MonarchInit/C3PO huggingface dataset:
Compound: 2-cyano-3-[1-methyl-5-(4-methylphenyl)-2-pyrrolyl]-2-propenethioamide
SMILES: CC1=CC=C(C=C1)C2=CC=C(N2C)C=C(C#N)C(=S)N
Compound: 2-(2,4-dimethoxyphenyl)-N-[[4-methoxy-3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methylideneamino]-4-quinolinecarboxamide
SMILES: COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)OC)COCC(C(F)F)(F)F)OC
Compound: N-[(2-bromo-3-phenylprop-2-enylidene)amino]-5-(2-furanyl)-1H-pyrazole-3-carboxamide
SMILES: C1=CC=C(C=C1)C=C(C=NNC(=O)C2=NNC(=C2)C3=CC=CO3)Br
Compound: LSM-31933
SMILES: CC1=CN2C3=C(C=CC=N3)C(=O)N=C2S1
Compound: N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-morpholinecarboxamide
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=O)N4CCOCC4
Compound: 2-[[(2-chlorophenyl)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)CSC3=CC=CC=C3Cl)C
Compound: 3-amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(=C(S1)C)C(=O)NCCCN2CCOCC2)N
Compound: N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide
SMILES: COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)C4=CC=NC=C4)OC
Compound: N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3
Compound: dimethyl 4-[4-(diethylamino)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
SMILES: CCN(CC)C1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)OC)C)C)C(=O)OC
Compound: 1-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl
Compound: N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolyl)acetamide
SMILES: CC1(N=C(C(=O)N1CC(=O)NC2=CC(=CC(=C2)OC)OC)C3=CC=CC=C3)C
Compound: 3-chloro-4-propan-2-ylsulfonyl-2-thiophenecarbohydrazide
SMILES: CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)NN
Compound: 4-[[3-oxo-2-(3-pyridinyl)-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2C4=CN=CC=C4
Compound: 2-(6-chloro-3-pyridinyl)-1H-benzimidazole
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CN=C(C=C3)Cl
Compound: 3-(2-furanyl)-N-(3-pyridinyl)-2-propenamide
SMILES: C1=CC(=CN=C1)NC(=O)C=CC2=CC=CO2
Compound: N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2=CSC3=C2CCCC3
Compound: N,N,1-triethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC1=S
Compound: 2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CO3
Compound: 2-phenylacetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CC3=CC=CC=C3
Compound: N-(2-furanylmethyl)-4-methyl-N-(phenylmethyl)benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CO3
Compound: 3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
SMILES: CN(C)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O
Compound: 4-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile
SMILES: COCCN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4
Compound: 3-(1,3-benzothiazol-2-yl)propanoic acid phenacyl ester
SMILES: C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
Compound: 6-[[1-(2-chlorophenyl)-2-pyrrolyl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SMILES: CS(=O)(=O)C1=NSC2=NC(=O)C(=CC3=CC=CN3C4=CC=CC=C4Cl)C(=N)N21
Compound: LSM-31955
SMILES: CCN1CC2CCCC3(C1)C2=NC4(CCCCC4)NC3=O
Compound: 8-fluoro-4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)F)OC2
Compound: 2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)SC3=CC(=CC=C3)Cl
Compound: [5-[(2-methylphenyl)sulfonylmethyl]-2-furanyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone
SMILES: CC1=CC=CC=C1S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=NC=CC=N4
Compound: N-cyclopropyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide
SMILES: C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43
Compound: N-[3-cyano-4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]cyclohexanecarboxamide
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4CCCCC4)C#N
Compound: 2,3-bis(2-furanyl)-N-[4-(4-morpholinyl)phenyl]-6-quinoxalinecarboxamide
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CO5)C6=CC=CO6
Compound: 2-[[4-amino-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
SMILES: C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC(F)F
Compound: 10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one
SMILES: CCCCCC1=CC2=C(C3=C(CN(CC3)C)C(=O)O2)C(=C1)O
Compound: N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-[(4-methyl-2-pyrimidinyl)amino]-3-oxoprop-1-en-2-yl]benzamide
SMILES: CC1=NC(=NC=C1)NC=C(C(=O)NN=CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3
Compound: 2-(2-methoxyphenyl)-1H-indole
SMILES: COC1=CC=CC=C1C2=CC3=CC=CC=C3N2
Compound: 3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: CC1=NN=C2N1N=C(C=C2)N3CCCC3
Compound: 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline
SMILES: CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3
Compound: 1-[1-(1,3-dioxo-2-indenylidene)ethyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(=C2C(=O)C3=CC=CC=C3C2=O)C
Compound: 4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide
SMILES: CCCN1N=C(N=N1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Compound: 2-[(2,4-dimethoxyphenyl)methylidene]-6-methylthiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILES: CC1=NN2C(=O)C(=CC3=C(C=C(C=C3)OC)OC)SC2=NC1=O
Compound: ethyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxycarbonylphenyl)-6-methyl-4,5-dihydrothieno[2,3-b]pyridine-5-carboxylate
SMILES: CCOC(=O)C1C(C2=C(N=C1C)SC(=C2N)C(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC
Compound: 1-(4-bromophenyl)-N-(3,4-dichlorophenyl)-5-oxo-3-pyrrolidinecarboxamide
SMILES: C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=C(C=C3)Cl)Cl
Compound: N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide
SMILES: C1CCC(=CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4
Compound: N-(1,3-benzodioxol-5-ylmethyl)-4-nitroaniline
SMILES: C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 3-ethyl-2-(2-phenylethenyl)-4-quinazolinone
SMILES: CCN1C(=NC2=CC=CC=C2C1=O)C=CC3=CC=CC=C3
Compound: 2-(4-methoxyphenyl)-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILES: COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C(=C4)OC)OC)OC
Compound: 5-bromo-N-[(2-pyridinylamino)-sulfanylidenemethyl]-3-pyridinecarboxamide
SMILES: C1=CC=NC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br
Compound: 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester
SMILES: CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=O)C
Compound: 4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC
Compound: [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-thiophen-2-ylmethanone
SMILES: COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CS3
Compound: N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
SMILES: CN1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC4=CC=CC=C4C=C3
Compound: 1-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]urea
SMILES: CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F
Compound: 1-[1-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone
SMILES: CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C)C
Compound: N-[(4-nitrophenyl)methylideneamino]-2-(10-phenothiazinyl)acetamide
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]
Compound: 3-[2-(3-methylphenoxy)ethyl]-1,3-benzothiazol-2-one
SMILES: CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3SC2=O
Compound: 4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide
SMILES: CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC
Compound: 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester
SMILES: CC1CCC(CC1)OC(=O)C2=C(C3=C(N2)CCCC3=O)C
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,2-bis(trifluoromethyl)butanamide
SMILES: CCC(C(=O)NC1=NN=C(S1)SCC)(C(F)(F)F)C(F)(F)F
Compound: 2-[(3-bromo-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzothiazole
SMILES: C1=CC=C2C(=C1)N=C(S2)SCC3=C(N4C=CC=NC4=N3)Br
Compound: 2-(3-indolylidene)-4-(4-methylphenyl)-3H-thiazole
SMILES: CC1=CC=C(C=C1)C2=CSC(=C3C=NC4=CC=CC=C43)N2
Compound: 8-[(1-tert-butyl-5-tetrazolyl)-thiomorpholin-4-ylmethyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC3=CC4=C(C=C3NC2=O)OCCO4)N5CCSCC5
Compound: 2-oxo-N-(2-thiazolyl)-1H-pyridine-3-carboxamide
SMILES: C1=CNC(=O)C(=C1)C(=O)NC2=NC=CS2
Compound: 3-methylbenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester
SMILES: CC1=CC=CC(=C1)C(=O)ON=C2CCCC3=CC=CC=C32
Compound: 2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
SMILES: CC(=NNC(=O)CC1=CC=C(C=C1)F)C2=CC=C(C=C2)F
Compound: 2-(4-fluorophenyl)-1-indolizinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C2C=CC=CN2C=C1C3=CC=C(C=C3)F
Compound: 4-bromo-N-[3-oxo-3-(2-thiazolylamino)propyl]benzamide
SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)NC2=NC=CS2)Br
Compound: 1-[2-(4-morpholinyl)-2-oxoethyl]-2-pyrido[2,3-b][1,4]thiazinone
SMILES: C1COCCN1C(=O)CN2C(=O)CSC3=C2C=CC=N3
Compound: 2-(2-methoxyethyl)-7-[oxo-(4-propyl-1-piperazinyl)methyl]-3H-isoindol-1-one
SMILES: CCCN1CCN(CC1)C(=O)C2=C3C(=CC=C2)CN(C3=O)CCOC
Compound: N'-[(2-chlorophenyl)-oxomethyl]-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC3=C(N2)C=CC(=C3)OC(F)(F)F)Cl
Compound: 5-(3,5-dimethyl-1-piperidinyl)-2-(2-furanyl)-4-oxazolecarbonitrile
SMILES: CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=CO3)C#N)C
Compound: N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide
SMILES: CC(C)C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)OC
Compound: N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILES: COC1=CC=C(C=C1)NC2=NC3(CCCCC3)N=C(N2)N
Compound: 2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-N-(4-thiophen-2-yl-2-thiazolyl)-2-propenamide
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=NC(=CS3)C4=CC=CS4)[N+](=O)[O-]
Compound: N-[[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=C(C=C2)O)OC)CN3CCN(CC3)C4=CC=C(C=C4)F
Compound: 3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
SMILES: CC1=NC2=C(C(=NN2C(=C1)N3CCN(CC3)CC4=CC=CC=C4)C)C5=CC=CC=C5OC
Compound: 2-[[1-oxo-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F
Compound: N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide
SMILES: CCN(CC)CCNC(=S)NC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3
Compound: 4-(1,3-benzodioxol-5-ylhydrazinylidene)-5-imino-1-phenyl-3-pyrazolamine
SMILES: C1OC2=C(O1)C=C(C=C2)NN=C3C(=NN(C3=N)C4=CC=CC=C4)N
Compound: 5,5-dimethyl-2-[3-(4-methylanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione
SMILES: CC1=CC=C(C=C1)NC=CC(=O)C2C(=O)CC(CC2=O)(C)C
Compound: 2-[[4-(dimethylamino)phenyl]methylidene]-1-cyclohexanone
SMILES: CN(C)C1=CC=C(C=C1)C=C2CCCCC2=O
Compound: 5-chloro-4-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILES: CC1=C(SC=C1)C=NNC2=C(C(=O)NN=C2)Cl
Compound: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC4=CC=CC=C43
Compound: 2-(2,5-dioxo-4-imidazolidinyl)-N-(1-naphthalenyl)acetamide
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)CC3C(=O)NC(=O)N3
Compound: LSM-32014
SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=CC(=C(C=C3)F)C=CC4=CC=CC=C4)CC5=CC=CC=C5
Compound: 2-[2-fluoro-5-(4-methyl-1-piperazinyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3
Compound: 2-bromo-N-[2,3-dihydroindol-1-yl(sulfanylidene)methyl]benzamide
SMILES: C1CN(C2=CC=CC=C21)C(=S)NC(=O)C3=CC=CC=C3Br
Compound: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILES: CCN1C(=O)C=C(NC1=O)N2CCC3(CC2)OCCO3
Compound: N-[(4,5-dibromo-2-furanyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC(=C(O3)Br)Br
Compound: LSM-32019
SMILES: COC1=CC(=C(C=C1)OC)N=CC2C(=O)OC3(CCCCC3)OC2=O
Compound: 2-naphthalenesulfonic acid [2-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC=C3C=C4C(=O)N=C(S4)N
Compound: 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)C
Compound: N-[[6-[2-[acetyl(methyl)amino]ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylideneamino]-2-hydroxybenzamide
SMILES: CC(=O)N(C)CCC1=CC2=C(C(=C1C=NNC(=O)C3=CC=CC=C3O)OC)OCO2
Compound: acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester
SMILES: CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2
Compound: 3-ethoxy-N-[(4-methoxyphenyl)methyl]-2-propyl-6-indazolecarboxamide
SMILES: CCCN1C(=C2C=CC(=CC2=N1)C(=O)NCC3=CC=C(C=C3)OC)OCC
Compound: 1-(2-benzofuranyl)-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethanone
SMILES: CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)C3=CC4=CC=CC=C4O3)C
Compound: 3-chloro-6-methoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
SMILES: CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)NCC2=CN=CC=C2)OC
Compound: 3,4-dimethoxy-N-[[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]benzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NN=CC2=C(N=C(S2)N3CCOCC3)C4=CC=CC=C4)OC
Compound: N-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=CC6=C(C=C5)OCCO6
Compound: (4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone
SMILES: CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4
Compound: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester
SMILES: COC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N
Compound: 3-(1-benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4
Compound: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]ethanone
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)CN(C)CC2=CC(=C(C=C2)OC(F)F)OC
Compound: 2-methyl-5-phenyl-3,5-dihydropyrazolo[1,5-c]quinazoline
SMILES: CC1=CC2=C3C=CC=CC3=NC(N2N1)C4=CC=CC=C4
Compound: 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=C(C=C2)OC(F)F
Compound: 5-[(6-hydroxy-4-oxo-1-benzopyran-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: C1=CC2=C(C=C1O)C(=O)C(=CO2)C=C3C(=O)NC(=O)NC3=O
Compound: 5-[(4-methyl-1-piperidinyl)methyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(N=N1)C2=NON=C2N3C=CC=C3)CN4CCC(CC4)C
Compound: 3-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)OCC
Compound: 4-methoxy-N-(3-pyridinylmethyl)benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NCC2=CN=CC=C2
Compound: N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
SMILES: C1=CC=C(C=C1)CNC2=NC(=CS2)C3=CN=CC=C3
Compound: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-5-(2-furanyl)-N-methyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CC1=NN(C=C1CN(C)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CO4)C(F)(F)F)C
Compound: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide
SMILES: CC1=NC(=C(C(=C1)COC)C#N)OCC(=O)NNC=C2C=CC=CC2=O
Compound: LSM-32042
SMILES: CCN(CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=CS2)C3=CC=CC=N3
Compound: 5'-deoxy-5'-fluoroadenosine
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O
Compound: 2-(5-amino-1-tetrazolyl)-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylideneamino]acetamide
SMILES: CCN1C(=C(C(=N1)C)C=NNC(=O)CN2C(=NN=N2)N)C
Compound: 2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamide
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl
Compound: 1,3-bis(3-chlorophenyl)urea
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl
Compound: 4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide
SMILES: CC(C)(C#C)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F
Compound: 2-[(2-methoxy-2-oxoethyl)thio]benzoic acid methyl ester
SMILES: COC(=O)CSC1=CC=CC=C1C(=O)OC
Compound: N-[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide
SMILES: CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Compound: 4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)N=NC2=C(N=C(N=C2N)N)N
Compound: 5,6-dimethyl-N-(3-pyridinylmethyl)-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=C(SC2=NC=NC(=C12)NCC3=CN=CC=C3)C
Compound: N-(1,3-benzodioxol-5-ylmethyl)-8-quinolinesulfonamide
SMILES: C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4
Compound: 2-(phenylmethylthio)-9-thiophen-2-yl-6,7,8a,9-tetrahydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILES: C1CC2=NC3=NC(=NN3C(C2C(=O)C1)C4=CC=CS4)SCC5=CC=CC=C5
Compound: 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline
SMILES: CC1=NC2=C(C=NN2C3=CC=CC=C3)C4=CC(=C(C=C14)OC)OC
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone
SMILES: C1CN(CCN1C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3
Compound: 3-chloro-N-[3-nitro-5-(2-pyridinylthio)phenyl]benzamide
SMILES: C1=CC=NC(=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)Cl
Compound: 2-bromo-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILES: CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC=CC=C3Br
Compound: LSM-32057
SMILES: C1C2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)SC5=C(C3C6=CC=C(C=C6)Cl)SC(=O)N5
Compound: 2-(6-cyano-1-indolyl)-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=O)CN2C=CC3=C2C=C(C=C3)C#N
Compound: N-heptadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
SMILES: C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Compound: 1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CC2=CC=CS2
Compound: 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
SMILES: CC(C(=O)NC1CCCCC1)OC(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N
Compound: 1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone
SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]
Compound: N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C3CC3
Compound: 1-butyl-3-[[2-furanyl(oxo)methyl]amino]thiourea
SMILES: CCCCNC(=S)NNC(=O)C1=CC=CO1
Compound: N-[4-(2-pyrimidinylsulfamoyl)phenyl]carbamic acid methyl ester
SMILES: COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
Compound: 1-(2-phenylethyl)-3-[(4-propylcyclohexylidene)amino]thiourea
SMILES: CCCC1CC/C(=N\NC(=S)NCCC2=CC=CC=C2)/CC1
Compound: 2,4-dinitro-N-[[2-(2-pyridinyl)cyclohexylidene]amino]aniline
SMILES: C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(C1)C3=CC=CC=N3
Compound: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
SMILES: CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C(C)C)C(=O)NC(=O)N
Compound: 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN(C)CC3=CC=CC=C3Cl
Compound: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
SMILES: CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2
Compound: 2-[5-(2-aminophenyl)-2-tetrazolyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4N
Compound: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NN2
Compound: 1-[4-(difluoromethylthio)phenyl]-3-(phenylmethyl)thiourea
SMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)SC(F)F
Compound: LSM-32074
SMILES: COC1=CC2=C(C=C1)NC3=C2NC(=[N+](C3=O)CC4=CC=C(C=C4)C(=O)N5CCCC5)S
Compound: 5-(4-bromophenyl)-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br
Compound: 1-(2-benzofuranyl)-3-(4-morpholinyl)-2-propen-1-one
SMILES: C1COCCN1C=CC(=O)C2=CC3=CC=CC=C3O2
Compound: (2-bromophenyl)thiourea
SMILES: C1=CC=C(C(=C1)NC(=S)N)Br
Compound: 4-methoxy-N-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-3-piperidinyl]methyl]benzenesulfonamide
SMILES: CC1=C(SC=C1)C(=O)N2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC
Compound: 7-[4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5
Compound: 3-pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester
SMILES: CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CN=CC=C3)[O-]
Compound: 1-bromo-3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,3-a]carbazol-10-yl)-2-propanol
SMILES: CC1(CC2=C(C=NN2C3=CC=CC=C3)C4=C1C5=CC=CC=C5N4CC(CBr)O)C
Compound: 5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-2-furancarboxamide
SMILES: CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl
Compound: 3-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(2-chlorophenyl)propanoic acid ethyl ester
SMILES: CCOC(=O)CC(C1=CC=CC=C1Cl)NC2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4
Compound: N-[(2-methylphenyl)methylideneamino]-4-thiadiazolecarboxamide
SMILES: CC1=CC=CC=C1C=NNC(=O)C2=CSN=N2
Compound: N-cyclohexyl-2,3-dihydroindole-1-carboxamide
SMILES: C1CCC(CC1)NC(=O)N2CCC3=CC=CC=C32
Compound: N-[[3-[(2-chlorophenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]methylideneamino]carbamic acid methyl ester
SMILES: COC(=O)NN=CC1=CC(=NNC2=CC=CC=C2Cl)C=CC1=O
Compound: 2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N)Cl
Compound: 1-(4-bromo-3-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
SMILES: CCOC1=C(C=CC(=C1)S(=O)(=O)N2C(=CC(=N2)C)C)Br
Compound: 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILES: CC(C)C1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N
Compound: 2-[(3,6-dimethyl-2-quinolinyl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=C(C=C4C=C(C=CC4=N3)C)C
Compound: 4-methoxybenzoic acid [2-(4-bromophenyl)-4-oxo-3-quinazolinyl] ester
SMILES: COC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Br
Compound: 1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolecarbonitrile
SMILES: CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C#N
Compound: N'-[1-[(cyclohexylamino)-oxomethyl]cyclopentyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide
SMILES: CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2)C3(CCCC3)C(=O)NC4CCCCC4
Compound: N-(2-chlorophenyl)-5-(2-pyridinyl)-2-thiophenecarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(S2)C3=CC=CC=N3)Cl
Compound: N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide
SMILES: CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C
Compound: 1-(2-methoxyethyl)-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILES: COCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C(=O)NC1=O
Compound: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone
SMILES: CCC(C1=CC=CC=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
Compound: 1-(3,4-dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone
SMILES: CCOC1=CC=C(C=C1)NC2=NC(=CS2)CC3=NN=C(O3)SCC(=O)C4=CC(=C(C=C4)C)C
Compound: 5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine
SMILES: CC1=CC2=C(C=C1)OC(=N2)NC3=NC(=C(C(=N3)C)C)C
Compound: N-[amino-[(5-methyl-1,3-benzoxazol-2-yl)imino]methyl]acetamide
SMILES: CC1=CC2=C(C=C1)OC(=N2)N=C(N)NC(=O)C
Compound: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILES: C1CCC2=C(C1)C=C(S2)C(=O)N3CCC4(CC3)OCCO4
Compound: 1-[1,3-dimethyl-2-oxo-5-[[oxo(propylamino)methyl]amino]-4-imidazolidinyl]-3-propylurea
SMILES: CCCNC(=O)NC1C(N(C(=O)N1C)C)NC(=O)NCCC
Compound: LSM-32103
SMILES: COC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5)OC
Compound: 3-(1H-benzimidazol-2-yl)-N-(3-pyridinylmethyl)aniline
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NCC4=CN=CC=C4
Compound: 2-(1-ethoxycarbonyl-4-piperidinyl)-1,3-dioxo-5-isoindolecarboxylic acid
SMILES: CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
Compound: 3-(3,4-dimethylanilino)-1-thiophen-2-yl-1-propanone
SMILES: CC1=C(C=C(C=C1)NCCC(=O)C2=CC=CS2)C
Compound: 3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea
SMILES: CCOCCCNC(=S)N(CC1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2
Compound: 6,8-dibromo-7-hydroxy-10a-(4-morpholinyl)-3,4,5,5a-tetrahydro-2H-benzofuro[2,3-c]azepin-1-one
SMILES: C1CC2C3=C(C(=C(C=C3OC2(C(=O)NC1)N4CCOCC4)Br)O)Br
Compound: 1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-tetrazolamine
SMILES: COC1=C(C=CC(=C1)C=NN2C(=NN=N2)N)OCC3=CC=C(C=C3)F
Compound: 6-amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)C3=CC=CC=C3
Compound: 1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one
SMILES: CC1=CC=C(C=C1)CN2CCCNC2=O
Compound: N-[(4-methylphenyl)methylideneamino]-2-(1-methyl-2-pyrrolyl)acetamide
SMILES: CC1=CC=C(C=C1)C=NNC(=O)CC2=CC=CN2C
Compound: 8-chloro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=C(C=C3)OC
Compound: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide
SMILES: CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCN(CC(C)C)CC(C)C
Compound: N-(3-methoxypropyl)-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)acetamide
SMILES: COCCCNC(=O)CN1C2=C(C=N1)C(=O)OC3=CC=CC=C32
Compound: 6-acetyl-5-(2-methoxyphenyl)-7-methyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-thiazolo[3,2-a]pyrimidin-3-one
SMILES: CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=N1)C4=CC=CC=C4OC)C(=O)C
Compound: 5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILES: CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)N(C(=O)N3)C4=CC=CC=C4
Compound: (2S)-4-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid methyl ester
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)NC1CCCC2=CC=CC=C12
Compound: N-[[1-[3-(4-methylphenoxy)propyl]-3-indolyl]methylideneamino]carbamic acid ethyl ester
SMILES: CCOC(=O)NN=CC1=CN(C2=CC=CC=C21)CCCOC3=CC=C(C=C3)C
Compound: 7-hexyl-3-methyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione
SMILES: CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C
Compound: 3-chloro-6-ethyl-N'-(3-indolylidenemethyl)-1-benzothiophene-2-carbohydrazide
SMILES: CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC=C3C=NC4=CC=CC=C43)Cl
Compound: 1,3-benzodioxole-5-carboxylic acid [[amino-(3-nitrophenyl)methylidene]amino] ester
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N
Compound: 4-[(1,2-dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CCC(=O)O
Compound: 2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester
SMILES: CCOC(=O)C(=NNC1=C(C=CC(=C1)Cl)OC)C#N
Compound: 4-acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)OC2CC3CCC2(C3(C)C)C)OC
Compound: LSM-32126
SMILES: CC1=NN(C(=O)C1=CNN2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O)C6=CC=CC=C6
Compound: 4-(4-methoxyphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarboxamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CC=C3
Compound: 2-(1H-benzimidazol-2-yl)-3-[2,4-bis(4-morpholinyl)-5-nitrophenyl]-2-propenenitrile
SMILES: C1COCCN1C2=CC(=C(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-])N5CCOCC5
Compound: 1-cyclohexyl-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea
SMILES: C1CCC(CC1)NC(=S)NNC(=O)C2=CC=CS2
Compound: 2,4-dibromo-6-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1COC2=C(O1)C=CC(=C2)NC=C3C=C(C=C(C3=O)Br)Br
Compound: N-[(4-pyrimidinylthio)methyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NCSC2=NC=NC=C2
Compound: 1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
SMILES: CC1=CC(=NC(=N1)N(CC(=O)N2CCC(CC2)C(=O)N)C#N)C
Compound: LSM-32133
SMILES: CN(C)CCN1C(C(C(=O)C1=O)C(=O)C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)OC
Compound: 2-[[1-oxo-2-[4-oxo-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-5-thiazolyl]ethyl]amino]acetic acid
SMILES: C1=CC(=CNNC2=NC(=O)C(S2)CC(=O)NCC(=O)O)C(=O)C=C1
Compound: 2-[2-[2-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid
SMILES: C1=CC(=C(C=C1C2=CC=C(O2)C=NNC3=NC(=O)C(S3)CC(=O)O)[N+](=O)[O-])Cl
Compound: 3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester
SMILES: CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32
Compound: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILES: CC1CC2=CC=CC=C2N1C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54
Compound: [[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
SMILES: CCOC(=S)SCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)Br
Compound: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
Compound: N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-2-pyrimidinamine
SMILES: CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=CC=C3Cl)C
Compound: 4-(1,3-dioxo-2-isoindolyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILES: COC1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O
Compound: 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)F
Compound: LSM-32143
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C3=[NH+]C=NC4=C3NC5=CC=CC=C54
Compound: 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: C1=CC(=CC=C1OCC(=O)NC2=NN=C(S2)C3=CC=NC=C3)F
Compound: 4'-(1-benzofuran-2-carbonyl)-1-ethyl-1'-(3-morpholin-4-ylpropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
SMILES: CCN1C2=CC=CC=C2C3(C1=O)C(C(=O)C(=O)N3CCCN4CCOCC4)C(=O)C5=CC6=CC=CC=C6O5
Compound: 3-methyl-4,7-bis(methylsulfonyl)-3a,5,6,7a-tetrahydro-1H-imidazo[4,5-b]pyrazin-2-one
SMILES: CN1C2C(NC1=O)N(CCN2S(=O)(=O)C)S(=O)(=O)C
Compound: LSM-32147
SMILES: CC1=CC(=NC2=C3C=C4CCCCC4=NC3=NN12)C
Compound: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile
SMILES: COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3F)C#N)OC
Compound: 1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
SMILES: COC1=CC=CC(=C1)NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N
Compound: 1-[(2,4-dichlorophenyl)methyl]-3-(2-phenylethenyl)urea
SMILES: C1=CC=C(C=C1)C=CNC(=O)NCC2=C(C=C(C=C2)Cl)Cl
Compound: 3-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
SMILES: CC1=C(NC2=C1C=C(C=C2)C3=NNC(=S)N3C)C
Compound: 5,10-methylenetetrahydrofolate(2-)
SMILES: Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
Compound: N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
SMILES: CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)OC
Compound: LSM-32153
SMILES: CC1=C2C(=NC(=[NH+]2)C3=C(C=CC(=C3)OC)OC)C(=O)NN1
Compound: 1-(2,4-dichlorophenyl)-3-[3-(1-imidazolyl)propyl]urea
SMILES: C1=CC(=C(C=C1Cl)Cl)NC(=O)NCCCN2C=CN=C2
Compound: [4-[4-(methoxyiminomethyl)-2-nitrophenyl]-1-piperazinyl]-(4-methylphenyl)methanone
SMILES: CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=NOC)[N+](=O)[O-]
Compound: 4-(4-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3
Compound: 4-(4-phenylmethoxyphenyl)-3-buten-2-one oxime
SMILES: CC(=NO)C=CC1=CC=C(C=C1)OCC2=CC=CC=C2
Compound: 1-(4-methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)S(=O)(=O)C
Compound: 2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone
SMILES: CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CCl
Compound: 3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehyde
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C=O
Compound: 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=CC(=C4)C(F)(F)F
Compound: N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide
SMILES: COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=CC=CC=C5S4
Compound: 2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide
SMILES: COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4
Compound: 2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide
SMILES: CCOCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N)N
Compound: 1-(ethylamino)-3-[3-(ethylamino)-2-hydroxypropoxy]-2-propanol
SMILES: CCNCC(COCC(CNCC)O)O
Compound: 3-(4-bromophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
SMILES: C1N=C(NC(=S)N1C2=CC=C(C=C2)Br)C3=CC=CC=C3
Compound: 3-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)methylideneamino]propanamide
SMILES: COC1=CC=C(C=C1)C=NNC(=O)CCSC2=NC3=CC=CC=C3S2
Compound: 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine
SMILES: C1CC(OC1)CNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]
Compound: 4-methoxy-N-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F
Compound: 3-(4-bromophenyl)-N-[5-[[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)anilino]-oxomethyl]-2-methylphenyl]-1H-pyrazole-5-carboxamide
SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC(=NN4)C5=CC=C(C=C5)Br)C(F)(F)F
Compound: [(5,7-dibromo-2-oxo-3-indolyl)amino]thiourea
SMILES: C1=C(C=C(C2=NC(=O)C(=C21)NNC(=S)N)Br)Br
Compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamide
SMILES: C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4COC5=CC=CC=C5O4
Compound: 9-phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILES: C1CCC2=C(C1)C(N3C(=N2)N=CN3)C4=CC=CC=C4
Compound: 2-amino-6-[(4-methoxyanilino)methylidene]-7-oxo-4-phenyl-4H-1-benzopyran-3-carbonitrile
SMILES: COC1=CC=C(C=C1)NC=C2C=C3C(C(=C(OC3=CC2=O)N)C#N)C4=CC=CC=C4
Compound: 3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide
SMILES: CC1=CC=C(S1)C2=NN=C(O2)CCC(=O)NCC(C)OC3=CN=CC=C3
Compound: 3-[5-(2-furanyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4
Compound: 3-(1,5-dimethyl-4-pyrazolyl)-1-phenyl-2-propen-1-one
SMILES: CC1=C(C=NN1C)C=CC(=O)C2=CC=CC=C2
Compound: benzoic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3
Compound: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=NN3C4CCCCC4
Compound: 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC)C
Compound: 2-(6-imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CC3=CN4C=CSC4=N3
Compound: 2-furancarboxylic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester
SMILES: CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(=O)C4=CC=CO4
Compound: 2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
SMILES: CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCC3)NC1=O
Compound: 1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea
SMILES: C1CCC(C1)N(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)NCC4=CC=CC=C4
Compound: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILES: CC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)OC)C=C3C#N
Compound: N-[(2R,4S)-2-methyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILES: CCC(=O)N1[C@@H](C[C@@H](C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C)C
Compound: 1-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-phenylurea
SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)Cl
Compound: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
SMILES: C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
Compound: 4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC(=CC=C3)OC
Compound: 2-[(4-nitrophenyl)methylthio]-N-(3-pyridinylmethylideneamino)acetamide
SMILES: C1=CC(=CN=C1)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 4-(3-hydroxyphenyl)-1-(2-oxolanylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)O)C(=O)OC)CC3CCCO3
Compound: 2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone
SMILES: CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3
Compound: spiro[1,3-dihydroperimidine-2,1'-cycloheptane]
SMILES: C1CCCC2(CC1)NC3=CC=CC4=C3C(=CC=C4)N2
Compound: N-(4-methoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CC=CO5
Compound: 2-(dimethylsulfamoylamino)-9H-fluorene
SMILES: CN(C)S(=O)(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
Compound: N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CO
Compound: 1-ethyl-3-[(1-oxo-2,2-diphenylethyl)amino]thiourea
SMILES: CCNC(=S)NNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
Compound: 2-methoxy-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILES: CN(C1=NN=C(S1)C2=CC=CC=N2)C(=O)COC
Compound: 6-(3,4-dimethoxyphenyl)-4-methoxy-1,3-dimethyl-8-cyclohepta[c]furanone
SMILES: CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)OC)OC)OC
Compound: 8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
SMILES: CC1CCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3
Compound: N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
SMILES: CC1=CC=C(S1)C(=O)NCCC2=CC=C(C=C2)F
Compound: 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILES: COC1=C(C=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O)OC
Compound: 1-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-2,3-dihydroindole-5-sulfonamide
SMILES: CCN(CCCNS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)C3=CC=CC(=C3)C
Compound: 6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC5=C(C=C4)OCCO5
Compound: 6-methyl-3-[(3-methylanilino)methylidene]pyran-2,4-dione
SMILES: CC1=CC(=CC=C1)NC=C2C(=O)C=C(OC2=O)C
Compound: 3-[(3-hydroxy-5-benzotriazolyl)sulfonylamino]benzoic acid
SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=NN3O)C(=O)O
Compound: 7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILES: COCC1=CC(=O)N2C(=NNC2=N1)C3=CC=CC=C3OC
Compound: 2,4-dithiophen-2-ylthiazole
SMILES: C1=CSC(=C1)C2=CSC(=N2)C3=CC=CS3
Compound: N-[2,2,2-trichloro-1-[[(2,6-dichloroanilino)-sulfanylidenemethyl]amino]ethyl]carbamic acid (phenylmethyl) ester
SMILES: C1=CC=C(C=C1)COC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC=C2Cl)Cl
Compound: 4-(benzenesulfonyl)-5-(ethylthio)-2-phenyloxazole
SMILES: CCSC1=C(N=C(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
Compound: 2,6-dimethyl-4-(2-phenylethenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C=CC2=CC=CC=C2
Compound: N-(3-ethylphenyl)-2-phenoxyacetamide
SMILES: CCC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2
Compound: 2-[(1-acetyl-3-indolyl)amino]benzoic acid
SMILES: CC(=O)N1C=C(C2=CC=CC=C21)NC3=CC=CC=C3C(=O)O
Compound: N-[2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC3=CC=CC=C3Cl
Compound: N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-2-furancarboxamide
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3=CC=CC=C3)C(=O)C4=CC=CO4
Compound: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester
SMILES: CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C
Compound: 7-(diethylamino)-1-benzopyran-2-one
SMILES: CCN(CC)C1=CC2=C(C=C1)C=CC(=O)O2
Compound: 2-chloro-N-[[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]methylideneamino]benzamide
SMILES: C1COCCN1C2=NC(=C(S2)C=NNC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4
Compound: 4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester
SMILES: C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1
Compound: 1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone
SMILES: CC1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C
Compound: 4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
SMILES: C1CC(=CC2=CC=CC=C2F)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4F
Compound: N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)CCCC3=CC=C(C=C3)OC)C
Compound: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(2-pyrimidinylthio)acetamide
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3
Compound: N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
SMILES: C1CCC(CC1)NC(=O)C2=NOC3=C2CCCCC3
Compound: 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC(=CC=C1)OCC2=NNC(=S)N2C3CCCCC3
Compound: 4-morpholinyl-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
SMILES: C1COCCN1C(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4
Compound: N-(3-methoxyphenyl)-3-(4-nitrophenyl)-2-propenamide
SMILES: COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 4-[2-[1-[4-(2-furanylmethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
SMILES: CC(=NNC1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3
Compound: 7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrile
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Compound: 4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3
Compound: 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)NCCC3=CC=CC=C3)C=C(S2)C
Compound: 3-ethyl-5-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CCN1C(=O)C(=CC2=CC3=CC=CC=C3OC2C)SC1=S
Compound: [3-(1-methyl-2-pyrrolyl)-1H-pyrazol-5-yl]-[1-(2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
SMILES: CN1C=CC=C1C2=NNC(=C2)C(=O)N3CCC4=C(C3C5=CC=CC=N5)NC6=CC=CC=C46
Compound: N-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2O)[N+](=O)[O-]
Compound: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
SMILES: CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC
Compound: 7,8-dichloropyrido[1,2-a]benzimidazole
SMILES: C1=CC2=NC3=CC(=C(C=C3N2C=C1)Cl)Cl
Compound: N-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl]-N-(4-methoxyphenyl)-2-thiophenecarboxamide
SMILES: COC1=CC=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5
Compound: 3-chloro-N-[(2-nitrophenyl)methylideneamino]-2-pyrazinamine
SMILES: C1=CC=C(C(=C1)C=NNC2=NC=CN=C2Cl)[N+](=O)[O-]
Compound: 3-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinylmethylideneamino)benzamide
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN=CC3=CN=CC=C3
Compound: 1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 8-[(1-cyclohexyl-5-tetrazolyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILES: C1CCC(CC1)N2C(=NN=N2)CN3C4CCC3CC(C4)(C5=CC=C(C=C5)F)O
Compound: 4-tert-butyl-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3
Compound: 3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-phenylethyl)pyrrole-2,5-dione
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)OC
Compound: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-piperidinecarboxamide
SMILES: CCC1=C(N2C(=NC=N2)N=C1C)N3CCCC(C3)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILES: CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCC5(CC4)OCCO5
Compound: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C
Compound: 3-[1-(2-furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid
SMILES: C1=CC=C(C=C1)C2=CC=C(N2CC3=CC=CO3)CCC(=O)O
Compound: 4-[[[4-(2-furanyl)-2-(3-pyridinylimino)-3-thiazolyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
SMILES: C1=CC(=CN=C1)N=C2N(C(=CS2)C3=CC=CO3)NC=C4C=CC(=O)C=C4O
Compound: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-oxolanecarboxamide
SMILES: C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3CCCO3
Compound: 2-thiophen-2-ylacetic acid [[amino-(4-nitrophenyl)methylidene]amino] ester
SMILES: C1=CSC(=C1)CC(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N
Compound: 3-(3-methoxyphenyl)-N-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3=CN=CC=C3
Compound: LSM-32254
SMILES: CCCCC1C2C(=NC(=C1C#N)C)CC(CC2=O)(C)C
Compound: 2-(4-chlorophenyl)-5-[ethoxy(hydroxy)methylidene]-4-thiazolone
SMILES: CCOC(=C1C(=O)N=C(S1)C2=CC=C(C=C2)Cl)O
Compound: N-(3-pyridinylmethylideneamino)-2-pyridinamine
SMILES: C1=CC=NC(=C1)NN=CC2=CN=CC=C2
Compound: 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
SMILES: CC1=C(C(=CC=C1)C)N2C(=NN=N2)S(=O)(=O)CC3=CC=CC=C3Cl
Compound: 3-(3-hydroxypropylamino)-7-methyl-1-(pentylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: CCCCCNC1=C2CN(CCC2=C(C(=N1)NCCCO)C#N)C
Compound: 2-chloro-5-(2-cinnamylidenehydrazinyl)benzoic acid
SMILES: C1=CC=C(C=C1)C=CC=NNC2=CC(=C(C=C2)Cl)C(=O)O
Compound: [[1-(2-chloroethyl)-2-oxo-3-indolylidene]amino]thiourea
SMILES: C1=CC=C2C(=C1)C(=NNC(=S)N)C(=O)N2CCCl
Compound: 2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide
SMILES: COCCN1C(=CN=C1SCC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)Cl
Compound: (5R)-5-tert-butyl-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-2-azepanone
SMILES: CC(C)(C)[C@@H]1CCC(=O)N(CC1)CC[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3
Compound: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-ethylurea
SMILES: CCCCNC(=O)N(CC)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N
Compound: N-(3-fluoro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)F
Compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
Compound: 6-chloro-3-(4-methyl-2-oxopentyl)-1,4-benzoxazin-2-one
SMILES: CC(C)CC(=O)CC1=NC2=C(C=CC(=C2)Cl)OC1=O
Compound: 3-[5-(5-chloro-2-methylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid
SMILES: CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=C(C(=O)O)SC3=NNC(=N3)C
Compound: 2-ethyl-3-methoxy-N-(2-thiophen-2-ylethyl)-6-indazolecarboxamide
SMILES: CCN1C(=C2C=CC(=CC2=N1)C(=O)NCCC3=CC=CS3)OC
Compound: 3-[1-hydroxy-3-(3-nitrophenyl)prop-2-enylidene]-6-methylpyran-2,4-dione
SMILES: CC1=CC(=O)C(=C(C=CC2=CC(=CC=C2)[N+](=O)[O-])O)C(=O)O1
Compound: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-propan-2-ylamino]-2-(2,5-dimethoxyphenyl)-N-(2-furanylmethyl)acetamide
SMILES: CC(C)N(C(C1=C(C=CC(=C1)OC)OC)C(=O)NCC2=CC=CO2)C(=O)CN3C4=CC=CC=C4N=N3
Compound: 3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILES: CC1=CC(=C(C=C1)C)NCC2=CC3=C(C=CC(=C3)OC)NC2=O
Compound: 2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
SMILES: CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3N4CCOCC4
Compound: 1-(2-fluorophenyl)-3-[[1-[(2-methylphenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
SMILES: CC1=CC=CC=C1CN2C3=CC=CC=C3C(=NNC(=S)NC4=CC=CC=C4F)C2=O
Compound: 4-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=NNC3=S)C4=CC=NC=C4)C5=CC=CC=C5
Compound: N-[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(4-chlorophenyl)acetamide
SMILES: C1CN(CCN1C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl)Cl)C(=O)C4=CC=CO4
Compound: 1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid
SMILES: C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)N4CCC(CC4)C(=O)O
Compound: N-(6-methyl-2-pyridinyl)-2-(phenylmethyl)sulfonylacetamide
SMILES: CC1=NC(=CC=C1)NC(=O)CS(=O)(=O)CC2=CC=CC=C2