MonarchInit/C3PO huggingface dataset:
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[[3,4-dioxo-2-(1-pyrrolidinyl)-1-cyclobutenyl]amino]methyl]-1-cyclohexanecarboxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2CCC(CC2)CNC3=C(C(=O)C3=O)N4CCCC4)OC
Compound: 3-[(2-oxo-1-benzopyran-4-yl)thio]-2-butenoic acid ethyl ester
SMILES: CCOC(=O)C=C(C)SC1=CC(=O)OC2=CC=CC=C21
Compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide
SMILES: CC1=C(C(=NC2=CC(=NN12)C3=CC(=CC(=C3)OC)OC)C)CCC(=O)NCC4=CC=CC=C4
Compound: 2-(4-methylphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNN4C=NN=C4)C2=O
Compound: 6-[mercapto(1-piperidinyl)methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1CCN(CC1)C(=C2C=CC=CC2=O)S
Compound: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
SMILES: C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
Compound: 6-chloro-4-phenyl-3-(1-phenyl-5-tetrazolyl)quinoline
SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC=C2C4=NN=NN4C5=CC=CC=C5)Cl
Compound: 2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2CC(=O)N=C(S2)N
Compound: 5-[(3,4-dimethoxyphenyl)methylidene]-3-(phenylmethyl)-2-(phenylmethyl)imino-4-thiazolidinone
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)N(C(=NCC3=CC=CC=C3)S2)CC4=CC=CC=C4)OC
Compound: 4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]methyl]benzoic acid
SMILES: C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]
Compound: N-[3-chloro-2-(4-morpholinyl)phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILES: COC1=C(C(=C(C(=C1F)F)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)F)F
Compound: 2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
SMILES: CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCCC5=CC=CC=C5)C=C1
Compound: (5R)-3'-phenyl-1-(phenylmethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILES: C1CN2C(CN1C3=CC=CC=C3)[C@]4(CC5=CC=CC=C52)C(=O)NC(=O)N(C4=O)CC6=CC=CC=C6
Compound: 2-(4-chlorophenyl)-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]acetamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4
Compound: 1-(2-nitrophenyl)-N-(4-phenyl-1-piperazinyl)methanimine
SMILES: C1CN(CCN1C2=CC=CC=C2)N=CC3=CC=CC=C3[N+](=O)[O-]
Compound: 1-(4-hydroxyphenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
SMILES: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=C(C=C1)O
Compound: LSM-32980
SMILES: C1C2=C(C3=CC=CC=C3O1)N=C4N=CNN4C2C5=CC=CS5
Compound: 1-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)ethylamino]-3-phenylthiourea
SMILES: CC(=C1C(=O)N(C(=O)N(C1=O)C)C)NNC(=S)NC2=CC=CC=C2
Compound: N-[2-[oxo-(2-phenoxyethylamino)methyl]phenyl]-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=CC=CC=C2C(=O)NCCOC3=CC=CC=C3
Compound: 5-oxohexanoate
SMILES: CC(=O)CCCC([O-])=O
Compound: 3-hexyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CCCCCCN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
Compound: 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one
SMILES: C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl)O
Compound: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-ethoxy-3-pyridinecarboxamide
SMILES: CCOC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4
Compound: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione
SMILES: CC1=CC=CC=C1OCC(CN2C3=C(N=C2SC(C)C)N(C(=O)NC3=O)C)O
Compound: 2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
SMILES: COCCCN1C(=NN=C1SCC(=O)OC)CC2=CSC(=N2)NC3=CC(=CC=C3)Cl
Compound: 5-(4-methoxyphenyl)-N-[(5-methyl-2-phenyl-4-triazolyl)methyl]-4-oxazolecarboxamide
SMILES: CC1=NN(N=C1CNC(=O)C2=C(OC=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4
Compound: 8-quinolinecarboxylic acid phenyl ester
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC3=C2N=CC=C3
Compound: [[5-[4-(difluoromethylthio)phenyl]-2-furanyl]methylideneamino]thiourea
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=S)N)SC(F)F
Compound: LSM-32991
SMILES: CC1=NC2=C(C(=C1)C(F)(F)F)C3=C(S2)C(=CC(=O)N3)O
Compound: 1,3-dimethyl-5-[1-(1-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCC(=C1C(=O)N(C(=O)N(C1=O)C)C)NC(C)C2=CC=CC=C2
Compound: N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3
Compound: 2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-phenyl-1H-pyrimidin-4-one
SMILES: CN(C)C1=CC=C(C=C1)C=NNC2=NC(=O)C=C(N2)C3=CC=CC=C3
Compound: 3-[3-[(2-acetamido-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid
SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)N=C(S3)NC(=O)C
Compound: N-[3-(2-ethyl-1-piperidinyl)propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)oxy]acetamide
SMILES: CCC1CCCCN1CCCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C
Compound: 1-[3-[(2-methoxyphenyl)sulfamoyl]-4-(1-piperidinyl)phenyl]-3-(3-methylphenyl)urea
SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)NC4=CC=CC=C4OC
Compound: (3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one
SMILES: CC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)[C@H]3[C@@H]4C=CCC[C@]4(C(=O)N3CC5=CC=CC=C5)C)F
Compound: N-cyclopentyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide
SMILES: C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4
Compound: 6-bromo-N-(2-methylphenyl)-2-pyridin-4-yl-3-imidazo[1,2-a]pyridinamine
SMILES: CC1=CC=CC=C1NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=NC=C4
Compound: 3-(diethylamino)-6-[(2,2-diphenylhydrazinyl)methylidene]-1-cyclohexa-2,4-dienone
SMILES: CCN(CC)C1=CC(=O)C(=CNN(C2=CC=CC=C2)C3=CC=CC=C3)C=C1
Compound: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)oxy]acetamide
SMILES: CC1CC(CN(C1)CCCNC(=O)COC2=CC(=O)N(C3=CC=CC=C32)C)C
Compound: N-(4-acetylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCC3
Compound: 1-(8-quinolinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3
Compound: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(1,1-dioxo-3-thiolanyl)-N-ethylacetamide
SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN3C(=CC(=NC3=N2)C)C
Compound: 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-cyclohexanecarboxamide
SMILES: C1CC(C2=CC=CC=C2C1)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC5=NSN=C54
Compound: 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
SMILES: COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O
Compound: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamide
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)SCC(=O)NCC3=CC=CO3)C#N)C
Compound: 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3
Compound: 3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
SMILES: CCN1C(=O)C2=CC3=C(CCCC3)N=C2NC1=S
Compound: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanone
SMILES: C1CN(CCC12OCCO2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C6=CC=CC=C6
Compound: N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
SMILES: C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3O2)OC(F)F
Compound: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(2-methoxyphenyl)-2-methyl-1-benzopyran-4-one
SMILES: CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)CCO)C4=CC=CC=C4OC
Compound: LSM-33014
SMILES: CC1=C(C=CC(=C1)OCC(C)C)C(=O)C2C(N(C(=O)C2=O)CCCOC)C3=CN=CC=C3
Compound: 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline
SMILES: C1CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4
Compound: N-[[3-(2-furanyl)-2-methylprop-2-enylidene]amino]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide
SMILES: CC(=CC1=CC=CO1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3
Compound: N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamide
SMILES: CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)OCO3
Compound: (3R)-3-(2-fluoro-5-methylphenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: CC1=CC(=C(C=C1)F)[C@H]2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5
Compound: 4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide
SMILES: CC1CCCN(C1)CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl
Compound: N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C
Compound: LSM-33021
SMILES: CC1=CC=CC(=N1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OC
Compound: 4-fluorobenzoic acid [(4-tert-butylcyclohexylidene)amino] ester
SMILES: CC(C)(C)C1CC/C(=N\OC(=O)C2=CC=C(C=C2)F)/CC1
Compound: [(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-[5-[(4-chloro-2-methoxyphenoxy)methyl]-3-isoxazolyl]methanone
SMILES: COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)N3C[C@@H]4CCC[C@H]3C4
Compound: 1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC(=O)COC3=CC=CC=C3[N+](=O)[O-]
Compound: N-[1-(2-fluorophenyl)ethylideneamino]benzamide
SMILES: CC(=NNC(=O)C1=CC=CC=C1)C2=CC=CC=C2F
Compound: 3-(diethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCO3
Compound: 3-[[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCO)CC3=NN=NN3CC4=CC=C(C=C4)F
Compound: 4-cyclohexyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=C(C=C1)C2=NNC(=S)N2C3CCCCC3
Compound: 4-hydroxy-5-[oxo(thiophen-2-yl)methyl]-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILES: C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
Compound: 6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILES: CCC1=C(N=C2C=C(NN2C1=O)C3=CC=CS3)C
Compound: 5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILES: CCN1C(=CC(=C1C)C=C2C(=O)N(C(=O)N2)C3=CC=CC=C3)C
Compound: 3-(4-methoxyphenyl)-2-propenoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester
SMILES: COC1=CC=C(C=C1)C=CC(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2
Compound: 2-[3-(3,4-dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester
SMILES: COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4)OC
Compound: (5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
SMILES: CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)NN
Compound: 2-[[(4-ethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
SMILES: CCC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OC
Compound: N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4CC4
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-4-triazolecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4S3
Compound: N-[4-[[4-(4-acetamidoanilino)-6-(4-ethyl-1-piperazinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILES: CCN1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)NC(=O)C)NC4=CC=C(C=C4)NC(=O)C
Compound: 4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
SMILES: CC1=NOC(=C1)C2C(CC(=O)CC2=O)C3=CC=CC=C3
Compound: 1-(2-furanylmethyl)-3-(3-methoxyphenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
SMILES: CC1=C(C2=CC=CC=C2N1)CCN(CC3=CC=CO3)C(=S)NC4=CC(=CC=C4)OC
Compound: 1-(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-(3-nitrophenyl)urea
SMILES: CC(C)S(=O)(=O)C1=CSC(=C1Cl)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
Compound: 3-[(2,4-dichlorophenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)COC3=C(C=C(C=C3)Cl)Cl
Compound: 2-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: CN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl
Compound: 7-(2,4-dichlorophenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile
SMILES: C1CSC2=NC(=C(C(=O)N21)C#N)C3=C(C=C(C=C3)Cl)Cl
Compound: 4-butyl-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
SMILES: CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C
Compound: N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2)Cl
Compound: 7-methoxy-2-(3-methoxyanilino)-3-quinolinecarbonitrile
SMILES: COC1=CC2=C(C=C1)C=C(C(=N2)NC3=CC(=CC=C3)OC)C#N
Compound: 4-[[anilino-(4-methylphenyl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
SMILES: CCCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)C)NC3=CC=CC=C3
Compound: 2-[[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione
SMILES: C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O
Compound: 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-1,2,4-triazole
SMILES: C1CC2=C(C1)C=C(C=C2)OCCOCCN3C=NC=N3
Compound: 1-ethyl-5-(phenylmethyl)-1,3,5-triazinane-2-thione
SMILES: CCN1CN(CNC1=S)CC2=CC=CC=C2
Compound: 4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile
SMILES: C1COCCN1CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O
Compound: 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C54
Compound: 3-(1-azepanylsulfonyl)-N-(3-isoxazolyl)-4-methylbenzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)S(=O)(=O)N3CCCCCC3
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,3S,4R)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CSC6=CC=CC=C65)CCCO
Compound: N-[[3-(2-furanyl)-2-methylprop-2-enylidene]amino]-3-(2-naphthalenyl)-1H-pyrazole-5-carboxamide
SMILES: CC(=CC1=CC=CO1)C=NNC(=O)C2=CC(=NN2)C3=CC4=CC=CC=C4C=C3
Compound: LSM-33057
SMILES: C1CCC(CC1)N2C3C(CN4C3=NC5=CC=CC=C54)CO2
Compound: 3-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-3-butenamide
SMILES: COC1=CC=CC(=C1)C=C(CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=NC5=CC=CC=C5S4
Compound: N-(3,4-dichlorophenyl)-6-(1-imidazolyl)-3-pyridazinamine
SMILES: C1=CC(=C(C=C1NC2=NN=C(C=C2)N3C=CN=C3)Cl)Cl
Compound: 5-amino-1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2H-pyrrol-3-one
SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)CC4=CC=C(C=C4)Cl)N)OC
Compound: 2-[4-(4-nitrophenyl)-1-piperazinyl]-N-(2-pyridinyl)acetamide
SMILES: C1CN(CCN1CC(=O)NC2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 1-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-(3-fluoro-4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC4=CC(=O)N5C=C(C=CC5=N4)Cl)F
Compound: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide
SMILES: COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCC4=CC=CC=C4C3
Compound: 5-bromo-N-[[4-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br
Compound: N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide
SMILES: CC1=CC=C(O1)C(=O)NC2=CC3=C(C=C2)OCO3
Compound: 1-(3-ethoxypropyl)-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CO3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
SMILES: CC1=CC(=C2C=C(NN2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)C=C1
Compound: N-[6-(1-oxopentylamino)-3-pyridinyl]-3-pyridinecarboxamide
SMILES: CCCCC(=O)NC1=NC=C(C=C1)NC(=O)C2=CN=CC=C2
Compound: 5-[[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)NN=CC2=CC(=CC=C2)OC)C
Compound: 5-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-3-(3-fluorophenyl)-5-methyl-4H-isoxazole
SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC(=CC=C4)F)C
Compound: 4-[[[5-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Compound: 3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide
SMILES: CC1=C(C2=C(C=C1)C(=CC(=O)O2)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3)C
Compound: N-(2-methoxyphenyl)-5-methyl-3-(1-naphthalenylmethyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC
Compound: 2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
SMILES: CN(C)CC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4
Compound: 2-[(4-fluorophenyl)sulfonyl-(2-pyridinyl)amino]-N-phenylacetamide
SMILES: C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F
Compound: N-[4-(methoxymethyl)-6-methyl-2-oxo-1H-quinolin-7-yl]cyclopropanecarboxamide
SMILES: CC1=C(C=C2C(=C1)C(=CC(=O)N2)COC)NC(=O)C3CC3
Compound: N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide
SMILES: CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Compound: 4-[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-N-(5-methyl-3-isoxazolyl)-4-oxobutanamide
SMILES: CC1=CC(=NO1)NC(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C
Compound: 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)C2=NC(=C(O2)NCCC3=CC=CC=C3)C#N
Compound: N,N-diethyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILES: CCN(CC)S(=O)(=O)C1=C2C=CC=C3C2=C(C=C1)NC3=O
Compound: 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
SMILES: C1CCC2=C(C1)C(=O)C=CN2CCC3=CNC4=CC=CC=C43
Compound: 2-cyano-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-N-(4-methoxyphenyl)-2-propenamide
SMILES: CN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC)N(C1=O)C
Compound: 2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=C(C=C2)Cl
Compound: [3-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)prop-2-enyl]-3-piperidinyl]methanol
SMILES: COC1=CC=CC=C1C=CCN2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO
Compound: 3-acetyl-6-methyl-1H-quinolin-4-one
SMILES: CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)C
Compound: 1-butyl-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea
SMILES: CCCCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C
Compound: 1-(3-chloro-4-methylphenyl)-5-oxo-N-(2-thiazolyl)-3-pyrrolidinecarboxamide
SMILES: CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC=CS3)Cl
Compound: 1,3-bis(butylsulfonyl)-3a,4,6,6a-tetrahydro-2H-imidazo[4,5-d]imidazol-5-one
SMILES: CCCCS(=O)(=O)N1CN(C2C1NC(=O)N2)S(=O)(=O)CCCC
Compound: N-ethyl-3-(1-pyrrolyl)-2-thiophenecarboxamide
SMILES: CCNC(=O)C1=C(C=CS1)N2C=CC=C2
Compound: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CS4
Compound: 1-[2,3-bis(2-pyridinyl)-6-quinoxalinyl]-3-propylthiourea
SMILES: CCCNC(=S)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4
Compound: 6-(4-chlorophenyl)-4-(methylthio)-2-oxo-1H-pyridine-3-carbonitrile
SMILES: CSC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Cl)C#N
Compound: 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILES: CC1=C(NN=C1C2=CC=CC=C2)C(=O)NN
Compound: 2-[(3-fluorophenyl)methylthio]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CSCC3=CC(=CC=C3)F
Compound: 4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide
SMILES: C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=C(C=NC=C4Cl)Cl
Compound: 3-amino-5H-pyrimido[5,4-b]indol-4-one
SMILES: C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C=N3)N
Compound: 2-chloro-4,6-diphenyl-5-pyrimidinamine
SMILES: C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)C3=CC=CC=C3)N
Compound: (2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SMILES: CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3Cl
Compound: 3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid
SMILES: COC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)Br)CC(=O)O
Compound: 4-[2-[[3-ethoxy-4-[(2-methylphenyl)-oxomethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILES: CCOC1=C(C=CC(=C1)C=NNC2=CC=C(C=C2)C(=O)O)OC(=O)C3=CC=CC=C3C
Compound: 1-ethyl-4-[[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-2-pyrrolidinone
SMILES: CCN1CC(CC1=O)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F
Compound: 2-(3-ethoxypropylamino)-8-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-pyrimidinecarboxamide
SMILES: CCOCCCNC1=C(C=C2C(=N1)N=C3C=CC(=CN3C2=O)C)C(=O)NCC4CCCO4
Compound: 3-[[1-oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid
SMILES: CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C
Compound: (3R,3aS,7R,7aS)-3-[5-(1-benzothiophen-2-yl)-2-methoxyphenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=C(C=CC(=C3)C4=CC5=CC=CC=C5S4)OC)CC6=CC=CC=C6
Compound: (5-amino-3-triazolo[1,5-a]quinazolinyl)-(4-morpholinyl)methanone
SMILES: C1COCCN1C(=O)C2=C3N=C(C4=CC=CC=C4N3N=N2)N
Compound: N-[(1-methyl-3-indolyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3COC4=CC=CC=C4O3
Compound: N4-(4-methoxyphenyl)-N5-[(1S)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)OC
Compound: 4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile
SMILES: C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N
Compound: 2-butoxy-7-hydroxy-9-fluorenone
SMILES: CCCCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)O
Compound: 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
Compound: 2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3)C
Compound: N-[2-(propan-2-ylamino)-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
SMILES: CCOC(=O)NC1(OC2=CC=CC=C2O1)NC(C)C
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholinecarboxamide
SMILES: C1COCCN1C(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole
SMILES: CC1=CC(=C(N1)C2=NC3=CC=CC=C3S2)C
Compound: N-(2-methyl-4-oxo-1-propyl-6-quinolinyl)-2-pyrazinecarboxamide
SMILES: CCCN1C(=CC(=O)C2=C1C=CC(=C2)NC(=O)C3=NC=CN=C3)C
Compound: 8-(3-ethoxypropylamino)-1,3-dimethyl-7H-purine-2,6-dione
SMILES: CCOCCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C
Compound: N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILES: CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC=C2F)C)OC
Compound: 1-(3,4-dimethoxyphenyl)-1-cyclohexanecarboxamide
SMILES: COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)N)OC
Compound: 4-(4-chloro-2-methylphenoxy)-N-[3-(methylthio)phenyl]butanamide
SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=CC(=CC=C2)SC
Compound: 4-(2-naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)CC2=CC3=CC=CC=C3C=C2
Compound: N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide
SMILES: CCN1C=CC(=N1)C(=O)NC2=C(CCC2)C#N
Compound: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4
Compound: N-[4-[oxo-[(1-oxo-2,2-diphenylethyl)hydrazo]methyl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
Compound: N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
SMILES: CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC
Compound: 2-(1-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)-N-(3-phenylpropyl)propanamide
SMILES: CC1=NN(C(=O)C2=CC3=C(N12)C=CO3)C(C)C(=O)NCCCC4=CC=CC=C4
Compound: (5S,5aR,8aS,8bR)-7-tert-butyl-5-(4-methoxyphenyl)-8b-methyl-2-(3-methylphenyl)-5a,8a-dihydro-5H-pyrrolo[1,2]pyrrolo[4,5-a]imidazole-1,3,6,8-tetrone
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@]3([C@@H]4[C@H]([C@H](N3C2=O)C5=CC=C(C=C5)OC)C(=O)N(C4=O)C(C)(C)C)C
Compound: 4-[(2-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CC=C3[N+](=O)[O-]
Compound: 4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3
Compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-[[6-hydroxy-1-(4-methylphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide
SMILES: CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C4C=CC=C5C4=C(CC5)C=C3)O
Compound: 3-[(2S,4S)-2-(4-hydroxybutoxy)-6-[4-morpholinyl(oxo)methyl]-3,4-dihydro-2H-pyran-4-yl]-1-benzopyran-4-one
SMILES: C1COCCN1C(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=COC4=CC=CC=C4C3=O
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-(3-phenylpropylideneamino)-4-triazolecarboxamide
SMILES: CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CCCC3=CC=CC=C3
Compound: N-(4-anilinophenyl)-3,4-dimethoxybenzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)OC
Compound: 2-naphthalenyl-(4-phenyl-1-piperazinyl)methanone
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C=C3
Compound: 4-methoxybenzoic acid [1-(2-pyrazinyl)ethylideneamino] ester
SMILES: CC(=NOC(=O)C1=CC=C(C=C1)OC)C2=NC=CN=C2
Compound: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylpropanamide
SMILES: C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3OC2=O
Compound: 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILES: CC1=NC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC
Compound: N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C
Compound: 4,6-dimethyl-3-[3-(trifluoromethyl)-2H-isoxazol-5-ylidene]-2-pyridinone
SMILES: CC1=CC(=NC(=O)C1=C2C=C(NO2)C(F)(F)F)C
Compound: 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3F
Compound: (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-1-propanol
SMILES: CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCCC2=CC(=CC=C2)C(F)(F)F
Compound: 2-methyl-N-(2,4,6-trimethylphenyl)-3-furancarboxamide
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C2=C(OC=C2)C)C
Compound: 2-methylthio-1,3-benzothiazole
SMILES: CSc1nc2ccccc2s1
Compound: 4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=C(C(=NO2)C)Cl
Compound: 7-(4-ethyl-1-piperazinyl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILES: CCN1CCN(CC1)C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)F)C5=CC=CC=C5
Compound: 1-(6-methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: CC1=NC(=CC=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F
Compound: N-(2-ethoxyphenyl)-1H-benzimidazol-2-amine
SMILES: CCOC1=CC=CC=C1NC2=NC3=CC=CC=C3N2
Compound: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile
SMILES: CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C#N
Compound: 5-chloro-N-[4-(2-thiazolo[5,4-b]pyridinyl)phenyl]-2-thiophenesulfonamide
SMILES: C1=CC2=C(N=C1)SC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(S4)Cl
Compound: 3-(benzenesulfonyl)propanoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)Cl
Compound: 5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC(=O)CNC(=O)C2CCCCC2
Compound: 5-(3,4-dimethoxyphenyl)-2-(1-piperidinyl)-7-thiazolo[4,5-b]pyridinecarboxylic acid
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4)OC
Compound: 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)CC3=CSC=C3
Compound: 6-chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
SMILES: C=CCSC1=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
Compound: 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea
SMILES: CC(C)CNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2
Compound: N3-[(4-tert-butylphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine
SMILES: CC(C)(C)C1=CC=C(C=C1)C=NNC2=NN=CN2N
Compound: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester
SMILES: CN(C)C(=O)COC(=O)C1=CC=CC=C1NC2=CC=C(C=C2)SC(F)F
Compound: 2-(1-oxopropylamino)acetic acid phenacyl ester
SMILES: CCC(=O)NCC(=O)OCC(=O)C1=CC=CC=C1
Compound: 3-phenyl-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CCC3=CC=CC=C3
Compound: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1-phenylethyl)acetamide
SMILES: CC(C1=CC=CC=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O
Compound: 1-(3-methoxyphenyl)-3-[2-(methylthio)phenyl]urea
SMILES: COC1=CC=CC(=C1)NC(=O)NC2=CC=CC=C2SC
Compound: 1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one
SMILES: C1=CC=C(C=C1)C2=CC(=NN2)N3C(=O)NC4=CC=CC=C4N3O
Compound: 3-fluoro-N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-piperidinyl]benzamide
SMILES: C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)CC(=O)NCC3=CC=CC=C3F
Compound: N-[2-cyano-3-(2,4-dichloroanilino)-1-oxoprop-2-enyl]carbamic acid ethyl ester
SMILES: CCOC(=O)NC(=O)C(=CNC1=C(C=C(C=C1)Cl)Cl)C#N
Compound: N-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
SMILES: CN(C1=CC=CC=C1)N=CC2=CC(=C(C=C2OC)OC)OC
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
SMILES: CC1=CC=C(C=C1)NC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC5=CC6=C(C=C5NC4=O)OCCO6
Compound: N'-(4-chloro-2-methylphenyl)-4-methyl-5-thiadiazolecarbohydrazide
SMILES: CC1=C(C=CC(=C1)Cl)NNC(=O)C2=C(N=NS2)C
Compound: N-(1,3-benzodioxol-5-yl)-5-bromo-1-[cyclopropyl(oxo)methyl]-N-ethyl-2,3-dihydroindole-7-sulfonamide
SMILES: CCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=C4C(=CC(=C3)Br)CCN4C(=O)C5CC5
Compound: N-(4-acetylphenyl)-2-thiophen-2-ylacetamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=CS2
Compound: 8-nitro-2-[2-(4-nitrophenyl)ethenyl]quinoline
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C=CC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxo-3-pyridinecarboxamide
SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C(=O)NCCC3=CC=C(C=C3)OC)CCC4=CC=C(C=C4)OC
Compound: 1-(3-pyridinylmethyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
SMILES: C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NCC3=CN=CC=C3
Compound: 6-[[4-(3-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILES: CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C)CC3=CC(=O)NC(=O)N3
Compound: 6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC
Compound: 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)-3-quinolinecarboxamide
SMILES: CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC(C)C3=CC=CC=C3)O
Compound: 3-hydroxy-7-methyl-3-(4-morpholinyl)-5-nitro-1H-indol-2-one
SMILES: CC1=C2C(=CC(=C1)[N+](=O)[O-])C(C(=O)N2)(N3CCOCC3)O
Compound: N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3,4-dimethylbenzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCS(=O)(=O)CC3)C
Compound: 3-(1H-imidazol-5-yl)-2-propenoic acid methyl ester
SMILES: COC(=O)C=CC1=CN=CN1
Compound: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,5-dinitrobenzamide
SMILES: CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
Compound: N-[4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O
Compound: 1-phenyl-6-[(2-pyrimidinylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC=CC=N4
Compound: 2-phenoxy-N-(2-pyridinylmethylideneamino)propanamide
SMILES: CC(C(=O)NN=CC1=CC=CC=N1)OC2=CC=CC=C2
Compound: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone
SMILES: CCOC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1
Compound: N-[4-(5-oxazolyl)phenyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CN=CO3
Compound: N-tetracosanoyl-15-methylhexadecasphingosine-1-phosphocholine
SMILES: C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Compound: 1-[[2-(3-bromo-4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylthiourea
SMILES: COC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=CC=CC=C2)Br
Compound: 2,6-dimethoxybenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester
SMILES: COC1=C(C(=CC=C1)OC)C(=O)ON=C(C2=CC=NC=C2)N
Compound: N-[amino(1-pyrrolidinyl)methylidene]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N=C(N)N3CCCC3
Compound: 2-[(2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-yl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILES: CC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)SCC(=O)NC4=NON=C4C)C
Compound: 3,4,5-trimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILES: CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Compound: 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide
SMILES: CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
Compound: LSM-33192
SMILES: C=CCNC1=[NH+]C=NC2=C1NC3=CC=CC=C32
Compound: N6-(2-furanylmethyl)-N2-(4-methoxyphenyl)-N4-[(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILES: COC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)NCC3=CC=CO3)NC4=CC=C(C=C4)OC
Compound: 6-[(4-bromoanilino)methylidene]-2,4-dichloro-1-cyclohexa-2,4-dienone
SMILES: C1=CC(=CC=C1NC=C2C=C(C=C(C2=O)Cl)Cl)Br
Compound: 3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
SMILES: CC1=C(C(=NO1)C)COC(=O)CCC2=NC3=CC=CC=C3S2
Compound: 2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CCl
Compound: N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]acetamide
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54
Compound: N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyridinamine
SMILES: C1=CC=NC(=C1)NN=CC2=C(C=CC=C2Cl)F
Compound: 2-[3-(3-chlorophenyl)-5-isoxazolyl]-1-hydroxy-4H-1,2,4-benzotriazin-3-one
SMILES: C1=CC=C2C(=C1)NC(=O)N(N2O)C3=CC(=NO3)C4=CC(=CC=C4)Cl
Compound: N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILES: COC1=C(C=C(C=C1)C(C(=O)NC2CCCC2)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4)OC
Compound: 3-(2-ethoxyanilino)-2-(2-furanylmethyl)-3H-isoindol-1-one
SMILES: CCOC1=CC=CC=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC=CO4
Compound: 4-bromobenzenesulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)OS(=O)(=O)C4=CC=C(C=C4)Br
Compound: 5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]thiazolidine-2,4-dione
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)OCC3=CC=CC=C3
Compound: N-[(4-methylphenyl)methyl]-2-(2-pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C(F)(F)F)C3=CC=CC=N3
Compound: 6-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]hexanoic acid
SMILES: C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1
Compound: 1-[(6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NN=C2CC(OC3=C2C=C(C=C3)O)(C)C
Compound: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C#N
Compound: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester
SMILES: C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4
Compound: 3-[(3-methylphenyl)methylthio]-6-thiophen-2-ylpyridazine
SMILES: CC1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CS3
Compound: 4-[(3-methyl-2-thiophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=C(SC=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
Compound: 2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILES: C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)OC(F)(F)F
Compound: 5-methyl-3-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propylthio]-1H-1,2,4-triazole
SMILES: CC1=NC(=NN1)SCCCSC2=NNC(=N2)C
Compound: 3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4
Compound: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]benzohydrazide
SMILES: CC(=C1C=CC=CC1=O)NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3
Compound: 3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dione
SMILES: CN1CCN(CC1)C2=C(C(=O)N(C2=O)C3CCCCC3)Cl
Compound: 3-[(3-fluorophenyl)methylthio]-6-(2-furanyl)pyridazine
SMILES: C1=CC(=CC(=C1)F)CSC2=NN=C(C=C2)C3=CC=CO3
Compound: 1-cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea
SMILES: C1CC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5
Compound: 2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=N3
Compound: 1-butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide
SMILES: CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4C3=O
Compound: 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3O
Compound: 5-(2,5-dichlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide
SMILES: CCCN1N=C(N=N1)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl
Compound: N'-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-(1-piperidinylsulfonyl)benzohydrazide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC=C3C=CC(=O)C(=C3)O
Compound: 4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)N4C=CN=C4)N5C=CN=C5
Compound: N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
SMILES: CC1=CC=C(C=C1)OCC(=O)NNC(=O)CSC2=NC=C(C(=N2)N)C#N
Compound: 2-(benzenesulfonamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NS(=O)(=O)C3=CC=CC=C3
Compound: [4-(2-methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=CC=C4OC
Compound: LSM-33227
SMILES: CC=CC(=O)NC1=CC=CC(=C1)C2=NOC3(C2)C[C@H](N(C3)C(=O)COC4=CC=C(C=C4)Cl)C(=O)N
Compound: N-[2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Cl
Compound: 6,7-dimethyl-2H-pyrazolo[3,4-b]quinolin-3-amine
SMILES: CC1=CC2=CC3=C(NN=C3N=C2C=C1C)N
Compound: 2-(2-methylphenoxy)-N-(2-pyridinylmethylideneamino)acetamide
SMILES: CC1=CC=CC=C1OCC(=O)NN=CC2=CC=CC=N2
Compound: N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamide
SMILES: C1CCC(CC1)NC(=O)CN(C2=CC=C(C=C2)Cl)C(=O)CNC(=O)C3=CC=CO3
Compound: N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide
SMILES: C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4
Compound: 4-[7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine
SMILES: CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCOCC4)C5=CC=CC=C5
Compound: 6-(3,4-dimethoxyphenyl)-4-oxo-3-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4
Compound: 2-(4-butyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
SMILES: CCCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C
Compound: 1-(5-nitro-2-thiophenyl)piperidine
SMILES: C1CCN(CC1)C2=CC=C(S2)[N+](=O)[O-]
Compound: N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide
SMILES: CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4
Compound: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4
Compound: 2-[(3-cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)thio]acetamide
SMILES: C1CC1C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)N
Compound: 6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
SMILES: CC1CCCCN1C2=C(C(=NC=N2)N)[N+](=O)[O-]
Compound: 2-[(2-methoxy-1-oxoethyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC
Compound: 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Compound: 3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILES: C1CC2=C(C1)NN=C2C3=C(C=C(C=C3)Cl)Cl
Compound: 1-[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea
SMILES: C1COCCN1C2=CC=C(C3=NON=C23)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
Compound: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-(5-methyl-2-thiazolyl)benzamide
SMILES: CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=C(S3)C
Compound: 4-(4-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine
SMILES: CC1=CC=C(C=C1)C2=C(N(N=C2)C3=CC(=CC=C3)[N+](=O)[O-])N
Compound: 3,4-dihydro-2H-quinolin-1-yl-[4-(phenylmethyl)-5-thieno[3,2-b]pyrrolyl]methanone
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=C(N3CC5=CC=CC=C5)C=CS4
Compound: 1-(10-methyl-2-phenothiazinyl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C
Compound: 1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione
SMILES: CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3
Compound: 2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
Compound: N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide
SMILES: CC(C1=CC=CC=C1)NC(=O)C2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3
Compound: 1-(4-morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone
SMILES: C1COCCN1C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4
Compound: 4-[2-(dimethylamino)ethylamino]-3-benzo[h]quinolinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C2C(=C1NCCN(C)C)C=CC3=CC=CC=C32
Compound: 1-[1-(4-methoxyphenyl)propan-2-ylideneamino]-3-(4-propan-2-ylphenyl)thiourea
SMILES: CC(C)C1=CC=C(C=C1)NC(=S)NN=C(C)CC2=CC=C(C=C2)OC
Compound: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester
SMILES: CC1=CC=C(C=C1)OC(=O)C2=C(C3=C(S2)N=CN(C3=O)C)C
Compound: N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)CCOC
Compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-furanyl)-2-propenamide
SMILES: CCC1=NN=C(S1)NC(=O)C=CC2=CC=CO2
Compound: 2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
SMILES: CC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NCC4CCCO4)C(=O)N5C=CC=CC5=N3
Compound: 2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
SMILES: CC(C)C(=O)NC1=C2CCN(C2=NC3=CC=CC=C31)C
Compound: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile
SMILES: CN1C(=NN=C1SCC#N)CCC2=NC3=CC=CC=C3N2
Compound: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]-N-(1,1-dioxo-3-thiolanyl)-N-(2-methylpropyl)acetamide
SMILES: CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl
Compound: 5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILES: C1=CSC(=C1)CC2C(=O)NC(=O)NC2=O
Compound: 2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone
SMILES: CN1C(=CN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)F
Compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
SMILES: CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)NS(=O)(=O)C3=CC=CC4=NSN=C43
Compound: LSM-33265
SMILES: CC(=O)[C@]12[C@H](N1C(=O)C)CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
Compound: LSM-33266
SMILES: C1CN2C3=NC4=CC=CC=C4C3=NN=C2SC1
Compound: LSM-33267
SMILES: CC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
Compound: 3-phenyl-N-(3-pyridinyl)-2-propenamide
SMILES: C1=CC=C(C=C1)C=CC(=O)NC2=CN=CC=C2
Compound: 2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-1-(3-pyridinylmethyl)-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCCN5CCOCC5
Compound: 5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC=C(C=C3)C
Compound: 5-cyano-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4
Compound: N-[2-(4-chlorophenyl)ethyl]-2-[3-[(2-fluorophenyl)methyl]-2-oxo-1-imidazolidinyl]acetamide
SMILES: C1CN(C(=O)N1CC2=CC=CC=C2F)CC(=O)NCCC3=CC=C(C=C3)Cl
Compound: 9-chloro-3-[(1-ethyl-2-pyrrolidinyl)methyl]-5H-pyrimido[5,4-b]indol-4-one
SMILES: CCN1CCCC1CN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl
Compound: 2,2-dibromo-1-methyl-N-(2-naphthalenyl)-1-cyclopropanecarboxamide
SMILES: CC1(CC1(Br)Br)C(=O)NC2=CC3=CC=CC=C3C=C2
Compound: N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine
SMILES: C1CN(CCC1NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5
Compound: N-(4-ethoxyphenyl)-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C
Compound: 5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES: C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C3=CC=CC=C3Cl
Compound: N-(2,5-dimethoxyphenyl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfonyl]acetamide
SMILES: CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)NC3=C(C=CC(=C3)OC)OC
Compound: LSM-33280
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6
Compound: 4-[(3-methylphenyl)thio]-2-phenyl-5-pyrimidinecarboxylic acid
SMILES: CC1=CC(=CC=C1)SC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3
Compound: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-phenylethyl)-5-tetrazolyl]methyl]phenol
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3S2)C(C4=CC=C(C=C4)O)C5=NN=NN5CCC6=CC=CC=C6
Compound: LSM-33283
SMILES: C1COCCN1CCNC(=O)C2=CC3=C(N2CC4=CC=CC=C4)N=C5C=CC=CN5C3=O
Compound: 6-propan-2-yl-1,3-benzothiazol-2-amine
SMILES: CC(C)C1=CC2=C(C=C1)N=C(S2)N
Compound: 5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
SMILES: CCOC1=CC=CC=C1NC(=O)CN2C(=C(N=N2)C(=O)NCC3=CC=CO3)N
Compound: N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide
SMILES: CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)C
Compound: 5-(pentoxymethyl)-3-[2-[(4-phenyl-2-thiazolyl)hydrazinylidene]propyl]-2-oxolanone
SMILES: CCCCCOCC1CC(C(=O)O1)CC(=NNC2=NC(=CS2)C3=CC=CC=C3)C
Compound: 2-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)-3-imidazo[1,2-a]pyrimidinamine
SMILES: CC1=CC=C(C=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)N(C)C
Compound: 3-benzamido-3-oxopropanethioic acid S-methyl ester
SMILES: CSC(=O)CC(=O)NC(=O)C1=CC=CC=C1
Compound: 2,5-dioxo-1-phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-3-carbonitrile
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C3N2C4=CC=CC=C4C(=O)N3)C#N
Compound: 6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole
SMILES: C1CSC2=NC(=CN21)C3=CC=C(C=C3)Cl
Compound: 2-chloro-N-[2-[2-[(5-nitro-2-thiophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])Cl
Compound: 2-(1,3-benzoxazol-2-ylthio)-N-(4-phenyl-2-thiazolyl)acetamide
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3
Compound: 4-phenyl-N-(1-thiophen-2-ylethylideneamino)-2-thiazolamine
SMILES: CC(=NNC1=NC(=CS1)C2=CC=CC=C2)C3=CC=CS3
Compound: N-[(2,4-dimethylphenyl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILES: CC1=CC(=C(C=C1)CNC(=O)C2CC(=O)OC23CCCC3)C
Compound: 1-(2,3-dichlorophenyl)-3-pyridin-4-ylurea
SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=NC=C2
Compound: 2-[4-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester
SMILES: CCOC(=O)C(C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)C)(C(F)(F)F)O
Compound: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)OC)N)C
Compound: N-[2,5-diethoxy-4-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=O)CC3=CC(=CC=C3)OC
Compound: 2-(4-chlorophenoxy)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)COC4=CC=C(C=C4)Cl
Compound: 4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
SMILES: CCOC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCC3=CC=C(C=C3)C
Compound: 5-[(3-methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole
SMILES: CC1=CC(=CC=C1)OCC2=NC(=NO2)C3=CC=C(C=C3)N4C=CC=C4
Compound: 3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SMILES: C1CCC2=NN=C(N2CC1)C3=CC=NC=C3
Compound: 5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CCN1C(=O)C(=CC2=C(C=C(C=C2)N(CC)CC)OC)C(=O)NC1=S