMILES: CN(C=C1C=CC2=CC=CC(=O)C2=N1)O
Compound: N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNS(=O)(=O)C3=CC=CC=C3
Compound: 2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)OC(=CC2=O)CO)N
Compound: N,N-dibutyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide
SMILES: CCCCN(CCCC)C(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C2=O
Compound: 2-ethoxy-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide
SMILES: CCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC(=N3)C
Compound: 1-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-[(4-chlorophenyl)methyl]thiourea
SMILES: C1=CC(=CC=C1CNC(=S)NNC(=O)C2=CC=C(O2)Br)Cl
Compound: 2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester
SMILES: CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)COC3=CC=C(C=C3)C=O
Compound: 2-[4-[[(3,4-dichlorophenyl)-oxomethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester
SMILES: CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)(C(F)(F)F)O
Compound: (4-methyl-1-piperazinyl)-(2-thieno[3,2-b][1]benzothiolyl)methanone
SMILES: CN1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4S3
Compound: N-ethyl-N-(2-ethylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILES: CCC1=CC=CC=C1N(CC)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C
Compound: N-(1,3-dioxo-5-isoindolyl)-1,3-benzothiazole-6-carboxamide
SMILES: C1=CC2=C(C=C1C(=O)NC3=CC4=C(C=C3)C(=O)NC4=O)SC=N2
Compound: 1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
SMILES: C1CCC(C1)N2CC(CC2=O)C(=O)NCCN3CCC4=CC=CC=C4C3
Compound: 4-chloro-N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4
Compound: 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
SMILES: C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)C3=CC=CS3)CC(=O)O
Compound: [5-(2-methoxyphenyl)-3-isoxazolyl]-(1-piperidinyl)methanone
SMILES: COC1=CC=CC=C1C2=CC(=NO2)C(=O)N3CCCCC3
Compound: 2-[[(2-bromophenyl)-oxomethyl]amino]-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)F)NC(=O)C3=CC=CC=C3Br
Compound: 2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5
Compound: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C
Compound: 5-[3-(2-fluorophenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C=CC2=CC=CC=C2F
Compound: 1-(1,3-benzoxazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]-3-piperidinecarboxamide
SMILES: COC1=CC(=C(C=C1)OC)CNC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4O3
Compound: N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NN=CC3=CC(=CC=C3)O
Compound: 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea
SMILES: C1=CC(=CC(=C1)NC(=S)NN)C2=NNC(=S)O2
Compound: N-(2,3-dihydroinden-1-ylideneamino)-2,4-dimethylbenzamide
SMILES: CC1=CC(=C(C=C1)C(=O)NN=C2CCC3=CC=CC=C32)C
Compound: 3-amino-4,6-dimethyl-N-(thiophen-2-ylmethylideneamino)-2-thieno[2,3-b]pyridinecarboxamide
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)NN=CC3=CC=CS3)N)C
Compound: N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
SMILES: CC1=CC=C(C=C1)CN2C(=CC(=N2)C)C(=O)NC3=CC=C(C=C3)Cl
Compound: 1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea
SMILES: CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NNC(=S)NC3=CC=CC=C3
Compound: 1-(3-fluorophenyl)-3-(2-pyridinylmethyl)thiourea
SMILES: C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC=C2)F
Compound: N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(methylthio)phenyl]methanamine
SMILES: COC1=CC(=CC(=C1)CNCC2=CC=C(C=C2)SC)OC
Compound: 1-[[amino(2-pyridinyl)methylidene]amino]-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NN=C(C2=CC=CC=N2)N
Compound: 3-[[1-(dimethylsulfamoyl)-4-piperidinyl]oxy]-N-[(3-methyl-5-isoxazolyl)methyl]benzamide
SMILES: CC1=NOC(=C1)CNC(=O)C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)N(C)C
Compound: 4-(1H-benzimidazol-2-yl)quinoline
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=NC4=CC=CC=C4N3
Compound: 1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one
SMILES: CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCC3
Compound: 2-[[(1-propan-2-yl-2-benzimidazolyl)amino]methyl]-6-prop-2-enylphenol
SMILES: CC(C)N1C2=CC=CC=C2N=C1NCC3=CC=CC(=C3O)CC=C
Compound: N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
SMILES: CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC)C
Compound: 1-[(2-chlorophenyl)methyl]-5-[(5-methyl-2-furanyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC=C(O1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3Cl
Compound: 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea
SMILES: COC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester
SMILES: CCCCOC(=O)NC1=CC=C(C=C1)N2CCOCC2
Compound: 2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C
Compound: 2-methyl-N-(3-methylphenyl)-3-imidazo[1,2-a]pyridinecarboxamide
SMILES: CC1=CC(=CC=C1)NC(=O)C2=C(N=C3N2C=CC=C3)C
Compound: N-[2-(2,3,4-trimethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
SMILES: COC1=C(C(=C(C=C1)CCNC(=O)C2=NN3C=CC=CC3=C2)OC)OC
Compound: 3,4-dichloro-N-[(1-methyl-4-pyrazolyl)methyl]-1-benzothiophene-2-carboxamide
SMILES: CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl
Compound: 3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-one
SMILES: C1=CC=C2C(=C1)C(N(C2=O)C3=CC=CC=N3)NC4=NC=C(C=C4)Cl
Compound: N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide
SMILES: CC1=NC(=CS1)CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile
SMILES: CC1=C(C2=C(N1)C(=CC=C2)Br)[C@H]3[C@H](C3(C)C)CC#N
Compound: 6-(4-ethylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: CCC1=CC=C(C=C1)C2=NN3C(=NN=C3SC)C=C2
Compound: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)COC2=CC=C(C=C2)Cl
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-fluorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SCCS(=O)(=O)C4=CC=C(C=C4)F
Compound: N-(2-furanylmethyl)-2-[[4-oxo-3-[3-(1-pyrrolidinyl)propyl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetamide
SMILES: C1CCN(C1)CCCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCC5=CC=CO5
Compound: 5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide
SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=C(O3)Br)C
Compound: LSM-20806
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(N2C)N=C4C=CC=CN4C3=O
Compound: 3-(tert-butylsulfamoyl)-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester
SMILES: CC(C)(C)NS(=O)(=O)C1=C(SC(=C1C2=CC=CC=C2)C(F)(F)F)C(=O)OC
Compound: 4-hydroxy-1-methyl-N'-[(3-methylphenyl)-oxomethyl]-2-oxo-3-quinolinecarbohydrazide
SMILES: CC1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O
Compound: 5-[2-(4-bromophenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrazin-6-one
SMILES: C1CN=C(C(=O)N1)CC(=O)C2=CC=C(C=C2)Br
Compound: 3-(3-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]-1-(3-pyridinylmethyl)thiourea
SMILES: CC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=C(C(=CC=C3)Cl)C
Compound: 5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CO4)C#N)C
Compound: 3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILES: CC(CS(=O)(=O)C1=CC=CC=C1)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O
Compound: N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamide
SMILES: CC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)NC(=O)C
Compound: N-(2-anilino-2-oxoethyl)-2-methoxybenzamide
SMILES: COC1=CC=CC=C1C(=O)NCC(=O)NC2=CC=CC=C2
Compound: 4,5-dichloro-N-(2-pyridinyl)-3-dithiolimine
SMILES: C1=CC=NC(=C1)N=C2C(=C(SS2)Cl)Cl
Compound: 7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: CC(C)CCNC1=NC(=C2CN(CCC2=C1C#N)C)N3CCCC3
Compound: 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C)C=O
Compound: N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanesulfonamide
SMILES: CC(C1=CC=CC=C1)N2CCN3C(=NC4=C3C=CC(=C4)NS(=O)(=O)C)C2
Compound: LSM-20819
SMILES: CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5
Compound: 7,7-dimethyl-1-(4-methylphenyl)-N-[3-(4-morpholinyl)propyl]-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILES: CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)NCCCN4CCOCC4)C(=O)CC(C3)(C)C
Compound: 4-[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCC(C)N(C1CCN(CC1)C(=O)OCC)C(=O)NC2=CC(=C(C=C2)Cl)Cl
Compound: bis(3-methylbenzylidene)hydrazine
SMILES: CC1=CC=CC(=C1)C=NN=CC2=CC(=CC=C2)C
Compound: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]butanamide
SMILES: CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2Cl)SC3=NN=CN3C
Compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-cyclohexyl-2H-pyrrol-3-one
SMILES: C1CCC(CC1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3
Compound: LSM-20825
SMILES: CC1=NC(=O)C2=C(N1)C3=C(C4=C(CCC4)N=C3S2)C5=CC=C(C=C5)OC
Compound: 6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILES: C1COCCN1C(=O)CSC2=NC3=CC4=C(C=C3C=C2C#N)OCO4
Compound: N-(4-chloro-3-nitrophenyl)-3-phenylbutanamide
SMILES: CC(CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC=CC=C2
Compound: N-[3-(1,3-benzodioxol-5-yl)prop-2-enylideneamino]carbamic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)NN=CC=CC1=CC2=C(C=C1)OCO2
Compound: LSM-20829
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)C3C(C(=NC(=C3C(=O)OC)C)C)C(=O)OC
Compound: 4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=CC=NC=C3
Compound: 7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone
SMILES: CCN(CC1=CC(=O)N2C=CSC2=N1)CC3=NC(=O)C4=CC=CC=C4N3
Compound: N-[4-(1-naphthalenylmethyl)-1-piperazinyl]-1-(3-pyridinyl)methanimine
SMILES: C1CN(CCN1CC2=CC=CC3=CC=CC=C32)N=CC4=CN=CC=C4
Compound: 8-hydroxy-2-quinolinecarboxylic acid
SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)O
Compound: 1-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)NCCN(C)C)C
Compound: 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea
SMILES: COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)O
Compound: 1-(2-furanyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone
SMILES: CN1C(=NN=N1)SCC(=O)C2=CC=CO2
Compound: 1,1-dioxo-N-(2-oxolanylmethyl)-3-thiolanamine
SMILES: C1CC(OC1)CNC2CCS(=O)(=O)C2
Compound: LSM-20838
SMILES: CC1=NC2=C(C=NN2C3=C1CCN3CC4CCCO4)C#N
Compound: 2-(4-bromophenyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILES: CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Br
Compound: N-[5-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
SMILES: CN(C)CCCNC1=NC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Cl
Compound: 2-[2-(2-methylphenyl)-2-oxoethylidene]-4-thiazolidinone
SMILES: CC1=CC=CC=C1C(=O)C=C2NC(=O)CS2
Compound: 5-methyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)N[C@H](C2=CC=CC=C2)[C@]3(C[C@@H]3[C@@H](C)C(=O)NC4=CC5=CC=CC=C5C=C4)C
Compound: N-[3-(1-azepanyl)propyl]-5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxamide
SMILES: C1CCCN(CC1)CCCNC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3
Compound: N-[5-(phenylmethyl)-2-thiazolyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILES: C1CN=C(N1)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3
Compound: N-(1,3-benzothiazol-2-yl)-N-methylbenzamide
SMILES: CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3
Compound: 3-(methanesulfonamido)benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C
Compound: 5-tert-butyl-N-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide
SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F
Compound: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one
SMILES: C1CN(CCN1C2=CC=C(C=C2)O)C(=O)C=CC3=CC=CS3
Compound: 4-methylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32
Compound: LSM-20850
SMILES: COCCN1C2=C(C=C1C(=O)N3CCCC3)[C@H]4[C@@H](C2)CN([C@@]4(CC5=CC=C(C=C5)F)C(=O)OC)C(=O)C6=CC=CC=C6
Compound: 1-(6-methyl-2-pyridinyl)-N-(3-pyridinyl)-4-imidazolecarboxamide
SMILES: CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)NC3=CN=CC=C3
Compound: 1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
SMILES: O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCC
Compound: 3-(diethylsulfamoyl)-N-(3,5-dimethylphenyl)benzamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)C)C
Compound: N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide
SMILES: CCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC)C
Compound: 6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
SMILES: C1=CC=C(C(=C1)C2C(C(=S)NC(=C2C#N)N)C(=O)N)F
Compound: 1-(1-naphthalenylmethoxy)benzotriazole
SMILES: C1=CC=C2C(=C1)C=CC=C2CON3C4=CC=CC=C4N=N3
Compound: 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone
SMILES: CC1=NC(=NC=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: 4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CCC1=CC(=C2C(=C(NN2)C)C3=NC4=CC=CC=C4N3C)C(=O)C=C1O
Compound: N-(4-methoxyphenyl)-2-benzofurancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2
Compound: 4-(2,4-dimethyl-5-thiazolyl)-N-(phenylmethyl)-2-thiazolamine
SMILES: CC1=C(SC(=N1)C)C2=CSC(=N2)NCC3=CC=CC=C3
Compound: 2-[(3-methyl-2,4-dioxo-5-thiazolidinyl)amino]benzoic acid
SMILES: CN1C(=O)C(SC1=O)NC2=CC=CC=C2C(=O)O
Compound: 1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone
SMILES: CC(=O)C1=CSC(=N1)COC2=CC=C(C=C2)Cl
Compound: [4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine
SMILES: COC1=NC(=C(N)N=O)NC(=N1)N2CCCCC2
Compound: (3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone
SMILES: C1CCC2=C(CC1)N(C(=N2)C(=O)C3=CC=CC=C3)O
Compound: N-tert-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imine
SMILES: CC(C)(C)N=C1C(=CC=C2C1=NC3(N2O)CCCCC3)[N+](=O)[O-]
Compound: 2-[(4-methylphenyl)hydrazinylidene]-3-oxo-3-pyridin-4-ylpropanal
SMILES: CC1=CC=C(C=C1)NN=C(C=O)C(=O)C2=CC=NC=C2
Compound: LSM-20867
SMILES: CC1=NC2=C(C(C1C(=O)OCCOC(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2
Compound: 2-(2-cyclohexylidenehydrazinyl)benzoic acid
SMILES: C1CCC(=NNC2=CC=CC=C2C(=O)O)CC1
Compound: 5-(4-chlorophenyl)-N-(2-furanylmethyl)-3-isoxazolecarboxamide
SMILES: C1=COC(=C1)CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl
Compound: 1-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid methyl ester
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC(=C(C(=C3)OC)OC)OC)N4CCC(CC4)C(=O)OC)O
Compound: 2-[3-(4-morpholinyl)propylamino]-9-xanthenone
SMILES: C1COCCN1CCCNC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O
Compound: 4-methyl-N-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NN=C3C=CC(=O)C=C3
Compound: N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imine
SMILES: CCCCN=C1C(=CC=C2C1=NC3(N2O)CCCCC3)[N+](=O)[O-]
Compound: 2-[(4-fluorophenyl)hydrazo]-2-oxoacetic acid ethyl ester
SMILES: CCOC(=O)C(=O)NNC1=CC=C(C=C1)F
Compound: 2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
SMILES: CCCC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)CC
Compound: 1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone
SMILES: CC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2
Compound: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SMILES: CC1CCC2=C(N1C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F)C=CC(=C2)F
Compound: 4-[3-(2-furanyl)prop-2-enylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC=CC3=CC=CO3
Compound: 2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
SMILES: CC1=CC=CC=C1C(=O)NC(C)C2=NNC(=S)N2CC=C
Compound: N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester
SMILES: CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)OC(C)(C)C
Compound: 5-methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILES: CC1(C(=O)N(C(=O)N1)CC(=O)N2CCOCC2)C3=CC=CC=C3
Compound: 3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole
SMILES: C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=C(C=C4)F
Compound: 2-[[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C(S3)NC4=CC=CC=C4F
Compound: 4-[5-[[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CC(=CN=C3)Br
Compound: N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILES: CC1CCC2=NN(C=C2C1)CC(=O)NCCOC
Compound: N-(2-furanylmethyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4
Compound: 1-[5-(5-chloro-2-methylphenyl)-2-furanyl]-N-[4-(4-morpholinyl)phenyl]methanimine
SMILES: CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=NC3=CC=C(C=C3)N4CCOCC4
Compound: 3-(3,5-dimethylanilino)-5-(2-furanyl)-1-cyclohex-2-enone
SMILES: CC1=CC(=CC(=C1)NC2=CC(=O)CC(C2)C3=CC=CO3)C
Compound: N-[1,4-dimethyl-2,3-dioxo-7-(1-piperidinyl)-6-quinoxalinyl]-4-ethylbenzenesulfonamide
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)N(C(=O)C(=O)N3C)C)N4CCCCC4
Compound: 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3
Compound: 2',2'-dimethyl-3-spiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyridine-8,4'-thiane]one
SMILES: CC1(CC2(CCCN3C2SCC3=O)CCS1)C
Compound: 3-[[(3-methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC(=CC=C3)OC
Compound: 6-methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
SMILES: COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NCC3=CN=CC=C3
Compound: 2-amino-7-cyclohexyl-6,8-dioxo-4,5,5a,8a-tetrahydrothieno[2,3-e]isoindole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCC3C2C(=O)N(C3=O)C4CCCCC4)N
Compound: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(2-pyridinylmethyl)acetamide
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3=CC=CC=N3
Compound: 2-methyl-N'-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazide
SMILES: CC1=CC=CC=C1C(=O)NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C
Compound: 2-[oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohexanecarboxylic acid
SMILES: C1CCC(C(C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O
Compound: LSM-20899
SMILES: CCOC(=O)C1=C(C2=CC3=C(CC(OC3)(C)C)N=C2O1)N
Compound: 4-[methyl(methylsulfonyl)amino]-N-(2-phenylethyl)benzamide
SMILES: CN(C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2)S(=O)(=O)C
Compound: N-[(2,5-dimethoxyphenyl)methylideneamino]-1-methyl-6-oxo-3-pyridinecarboxamide
SMILES: CN1C=C(C=CC1=O)C(=O)NN=CC2=C(C=CC(=C2)OC)OC
Compound: 2-(2-ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindole
SMILES: CCOC1=CC=CC=C1N2CC3=CC(=C(C=C3C2)C)C
Compound: 3-(carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
SMILES: CC(=NNC(=S)N)CC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F
Compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
SMILES: CCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)OC
Compound: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl
Compound: 5-amino-2-(4-methylphenyl)isoindole-1,3-dione
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)N
Compound: 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(3-ethylphenyl)benzamide
SMILES: CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=O
Compound: 1-ethyl-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea
SMILES: CCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]
Compound: LSM-20909
SMILES: CC1=NC2=C(C=C1)C3=C(S2)C(=C(C(=N3)N)C#N)C4=CC=CC=C4
Compound: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-fluorobenzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])F
Compound: 5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILES: CCCCOC1=CC=CC(=C1)C2=NN=C(S2)N
Compound: N-[4-methyl-6-(1-oxobutylamino)-3-pyridinyl]-4-pyridinecarboxamide
SMILES: CCCC(=O)NC1=NC=C(C(=C1)C)NC(=O)C2=CC=NC=C2
Compound: 4-(dimethylsulfamoyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
SMILES: CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C)C=CC=C3C1=O
Compound: 4-phenyl-3H-thiazole-2-thione
SMILES: C1=CC=C(C=C1)C2=CSC(=S)N2
Compound: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4
Compound: 3-(1-azepanyl)-3-imino-2-(phenylhydrazinylidene)propanenitrile
SMILES: C1CCCN(CC1)C(=N)C(=NNC2=CC=CC=C2)C#N
Compound: N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
SMILES: CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC=CO4)CC(C)C
Compound: N-(5-quinolinyl)-2-benzofurancarboxamide
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=CC4=C3C=CC=N4
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-triazolecarboxamide
SMILES: CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3OCC4=CC=C(C=C4)F
Compound: [1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]-[4-(1-piperidinyl)-1-piperidinyl]methanone
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)N4CCCCC4
Compound: 2-pyridinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester
SMILES: C1=CC=NC(=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)Cl
Compound: 1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
SMILES: C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3F)F
Compound: N-(2-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILES: CCOC1=CC=CC=C1NC2=NC3=CC=CC=C3N4C2=NN=C4
Compound: LSM-20924
SMILES: CC1=C(C(C2C(=N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OCC5CCCO5
Compound: 2-(cyclohexylamino)-N-(4-ethylphenyl)-2-sulfanylideneacetamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C(=S)NC2CCCCC2
Compound: N-[(cyclopentylamino)-oxomethyl]-2-[4-(2-hydroxyphenyl)-1-piperazinyl]acetamide
SMILES: C1CCC(C1)NC(=O)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O
Compound: 6-methoxy-3-[[2-oxolanylmethyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)CC4=NN=NN4CC5=CC=CC=C5
Compound: 1-[2-(trifluoromethyl)phenyl]imidazole
SMILES: C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2
Compound: 1,3-benzodioxol-5-yl(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3
Compound: N-[2-(3,4-dihydroxyphenyl)ethyl]-9-octadecenamide
SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
Compound: LSM-20934
SMILES: CC(C)(C)[C@@]1(CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1)O
Compound: 3,7-dihydroxy-2-phenyl-1-benzopyran-4-one
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
Compound: N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
SMILES: CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO
Compound: 3-methoxy-5-(2-phenylethenyl)phenol
SMILES: COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
Compound: 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3
Compound: (2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-ol
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)OC)OC)O
Compound: 3,4-dichloroisocoumarin
SMILES: ClC1=C(Cl)C2=C(C=CC=C2)C(=O)O1
Compound: 7-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl]-5-heptenoic acid
SMILES: C1[C@H]([C@H](O[C@H](O1)C(F)(F)F)C2=CC=CC=C2O)CC=CCCCC(=O)O
Compound: 2-chloro-4-nitrobenzamide
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N
Compound: 5,7-dibromo-8-quinolinol
SMILES: C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1
Compound: (4R)-4-(1-methylethenyl)-1-cyclohexenecarboxylic acid
SMILES: CC(=C)[C@@H]1CCC(=CC1)C(=O)O
Compound: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl
Compound: 2,2-dichloro-N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
SMILES: C1=CC(=CC=C1[C@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Compound: (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone
SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)O
Compound: 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethyl-6-pyrano[3,2-g][1]benzopyranone
SMILES: CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC5=C(C=C4)OCO5)C
Compound: N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide
SMILES: CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3
Compound: 6-hydroxy-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-pyrano[3,2-g][1]benzopyranone
SMILES: CC(=CCC1=C2C(=C(C3=C1OC(=O)C(=C3O)C4=CC=C(C=C4)O)OC)C=CC(O2)(C)C)C
Compound: 3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S
Compound: (3R,4S)-3-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ol
SMILES: COC1=CC2=C(C=C1)[C@H]([C@@H](CO2)CC3=CC(=C(C=C3)OC)OC)O
Compound: 4-oxo-3-(phenylmethylene)pentanoic acid
SMILES: CC(=O)C(=CC1=CC=CC=C1)CC(=O)O
Compound: N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC