MonarchInit/C3PO huggingface dataset:
Compound: 1-(4-butylphenyl)-3-(4-morpholinyl)thiourea
SMILES: CCCCC1=CC=C(C=C1)NC(=S)NN2CCOCC2
Compound: 4-[[3-[(4-chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILES: CC(C)NC1=NC(=NC(=N1)NC2CCCCC2)Cl
Compound: 2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
SMILES: CCCC(C1=NC2=C3C=C(C(=CC3=NC(=S)N2N1)OC)OC)OC4=CC=C(C=C4)Br
Compound: 4-(4-phenylmethoxyphenyl)thiadiazole
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSN=N3
Compound: N-(4-fluorophenyl)-2-(5-methoxy-1-oxo-2-isoquinolinyl)acetamide
SMILES: COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)F
Compound: 2-(4-nitro-2-pyridinyl)isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=CC(=C3)[N+](=O)[O-]
Compound: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolamine
SMILES: COC1=CC=C(C=C1)C2=NN(C=C2N)C3=CC=CC=C3
Compound: 2-propyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILES: CCCC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC
Compound: 1-cyclohexyl-3-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-1-methylthiourea
SMILES: CN(C1CCCCC1)C(=S)NC2=CCS(=O)(=O)C2
Compound: 6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
SMILES: CC1=C(N2C=C(C=CC2=N1)Br)NC(C)(C)C
Compound: 4-methyl-N'-(4-quinazolinyl)benzohydrazide
SMILES: CC1=CC=C(C=C1)C(=O)NNC2=NC=NC3=CC=CC=C32
Compound: 3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
SMILES: C1CCC2=C(C1)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])OC2=O
Compound: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2
Compound: N-(3,4-dimethylphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3)C
Compound: 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
SMILES: CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)C
Compound: N-[(4-chlorophenyl)methoxy]-N'-(4-thieno[2,3-d]pyrimidinyl)methanimidamide
SMILES: C1=CC(=CC=C1CONC=NC2=C3C=CSC3=NC=N2)Cl
Compound: 2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
SMILES: COC1=CC=CC=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SCC(=O)NCC3=CC=CC=C3OC
Compound: 2-chloro-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]benzamide
SMILES: CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC=CC=C2Cl
Compound: 4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(C=C1)NC(=NC2=O)C(F)(F)F
Compound: 1-(4-tert-butylphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-piperidinecarboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NCC3=CC=CC=N3
Compound: (4-benzoyl-1-methyl-3-pyrrolidinyl)-phenylmethanone
SMILES: CN1CC(C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Compound: 2,6-dimethyl-4-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]morpholine
SMILES: CC1CN(CC(O1)C)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
Compound: 2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC
Compound: 4-chloro-N-[3-(4-fluorophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1-imidazolidinyl]benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F
Compound: 3-(2-furanyl)-3-(4-methylphenyl)-1-(4-morpholinyl)-1-propanone
SMILES: CC1=CC=C(C=C1)C(CC(=O)N2CCOCC2)C3=CC=CO3
Compound: N-(3,4-dichlorophenyl)-2-[4-(1-piperidinylsulfonyl)-1-piperazinyl]acetamide
SMILES: C1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)Cl
Compound: N-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: COC1=C(C=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)OC)OC
Compound: 9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline
SMILES: CC1=C2CCCCC2=NC3=NN=NN13
Compound: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CN=C4OC)C(=N2)C)C
Compound: 1-(4-bromophenyl)-3-(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)Br
Compound: LSM-27020
SMILES: CC(C)CN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)CCN5CCOCC5
Compound: 2-thiophenecarboxylic acid (6-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)COC(=O)C3=CC=CS3
Compound: 3-(4-fluorophenyl)-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: C1CCN(C1)C2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2
Compound: 3-pyridinecarboxylic acid [2-(2-furanyl)-4-oxo-1-benzopyran-3-yl] ester
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CO3)OC(=O)C4=CN=CC=C4
Compound: 3-phenyl-4-[[4-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one
SMILES: C1=CC=C(C=C1)C2=NNC(=O)C2=CNC3=CC=C(C=C3)C(F)(F)F
Compound: 1-(2,6-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]thiourea
SMILES: CC1=C(C(=CC=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC
Compound: 4-(2-oxazolo[4,5-b]pyridinyl)aniline
SMILES: C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)N
Compound: N-(2-furanylmethylideneamino)-4-methyl-6-phenyl-2-pyrimidinamine
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)NN=CC3=CC=CO3
Compound: [3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone
SMILES: CSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC=C(C=C3)Cl
Compound: 4-fluoro-3-methoxy-N-(2-pyridinyl)benzenesulfonamide
SMILES: COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=N2)F
Compound: 2,4-difluorobenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
SMILES: C1CC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)F
Compound: 4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one
SMILES: CC1=C(NN(C1=O)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C
Compound: 3-(carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)butanamide
SMILES: CC(=NNC(=S)N)CC(=O)NC1=CC(=C(C=C1)Cl)Cl
Compound: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)N)C(=S)NCC2=CC3=C(C=C2)OCO3
Compound: N-(1,3-benzodioxol-5-yl)-5-bromo-3-pyridinecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=CN=C3)Br
Compound: 5-[(3-bromophenyl)methylidene]-2-[2-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanylidene)hydrazinyl]-4-thiazolone
SMILES: CC1(C2CCC1(C(=NNC3=NC(=O)C(=CC4=CC(=CC=C4)Br)S3)C2)C)C
Compound: 5-[[4-(diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILES: CCN(CC)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3C
Compound: 4,5-dimethyl-2-[[1-oxo-2-(4-quinazolinyloxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=NC=NC3=CC=CC=C32
Compound: 2-methoxy-4-[[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)amino]methylidene]-1-cyclohexa-2,5-dienone
SMILES: COC1=CC2=C(CCC3=C2N=C(S3)NC=C4C=CC(=O)C(=C4)OC)C=C1
Compound: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
SMILES: CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
Compound: 3,5-dimethyl-N-[2-(methylthio)phenyl]-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2SC
Compound: 4-[2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl
Compound: 4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC(=CN1)S(=O)(=O)NCCC2=CC=CC=C2
Compound: 2-[[4-amino-5-(3-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide
SMILES: CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC(=CC=C3)Cl)N)C
Compound: 2-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,3-benzothiazole
SMILES: CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=NC4=CC=CC=C4S3
Compound: 1-(3,4-dimethylphenyl)-2,5-dioxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile
SMILES: CC1=C(C=C(C=C1)N2C3=C(C=C(C2=O)C#N)C(=O)N4C=CC=CC4=N3)C
Compound: 4-[(3-bromophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)Br
Compound: 2-chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
SMILES: C1COCCN1C(=O)C2=CN3C(=NC4=C(C3=O)C=C(C=C4)Cl)C=C2
Compound: 5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILES: CC1=NNC(=O)N=C1NN=CC2=CC(=C(C=C2)OC)OC
Compound: 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole
SMILES: CCC1=NC(=NN1)SCC2=CC=C(C=C2)OCC(C)C
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILES: COCCN1CC2=CC=CC(=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: COCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC
Compound: 5-(3,4-dimethoxyphenyl)-2H-tetrazole
SMILES: COC1=C(C=C(C=C1)C2=NNN=N2)OC
Compound: 5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILES: COC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5
Compound: 2-[[cyclohexyl(oxo)methyl]amino]-3-thiophenecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=C(C=CS2)C(=O)N
Compound: 3-chloro-4-ethoxy-N-[3-(2-oxazolo[5,4-b]pyridinyl)phenyl]benzamide
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)N=CC=C4)Cl
Compound: N'-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(1,2,4-triazol-1-yl)acetohydrazide
SMILES: COC1=CC(=CC(=CNNC(=O)CN2C=NC=N2)C1=O)[N+](=O)[O-]
Compound: 2-hydroxyestrone
SMILES: [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21
Compound: N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)C(=S)NCC2=CC=CO2
Compound: LSM-27058
SMILES: C1=CC=C(C(=C1)C2C(=O)C3=CC=CC=C3C(=O)C2=O)F
Compound: 4-morpholinecarboxylic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2,6-dimethoxyphenyl] ester
SMILES: COC1=CC(=CC(=C1OC(=O)N2CCOCC2)OC)C3C(=C(OC4=C3C(=O)CCC4)N)C#N
Compound: LSM-27060
SMILES: CC1=C(C(C2C(=N1)CCCC2=O)C3=CN=CC=C3)C#N
Compound: N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2
Compound: 2-thiophen-2-yl-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
SMILES: C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
Compound: 2-[(2-oxo-3-indolyl)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=C(S2)NC3=C4C=CC=CC4=NC3=O)C(=O)NCCC5=CC=CC=C5
Compound: N-[6-[2-[(6-methoxy-2-quinolinyl)methylidene]hydrazinyl]-6-oxohexyl]carbamic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)NN=CC1=NC2=C(C=C1)C=C(C=C2)OC
Compound: 4-(2-quinoxalinylamino)benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2
Compound: N-(4-nitrophenyl)-2-phenoxyacetamide
SMILES: C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2-dehydropantoate
SMILES: CC(C)(CO)C(=O)C([O-])=O
Compound: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: C1CC1N2C(=O)C(=CNC3=CC4=C(C=C3)OCO4)C(=O)NC2=S
Compound: 2-[4-(4-methoxyphenyl)-2-thiazolyl]guanidine
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N
Compound: 1-(2-furanylmethyl)-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
SMILES: CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2CC4=CC=CO4)CC(OC3)(C)C
Compound: 4-methoxy-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
SMILES: CC1=NC(=NC2=CC3=C(C=C12)OCO3)NC(=O)C4=CC=C(C=C4)OC
Compound: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methylanilino)-N-(2-furanylmethyl)-2-(3-pyridinyl)acetamide
SMILES: CC1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NCC3=CC=CO3)C(=O)CN4C5=CC=CC=C5N=N4
Compound: 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NC(=NO1)C2=CC(=C(C=C2)OC)OC
Compound: 6-(butan-2-ylthio)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C
Compound: N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(8-quinolinylsulfonyl)acetamide
SMILES: CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)C
Compound: 2-[3-[2-(2-furanylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
SMILES: CCOC(=O)C=C1N(C(=O)C(=CC2=CC=C(C=C2)C)S1)CC(=O)NCC3=CC=CO3
Compound: 2,4-dimethyl-5-furo[3,2-b]pyrrolecarboxylic acid [3-methyl-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl] ester
SMILES: CC1=CC2=C(O1)C=C(N2C)C(=O)OC(C(C)C)C(=O)NCC3CCCO3
Compound: N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILES: CC(C)CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCC3=CC=CC=C32
Compound: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester
SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O
Compound: N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]
Compound: 3-(2-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CO3
Compound: 2-[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl
Compound: N-[4-[oxo-(2-pyrrolylidenemethylhydrazo)methyl]phenyl]butanamide
SMILES: CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC=C2C=CC=N2
Compound: 3-ethoxy-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CCOC1=CC(=O)C(=C2C(=CNN2)OC3=CC=CC=C3OCC)C=C1
Compound: 2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester
SMILES: CCC(C(=O)OCC)SC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C
Compound: N-cyclopentyl-2-(2,3-dihydroindol-1-yl)-2-(4-methoxyphenyl)acetamide
SMILES: COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N3CCC4=CC=CC=C43
Compound: 1-(2-furanylmethylideneamino)-3-methylthiourea
SMILES: CNC(=S)NN=CC1=CC=CO1
Compound: 2-deoxy-alpha-D-ribose 1-phosphate
SMILES: OC[C@H]1O[C@@H](C[C@@H]1O)OP(O)(O)=O
Compound: 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester
SMILES: CC1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=C(C=C4)C(=O)OC
Compound: 1-(4-bromophenyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]thiourea
SMILES: C1COCCN1C2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-]
Compound: 4-tert-butyl-N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]phenyl]benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2OC)NC(=O)CN3CCCCC3)OC
Compound: 1-(3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone
SMILES: CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=CS2)(C)C)O)C
Compound: 1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4
Compound: N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
SMILES: CC1=CC(=C(C(=C1)C)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)C
Compound: 3-[3-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-2-propenoic acid
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)O
Compound: 2-[[3-oxo-2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetonitrile
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC#N
Compound: 1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)C2=C(C=NN2C)Br
Compound: N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CS3
Compound: (4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanone
SMILES: C1COCCN1C2=C(C=C(S2)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
Compound: 1-methyl-4-[2-oxo-2-(N-(phenylmethyl)anilino)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=CC2=C(N1CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)C=CN2C
Compound: 4-(4-chlorophenyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=C(C=C4)Cl
Compound: N-[(2-hydroxy-1-naphthalenyl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILES: CC(C)C(=O)NC(C1=CC=C(C=C1)OC)C2=C(C=CC3=CC=CC=C32)O
Compound: 1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol
SMILES: C1=CC=C2C(=C1)C=CN2CC(CN3C4=CC=CC=C4N=C3CO)O
Compound: N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILES: CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)C
Compound: 2-thiophenecarboxylic acid [[amino-(2-methylphenyl)methylidene]amino] ester
SMILES: CC1=CC=CC=C1C(=NOC(=O)C2=CC=CS2)N
Compound: 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CN2C=C3CCCCC3=N2)C
Compound: N'-(4-tert-butyl-2-thiazolyl)-4-chlorobenzohydrazide
SMILES: CC(C)(C)C1=CSC(=N1)NNC(=O)C2=CC=C(C=C2)Cl
Compound: 5-bromo-N-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4
Compound: 4-(4-chlorophenyl)-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC=C(C=C3)Cl
Compound: LSM-27108
SMILES: C1CC2=C3C(=NC(=C2C1)C4=CC(=CC=C4)O)C=CC5=CC=CC=C53
Compound: N-(5-chloro-2-methoxyphenyl)-2,4-dimethyl-5-oxazolecarboxamide
SMILES: CC1=C(OC(=N1)C)C(=O)NC2=C(C=CC(=C2)Cl)OC
Compound: 3-(phenylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILES: C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)NC2=S
Compound: 3-(3,4-dimethylphenyl)sulfonyl-2-imino-1-prop-2-enyl-5-dipyrido[1,2-e:4',3'-f]pyrimidinone
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC=C)C
Compound: 2-furancarboxylic acid [4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)OC(=O)C2=CC=CO2
Compound: 3-(1-benzotriazolyl)-N'-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]propanehydrazide
SMILES: COC1=CC(=CNNC(=O)CCN2C3=CC=CC=C3N=N2)C(=O)C=C1
Compound: N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-4-(phenoxymethyl)benzamide
SMILES: C1C=CC2C1CC2=NNC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4
Compound: 3-(4-bromophenyl)-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2-propen-1-one
SMILES: CC1=NC2=C(CCCC2)C=C1C(=O)C=CC3=CC=C(C=C3)Br
Compound: N-cyclopentyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCCC2
Compound: (2R)-2-[(1R,2S)-2-[(S)-benzenesulfonamido(phenyl)methyl]-2-methylcyclopropyl]-N-(2-naphthalenyl)propanamide
SMILES: C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC5=CC=CC=C5C=C4
Compound: N-bis(N-methylanilino)phosphoryl-N-methylaniline
SMILES: CN(C1=CC=CC=C1)P(=O)(N(C)C2=CC=CC=C2)N(C)C3=CC=CC=C3
Compound: N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamide
SMILES: CC1=NC2=CC=CC=C2N=C(C1C3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4
Compound: 3-(2-bromophenyl)-4-[[4-(diethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
SMILES: CCN(CC)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3Br
Compound: 2-[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
SMILES: CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
Compound: 2,5-dichloro-4-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
SMILES: CCOC1=CC(=C(C=C1Cl)S(=O)(=O)NCC2=CC=CC=N2)Cl
Compound: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
SMILES: CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3
Compound: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
SMILES: CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=NOC(=C3)C4=CC=CO4
Compound: 2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-]
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
SMILES: CC(=O)N(CCC1=CC=CC=C1)CC2=CC3=C(C=CC(=C3)OC)NC2=O
Compound: N-(3-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
SMILES: CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4
Compound: 2-methyl-4-(1-methyl-4-pyrazolyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILES: CC1=CN=C(C=C1)NC(=O)C2=C(N=C3CCCC(=O)C3C2C4=CN(N=C4)C)C
Compound: 2-(3,4-dimethylphenyl)-4-(3-indolylidenemethyl)-5-methyl-1H-pyrazol-3-one
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=NC4=CC=CC=C43)C
Compound: 7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILES: CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C4=CC=CC=C4OC
Compound: N-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylthio)propanamide
SMILES: C1=CC=C2C(=C1)C=CC3=NN=C(N32)SCCC(=O)NC4=CC=C(C=C4)F
Compound: N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
SMILES: CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])F
Compound: 2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILES: CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=NC4=C(S3)CCCC4
Compound: 3-methylbenzoic acid [1-(4-methyl-2-phenyl-5-thiazolyl)ethylideneamino] ester
SMILES: CC1=CC=CC(=C1)C(=O)ON=C(C)C2=C(N=C(S2)C3=CC=CC=C3)C
Compound: 8-[[butyl(ethyl)amino]methyl]-7-hydroxy-4-phenyl-1-benzopyran-2-one
SMILES: CCCCN(CC)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O
Compound: 1-(4-ethoxyphenyl)-3-[(1,3,3-trimethyl-2-indolylidene)methyl]pyrrolidine-2,5-dione
SMILES: CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)C=C3C(C4=CC=CC=C4N3C)(C)C
Compound: 3-(5-bromo-2-furanyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(O3)Br
Compound: 3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one
SMILES: CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+]3=CC=CC=C3)S
Compound: N-(4-bromophenyl)-4-(2-methoxyphenyl)-1-piperidinecarbothioamide
SMILES: COC1=CC=CC=C1C2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br
Compound: 1,3-benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)Cl
Compound: 1-[4-methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
SMILES: CC1=CC=C(C=C1)OCCNC2=NC(=C(S2)C(=O)C)C
Compound: 2-[2-(difluoromethoxy)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILES: C1CN(C2=CC=CC=C21)C(=O)CNC3=CC=CC=C3OC(F)F
Compound: 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
SMILES: CC(C)(C)C1CC/C(=N\NC(=O)C2=CC=C(O2)Br)/CC1
Compound: N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILES: CC1=CC=CC=C1OCC(=O)NC2=NCCS2
Compound: 2-[(4-methyl-1-piperazinyl)methylideneamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
SMILES: CN1CCN(CC1)C=NC2=C(C3=C(S2)CCCCC3)C#N
Compound: 2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole
SMILES: CC1=CC2=C(C=C1)N=C(N2)C(OC(F)(F)F)F
Compound: 1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CN1C=NN=C1SCC(=O)N2C(C3CCCC(=CC4=CC=CO4)C3=N2)C5=CC=CO5
Compound: 4-(4-methylanilino)-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]butanehydrazide
SMILES: CC1=CC=C(C=C1)NCCCC(=O)NNC=C2C=CC=C(C2=O)CC=C
Compound: 3-[[oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CS3
Compound: 5-methyl-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-3-carboxamide
SMILES: CC1=CC(=NN1)C(=O)NN=C(C)C2=CC=CS2
Compound: 8-(diethylaminomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-1-benzopyran-4-one
SMILES: CCN(CC)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O
Compound: N-(4-ethoxyphenyl)-2-[5-oxo-1-phenyl-3-(2-pyridinylmethyl)-2-sulfanylidene-4-imidazolidinyl]acetamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=N3)C4=CC=CC=C4
Compound: 3-(2-amino-4-chlorophenoxy)-2-propenenitrile
SMILES: C1=CC(=C(C=C1Cl)N)OC=CC#N
Compound: N-(5-methyl-2-thiazolyl)cyclopentanecarboxamide
SMILES: CC1=CN=C(S1)NC(=O)C2CCCC2
Compound: 5-butyl-2-[2-(2-furanylmethylidene)hydrazinyl]-4-thiazolone
SMILES: CCCCC1C(=O)N=C(S1)NN=CC2=CC=CO2
Compound: 2-(2-phenylanilino)-N-(phenylmethyl)acetamide
SMILES: C1=CC=C(C=C1)CNC(=O)CNC2=CC=CC=C2C3=CC=CC=C3
Compound: isethionic acid
SMILES: OCCS(O)(=O)=O
Compound: 3-[1-(3,5-dichlorophenyl)-5-tetrazolyl]-5-methylisoxazole
SMILES: CC1=CC(=NO1)C2=NN=NN2C3=CC(=CC(=C3)Cl)Cl
Compound: 7-anilino-1-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)NC3=CC=CC=C3)C4=CC=C(C=C4)C
Compound: LSM-27159
SMILES: CC1=CC(=NO1)N2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC
Compound: 2-(4-morpholinyl)-4-phenyl-5-thiazolecarboxaldehyde
SMILES: C1COCCN1C2=NC(=C(S2)C=O)C3=CC=CC=C3
Compound: N-[[2-methyl-1-(phenylmethyl)-3-indolyl]methylideneamino]-5-nitro-2-pyridinamine
SMILES: CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=NNC4=NC=C(C=C4)[N+](=O)[O-]
Compound: 2-[(2-chlorophenyl)methylidene]-4-methyl-3-oxo-N-(3-pyridinylmethyl)-1,4-benzothiazine-6-carboxamide
SMILES: CN1C2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC(=CC4=CC=CC=C4Cl)C1=O
Compound: 3-benzamido-2-benzofurancarboxamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)N
Compound: 2-(3,4-dimethoxyphenyl)-N-[3-(3-nitrophenyl)prop-2-enylideneamino]acetamide
SMILES: COC1=C(C=C(C=C1)CC(=O)NN=CC=CC2=CC(=CC=C2)[N+](=O)[O-])OC
Compound: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamide
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl
Compound: 2-[[1-(phenylmethyl)-3-indolyl]thio]-N-(2-thiazolyl)acetamide
SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC=CS4
Compound: 3,3,3-trifluoro-2-hydroxy-2-[4-[methoxycarbonyl(methyl)amino]phenyl]propanoic acid methyl ester
SMILES: CN(C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)C(=O)OC
Compound: 2-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester
SMILES: CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2[N+](=O)[O-]
Compound: 2-[[2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CCOC)C3=CC=C(C=C3)OC)C
Compound: N-[5-(2-oxolanyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
SMILES: C1CC(OC1)C2=NN=C(S2)NC(=O)C3=CC=CS3
Compound: 3-[2-(4-aminoanilino)-4-thiazolyl]-1-benzopyran-2-one
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)N
Compound: 1-(3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(4-chlorophenyl)ethanone
SMILES: COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CC4=CC=C(C=C4)Cl)N
Compound: 1-[2-(4-chlorophenyl)-7-methyl-3-imidazo[1,2-a]pyridinyl]-N-[(3-fluorophenyl)methoxy]methanimine
SMILES: CC1=CC2=NC(=C(N2C=C1)C=NOCC3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl
Compound: 6-amino-1,3-diphenyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: COC1=CC(=CC(=C1OC)OC)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)N)C#N
Compound: LSM-27175
SMILES: CC1=C(C=CC(=C1)O)N=CC2CCCC2=O
Compound: 4-[6-(4-methylphenyl)-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone
SMILES: CC1=CC=C(C=C1)C2=CC=NC(=C3C=CC(=O)C=C3)N2
Compound: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-chlorobenzamide
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4
Compound: N-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Cl)[N+](=O)[O-]
Compound: 6-bromo-3-(4-morpholinyl)-4-phenyl-1H-quinolin-2-one
SMILES: C1COCCN1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4
Compound: 1-(phenylmethyl)-4-(phenylmethylthio)pyrazolo[3,4-d]pyrimidine
SMILES: C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=CC=C4
Compound: 1-(1-adamantyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone
SMILES: C1C2CC3(CC1CC(C3)C2)C(=O)CSC4=CC=CC=[N+]4[O-]
Compound: 4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester
SMILES: COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)Cl
Compound: 4-amino-5-cyano-2-(1-naphthalenylmethylthio)-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide
SMILES: C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC3=CC=CC4=CC=CC=C43)C(=O)N
Compound: 4-chloro-N-[(2-methylpropylamino)-sulfanylidenemethyl]benzamide
SMILES: CC(C)CNC(=S)NC(=O)C1=CC=C(C=C1)Cl
Compound: 3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl
Compound: 4-methyl-N-[4-(4-morpholinyl)phenyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3
Compound: 2-(pentaprenyloxy)dihydrophenazine
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COc1ccc2Nc3ccccc3Nc2c1
Compound: 3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)Cl
Compound: [4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]-(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4
Compound: 1-(3-methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea
SMILES: CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)OC
Compound: 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-benzopyran-3-carboxamide
SMILES: CC1=NC(=CC=C1)NC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O
Compound: 1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea
SMILES: CC1=CC=C(C=C1)SCCNC(=S)NC2=CC=CC=C2OC
Compound: N'-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-methyl-3-nitrobenzenesulfonohydrazide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NNC=C2C=CC(=O)C=C2O)[N+](=O)[O-]
Compound: 6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
SMILES: CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)OC)C(=O)NC
Compound: N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILES: CC1=C(C(=NN1)NC2=CC=C(C=C2)Br)[N+](=O)[O-]
Compound: 2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol
SMILES: CCCN1C=NC2=C1C=CC(=C2)NCC3=C(C(=CC=C3)OC)O
Compound: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4
Compound: 4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)NNC3=O
Compound: N-(3-chloro-2-quinoxalinyl)-2-naphthalenesulfonamide
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3Cl
Compound: 2-quinolinecarboxylic acid (4-nitrophenyl) ester
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 1-(2,4-dichlorophenyl)-5-(dimethylamino)-3-penta-1,4-dienone
SMILES: CN(C)C=CC(=O)C=CC1=C(C=C(C=C1)Cl)Cl
Compound: N-[3-(2-phenyl-4-thiazolyl)phenyl]propanamide
SMILES: CCC(=O)NC1=CC=CC(=C1)C2=CSC(=N2)C3=CC=CC=C3
Compound: 6-(chloromethyl)-N2-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CCl
Compound: N-[1-(3-methoxyphenyl)-3-(1-naphthalenylamino)-3-oxopropyl]benzamide
SMILES: COC1=CC=CC(=C1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4
Compound: 3-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]butanamide
SMILES: CC(C)CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2
Compound: 6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES: CCC1=C(N2C(=NC=N2)N=C1C)NCCC3=CC=C(C=C3)OC
Compound: 3-(benzenesulfonyl)-1-cyclopropyl-2-pyrrolo[3,2-b]quinoxalinamine
SMILES: C1CC1N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N
Compound: 3-chloro-N-[3-[[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]benzamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]
Compound: N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamide
SMILES: CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCN(C)C
Compound: N-[(4S,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C
Compound: 2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)COC)OC[C@H]1C)C)OC)C
Compound: 1-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C
Compound: 4-fluoro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C
Compound: 1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C)C)OC)C
Compound: 4-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@@H](CO2)C)C)OC)C
Compound: 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C
Compound: 1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C
Compound: 1-[(5R,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C)C)OC)C
Compound: 1-(4-fluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C
Compound: 1-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C)C)OC)C
Compound: N-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C(=O)C)C)OC)C
Compound: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C
Compound: N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CCC(F)(F)F)C)OC)C
Compound: 1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN[C@@H](CO2)C)C)OC)C
Compound: N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C
Compound: (4R,7R,8S)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@H]1C)C)OC)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C
Compound: N-[(5R,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=C3F)C)OC)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=CC=N3)C)OC)C
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 4-fluoro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@H]([C@H](CN(C2=O)C)OC)C)C
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methylbenzenesulfonamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@@H]1OC)C)C)C
Compound: (4R,7S,8S)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: CCCNC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@H]1C)C)OC)C
Compound: N-[(5R,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=C3F)C)OC)C
Compound: (4R,7R,8R)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC)OC[C@H]1C)C)OC)C
Compound: 2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(4S,7S,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3
Compound: 4-fluoro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 1-(4-methoxyphenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5S,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=C3F)C)OC)C
Compound: 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN[C@@H](CO2)C)C)OC)C
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C)C)OC)C
Compound: N-[(4S,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C
Compound: N-[(4R,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C
Compound: 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C
Compound: 4-fluoro-N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C
Compound: N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(4S,7R,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C
Compound: (4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-[[oxo-(propan-2-ylamino)methyl]amino]-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C
Compound: 4-fluoro-N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C
Compound: 1-(3-fluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CC3=CC=CC=C3F)C)OC)C
Compound: N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C
Compound: 1-[(5R,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[2-(4-morpholinyl)-1-oxoethyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN3CCOCC3)C)OC)C
Compound: N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C
Compound: 4-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C)C)OC)C
Compound: 1-(4-chlorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4
Compound: N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CC=NC=C5
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@H](CO2)C)C)OC)C
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C
Compound: 1-(4-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5S,6S,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3=CC=CC=C3F)C)OC)C
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C
Compound: N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@H]([C@@H](CN(C2=O)C)OC)C)C
Compound: N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C(=O)C3=CC=CC=N3)C)OC)C
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=CC=N3)C)OC)C
Compound: (4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-[[oxo-(propan-2-ylamino)methyl]amino]-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=CC=C3F)C)OC)C
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methylbenzenesulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)C
Compound: 4-fluoro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C