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Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STL526858
Synonyms: 4-[hydroxy(2-phenylethyl)phosphoryl]isovaline
Smiles: OC(=O)C(CCP(=O)(CCc1ccccc1)O)(N)C
STL526859
Synonyms: (12bS)-12b-methyl-2-(2-phenylethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CCc2ccccc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526860
Synonyms: 4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(c3ccccc3)CC(=O)O)/CC[C@]12C
STL526861
Synonyms: (12bS)-2-(4-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526862
Synonyms: methyl5-chloro-3-({[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)Cl
STL526863
Synonyms: (3bR,4aR)-N-ethyl-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: CCNC(=S)N1N=C(C2C1(O)C[C@@H]1[C@H]2C1(C)C)C
STL526865
Synonyms: 2-methylbut-3-yn-2-yl[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetate
Smiles: C#CC(OC(=O)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)(C)C
STL526866
Synonyms: 2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CC(C)N(CC3C)C)c3ccccc3)/CC[C@]12C
STL526867
Synonyms: 4-methoxy-N-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL526868
Synonyms: methyl5-chloro-3-({[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)OC)OC)cc(cc2)Cl
STL526869
Synonyms: (6aR,6bS,9aR,10S)-8-(4-acetylphenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
STL526870
Synonyms: 4-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)phenol
Smiles: Oc1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1
STL526871
Synonyms: methyl13-hydroxy-3,3-dimethyl-1-oxo-2,3,4,6,7,11b-hexahydro-1H-isoquino[2,1-a]quinoline-12-carboxylate
Smiles: COC(=O)C1=C(O)C2=C(N3C1c1ccccc1CC3)CC(CC2=O)(C)C
STL526872
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpent-4-yn-2-ol
Smiles: COc1c2c(CCN(C2C#CCC(O)(C)C)C)cc2c1OCO2
STL526873
Synonyms: O-{2-[hydroxy(2-phenylethyl)phosphoryl]ethyl}homoserine
Smiles: OC(=O)C(CCOCCP(=O)(CCc1ccccc1)O)N
STL526874
Synonyms: 1-ethyl-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)urea
Smiles: CCNC(=O)NC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526875
Synonyms: (12aS)-2-benzyl-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2ccccc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526876
Synonyms: 1-(3-chlorophenyl)-5-(4-methoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl
STL526877
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-(1,3-benzodioxol-5-ylcarbonyl)-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)c1ccc2c(c1)OCO2
STL526878
Synonyms: (8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCC(C1)(C)C
STL526879
Synonyms: 1-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)Br)C1NCCc2c1[nH]c1c2cc(cc1)OC
STL526880
Synonyms: (3E,6S)-3-(2-chlorobenzylidene)-6-(2-methylpropyl)piperazine-2,5-dione
Smiles: CC(C[C@@H]1NC(=O)/C(=C\c2ccccc2Cl)/NC1=O)C
STL526881
Synonyms: (1R,5S)-3-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526882
Synonyms: N-hydroxy-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenylethanimine
Smiles: O/N=C(/c1ccccc1)\CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL526883
Synonyms: 1-benzyl-6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]pyrimidine-2,4(1H,3H)-dione
Smiles: COc1c2c(CCN(C2CC(=O)c2c(=O)[nH]c(=O)n(c2O)Cc2ccccc2)C)cc2c1OCO2
STL526884
Synonyms: (12bS)-2-benzyl-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526885
Synonyms: (12aS)-2-hexyl-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526886
Synonyms: (3bS,4aR)-N-ethyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: CCNC(=S)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL526887
Synonyms: 3-(1-benzylpiperidin-2-yl)pyridine
Smiles: c1ccc(cc1)CN1CCCCC1c1cccnc1
STL526888
Synonyms: (6aS,10aS,12aS)-10a,12a-dimethyl-1,3-dioxooctadecahydronaphtho[2,1-f]isoquinolin-8-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC(=O)NC2=O)C)C
STL526889
Synonyms: N'-[(3Z)-5-bromo-1-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene]pyridine-3-carbohydrazide
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CN1c2ccc(cc2/C(=N/NC(=O)c2cccnc2)/C1=O)Br
STL526890
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526891
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(2,6-dichlorophenyl)carbamate
Smiles: O=C(Nc1c(Cl)cccc1Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526892
Synonyms: N-[4-(dimethylamino)benzyl]-N-{3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}acetamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccc(cc1)N(C)C
STL526893
Synonyms: (8xi,9xi,14xi,17xi)-20-oxopregn-5-en-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)C1)C)CCN1CCCC(C1)(C)C
STL526894
Synonyms: (5E)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)C)cc2c1OCO2
STL526895
Synonyms: (12aS)-2-(5-hydroxypentyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526896
Synonyms: 2-methyl-5-{4-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]phthalazin-1-yl}benzenesulfonamide
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)c1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N)C
STL526897
Synonyms: N-(pyridin-2-ylmethyl)-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCc3ccccn3)/CC[C@]12C
STL526899
Synonyms: 2,5-dichloro-3-[(2-hydroxy-3-phenoxypropyl)amino]-4,4-dimethoxy-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
Smiles: COC1(OC)C(=C(C(=O)C1(Cl)CC=C)Cl)NCC(COc1ccccc1)O
STL526900
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C
STL526901
Synonyms: (1'R,3R,3'R)-1'-[(3,4-dimethoxyphenyl)carbonyl]-3'-[(3,4,5-trimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cc(OC)c(c(c1)OC)OC
STL526902
Synonyms: benzyl2-(acetylamino)-2-deoxy-3-O-(phenylcarbonyl)-6-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-galactopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H]([C@H]([C@H]2O)OC(=O)c2ccccc2)NC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
STL526904
Synonyms: (12bS)-12b-methyl-2-pentyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526905
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl3-(3,3-dimethylpiperidin-1-yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCCC(C1)(C)C
STL526906
Synonyms: 1-(4-ethylphenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)CC)C)cc2c1OCO2
STL526907
Synonyms: 3-phenyl-1-(piperidin-1-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)N1CCCCC1)C
STL526908
Synonyms: 4-({[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoicacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCc3ccc(cc3)C(=O)O)/CC[C@]12C
STL526909
Synonyms: 1-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Cl)C)C1NCCc2c1[nH]c1c2cccc1
STL526910
Synonyms: N-{3-methyl-2-[(phenylcarbonyl)amino]but-2-enoyl}-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)C(=C(C)C)NC(=O)c1ccccc1
STL526911
Synonyms: (8aS)-2-(2-chlorobenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1CCC2)Cc1ccccc1Cl
STL526912
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCCc3c[nH]c4c3cccc4)/CC[C@]12C
STL526913
Synonyms: 8-chloro-3-({(E)-[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: Clc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/C1=CC[C@H](CC1)C(=C)C
STL526914
Synonyms: (2E)-2-(3,3-dimethyl-1-oxo-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-ylidene)hydrazinecarboxamide
Smiles: NC(=O)N/N=C/1\CC2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1
STL526915
Synonyms: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-3-nitrophenylalanine
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(c3cccc(c3)[N+](=O)[O-])O)C(=O)O)/CC[C@]12C
STL526916
Synonyms: (5alpha,8xi,9xi,14xi)-17-(methylamino)androstan-3-ol
Smiles: CNC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)O
STL526917
Synonyms: 4-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoicacid
Smiles: COc1cc(OC)ccc1C1N(CCCC(=O)O)C(=O)C(=C1C(=O)C)O
STL526918
Synonyms: 1-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylicacid
Smiles: NC(=O)C1CCCc2c1[nH]c1c2cccc1C(=O)O
STL526919
Synonyms: (8aS)-2-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Smiles: O=C1N(Cc2ccccc2)CC(=O)N2[C@H]1CCC2
STL526920
Synonyms: 6,8-dichloro-9-(dimethylamino)-1,4-dioxaspiro[4.4]non-8-en-7-one
Smiles: CN(C1=C(Cl)C(=O)C(C21OCCO2)Cl)C
STL526922
Synonyms: (5R)-3-(2-methylacryloyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CC(=C)C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL526924
Synonyms: (12aS)-2-(2-chlorobenzyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C)Cc1ccccc1Cl
STL526925
Synonyms: (3S,7S)-7,14-dihydroxy-16-methoxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
Smiles: COc1cc(O)cc2c1C(=O)O[C@@H](C)CCC[C@H](CCCCC2)O
STL526926
Synonyms: (12aS)-2-[3-(dimethylamino)propyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CN(CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
STL526927
Synonyms: ethylbeta-hydroxy-N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: CCOC(=O)C(C(c1ccccc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL526928
Synonyms: (11aS)-2-(4-methoxyphenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL526929
Synonyms: N-tert-butyl-2-methyl-5-{4-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]phthalazin-1-yl}benzenesulfonamide
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)c1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC(C)(C)C)C
STL526930
Synonyms: (12aS)-2-(butan-2-yl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCC(N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
STL526931
Synonyms: (12bS)-12b-methyl-2-propyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526932
Synonyms: (12aS)-6,6-dimethyl-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
STL526933
Synonyms: ethyl5-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC#CC1N(C)CCc3c1c(OC)c1c(c3)OCO1)cc2)C
STL526934
Synonyms: 9,10-dimethoxy-2,2,11b-trimethyl-4-(methylsulfanyl)-1,6,7,11b-tetrahydro-2H-pyrimido[6,1-a]isoquinoline
Smiles: CSC1=NC(C)(C)CC2(N1CCc1c2cc(c(c1)OC)OC)C
STL526935
Synonyms: (12aS)-2-(2-ethylhexyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCC(CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)CC
STL526936
Synonyms: (12bS)-2-(4-fluorobenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: Fc1ccc(cc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526937
Synonyms: 1-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1CCC1(CCOC(C1)(C)C)c1ccccc1
STL526938
Synonyms: 1,3-diethyl-6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1c2c(CCN(C2CC(=O)c2c(O)n(CC)c(=S)n(c2=O)CC)C)cc2c1OCO2
STL526939
Synonyms: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-oxo-4-[(pyridin-4-ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccncc1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526940
Synonyms: 4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCc3ccc(cc3)C(=O)O)/CC[C@]12C
STL526941
Synonyms: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorvaline
Smiles: CCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)C
STL526942
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-[(pyridin-4-ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccncc1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
STL526943
Synonyms: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
STL526944
Synonyms: (12bS)-2-hexyl-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL526945
Synonyms: (12aS)-6,6-dimethyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2ccncc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526946
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1c[nH]c2c1cccc2
STL526947
Synonyms: 5-{3-[(1-bromonaphthalen-2-yl)oxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2Br)cccc3)C)cc2c1OCO2
STL526948
Synonyms: N-[4-(dimethylamino)benzyl]-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
STL526950
Synonyms: 1-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)Br)C1NCCc2c1[nH]c1c2cccc1
STL526952
Synonyms: (12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cc(CCN2CC(=O)N3[C@H](C2=O)Cc2c(C3(C)C)[nH]c3c2cccc3)ccc1OC
STL526953
Synonyms: (3bR,4aR)-N-benzyl-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: CC1=NN(C2(C1[C@H]1[C@H](C1(C)C)C2)O)C(=S)NCc1ccccc1
STL526954
Synonyms: (8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-methylfurosta-5,20(22)-dien-3-ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C)C1)C
STL526955
Synonyms: methyl2-[(8R,8aR,11aS,11bS)-8-acetyl-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)C)C=Cc2c1cccc2
STL526956
Synonyms: 6-(benzyloxy)-1-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1ccc(cc1COc1cccc(c1C)C)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526957
Synonyms: 2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-{2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl}acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CC(C)N(CC3C)C)c3ccc(cc3)OC)/CC[C@]12C
STL526958
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyldiphenylacetate
Smiles: O=C(C(c1ccccc1)c1ccccc1)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526959
Synonyms: methyl1-[4-methoxy-3-(methoxymethyl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COCc1cc(ccc1OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)OC
STL526960
Synonyms: methyl4-(1-oxo-5-phenyl-3-thioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)N1C(=S)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL526961
Synonyms: (11aS)-2-(2-methoxyphenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccccc1N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL526962
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Smiles: N#C/C(=C\c1ccc(cc1)OC)/C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL526963
Synonyms: (5Z)-1-(3-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)F)C)cc2c1OCO2
STL526964
Synonyms: (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
STL526965
Synonyms: (7R,10R,13S,17R)-7-(acetylsulfanyl)-10,13-dimethyl-5'-oxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=C1)C[C@H](C1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)SC(=O)C)C
STL526966
Synonyms: methyl3-hydroxy-N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL526967
Synonyms: (3E)-4-(furan-2-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Smiles: COc1c2c(CCN(C2CC(=O)/C=C/c2ccco2)C)cc2c1OCO2
STL526968
Synonyms: (5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yldecanoate
Smiles: CCCCCCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL526969
Synonyms: 2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(3-nitrophenyl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2cccc(c2)[N+](=O)[O-])C)cc2c1OCO2
STL526970
Synonyms: (8xi,9xi,14xi,16alpha)-17-(acetylamino)androst-5-ene-3,16-diyldibutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2NC(=O)C)OC(=O)CCC)C)C1)C
STL526971
Synonyms: (8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl3-(morpholin-4-yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCOCC1
STL526972
Synonyms: 3-(2-methoxyphenyl)-1-(piperidin-1-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)N1CCCCC1
STL526973
Synonyms: (2E)-4-oxo-4-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]but-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL526974
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-{[4-(2-methylpropyl)phenyl]carbonyl}-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CC(Cc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3)C
STL526975
Synonyms: (11aS)-5,5-dimethyl-2-[3-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(c2cccc(c2)Oc2c(F)c(F)c(c(c2F)F)F)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL526976
Synonyms: 5-(2,4-dimethoxybenzyl)-1-(2-ethoxyphenyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccccc1N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1OC)OC
STL526977
Synonyms: (12aS)-2-(4-fluorobenzyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Fc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL526978
Synonyms: (12bS)-2-cyclopentyl-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCC2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526979
Synonyms: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(c3ccccc3)O)C(=O)O)/CC[C@]12C
STL526980
Synonyms: 5-{[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: C[C@@]12CC/C(=N\OCC(=O)NCCCCC(=O)O)/C=C2CCC2C1CC[C@]1(C2CC[C@@]1(O)C#C)C
STL526981
Synonyms: 1-benzyl-5-(naphthalen-1-ylmethyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(C(=O)N1Cc1ccccc1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
STL526982
Synonyms: 2-phenyl-5-(propan-2-yl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: CC(C1N2C(=S)N(C(=O)C2Cc2c1[nH]c1c2cccc1)c1ccccc1)C
STL526983
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(4-methylphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccc(cc2)C)C)cc2c1OCO2
STL526984
Synonyms: (3E)-4-({[(1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl]methyl}amino)pent-3-en-2-one
Smiles: C/C(=C\C(=O)C)/NC[C@@H]1[C@@H](C1(C)C)CC(O)(C)C
STL526985
Synonyms: 5-[(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]pentanoicacid
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCCCC(=O)O
STL526986
Synonyms: N-{(7S)-1,2,3-trimethoxy-10-[4-(2-methoxyphenyl)piperazin-1-yl]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N1CCN(CC1)c1ccccc1OC
STL526987
Synonyms: ({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL526988
Synonyms: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]c2c1cccc2
STL526989
Synonyms: 5-(1,3-benzodioxol-5-ylmethyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc2CCN([C@H](c2cc1OC)C)CC1(Cc2ccc3c(c2)OCO3)C(=O)N(C)C(=O)N(C1=O)C
STL526990
Synonyms: (3S,11E)-14-(benzyloxy)-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Smiles: O=C1CCC/C=C/c2cc(OCc3ccccc3)cc(c2C(=O)O[C@H](CCC1)C)O
STL526991
Synonyms: 6-(benzyloxy)-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Smiles: COc1cc(ccc1OC)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1
STL526992
Synonyms: N-(4-methoxyphenyl)-3-phenyl-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccc(cc1)OC(C)C)c1ccccc1
STL526993
Synonyms: 2-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylbenzamide
Smiles: O[C@H](c1ccccc1)CN(C(=O)c1ccccc1Br)C
STL526994
Synonyms: (5s,7s)-2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
Smiles: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3C1CCOC(C1)(C)C
STL526995
Synonyms: (3E,6S)-3-(4-methoxybenzylidene)-6-(2-methylpropyl)piperazine-2,5-dione
Smiles: COc1ccc(cc1)/C=C\1/NC(=O)[C@@H](NC1=O)CC(C)C
STL526996
Synonyms: (12bS)-2-[2-(1H-indol-3-yl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CCc2c[nH]c3c2cccc3)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL526997
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL526998
Synonyms: 5-(2,4-dimethoxyphenyl)-2-ethyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: COc1ccc(c(c1)OC)C1N2C(Cc3c1[nH]c1c3cccc1)C(=O)N(C2=S)CC
STL526999
Synonyms: (1'R,3R,3'R)-1'-acetyl-3'-[(3,4,5-trimethoxyphenyl)carbonyl]-3',3a'-dihydrospiro[indole-3,2'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3
STL527000
Synonyms: 7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carbonitrile
Smiles: N#CC1CC(=O)OC21CCOC(C2)(C)C
STL527002
Synonyms: 3-{[(benzylamino)(phenyl)methyl](hydroxy)phosphoryl}propanoicacid
Smiles: OC(=O)CCP(=O)(C(c1ccccc1)NCc1ccccc1)O
STL527003
Synonyms: 5-[3-(4-fluorophenoxy)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccc(cc2)F)C)cc2c1OCO2
STL527004
Synonyms: 4-oxo-4-{[(5alpha,8xi,9xi,14xi)-17-oxoandrostan-3-yl]oxy}butanoicacid
Smiles: OC(=O)CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C
STL527005
Synonyms: (11aS)-5,5-dimethyl-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(c2ccc(cc2)Oc2c(F)c(F)c(c(c2F)F)F)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527006
Synonyms: 5-(3,4-dimethoxybenzyl)-5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(ccc1OC)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
STL527007
Synonyms: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL527008
Synonyms: 3-amino-2,5-dichloro-4,4-dimethoxy-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
Smiles: C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)N)Cl
STL527009
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}propanoicacid
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C3CCOC(C3)(C)C)CC(=O)O)/CC[C@]12C
STL527010
Synonyms: methyl3-nitro-N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527011
Synonyms: 4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527012
Synonyms: (4-chlorophenyl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: Clc1ccc(cc1)C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL527013
Synonyms: 7-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}-2H-chromen-2-one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)oc(=O)cc3)C)cc2c1OCO2
STL527014
Synonyms: N-(4-methoxyphenyl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C
STL527015
Synonyms: (9R,10S,13S,17R)-9,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC[C@]1(C2CC=C2[C@]1(C)CCC1(C2)OCCO1)O
STL527016
Synonyms: 4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoicacid
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCC(c1ccccc1)CC(=O)O
STL527017
Synonyms: (12aS)-2-butyl-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527018
Synonyms: (5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C
STL527019
Synonyms: 3-(2-methoxyphenyl)-1-(morpholin-4-yl)-3-[4-(propan-2-yloxy)phenyl]propan-1-one
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)N1CCOCC1
STL527020
Synonyms: 2-[4-(2-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccccc1C1(CCOC(C1)(C)C)CC(=O)Nc1nccs1
STL527021
Synonyms: N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccc(cc1)OC(C)C)c1ccc(cc1)C
STL527022
Synonyms: 1,3-dimethyl-2,6-dioxo-5-(2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinolinium-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: [O-]c1c(c(=O)n(c(=O)n1C)C)C1c2ccccc2CC([NH+]1C)(C)C
STL527023
Synonyms: 1-(2-chlorophenyl)-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2Cl)C)cc2c1OCO2
STL527024
Synonyms: 3-[(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C
STL527025
Synonyms: 6-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoicacid
Smiles: COc1cc(OC)ccc1C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)C)O
STL527026
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl2-methylpropanoate
Smiles: O=C(C(C)C)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527027
Synonyms: (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@H]2C(=O)C)C=Cc2c1cccc2
STL527028
Synonyms: 5-(4-chlorobenzyl)-5-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Clc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1
STL527029
Synonyms: (7aS)-2-(4-methoxyphenyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)CCC2
STL527030
Synonyms: (12bS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1cc(CCN2CC(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2CC3)cccc4)ccc1OC
STL527031
Synonyms: (12bS)-12b-methyl-2-(prop-2-en-1-yl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: C=CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527032
Synonyms: 2-amino-8-phosphonooctanoicacid
Smiles: NC(C(=O)O)CCCCCCP(=O)(O)O
STL527033
Synonyms: [(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL527034
Synonyms: (8S,8aR,11aS,11bS)-10-(2,4-dimethoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)N
STL527035
Synonyms: 1,1,3-trimethyl-1,3-dihydrospiro[benzo[e]indole-2,2'-chromen]-6'-ol
Smiles: Oc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)c1ccccc1cc2
STL527036
Synonyms: (12aS)-2-(4-chlorobenzyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527037
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-(1,3-benzodioxol-5-ylcarbonyl)-7'-chloro-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2
STL527038
Synonyms: methylN-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527039
Synonyms: (4Z)-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/O)\C)/C(=O)C(=O)N1CCc1ccccc1
STL527040
Synonyms: (1S,5R)-2-[(1E)-N-(2-hydroxyphenyl)ethanimidoyl]-6,6-dimethylbicyclo[3.1.0]hex-2-en-3-ol
Smiles: OC1=C(/C(=N/c2ccccc2O)/C)[C@H]2[C@@H](C1)C2(C)C
STL527041
Synonyms: 2-(furan-2-yl)-3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}quinazolin-4(3H)-one
Smiles: CN1CCC[C@H]1c1cccnc1n1c(nc2c(c1=O)cccc2)c1ccco1
STL527042
Synonyms: (12aR)-2-hexyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527043
Synonyms: (10S,13S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol
Smiles: OC1C[C@@]2(C)C(C3C1[C@@]1(C)CCC4(CC1CC3)OCCO4)CCC2C1(C)OCCO1
STL527044
Synonyms: 7'-methoxy-2,2-dimethyl-2'-phenyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccccc1
STL527045
Synonyms: 6-[2-(furan-2-yl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2c(OC)cccc2C2N1N=C(C2)c1ccco1
STL527046
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCN(C)C)/O
STL527047
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-4-methoxy-N-[(4-methoxyphenyl)carbonyl]benzamide
Smiles: COc1ccc(cc1)C(=O)N(C(=O)c1ccc(cc1)OC)N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527048
Synonyms: (6E,9xi,17xi,20xi)-6-(hydroxyimino)cholesta-7,14-diene-2,3,20,22,25-pentol
Smiles: O/N=C/1\C=C2C([C@@]3(C1CC(O)C(C3)O)C)CC[C@]1(C2=CCC1C(C(CCC(O)(C)C)O)(O)C)C
STL527049
Synonyms: (5R,10S,11R,13S)-17-acetyl-11-hydroxy-10,13-dimethyltetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-1(2H)-one
Smiles: O[C@@H]1C[C@@]2(C)C(C3C1[C@]1(C)[C@H](CC3)CC3(CC1=O)OCCO3)CCC2C(=O)C
STL527050
Synonyms: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527051
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(2,5-dimethoxyphenyl)carbamate
Smiles: COc1ccc(cc1NC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)OC
STL527052
Synonyms: methylN-(benzylcarbamoyl)-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)NCc1ccccc1
STL527053
Synonyms: (12aR)-6-phenyl-2-(prop-2-en-1-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: C=CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527054
Synonyms: 3-[(2,7,7-trimethylbicyclo[4.1.0]hept-1-en-3-yl)amino]cyclohex-2-en-1-one
Smiles: O=C1CCCC(=C1)NC1CCC2C(=C1C)C2(C)C
STL527055
Synonyms: (11aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527056
Synonyms: (8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl3-(morpholin-4-yl)propanoate
Smiles: CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)CCN1CCOCC1)C)C
STL527057
Synonyms: (6aR,6bS,9aR,10S)-8-(2,5-dimethoxyphenyl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccccc1)OC
STL527058
Synonyms: L-prolyl-L-asparticacid
Smiles: OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
STL527059
Synonyms: (11aR)-2-cyclohexyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1CN(C2CCCCC2)C(=O)[C@@H]2N1Cc1ccccc1C2
STL527060
Synonyms: (2,6-dimethoxypyridin-3-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Smiles: COc1nc(OC)ccc1C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL527061
Synonyms: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2,4-dimethoxybenzamide
Smiles: COc1cc(OC)ccc1C(=O)NCC1OCCc2c1cccc2
STL527062
Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NC1CCOC(C1)(C)C
STL527063
Synonyms: ethyl(8S,8aR,11aS,11bS)-10-(2,4-dimethoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxylate
Smiles: CCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1OC)OC
STL527064
Synonyms: N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-2-phenylacetamide
Smiles: O=C(NC(C1COc2c(O1)cccc2)C)Cc1ccccc1
STL527065
Synonyms: 6-phenyl-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CC2CCCO2)C(=O)C2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL527066
Synonyms: 3'-(3,4-dimethoxyphenyl)-5'-(phenylcarbonyl)spiro[indole-3,4'-[1,2]oxazol]-2(1H)-one
Smiles: COc1ccc(cc1OC)C1=NOC(C21C(=O)Nc1c2cccc1)C(=O)c1ccccc1
STL527067
Synonyms: 6-hydroxy-1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: Oc1c(C2NCCc3c2cccc3)c(=O)n(c(=O)n1C)C
STL527068
Synonyms: 1-{[({[(3Z,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]oxy}pyrrolidine-2,5-dione
Smiles: O=C(ON1C(=O)CCC1=O)CO/N=C\1/C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527069
Synonyms: (2E)-3-(2,4-dimethoxyphenyl)-1-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]prop-2-en-1-one
Smiles: COc1cc(OC)ccc1/C=C/C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL527070
Synonyms: (4E)-2-amino-5-phosphonopent-4-enoicacid
Smiles: OC(=O)C(C/C=C/P(=O)(O)O)N
STL527071
Synonyms: (1S)-7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolinium-6-olate
Smiles: COc1cc2c(cc1[O-])CC[NH+]([C@H]2C)CC(=O)c1c(C)[nH]c2c1cccc2
STL527072
Synonyms: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-methylbutanamide
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CC(C)C
STL527073
Synonyms: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
STL527074
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527075
Synonyms: N~2~-acetyl-N-(benzylcarbamoyl)isoleucinamide
Smiles: CCC(C(C(=O)NC(=O)NCc1ccccc1)NC(=O)C)C
STL527076
Synonyms: 8-(benzylamino)-9-pentofuranosyl-9H-purin-6-ol
Smiles: OCC1OC(C(C1O)O)n1c(NCc2ccccc2)nc2c1ncnc2O
STL527077
Synonyms: 4-oxo-4-{[(5xi,9xi,13xi,17xi,18xi)-28-oxo-19,28-epoxyoleanan-3-yl]oxy}butanoicacid
Smiles: OC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC3=O)C(C)(C)CC1)C)C
STL527078
Synonyms: 2'-(3,4-dimethoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(ccc1OC)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
STL527079
Synonyms: (1'R,2'S,3R)-1'-[(4-chlorophenyl)carbonyl]-2'-(pyridin-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1
STL527080
Synonyms: 5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-1,3-dimethyl-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Cc1[nH+]cc2c(c1O)C(OC2)c1c([O-])n(C)c(=S)n(c1=O)C
STL527081
Synonyms: (8S,8aR,11aS,11bS)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc2c(c1)OCCO2)c1ccccc1
STL527082
Synonyms: 3-phenyl-3-[4-(propan-2-yloxy)phenyl]propanoicacid
Smiles: OC(=O)CC(c1ccccc1)c1ccc(cc1)OC(C)C
STL527083
Synonyms: 9'-bromo-2'-(2,4-dimethoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCOC(C1)(C)C
STL527084
Synonyms: N-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-2-methyl-5-nitroaniline
Smiles: COc1c2c(CCN(C2C#CCNc2cc(ccc2C)[N+](=O)[O-])C)cc2c1OCO2
STL527085
Synonyms: 1,3-diethyl-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCn1c([O-])c(c(=O)n(c1=S)CC)C1OCc2c1c(O)c([nH+]c2)C
STL527086
Synonyms: (8xi,9xi)-20-oxopregna-5,14,16-trien-3-ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3=CC=C2C(=O)C)C)C1)C
STL527087
Synonyms: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl(5-chloro-2,4-dimethoxyphenyl)carbamate
Smiles: COc1cc(OC)c(cc1NC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)Cl
STL527088
Synonyms: N'-[(E)-furan-2-ylmethylidene]-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1ccco1
STL527090
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CC1(C)OCCC2(C1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2
STL527091
Synonyms: (12aR)-2-(4-methylbenzyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527092
Synonyms: 3,4,6-tri-O-acetyl-2-({[2-(benzyloxy)phenyl]carbonyl}amino)-2-deoxy-1-O-(phenylacetyl)-D-glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)Cc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccccc1OCc1ccccc1
STL527093
Synonyms: N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]propanoyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)C(Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)C)C
STL527094
Synonyms: (12bS)-12b-methyl-2-(3-propoxypropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCOCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527095
Synonyms: N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]benzamide
Smiles: CCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)c1ccccc1
STL527096
Synonyms: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(NCc1cccnc1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527097
Synonyms: (4aR,6aS,10aR,11aS,13aS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-1H-indeno[2,1-a]phenanthren-2-ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@](C1)(O)C(C)CC1C2CC[C@]2([C@H]1C[C@@H]1C2(CCCC1)C(=O)C)C)C
STL527098
Synonyms: (4E)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccccc1OC
STL527099
Synonyms: (5alpha,6alpha,8xi,9xi,14xi,17alpha)-5,6-epoxypregn-20-yne-3,17-diol
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2C[C@H]2[C@@]3([C@]1(C)CCC(C3)O)O2
STL527100
Synonyms: 4-methoxy-6-methyl-N-(2-methylphenyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-carbimidothioate
Smiles: COc1c2OCOc2cc2c1C(/C(=N/c1ccccc1C)/[S-])[NH+](CC2)C
STL527101
Synonyms: L-prolyl-L-isoleucine
Smiles: CCC([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)C
STL527102
Synonyms: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C)NCCC1(CCOC(C1)(C)C)c1ccccc1
STL527103
Synonyms: (8xi,9xi,14xi)-3-oxoandrostan-17-yl3-(3,5-dimethylpiperidin-1-yl)propanoate
Smiles: CC1CN(CCC(=O)OC2CCC3[C@]2(C)CCC2C3CCC3[C@]2(C)CCC(=O)C3)CC(C1)C
STL527104
Synonyms: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-5,5,8-trimethylnona-3,7-dien-2-one
Smiles: COc1c2c(CCN(C2CC(=O)/C=C/C(CC=C(C)C)(C)C)C)cc2c1OCO2
STL527105
Synonyms: (11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: COc1cc(CCN2CC(=O)N3[C@@H](C2=O)Cc2c(C3)cccc2)ccc1OC
STL527106
Synonyms: L-prolyl-L-valine
Smiles: CC([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)C
STL527107
Synonyms: (12aR)-2-[3-(1H-imidazol-1-yl)propyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCCn2ccnc2)CC(=O)N2[C@@H]1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527108
Synonyms: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-N'-(4-phenylbutan-2-yl)ethanediamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)CNC(=O)C(=O)NC(CCc1ccccc1)C
STL527109
Synonyms: 2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/C=C/c1ccccc1
STL527110
Synonyms: ethyl(1S)-2-(chloroacetyl)-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylate
Smiles: CCOC(=O)[C@@]1(C)N(CCc2c1[nH]c1c2cccc1)C(=O)CCl
STL527111
Synonyms: 7,8-dimethoxy-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1cc2c(cc1OC)[nH]c1c2ncnc1N1CC2(CC1CC(C2)(C)C)C
STL527112
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccco1)/C(=O)N2CN1CCCCC1c1cccnc1
STL527113
Synonyms: N-[4-(dimethylamino)benzyl]-N-[3-(furan-2-yl)-3-phenylpropyl]propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccco1)c1ccccc1
STL527114
Synonyms: {[(1Z)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-1-(4-methylcyclohex-3-en-1-yl)ethylidene]amino}oxidanide
Smiles: [O-]/N=C(\C1CCC(=CC1)C)/CC1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1
STL527115
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1)OC
STL527116
Synonyms: N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
Smiles: O=C1/C(=N\NC(=O)c2ccco2)/c2c(N1CN1CCCCC1c1cccnc1)cccc2
STL527117
Synonyms: (5xi,9xi,13xi,17xi,18xi)-19,28-epoxyoleanan-3-yl(2E)-3-phenylprop-2-enoate
Smiles: O=C(OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C)/C=C/c1ccccc1
STL527118
Synonyms: N-[(4-methoxybenzyl)carbamoyl]-L-tryptophan
Smiles: COc1ccc(cc1)CNC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
STL527119
Synonyms: 4-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: Oc1nc([S-])[nH]c(=O)c1C1OCc2c1c(O)c([nH+]c2)C
STL527120
Synonyms: N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)NC(C(=O)O)Cc1ccccc1
STL527121
Synonyms: (11aS)-5,5-dimethyl-2-(3-methylphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Cc1cccc(c1)N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527122
Synonyms: 5-({[1-(5-carboxyfuran-2-yl)ethyl]sulfanyl}methyl)furan-2-carboxylicacid
Smiles: CC(c1ccc(o1)C(=O)O)SCc1ccc(o1)C(=O)O
STL527123
Synonyms: (11aR)-2-(2-phenylethyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1CN(CCc2ccccc2)C(=O)[C@@H]2N1Cc1ccccc1C2
STL527124
Synonyms: methyl{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527125
Synonyms: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrophenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527126
Synonyms: (1S,5S)-N-(3-methylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: Cc1cccc(c1)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527127
Synonyms: 2'-(1,3-benzodioxol-5-yl)-7'-methoxy-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc2c(c1)OCO2
STL527128
Synonyms: (4E)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)OC
STL527129
Synonyms: (1E,5R,10S,11R,13S,14S)-1-(hydroxyimino)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol
Smiles: O/N=C/1\CC2(OCCO2)C[C@@H]2[C@@]1(C)C1[C@H](O)C[C@]3([C@H](C1CC2)CCC3C1(C)OCCO1)C
STL527130
Synonyms: 2-(4-methoxyphenoxy)-N'-[(3Z)-2-oxo-1-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: COc1ccc(cc1)OCC(=O)N/N=C/1\C(=O)N(c2c1cccc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527131
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-2-methoxy-N-[(2-methoxyphenyl)carbonyl]benzamide
Smiles: COc1ccccc1C(=O)N(C(=O)c1ccccc1OC)N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527132
Synonyms: ethyl(1'S,2'R,3R,3a'S)-2-oxo-2'-(pyridin-4-ylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=C[C@H]2[C@]2([C@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1
STL527133
Synonyms: (12bS)-2-[2-(1H-imidazol-1-yl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CCn2cncc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL527134
Synonyms: 3-phenyl-3-[4-(propan-2-yloxy)phenyl]-1-(pyrrolidin-1-yl)propan-1-one
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)N1CCCC1)C
STL527135
Synonyms: (12bS)-12b-methyl-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(OCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C
STL527136
Synonyms: (12aR)-2-(4-chlorobenzyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527137
Synonyms: (4E)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1)C(C)C
STL527138
Synonyms: (5Z)-1-cyclohexyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)C2CCCCC2)C)cc2c1OCO2
STL527139
Synonyms: (5xi,9xi,13xi,17xi,18xi)-28-(acetyloxy)lup-20(29)-en-3-ylmethylbutanedioate
Smiles: COC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)COC(=O)C)C)C
STL527140
Synonyms: methyl2-acetyl-1-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccc(c(c1)OC)OC(C)C)[nH]c1c2cccc1
STL527141
Synonyms: N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-phenylacetohydrazide
Smiles: O=C(Cc1ccccc1)N/N=C/1\C(=O)N(c2c1cccc2)CN1CCCCC1c1cccnc1
STL527142
Synonyms: 1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)proline
Smiles: O=C(CCC(=O)N1CCCC1C(=O)O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL527143
Synonyms: (4E)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccc(c(c1)OC)O
STL527144
Synonyms: (11aR)-2-(2-chlorobenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1CN(Cc2ccccc2Cl)C(=O)[C@@H]2N1Cc1ccccc1C2
STL527145
Synonyms: 7'-methoxy-2,2-dimethyl-2'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1cccs1
STL527146
Synonyms: (12aR)-2-[3-(dimethylamino)propyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)C
STL527147
Synonyms: tert-butyl[(11aR)-1,4-dioxo-1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinolin-2-yl]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527148
Synonyms: 1-[(2,2-dimethylpropanoyl)oxy]-L-prolyl-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1OC(=O)C(C)(C)C)C
STL527149
Synonyms: (11aR)-2-(2-methoxybenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527150
Synonyms: (1S,5R)-2-{(1E)-N-[2-({(1Z)-1-[(1S,5R)-3-hydroxy-6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl]ethylidene}amino)ethyl]ethanimidoyl}-6,6-dimethylbicyclo[3.1.0]hex-2-en-3-ol
Smiles: C/C(=N/CC/N=C(/C1=C(O)C[C@@H]2[C@H]1C2(C)C)\C)/C1=C(O)C[C@@H]2[C@H]1C2(C)C
STL527151
Synonyms: 1-[(4aR,4bS,6aS,10aR,11aS,11bR)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,11,11a,11b,12-hexadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone
Smiles: OC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]3C2(CC=CC3)C(=O)C)C)C1)C
STL527152
Synonyms: 5-[(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)amino]pentanoicacid
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NCCCCC(=O)O
STL527153
Synonyms: 1-[(4aR,6aS,10aR,11aS)-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,11,11a,11b,12-octadecahydro-6bH-indeno[2,1-a]phenanthren-6b-yl]ethanone
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2([C@H]3C[C@@H]3C2(CCCC3)C(=O)C)C)C1)C
STL527154
Synonyms: (8S,8aR,11aS,11bS)-10-(2,5-dimethoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)N)C=Cc2c1cccc2)OC
STL527155
Synonyms: (12aR)-6-phenyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccncc2)C(=O)[C@@H]2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL527156
Synonyms: N-[(3-methylphenyl)carbamoyl]-L-tryptophan
Smiles: O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Nc1cccc(c1)C
STL527157
Synonyms: N'-[(3Z)-2-oxo-1-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]thiophene-2-carbohydrazide
Smiles: O=C(c1cccs1)N/N=C\1/c2ccccc2N(C1=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527158
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL527159
Synonyms: 2-({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-{2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl}acetamide
Smiles: COc1ccc(cc1)C1(CCNC(=O)CO/N=C/2\CC[C@]3(C(=C2)CCC2C3CC[C@]3(C2CCC3O)C)C)CC(C)N(CC1C)C
STL527161
Synonyms: 3-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527162
Synonyms: (5xi,9xi,13xi,17xi,18xi,28E)-28-(hydroxyimino)lup-20(29)-en-3-ol
Smiles: O/N=C/C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)O)C(=C)C
STL527163
Synonyms: (11aS)-2-dodecyl-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: CCCCCCCCCCCCN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527164
Synonyms: 5-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]pentanoicacid
Smiles: O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)NCCCCC(=O)O
STL527165
Synonyms: {[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}(phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527166
Synonyms: 4-phenyl-N-(1-phenylpropan-2-yl)tetrahydro-2H-pyran-4-carboxamide
Smiles: CC(NC(=O)C1(CCOCC1)c1ccccc1)Cc1ccccc1
STL527167
Synonyms: (4E)-4-(1-hydroxyethylidene)-5-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1
STL527168
Synonyms: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)OCO2)Br
STL527169
Synonyms: 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2ccc(cc2)Br)O)C)cc2c1OCO2
STL527170
Synonyms: 7-(benzyloxy)-3-(2-hydroxypropyl)-4-methyl-2H-chromen-2-one
Smiles: CC(Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccccc1)O
STL527171
Synonyms: (4aR,6aS)-7-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydroindeno[5,4-f]chromen-2(3H)-one
Smiles: O=C1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(=O)C)C)O1)C
STL527172
Synonyms: 4-[3-hydroxy-4-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butyl]-2-methoxyphenol
Smiles: COc1c2c(CCN(C2CC(CCc2ccc(c(c2)OC)O)O)C)cc2c1OCO2
STL527173
Synonyms: 4-hydroxy-1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)proline
Smiles: OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527174
Synonyms: L-prolyl-L-glutamicacid
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
STL527175
Synonyms: 1-benzyl-5-(3,4-dimethoxybenzyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1
STL527176
Synonyms: N-[3-(furan-2-yl)-3-phenylpropyl]-3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NCCC(c1ccco1)c1ccccc1
STL527177
Synonyms: 6-[(3Z)-2-(4-bromophenyl)-3-(1-hydroxyethylidene)-4,5-dioxopyrrolidin-1-yl]hexanoicacid
Smiles: OC(=O)CCCCCN1C(c2ccc(cc2)Br)/C(=C(/O)\C)/C(=O)C1=O
STL527178
Synonyms: (11aR)-2-[2-(4-methoxyphenyl)ethyl]-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527179
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-chloro-2'-[(3-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1[C@@H](C(=O)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)Cl
STL527180
Synonyms: (8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527181
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-[(4-bromophenyl)carbonyl]-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Br
STL527182
Synonyms: (6R,12aR)-2-(5-hydroxypentyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c([C@H]2c2ccccc2)[nH]c2c1cccc2
STL527183
Synonyms: (12aS)-2-(furan-2-ylmethyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(Cc2ccco2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527184
Synonyms: (5S)-5-(1H-indol-3-ylmethyl)-3-[4-(pentafluorophenoxy)phenyl]imidazolidine-2,4-dione
Smiles: O=C1N[C@H](C(=O)N1c1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F)Cc1c[nH]c2c1cccc2
STL527185
Synonyms: 7-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc2n(c1=O)CCCS2
STL527186
Synonyms: N-butyl-5,7-dimethyl-6-oxo-2,5,6,7-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxamide
Smiles: CCCCNC(=O)C12N=CNN=C2N(C(=O)N1C)C
STL527187
Synonyms: (4Z)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(c2ccccc2)N(C(=O)C1=O)c1ccc(cc1)OC)/O
STL527188
Synonyms: (4a''R,6a''S)-4a'',6a''-dimethyl-3'',4'',4a'',6'',6a'',8'',9'',9a'',9b'',10''-decahydro-2''H-dispiro[1,3-dioxolane-4,4'-[1,3]dioxolane-5',7''-indeno[5,4-f]chromene]-2'',5''(4b''H)-dione
Smiles: O=C1CC[C@]2(C(=CCC3C2C(=O)C[C@]2(C3CCC32OCOC23OCOC2)C)O1)C
STL527189
Synonyms: (1R,5S)-3-[(4,5-dimethylfuran-2-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1oc(c(c1)C)C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527190
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-[(3,4-dimethoxyphenyl)carbonyl]-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(c(c1)OC)OC
STL527191
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-(4-methoxyphenoxy)acetohydrazide
Smiles: COc1ccc(cc1)OCC(=O)N/N=C/1\C(=O)N(c2c1cc(Br)cc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527192
Synonyms: (11aR)-2-benzyl-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)[C@@H]2N1Cc1ccccc1C2
STL527193
Synonyms: 1,1'-(5xi,9xi,13xi,17xi,18xi)-lup-20(29)-ene-3,28-diyl4,4'-dimethyldibutanedioate
Smiles: COC(=O)CCC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)CCC(=O)OC)C(=C)C
STL527194
Synonyms: 3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N,N-dimethylprop-2-yn-1-amine
Smiles: COc1c2c(CCN(C2C#CCN(C)C)C)cc2c1OCO2
STL527196
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cc(OC)c(c(c1)OC)OC
STL527197
Synonyms: (11aR)-2-(4-methylbenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527198
Synonyms: (3-endo)-8-propyl-8-azabicyclo[3.2.1]oct-3-yl3,4-dimethoxybenzoate
Smiles: CCCN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)c1ccc(c(c1)OC)OC
STL527199
Synonyms: 6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1c2c(CCN(C2CC(=O)c2c(O)n(C)c(=S)n(c2=O)C)C)cc2c1OCO2
STL527200
Synonyms: (2R,6aS,12aS)-2-(3-bromoprop-1-en-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
Smiles: BrCC(=C)[C@@H]1Oc2c(C1)c1O[C@@H]3COc4c([C@@H]3C(=O)c1cc2)cc(c(c4)OC)OC
STL527201
Synonyms: 2,3-dimethoxy-6-[2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoicacid
Smiles: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC2c1ccc(c(c1C(=O)O)OC)OC
STL527202
Synonyms: 2-hydroxy-4-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527203
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)N/N=C/c1cccc(c1)Br
STL527204
Synonyms: N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527205
Synonyms: 3-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1',3'-dimethyl-3,4-dihydro-1H,2'H-spiro[naphthalene-2,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)C1Cc2ccccc2CC21C(=O)N(C)C(=O)N(C2=O)C
STL527206
Synonyms: 2-{[5-(butan-2-yl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}-1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Smiles: CCC(c1c(O)nc(nc1O)SCC(=O)N1CCc2c([C@@H]1C)cc(c(c2)OC)OC)C
STL527207
Synonyms: 4-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527208
Synonyms: (11aR)-2-(4-chlorobenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: Clc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527209
Synonyms: (6aR,6bS,9aR,10S)-8-(4-methoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N
STL527210
Synonyms: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
STL527211
Synonyms: 3-phenyl-N-{3-phenyl-3-[2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]propyl}-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCCC(c1ccccc1)C1CCOC(C1)C(C)C)C
STL527212
Synonyms: (12aS)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCC2=CCCCC2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527213
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]thiophene-2-carbohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1cccs1)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527214
Synonyms: (8S,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2
STL527215
Synonyms: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)glycyltryptophan
Smiles: O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527216
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-[(4-fluorophenyl)carbonyl]-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)F
STL527217
Synonyms: 6-[2-(4-bromophenyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1cccc2c1OC(N1C2CC(=N1)c1ccc(cc1)Br)c1ccc(c(c1C(=O)O)OC)OC
STL527218
Synonyms: (8S,8aR,11aS,11bS)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: NC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2
STL527219
Synonyms: (4E)-5-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(cc1OC)OC
STL527220
Synonyms: methyl2-[(8S,8aR,11aS,11bS)-8-carbamoyl-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)N)C=Cc2c1cccc2
STL527221
Synonyms: ethyl(1'S,2'R,3R,3a'S)-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=C[C@H]2[C@]2([C@H]1C(=O)c1ccc(cc1)CC(C)C)C(=O)Nc1c2cccc1
STL527222
Synonyms: (1R,5S)-3-[(2-methylfuran-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1ccoc1C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527223
Synonyms: (1'R,2'S,3R)-2-oxo-N-phenyl-2'-(phenylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide
Smiles: O=C([C@@H]1N2c3ccccc3C=CC2[C@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)Nc1ccccc1
STL527224
Synonyms: methylN-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)NCCc1ccc(c(c1)OC)OC
STL527225
Synonyms: 2-amino-2-{2-[(2-carboxyethyl)(hydroxy)phosphoryl]ethyl}-3-methylbutanoicacid
Smiles: OC(=O)CCP(=O)(CCC(C(=O)O)(C(C)C)N)O
STL527226
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-N-(thiophen-2-ylcarbonyl)thiophene-2-carboxamide
Smiles: O=C(N(C(=O)c1cccs1)N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)c1cccs1
STL527227
Synonyms: (11aS)-2-(4-acetylphenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527228
Synonyms: (12aR)-2-(butan-2-yl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCC(N1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)C
STL527229
Synonyms: methyl(5xi,9xi,13xi,17xi,18xi)-3-{[(4-methylphenyl)sulfonyl]oxy}lup-20(29)-en-28-oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OS(=O)(=O)c1ccc(cc1)C)C(=C)C
STL527230
Synonyms: (12aR)-2-(3-butoxypropyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCOCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527231
Synonyms: 2-({[(5xi,9xi,13xi,17xi,18xi)-28-oxo-19,28-epoxyoleanan-3-yl]oxy}carbonyl)benzoicacid
Smiles: O=C1OC2C3C1(CC[C@@]1(C3CCC3[C@@]1(C)CCC1[C@]3(C)CCC(C1(C)C)OC(=O)c1ccccc1C(=O)O)C)CCC2(C)C
STL527232
Synonyms: 1-[(2,2-dimethylpropanoyl)oxy]-L-prolyl-L-asparticacid
Smiles: OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1OC(=O)C(C)(C)C
STL527233
Synonyms: 2-(acetylamino)-N-(benzylcarbamoyl)butanamide
Smiles: CCC(C(=O)NC(=O)NCc1ccccc1)NC(=O)C
STL527234
Synonyms: 2'-(4-bromophenyl)-7'-methoxy-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc(cc1)Br
STL527235
Synonyms: methyl5-[1-(dimethylamino)ethyl]furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)C(N(C)C)C
STL527236
Synonyms: methylN-[(4-acetylphenyl)carbamoyl]-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)C(=O)C
STL527237
Synonyms: N-[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]-2-methyl-4-nitroaniline
Smiles: COc1c2c(CCN(C2C#CCNc2ccc(cc2C)[N+](=O)[O-])C)cc2c1OCO2
STL527238
Synonyms: (12aR)-2-(3-methoxypropyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527239
Synonyms: (12aS)-2-[3-(1H-imidazol-1-yl)propyl]-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCCn2cncc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527240
Synonyms: L-prolyl-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)C
STL527241
Synonyms: 3-{(3aR,6R)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl}propanoicacid
Smiles: CC(CCC[C@H](C1CCC2[C@]1(C)CCC1C2CCC(=O)[C@]1(C)CCC(=O)O)C)C
STL527242
Synonyms: 3-{[(E)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-3-yl)methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/C1=CC2CC(C1)C2(C)C
STL527243
Synonyms: (3S,11E)-14-{2-hydroxy-3-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propoxy}-16-methoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-di
Smiles: COc1cc(OCC(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
STL527244
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O
STL527245
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-[(4-chlorophenyl)carbonyl]-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Cl
STL527246
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-N-(furan-2-ylcarbonyl)furan-2-carboxamide
Smiles: O=C(N(C(=O)c1ccco1)N1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)c1ccco1
STL527247
Synonyms: (4E)-4-(1-hydroxyethylidene)-5-phenylpyrrolidine-2,3-dione
Smiles: C/C(=C/1\C(=O)C(=O)NC1c1ccccc1)/O
STL527248
Synonyms: methyl1-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]prolinate
Smiles: COC(=O)C1CCCN1C(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527249
Synonyms: 6-[2-(2,5-dimethylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1cc(C)ccc1C
STL527250
Synonyms: (5E)-1-(4-bromophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)C)cc2c1OCO2
STL527251
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-phenylacetohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)Cc1ccccc1)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527252
Synonyms: N-(4-methoxyphenyl)-2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Oc1ccc2c(c1)c(C)cc(=O)o2)C
STL527253
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-chloro-2'-[(4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1[C@@H](C(=O)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)Cl
STL527254
Synonyms: (1S,2Z,5R)-2-(1-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: O=C1C[C@@H]2[C@H](/C/1=C(/N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)\C)C2(C)C
STL527255
Synonyms: (12aS)-2-(3-butoxypropyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527256
Synonyms: methyl1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527257
Synonyms: D-tyrosyl-L-alanylglycyl-D-prolylleucylglycinamide
Smiles: CC(CC(C(=O)NCC(=O)N)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)O)N)C)C
STL527258
Synonyms: (12bS)-2-(4-chlorobenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccc(cc1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527259
Synonyms: (11aR)-2-(4-methoxybenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527260
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-(furan-2-ylcarbonyl)-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccco1
STL527261
Synonyms: (3Z,12aS)-3-benzylidene-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N/C(=C\c2ccccc2)/C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527262
Synonyms: 2-(2,3-dimethoxyphenyl)-4-oxo-N-phenyl-3-propyl-3,4-dihydroquinazoline-1(2H)-carboxamide
Smiles: CCCN1C(=O)c2ccccc2N(C1c1cccc(c1OC)OC)C(=O)Nc1ccccc1
STL527263
Synonyms: (12a'S)-12a'-methyl-4'-(2-methyl-1,3-dioxolan-2-yl)dodecahydro-1'H,4'H-spiro[1,3-dioxolane-2,10'-[1,3a]methanocyclopenta[c]naphtho[2,1-e]oxepin]-3'-one
Smiles: O=C1OC2CC31C(CCC3C1(C)OCCO1)C1C2[C@@]2(C)CCC3(CC2CC1)OCCO3
STL527264
Synonyms: 7'-methoxy-2,2-dimethyl-2'-(naphthalen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc2c(c1)cccc2
STL527265
Synonyms: 2-methyl-6-phosphononorleucine
Smiles: OC(=O)C(CCCCP(=O)(O)O)(N)C
STL527266
Synonyms: 3-(4-ethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1OCc2c1c(O)c(nc2)C)O
STL527267
Synonyms: (1R,5aR,5bR,11aR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one
Smiles: O=C=NC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(=O)C3(C)C)C(=C)C
STL527268
Synonyms: (12aR)-2-[3-(morpholin-4-yl)propyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCCN2CCOCC2)CC(=O)N2[C@@H]1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527269
Synonyms: 2-({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]acetamide
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCC1(CC(C)N(CC1C)C)c1ccccc1
STL527270
Synonyms: (4Z)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2ccccc2)C(=O)C(=O)/C/1=C(/C=C/c1ccccc1)\O
STL527271
Synonyms: 2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Smiles: O=C(CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1)N/N=C/C=C/c1ccccc1
STL527272
Synonyms: 1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)proline
Smiles: O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)N1CCCC1C(=O)O
STL527273
Synonyms: 4-[(4-carboxyhexanoyl)amino]benzoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1ccc(cc1)C(=O)O
STL527274
Synonyms: (4Z)-1-butyl-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\O)/C)/C1c1ccc(c(c1)OC)OC
STL527275
Synonyms: 2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)cc(=O)n1C
STL527276
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]cn1
STL527277
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-2'-(1,3-benzodioxol-5-ylcarbonyl)-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2
STL527278
Synonyms: (11aS)-2-(4-methoxybenzyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527279
Synonyms: methylN-[(4-methoxybenzyl)carbamoyl]-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)NCc1ccc(cc1)OC
STL527280
Synonyms: methylN-[({[(3Z,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1cnc[nH]1)NC(=O)CO/N=C\1/C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527281
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527282
Synonyms: 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
Smiles: Cc1ncc2c(c1O)C(OC2)c1c(O)[nH]c(=O)n(c1=O)C
STL527283
Synonyms: methyl{1-[(2-methoxyphenyl)carbamoyl]-3-oxopiperazin-2-yl}acetate
Smiles: COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1OC
STL527284
Synonyms: 6-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoicacid
Smiles: COc1cccc2c1OC(N1C2CC(=N1)c1ccc2c(c1)OCO2)c1ccc(c(c1C(=O)O)OC)OC
STL527285
Synonyms: 2-(4-methoxyphenyl)-3-{3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1c1ncccc1[C@@H]1CCCN1C
STL527286
Synonyms: 2,4-dichloro-N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527287
Synonyms: (5E)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C/2\C(=O)NC(=O)N(C2=O)C)C)cc2c1OCO2
STL527288
Synonyms: tert-butyl{3-methyl-1-oxo-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentan-2-yl}carbamate
Smiles: CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)OC(C)(C)C)C
STL527289
Synonyms: methylN-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527290
Synonyms: 3-(8-chloro-5,9b-dihydro-4aH-pyrimido[5,4-b]indol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Clc1ccc2c(c1)C1N=CN=C(C1N2)N1CC2CC(C1)c1n(C2)c(=O)ccc1
STL527291
Synonyms: (8R,8aS,11aR,11bR)-10-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2c2ccccc2C=C1)C(=O)N
STL527292
Synonyms: (6aR,6bS,10S,11aR,12S)-12-[(4-chlorophenyl)carbonyl]-6a,6b,7,8,11a,12-hexahydro-7,10-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-11(10H)-one
Smiles: O=C1[C@H]2OC[C@H](O2)[C@H]2[C@@H]1[C@@H](C(=O)c1ccc(cc1)Cl)N1[C@@H]2C=Cc2c1cccc2
STL527293
Synonyms: 2-(4-methoxyphenoxy)-N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: COc1ccc(cc1)OCC(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1
STL527294
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@H]1[C@@H](C(=O)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC
STL527295
Synonyms: 2'-(furan-2-yl)-7'-methoxy-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccco1
STL527296
Synonyms: N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527297
Synonyms: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl(3-methylphenyl)carbamate
Smiles: O=C(OC1CCN2C1=Nc1ccccc1C2)Nc1cccc(c1)C
STL527298
Synonyms: 7'-methoxy-2'-(3-methoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc(c1)C1=NN2C(C1)c1cccc(c1OC12CCOC(C1)(C)C)OC
STL527299
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527300
Synonyms: (12aR)-2-cyclopentyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCC2)C(=O)[C@@H]2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL527301
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCN(C)C)/O
STL527302
Synonyms: (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazine-2,5-dione
Smiles: O=C1CN(CCc2ccccc2)C(=O)[C@@H](N1)Cc1c[nH]c2c1cccc2
STL527303
Synonyms: (10S,13S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11(2H)-one
Smiles: O=C1C[C@@]2(C)C(C3C1[C@@]1(C)CCC4(CC1CC3)OCCO4)CCC2C1(C)OCCO1
STL527304
Synonyms: methylN-[(3-methylphenyl)carbamoyl]-L-tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1cccc(c1)C
STL527305
Synonyms: (1'S,2'R,3R,3a'S)-2-oxo-2'-(phenylcarbonyl)-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide
Smiles: NC(=O)[C@H]1N2c3ccccc3C=C[C@H]2[C@]2([C@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1
STL527306
Synonyms: dimethyl4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Smiles: COC(=O)C1C(=O)CC(C(C1c1cccnc1)C(=O)OC)(C)O
STL527307
Synonyms: (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: C=CCN1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
STL527308
Synonyms: (12aR)-6-phenyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CC(C)(C)NC(C2)(C)C)C(=O)[C@@H]2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2
STL527309
Synonyms: 1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]ethanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(n1)O)CC
STL527310
Synonyms: (12aR)-2-pentyl-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527311
Synonyms: L-prolyl-L-phenylalanine
Smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
STL527312
Synonyms: (11aS)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(C2CCS(=O)(=O)C2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C
STL527313
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-4-(1-hydroxyethylidene)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(/O)\C)/C1c1ccc(c(c1)OC)OC
STL527314
Synonyms: methylN~2~-acetyl-N-(benzylcarbamoyl)-alpha-glutaminate
Smiles: COC(=O)CCC(C(=O)NC(=O)NCc1ccccc1)NC(=O)C
STL527315
Synonyms: (5S,10S,17R)-13-(hydroxymethyl)-10-methyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol
Smiles: OCC12CC(O)C3C(C1CC[C@H]2C1(C)OCCO1)CC[C@@H]1[C@]3(C)CCC2(C1)OCCO2
STL527316
Synonyms: 5-methyl-3-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylicacid
Smiles: O=C(Nc1c([nH]c2c1cc(C)cc2)C(=O)O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527317
Synonyms: 4-methoxy-6-methyl-5-[3-(morpholin-4-yl)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCN2CCOCC2)C)cc2c1OCO2
STL527318
Synonyms: (1R,5S)-3-[(5-tert-butyl-2-methylfuran-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1oc(cc1C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(C)(C)C
STL527319
Synonyms: 1-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(=O)[nH]c(=O)n(c1O)Cc1ccccc1
STL527320
Synonyms: (4E)-4-(1-hydroxyethylidene)-5-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(\O)/C)/C(=O)C(=O)N1Cc1cccnc1
STL527321
Synonyms: (12aR)-2-(4-methoxybenzyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527322
Synonyms: 1-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]proline
Smiles: OC(=O)C1CCCN1C(=O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C
STL527323
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2CCN(C(c2cc1OC)c1c(O)n(C)c(=O)n(c1=O)C)C(=O)C
STL527324
Synonyms: 1-(dimethylamino)propan-2-yl1-phenylcyclopentanecarboxylate
Smiles: CC(OC(=O)C1(CCCC1)c1ccccc1)CN(C)C
STL527325
Synonyms: 2-({2-[2-(8-methoxy-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc2c(c1)C1CN(CCC1N2)C(=O)CN1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2
STL527326
Synonyms: (12aS)-6,6-dimethyl-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2)C
STL527327
Synonyms: 5-{[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NCCCCC(=O)O)/CC[C@]12C
STL527328
Synonyms: (8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl3-(piperidin-1-yl)propanoate
Smiles: CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)CCN1CCCCC1)C)C
STL527329
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(cc1)O
STL527330
Synonyms: (12aR)-2-[3-(dibutylamino)propyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)CCCC
STL527331
Synonyms: ethyl6-ethyl-4,4-dimethyl-6-[(4-methylphenyl)carbonyl]-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Smiles: CCOC(=O)C12C(=O)OC(C1C2(CC)C(=O)c1ccc(cc1)C)(C)C
STL527332
Synonyms: beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O
STL527333
Synonyms: (1R,5R,1'S,5'S)-3,3'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyldicarbonyl)bis(1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one)
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)cc(cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527334
Synonyms: (12aR)-2-(2-methylpropyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)C
STL527335
Synonyms: (6aR,6bS,9aR,10S)-8-(1,3-benzodioxol-5-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)N)cccc3
STL527336
Synonyms: 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-1-methyl-4-oxo-1,4-dihydropyrimidine-2-thiolate
Smiles: O=c1nc([S-])n(c(c1C1OCc2c1c(O)c([nH+]c2)C)O)C
STL527337
Synonyms: N-(furan-2-ylmethyl)-3-phenyl-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CC(=O)NCc1ccco1)C
STL527338
Synonyms: 1-(butan-2-yl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCC(n1c(=S)[nH]c(=O)c(c1O)C1NCCc2c1cc(OC)c(c2)OC)C
STL527339
Synonyms: (10S)-13-[(E)-(hydroxyimino)methyl]-10-methyl-17-(2-methyl-1,3-dioxolan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ol
Smiles: O/N=C/C12CC(O)C3C(C1CCC2C1(C)OCCO1)CCC1[C@]3(C)CCC2(C1)OCCO2
STL527340
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(c(c1)OC)O
STL527341
Synonyms: (12aS)-2-(3-ethoxypropyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCOCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2
STL527342
Synonyms: benzene-1,4-diylbis[(3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)methanone]
Smiles: Cc1nn(c2c1C1C(C2)C1(C)C)C(=O)c1ccc(cc1)C(=O)n1nc(c2c1CC1C2C1(C)C)C
STL527343
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)CC(C)C
STL527344
Synonyms: 4-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-phenylbutanoicacid
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCC(c1ccccc1)CC(=O)O
STL527345
Synonyms: propan-2-yl2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanoate
Smiles: CC(OC(=O)C(Oc1ccc2c(c1)c(C)cc(=O)o2)C)C
STL527346
Synonyms: (12aR)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCC2=CCCCC2)CC(=O)N2[C@@H]1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527347
Synonyms: (12aR)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1NCC(=O)N2[C@@H]1Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527348
Synonyms: N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxyphenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O
STL527349
Synonyms: N'-[(3Z)-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
Smiles: O=C(c1ccco1)N/N=C\1/c2ccccc2N(C1=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527350
Synonyms: (12aR)-6-phenyl-2-[3-(propan-2-yloxy)propyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(OCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)C
STL527351
Synonyms: (11aR)-2-(4-fluorobenzyl)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: Fc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1
STL527352
Synonyms: 2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1
STL527353
Synonyms: 1-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-4-hydroxyproline
Smiles: OC1CC(N(C1)C(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)C(=O)O
STL527354
Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CC(C)CC(C1)C
STL527355
Synonyms: 1-[4-(3,4-dimethoxyphenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
Smiles: COc1cc(ccc1OC)C1c2c(C)onc2CC(C1C(=O)C)(C)O
STL527356
Synonyms: 2'-(2-chlorophenyl)-7'-methoxy-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccccc1Cl
STL527357
Synonyms: (6R,12aR)-2-(3-hydroxypropyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCN1CC(=O)N2[C@@H](C1=O)Cc1c([C@H]2c2ccccc2)[nH]c2c1cccc2
STL527358
Synonyms: (10S,11R,13S)-17-acetyl-10,13-dimethyl-1-oxohexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-ylacetate
Smiles: CC(=O)O[C@@H]1C[C@@]2(C)C(C3C1[C@]1(C)C(CC3)CC3(CC1=O)OCCO3)CCC2C(=O)C
STL527359
Synonyms: (9beta,11alpha,17xi)-3,11-dihydroxy-3,9-epoxypregnan-20-one
Smiles: CC(=O)C1CC[C@@H]2[C@]1(C)C[C@@H](O)[C@@]13[C@H]2CCC2[C@]3(C)CC[C@@](O1)(O)C2
STL527360
Synonyms: 1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-{[5-(diphenylmethyl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}ethanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(n1)O)C(c1ccccc1)c1ccccc1
STL527361
Synonyms: N-ethyl-5,7-dimethyl-6-oxo-2,5,6,7-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxamide
Smiles: CCNC(=O)C12N=CNN=C2N(C(=O)N1C)C
STL527362
Synonyms: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc(ccc1OC)CCn1c(=O)[nH]c(c(c1=O)C1N(C)CCc2c1c(OC)c1c(c2)OCO1)O
STL527363
Synonyms: methyl1-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL527364
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
STL527365
Synonyms: 5,7-dimethyl-6-oxo-N-propyl-2,5,6,7-tetrahydro-4aH-imidazo[4,5-e][1,2,4]triazine-4a-carboxamide
Smiles: CCCNC(=O)C12N=CNN=C2N(C(=O)N1C)C
STL527366
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]furan-2-carbohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccco1)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527367
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527369
Synonyms: 2'-(3-methoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc(c1)C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
STL527370
Synonyms: (1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-2'-[(4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1[C@@H](C(=O)C)N2[C@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC
STL527371
Synonyms: (12aR)-2-(3-methylbutyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2)C
STL527372
Synonyms: L-prolyl-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C
STL527373
Synonyms: 3-methylbutyl6-bromo-2-oxo-4-phenyl-3,4-dihydro-2H-chromene-3-carboxylate
Smiles: CC(CCOC(=O)C1C(=O)Oc2c(C1c1ccccc1)cc(cc2)Br)C
STL527374
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527375
Synonyms: (5S)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Smiles: O=C1N[C@H](C(=O)N1C1CCS(=O)(=O)C1)Cc1c[nH]c2c1cccc2
STL527376
Synonyms: (1'R,2'S,3R)-2'-[(3,4-dimethoxyphenyl)carbonyl]-2-oxo-N-phenyl-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinoline]-1'-carboxamide
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1[C@H](C(=O)Nc2ccccc2)N2C([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
STL527377
Synonyms: 6-[(4-bromophenyl)carbonyl]-5,5-diethyl-3,3-dimethyldihydro-2H-pyran-2,4(3H)-dione
Smiles: CCC1(CC)C(OC(=O)C(C1=O)(C)C)C(=O)c1ccc(cc1)Br
STL527378
Synonyms: methylN-(dodecylcarbamoyl)-L-tryptophanate
Smiles: CCCCCCCCCCCCNC(=O)N[C@H](C(=O)OC)Cc1c[nH]c2c1cccc2
STL527379
Synonyms: (8S,8aR,11aS,11bS)-9,11-dioxo-10-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C1N(c2ccccc2)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)N)N1[C@@H]2c2ccccc2C=C1
STL527380
Synonyms: (3S,11E)-16-methoxy-3-methyl-14-(oxiran-2-ylmethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Smiles: COc1cc(OCC2CO2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
STL527381
Synonyms: (5xi,9xi,13xi,17xi,18xi)-3-(acetyloxy)lup-20(29)-en-28-ylmethylbutanedioate
Smiles: COC(=O)CCC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)C)C(=C)C
STL527382
Synonyms: [(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)aceticacid
Smiles: O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
STL527383
Synonyms: ethyl6-ethyl-6-[(4-ethylphenyl)carbonyl]-4,4-dimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
Smiles: CCOC(=O)C12C(=O)OC(C1C2(CC)C(=O)c1ccc(cc1)CC)(C)C
STL527384
Synonyms: methylN-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
STL527385
Synonyms: 2-(acetylamino)-N-(4-bromophenyl)-2-deoxy-D-glucopyranosylamine
Smiles: OC[C@H]1OC(Nc2ccc(cc2)Br)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
STL527386
Synonyms: 5-{[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-5-(4-methoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C
STL527387
Synonyms: 4-methoxy-6-methyl-5-[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCN2CCCC2)C)cc2c1OCO2
STL527388
Synonyms: 2'-(2,4-dichlorophenyl)-7'-methoxy-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCOC(C1)(C)C)N1C2CC(=N1)c1ccc(cc1Cl)Cl
STL527389
Synonyms: 1-(2,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1cc(OC)c(cc1C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O)OC
STL527390
Synonyms: 5-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]pentanoicacid
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCCCC(=O)O
STL527391
Synonyms: 2'-(2,4-dimethoxyphenyl)-2,2-dimethyl-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1ccccc1OC12CCOC(C1)(C)C
STL527392
Synonyms: 3-(furan-2-yl)-10-hexanoyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCCCCC(=O)N1C(c2cc(OC)c(c(c2)OC)OC)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccco1
STL527393
Synonyms: (8xi,14xi,17alpha,19E)-19-{[2-(cyclohex-1-en-1-yl)ethyl]imino}-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCC1=CCCCC1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL527394
Synonyms: dipropan-2-yl4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Smiles: CC(OC(=O)C1C(=O)CC(C(C1/C=C/c1ccccc1)C(=O)OC(C)C)(C)O)C
STL527395
Synonyms: 4-methyl-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527396
Synonyms: (10aS)-2-(4-acetylphenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STL527397
Synonyms: (1'R,2'R)-2'-(4-hydroxy-3-methoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cc(ccc1O)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
STL527398
Synonyms: N-(4-ethoxy-2-nitrophenyl)-D-xylopyranosylamine
Smiles: CCOc1ccc(c(c1)[N+](=O)[O-])NC1OC[C@H]([C@@H]([C@H]1O)O)O
STL527399
Synonyms: (10aS)-2-cyclohexyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1C1CCCCC1
STL527400
Synonyms: (E)-1-(3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}phenyl)-N-hydroxymethanimine
Smiles: CCOc1cc(/C=N/O)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL527401
Synonyms: 1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
Smiles: CCOc1cc2c(cc1OCC)CC(=O)OC2c1ccc(c(c1)OC)OC
STL527402
Synonyms: methyl5-bromo-6-oxo-1-[(3S)-2-oxoazepan-3-yl]-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn([C@H]2CCCCNC2=O)c(=O)c(c1)Br
STL527403
Synonyms: (12aR)-6-(3-nitrophenyl)-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CC2CCCO2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527404
Synonyms: methyl4-[(12aR)-2-butyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: CCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2
STL527406
Synonyms: (11bS)-11b-methyl-2-[3-(pentafluorophenoxy)phenyl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Fc1c(Oc2cccc(c2)N2C(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2CC3)cccc4)c(F)c(c(c1F)F)F
STL527407
Synonyms: 2-methyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide
Smiles: CC(C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C
STL527408
Synonyms: N-[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-N-[4-(propan-2-yloxy)benzyl]acetamide
Smiles: CC(Oc1ccc(cc1)CN(C(=O)C)CCC(c1ccc2c(c1)OCO2)c1ccccc1)C
STL527409
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]leucine
Smiles: CC(CC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)C
STL527411
Synonyms: (12aS)-2-(2-methylpropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2)C
STL527412
Synonyms: 2,2-dimethyl-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)C(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C
STL527413
Synonyms: 3-ethoxy-4-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}benzaldehyde
Smiles: CCOc1cc(C=O)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1
STL527414
Synonyms: N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Smiles: CC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527415
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3
STL527416
Synonyms: (12aR)-2-(2-methylpropyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C
STL527417
Synonyms: (11aS)-2-(3-chlorophenyl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527419
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527420
Synonyms: dimethylN-[(3-methoxydibenzo[b,d]furan-2-yl)carbamoyl]-L-glutamate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc2c(cc1OC)oc1c2cccc1)CCC(=O)OC
STL527421
Synonyms: (12aR)-2-benzyl-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527422
Synonyms: 3-nitro-N-{2,2,2-trichloro-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527423
Synonyms: (11aR)-2-(3-methoxydibenzo[b,d]furan-2-yl)-5,5-dimethyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1cc2oc3c(c2cc1N1C(=O)[C@@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1)cccc3
STL527424
Synonyms: methyl(7S,10aR)-1,4-dimethoxy-7,10a-dimethyl-13-(propan-2-yl)-6,6a,7,8,9,10,10a,10b,11,12-decahydro-5H-4b,12-ethenochrysene-7-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC13C2CC(C(=C1)C(C)C)c1c3c(OC)ccc1OC)C
STL527425
Synonyms: 4,4'-(butane-1,4-diylbis{nitrilo(E)methylylidene[(9S,10R,13R,17S)-3,5,14-trihydroxy-13-methylhexadecahydro-10H-cyclopenta[a]phenanthrene-10,17-diyl]})difuran-2(5H)-one(non-preferredname)
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
STL527426
Synonyms: (8xi,14xi,17alpha,19E)-19-(decylimino)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Smiles: CCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
STL527428
Synonyms: N-[3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-N-[4-(propan-2-yloxy)benzyl]propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc2c(c1)OCO2)c1ccccc1
STL527429
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527430
Synonyms: dimethyl1,1'-propane-1,2-diylbis(5-bromo-6-oxo-1,6-dihydropyridine-3-carboxylate)
Smiles: COC(=O)c1cc(Br)c(=O)n(c1)CC(n1cc(cc(c1=O)Br)C(=O)OC)C
STL527431
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: C=CCn1c(=S)[nH]c(c(c1=O)C1N(CCc2c1cc(OC)c(c2)OC)C(=O)C)O
STL527432
Synonyms: methyl(3aS,6R)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: COC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)C)O2
STL527433
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)CC(=O)NCC1COc2c(O1)cccc2
STL527434
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanine
Smiles: O=C(NC(C(=O)O)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527435
Synonyms: propan-2-yl2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
Smiles: CC(OC(=O)C(Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1Cl)C)C
STL527437
Synonyms: (10aS)-2-(3-chlorophenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STL527438
Synonyms: 3-(1-methyl-1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)c1cn(c2c1cccc2)C
STL527439
Synonyms: 5-[3-(dibenzo[b,d]furan-2-yloxy)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)c2ccccc2o3)C)cc2c1OCO2
STL527440
Synonyms: 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=O)n(c1=O)c1ccc(cc1)Br
STL527441
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]alanine
Smiles: O=C(NC(C(=O)O)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527442
Synonyms: 1,4-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-1,4-dihydronaphthalen-2-ylacetate
Smiles: CC(=O)OC[C@H]1O[C@@H](SC2=C(OC(=O)C)C(=O)c3c(C2=O)cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
STL527443
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]methionine
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CCSC)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C
STL527444
Synonyms: 2-(2-methylphenoxy)-N-{2,2,2-trichloro-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)COc1ccccc1C
STL527445
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: C=CCn1c(=S)[nH]c(c(c1=O)C1NCCc2c1cc(OC)c(c2)OC)O
STL527446
Synonyms: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-{[2-(4-hydroxyphenyl)ethyl]imino}card-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccc(cc1)O)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL527447
Synonyms: 4-chloro-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527448
Synonyms: 3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propanoicacid
Smiles: OC(=O)CC(c1ccc(cc1)C)c1ccc(cc1)OC(C)C
STL527449
Synonyms: N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: O=C(c1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527450
Synonyms: (1S,5S)-8-oxo-N-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Smiles: O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(c1cccc(c1)C(=C)C)(C)C
STL527451
Synonyms: (12aS)-6-methyl-2-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2[C@H]1Cc1c(C2C)[nH]c2c1cccc2
STL527452
Synonyms: N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}formamide
Smiles: O=CNC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527453
Synonyms: 2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-5-(propan-2-yl)pyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(=O)[nH]1)C(C)C
STL527456
Synonyms: 3-methyl-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: Cc1cccc(c1)C(=O)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527459
Synonyms: N~2~-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]asparagine
Smiles: O=C(NC(C(=O)O)CC(=O)N)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527460
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(3,4-dimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(c(c1)OC)OC)C(=O)Nc1c2cccc1)cccc3
STL527461
Synonyms: 4-acetyl-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1)CCCn1cncc1
STL527464
Synonyms: 2-bromo-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1ccccc1Br)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527465
Synonyms: (11bS)-11b-methyl-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Fc1c(Oc2ccc(cc2)N2C(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2CC3)cccc4)c(F)c(c(c1F)F)F
STL527466
Synonyms: (12aS)-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(CC2CCCO2)C(=O)[C@H]2N1Cc1[nH]c3c(c1C2)cccc3
STL527467
Synonyms: 4-methoxy-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527468
Synonyms: (1S,5R)-3-(3-{(E)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: CCOCCCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cccc3)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)/C1=O
STL527471
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)C
STL527472
Synonyms: N-[3-(furan-2-yl)-3-(4-methoxyphenyl)propyl]thiophene-2-carboxamide
Smiles: COc1ccc(cc1)C(c1ccco1)CCNC(=O)c1cccs1
STL527473
Synonyms: 4-nitro-N-[2,2,2-trichloro-1-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)[N+](=O)[O-]
STL527474
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glutamicacid
Smiles: O=C(NC(C(=O)O)CCC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527475
Synonyms: 2-(4-fluorophenoxy)-N-{2,2,2-trichloro-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccc(cc1)F
STL527476
Synonyms: (12aR)-2-(3-methylbutyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C
STL527477
Synonyms: (1S,2Z,5R)-2-{1-[(2-hydroxyethyl)amino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: OCCN/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527478
Synonyms: (12aS)-2-(2-hydroxyethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527479
Synonyms: N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527480
Synonyms: (12aR)-2-(2-chlorobenzyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2Cl)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527481
Synonyms: (8xi,14xi,17alpha,19E)-19-[(cyanomethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Smiles: N#CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
STL527482
Synonyms: (3Z,11aR)-3-(4-methoxybenzylidene)-11,11a-dihydro-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione
Smiles: COc1ccc(cc1)/C=C/1\NC(=O)[C@@H]2N(C1=O)Cc1c(C2)cccc1
STL527483
Synonyms: (1R,5R)-3-[(3-methylfuran-2-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1ccoc1C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527484
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527485
Synonyms: dipropan-2-yl4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: Oc1cccc(c1)C1C(C(=O)OC(C)C)C(=O)CC(C1C(=O)OC(C)C)(C)O
STL527486
Synonyms: (8xi,14xi,17alpha,19E)-19-{[2-(4-fluorophenyl)ethyl]imino}-3,5,14-trihydroxycard-20(22)-enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCc1ccc(cc1)F
STL527487
Synonyms: (1'S,2'S,3S)-1'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1
STL527488
Synonyms: N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}naphthalene-1-carboxamide
Smiles: O=C(c1cccc2c1cccc2)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527489
Synonyms: N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}propanamide
Smiles: CCC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527490
Synonyms: 2-chloro-N-[2,2,2-trichloro-1-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1Cl
STL527491
Synonyms: 4-bromo-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: Brc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527492
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(diethylamino)ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CN(CC)CC
STL527493
Synonyms: (11bS)-11b-methyl-2-(3-methylphenyl)-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Cc1cccc(c1)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527494
Synonyms: 4-[3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoicacid
Smiles: COc1cc(ccc1O)C1N(c2ccc(cc2)C(=O)O)C(=O)C(=C1C(=O)C)O
STL527495
Synonyms: (12aR)-2-methyl-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(C)CC(=O)N2[C@@H]1Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527496
Synonyms: (8xi,14xi,17alpha,19E)-19-(decylimino)-3,5,14-trihydroxycard-20(22)-enolide
Smiles: CCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
STL527497
Synonyms: (2R,6R)-N,N-diethyl-2,3-dimethyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: CCN(C(=O)C1C(=O)N(C)[C@]2(C[C@H]1c1ccccc1O2)C)CC
STL527498
Synonyms: 3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoicacid
Smiles: COc1ccc(cc1)C(c1ccc2c(c1)OCO2)CC(=O)O
STL527499
Synonyms: (2'S,3S,3'S,10b'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3
STL527500
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
STL527501
Synonyms: (2R,6R)-2-methyl-N-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: C=CCN1C(=O)C(C(=O)Nc2ccc(cc2)C)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527502
Synonyms: (8xi,9xi,14xi)-3-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-yn-1-yl]oxy}estra-1,3,5(10)-trien-17-one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)CCC2C3CC[C@]3(C2CCC3=O)C)C)cc2c1OCO2
STL527503
Synonyms: (12aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1OC)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527504
Synonyms: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}cyclopropanecarboxamide
Smiles: ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl
STL527505
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-methoxybenzamide
Smiles: CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1ccc(cc1)OC
STL527506
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1,3-diphenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2c(cc1OC)CCN(C2c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)C(=O)C
STL527507
Synonyms: dipropan-2-yl4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: COC(=O)c1ccc(cc1)C1C(C(=O)OC(C)C)C(=O)CC(C1C(=O)OC(C)C)(C)O
STL527508
Synonyms: 6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
Smiles: CCOc1cc2c(cc1OCC)CC(=O)OC2c1ccc(cc1)OC
STL527509
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)C
STL527510
Synonyms: (11bS)-2-(3-chlorophenyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Clc1cccc(c1)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527511
Synonyms: (11bS)-2-(4-methoxybenzyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527512
Synonyms: N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]propanamide
Smiles: CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527513
Synonyms: (12aR)-6-(4-methoxyphenyl)-2-propyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)OC)[nH]c2c1cccc2
STL527514
Synonyms: 2-phenyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
STL527516
Synonyms: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
STL527518
Synonyms: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-(hydroxyimino)card-20(22)-enolide
Smiles: O/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
STL527519
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-yn-3-ol
Smiles: COc1cc(C)c(c(c1C)C)CCC(C#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)(O)C
STL527520
Synonyms: N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]acetamide
Smiles: CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527522
Synonyms: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Smiles: OCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
STL527523
Synonyms: (1'R,2'R)-2'-(3,4-dimethoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
STL527524
Synonyms: N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]naphthalene-1-carboxamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc2c1cccc2
STL527525
Synonyms: (10aS)-2-(3,4-dimethoxybenzyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: COc1ccc(cc1OC)CN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STL527526
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-fluorophenyl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)F
STL527527
Synonyms: N-[2,2,2-trichloro-1-({[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]butanamide
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL527528
Synonyms: 4-methyl-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527529
Synonyms: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanoicacid
Smiles: OC(=O)CC(c1ccc2c(c1)OCO2)Cc1ccccc1
STL527530
Synonyms: (8xi,14xi,17alpha)-5,14-dihydroxy-3,19-bis(nitrooxy)card-20(22)-enolide
Smiles: [O-][N+](=O)OC[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O[N+](=O)[O-]
STL527531
Synonyms: (2R,6R)-2-methyl-4-oxo-N-phenyl-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: C=CCN1C(=O)C(C(=O)Nc2ccccc2)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527532
Synonyms: 3-(butan-2-yl)-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one
Smiles: CCC(n1c(SCC(=O)N2CCc3c([C@@H]2C)cc(c(c3)OC)OC)nc(cc1=O)O)C
STL527533
Synonyms: 7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-4H-chromen-4-one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccccc1
STL527534
Synonyms: 5-cyclohexyl-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(=O)[nH]1)C1CCCCC1
STL527536
Synonyms: (11aR)-2-(3-methylphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: Cc1cccc(c1)N1C(=O)[C@@H]2N(C1=O)Cc1c(C2)c2ccccc2[nH]1
STL527537
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]cysteine
Smiles: SCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527539
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-4-chlorobenzohydrazide
Smiles: Brc1ccc2c(c1)/C(=N/NC(=O)c1ccc(cc1)Cl)/C(=O)N2CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527540
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]serine
Smiles: OCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527541
Synonyms: (2R,6R)-N,N-dibenzyl-2-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: C=CCN1C(=O)C(C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527542
Synonyms: (12aS)-2-butyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527543
Synonyms: (12aS)-2-(2-chlorobenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2Cl)C(=O)[C@H]2N1Cc1[nH]c3c(c1C2)cccc3
STL527544
Synonyms: (12aS)-2-(3-hydroxypropyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527545
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]serine
Smiles: OCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL527546
Synonyms: (1R,5R)-3-[(2-methyl-5-phenylfuran-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Cc1oc(cc1C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1
STL527547
Synonyms: (10aS)-2-phenyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1c1ccccc1
STL527548
Synonyms: 4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)butanoicacid
Smiles: OC(=O)CCCN1C(c2ccccc2)C(=C(C1=O)O)C(=O)C
STL527549
Synonyms: 3-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=S)n(c1=O)c1ccc(cc1)Br
STL527550
Synonyms: (11bS)-2-(4-acetylphenyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527551
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]leucine
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)CC(C)C)/CC[C@]12C
STL527552
Synonyms: ethyl4-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1ccc(cc1OC)OC)C(=O)C)O
STL527553
Synonyms: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]cyclopropanecarboxamide
Smiles: ClC(=CC1C(C1(C)C)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cl
STL527554
Synonyms: 2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-3-(2-methylphenyl)pyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)cc(=O)n1c1ccccc1C
STL527555
Synonyms: (1'S,2'S,3S)-1',2'-bis(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)c1ccccc1
STL527556
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-chlorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)cccc3
STL527558
Synonyms: (2R,6S)-3-(2-hydroxyethyl)-2-methyl-N-(2-methylphenyl)-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: OCCN1C(=O)C(C(=O)Nc2ccccc2C)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527560
Synonyms: 3-(1-methyl-1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)c1cn(c2c1cccc2)C
STL527561
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valine
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)C(C)C)/CC[C@]12C
STL527562
Synonyms: (1S,2Z,5R,1'S,2'Z,5'R)-2,2'-{propane-1,2-diylbis[imino(1Z)eth-1-yl-1-ylidene]}bis(6,6-dimethylbicyclo[3.1.0]hexan-3-one)
Smiles: CC(N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C)CN/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527563
Synonyms: 4-nitro-N-{2,2,2-trichloro-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL527565
Synonyms: 2-nitro-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1ccccc1[N+](=O)[O-])NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527567
Synonyms: (12aR)-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccco2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527569
Synonyms: 2-nitro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: O=C(c1ccccc1[N+](=O)[O-])NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527570
Synonyms: (11aR)-2-(4-acetylphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@@H]2N(C1=O)Cc1c(C2)c2ccccc2[nH]1
STL527571
Synonyms: (12aR)-2-(butan-2-yl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCC(N1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C
STL527574
Synonyms: (8xi,9xi,14xi,17xi)-20-methyl-20,21-epithiopregn-5-en-3-ol
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C2(C)CS2)C)C1)C
STL527575
Synonyms: 3-nitro-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-]
STL527576
Synonyms: 3-methyl-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}butanamide
Smiles: CC(CC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C
STL527577
Synonyms: N-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-2-({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetamide
Smiles: O=C(NCCC1(CCOC(C1)(C)C)c1ccccc1)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C
STL527578
Synonyms: 3-(4-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4H-chromen-4-one
Smiles: Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2CN1CCCCC1C)O
STL527579
Synonyms: (2R,6R)-N-tert-butyl-2-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: C=CCN1C(=O)C(C(=O)NC(C)(C)C)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527581
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(2,5-dimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC
STL527583
Synonyms: 1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COC(=O)c1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O
STL527584
Synonyms: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-19-[(furan-2-ylmethyl)imino]-5,14-dihydroxycard-20(22)-enolide
Smiles: O=C1OCC(=C1)[C@@H]1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccco1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O
STL527585
Synonyms: N-{2,2,2-trichloro-1-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}naphthalene-1-carboxamide
Smiles: O=C(c1cccc2c1cccc2)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527586
Synonyms: N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]furan-2-carboxamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccco1
STL527587
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]serine
Smiles: OCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527588
Synonyms: methyl(8R,10aS)-4-(furan-2-yl)-1,3-dimethyl-2,6-dioxo-1,3,4,6,6a,7,8,10b-octahydro-2H-8,10a-epoxypyrido[2,1-a]isoindole-7-carboxylate
Smiles: COC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N1C3C(C)C(=O)C(C1c1ccco1)C)O2
STL527589
Synonyms: 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydro-3H-isochromen-3-one
Smiles: CCOc1ccc(cc1)C1OC(=O)Cc2c1cc(OCC)c(c2)OCC
STL527590
Synonyms: 4,4'-(pentane-1,5-diylbis{nitrilo(E)methylylidene[(9S,10R,13R,17S)-3,5,14-trihydroxy-13-methylhexadecahydro-10H-cyclopenta[a]phenanthrene-10,17-diyl]})difuran-2(5H)-one(non-preferredname)
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
STL527591
Synonyms: 2-bromo-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: O=C(c1ccccc1Br)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527592
Synonyms: (12aR)-2-(4-methylbenzyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527594
Synonyms: 4-bromo-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: Brc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527595
Synonyms: 3-chloro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: Clc1cccc(c1)C(=O)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527596
Synonyms: 2-(4-fluorophenoxy)-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccc(cc1)F
STL527597
Synonyms: N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}butanamide
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527598
Synonyms: (1R,5R)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Brc1ccc(cc1)c1csc(n1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527599
Synonyms: 3-(2-chlorophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=O)n(c1=O)c1ccccc1Cl
STL527600
Synonyms: 7-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1cc2c(cc1OC)CCN(C2c1c(O)nc2n(c1=O)CCCS2)C(=O)C
STL527601
Synonyms: 2-phenyl-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2)Cc1ccccc1
STL527603
Synonyms: butyl(3aS,6R)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: CCCCOC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccc(cc1)C)O2
STL527604
Synonyms: (11bS)-2-(3,4-dimethoxybenzyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1cc(ccc1OC)CN1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527606
Synonyms: ethyl4-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527607
Synonyms: 3-fluoro-5-methyl-11-oxo-5,6,6a,11-tetrahydroisoindolo[2,1-a]quinoline-10-carboxylicacid
Smiles: Fc1ccc2c(c1)C(C)CC1N2C(=O)c2c1cccc2C(=O)O
STL527610
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-pentylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
STL527611
Synonyms: 3-(1,3-benzodioxol-5-yl)-N-benzyl-3-(4-methoxyphenyl)propan-1-amine
Smiles: COc1ccc(cc1)C(c1ccc2c(c1)OCO2)CCNCc1ccccc1
STL527612
Synonyms: 4-[(10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutane-1,1,2,2-tetracarbonitrile(non-preferredname)
Smiles: N#CC(C(CC(=O)C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)O)(C#N)C#N)C#N
STL527614
Synonyms: (8xi,14xi,17alpha,19E)-19-[(cyanomethyl)imino]-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide
Smiles: COC1CC(OC2CC[C@]3(C(C2)(O)CCC2[C@@H]3CC[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)/C=N/CC#N)OC(C1O)C
STL527615
Synonyms: (10aS)-2-(2-methoxyphenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: COc1ccccc1N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STL527616
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]glycine
Smiles: O=C(NCC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527617
Synonyms: 2-methoxy-N-(4-{[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: COc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1
STL527618
Synonyms: (6aS,6bR,9aS,10R)-10-[(4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@H]2N1c1ccccc1C=C2
STL527619
Synonyms: 5-benzyl-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(=O)[nH]1)Cc1ccccc1
STL527620
Synonyms: 4-methoxy-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527621
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-bromophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1)cccc3
STL527622
Synonyms: 4-chloro-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527623
Synonyms: 3-chloro-N-{2,2,2-trichloro-1-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: Clc1cccc(c1)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527624
Synonyms: 2-methyl-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]propanamide
Smiles: CC(C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C
STL527625
Synonyms: (2R,6R)-3-(2-hydroxyethyl)-2-methyl-N-(4-methylphenyl)-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: OCCN1C(=O)C(C(=O)Nc2ccc(cc2)C)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527626
Synonyms: (2R,6R)-2-methyl-N-(3-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: C=CCN1C(=O)C(C(=O)Nc2cccc(c2)C)[C@H]2C[C@@]1(C)Oc1c2cccc1
STL527628
Synonyms: (12aR)-2-butyl-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)OC)[nH]c2c1cccc2
STL527629
Synonyms: dipropan-2-yl4-hydroxy-2-(3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: COc1cccc(c1)C1C(C(=O)OC(C)C)C(=O)CC(C1C(=O)OC(C)C)(C)O
STL527630
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanine
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)C)/CC[C@]12C
STL527631
Synonyms: 3-chloro-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: Clc1cccc(c1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527632
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]cysteine
Smiles: SCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C
STL527633
Synonyms: 3-acetyl-1,3-thiazolidine-4-carboxylicacid
Smiles: CC(=O)N1CSCC1C(=O)O
STL527634
Synonyms: 2-({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-{2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}acetamide
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCC1(CCOC(C1)C(C)C)c1ccccc1
STL527635
Synonyms: ethyl(2'S,3'S)-2'-(4-methoxyphenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-3'-carboxylate
Smiles: CCOC(=O)[C@H]1N2N=Cc3c(C2[C@@]2([C@@H]1c1ccc(cc1)OC)C(=O)c1c(C2=O)cccc1)cccc3
STL527636
Synonyms: 4-methoxy-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527637
Synonyms: 2-[3-bromo-5-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl]-3-phenylpropanoicacid
Smiles: COC(=O)c1cn([C@H](C(=O)O)Cc2ccccc2)c(=O)c(c1)Br
STL527638
Synonyms: methyl[(11aS)-5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]acetate
Smiles: COC(=O)CN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1
STL527639
Synonyms: (3aS,6R)-2-[4-(ethoxycarbonyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: CCOC(=O)c1ccc(cc1)N1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)C(=O)O
STL527640
Synonyms: 2-(2-methylphenoxy)-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COc1ccccc1C
STL527641
Synonyms: (12aR)-2-cyclopentyl-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCC2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527642
Synonyms: 4-nitro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527643
Synonyms: 4-bromo-N-{2,2,2-trichloro-1-[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: Brc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527644
Synonyms: N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1
STL527645
Synonyms: 4-amino-1-(2,3-dihydroxypropyl)-5-fluoropyrimidin-2(1H)-one
Smiles: Nc1nc(=O)n(cc1F)CC(CO)O
STL527646
Synonyms: N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527647
Synonyms: (12aR)-2-(2-methoxybenzyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527649
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]threonine
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)C(O)C)/CC[C@]12C
STL527650
Synonyms: 3-(1,3-benzodioxol-5-yl)-N-(4-methoxybenzyl)-3-(4-methoxyphenyl)propan-1-amine
Smiles: COc1ccc(cc1)CNCCC(c1ccc2c(c1)OCO2)c1ccc(cc1)OC
STL527651
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-(furan-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3
STL527653
Synonyms: 2-methyl-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1C
STL527654
Synonyms: (12aR)-2-[2-(4-methoxyphenyl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527655
Synonyms: (12aR)-6-(4-methoxyphenyl)-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)OC)[nH]c2c1cccc2
STL527656
Synonyms: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydro-3H-isochromen-3-one
Smiles: CCOc1cc(ccc1OCC)C1OC(=O)Cc2c1cc(OCC)c(c2)OCC
STL527657
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(4-methoxyphenyl)-3-phenylpropanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccccc1)C1CCOC(C1)(C)C
STL527658
Synonyms: N-[(4-acetylphenyl)carbamoyl]-L-tryptophan
Smiles: O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Nc1ccc(cc1)C(=O)C
STL527659
Synonyms: (11bS)-11b-methyl-2-phenyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL527660
Synonyms: 2-bromo-N-[2,2,2-trichloro-1-({[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1Br
STL527661
Synonyms: (12aR)-6-(4-methoxyphenyl)-2-(3-methylbutyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CCC(C)C
STL527662
Synonyms: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(c(c1)OC)OC
STL527663
Synonyms: N-[4-(furan-2-yl)butan-2-yl]-2-oxo-2H-pyran-5-carboxamide
Smiles: CC(NC(=O)c1ccc(=O)oc1)CCc1ccco1
STL527664
Synonyms: (12aS)-2-(4-fluorobenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Fc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527665
Synonyms: (12aS)-2-benzyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)[C@H]2N1Cc1[nH]c3c(c1C2)cccc3
STL527666
Synonyms: 2-chloro-N-{2,2,2-trichloro-1-[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1ccccc1Cl)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527667
Synonyms: 2-phenyl-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
STL527669
Synonyms: 4-acetyl-3-hydroxyphenyl2,3,4,6-tetra-O-acetyl-beta-D-allopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc(c(c2)O)C(=O)C)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
STL527670
Synonyms: 4-chloro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: Clc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527671
Synonyms: methyl5-bromo-3-{[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCn3c4C1CCCc4c1c3ccc(c1)C)cc(cc2)Br
STL527672
Synonyms: 3-(3-chlorophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=O)n(c1=O)c1cccc(c1)Cl
STL527673
Synonyms: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]methionine
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CCSC)/C=C2CCC2C1CC[C@]1(C2CCC1O)C
STL527675
Synonyms: 4-[3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoicacid
Smiles: COc1ccc(cc1)C1N(CCCC(=O)O)C(=O)C(=C1C(=O)C)O
STL527676
Synonyms: methyl(7S,10aR)-14-hydroxy-1,4-dimethoxy-7,10a-dimethyl-13-(propan-2-yl)-6,6a,7,8,9,10,10a,10b,11,12-decahydro-5H-4b,12-ethanochrysene-7-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC13C2CC(C(C1O)C(C)C)c1c3c(OC)ccc1OC)C
STL527678
Synonyms: N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527679
Synonyms: (8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-19-(dodecylimino)-5,14-dihydroxycard-20(22)-enolide
Smiles: CCCCCCCCCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
STL527680
Synonyms: 10-hydroxy-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylicacid
Smiles: O=C1Oc2ccc(cc2C2C1C(Sc1c2sc(=O)[nH]1)C(=O)O)O
STL527681
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
STL527682
Synonyms: (2R,6R)-3-benzyl-2-methyl-N-(4-methylphenyl)-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)C1[C@H]2C[C@@](N(C1=O)Cc1ccccc1)(C)Oc1c2cccc1
STL527683
Synonyms: 4-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCCC(=O)O)C(=O)C(=C1C(=O)C)O
STL527684
Synonyms: ethyl(1S)-2-(cyclohexylcarbamoyl)-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1-carboxylate
Smiles: CCOC(=O)[C@@]1(C)N(CCc2c1[nH]c1c2cccc1)C(=O)NC1CCCCC1
STL527685
Synonyms: 3-[2-(cyclohex-1-en-1-yl)ethyl]-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=S)n(c1=O)CCC1=CCCCC1
STL527686
Synonyms: (10aS)-2-(3-methylphenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1
STL527687
Synonyms: 2-(2-ethylpiperidin-1-yl)-1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: CCC1CCCCN1CC(=O)N1CCc2c(C1)c1cc(OC)ccc1[nH]2
STL527688
Synonyms: 4-methyl-N-{2,2,2-trichloro-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}benzamide
Smiles: Cc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527689
Synonyms: (11bS)-11-methyl-11b-phenyl-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole
Smiles: Cn1c2ccccc2c2c1[C@]1(CCCN1CC2)c1ccccc1
STL527691
Synonyms: 3-nitro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2
STL527692
Synonyms: (12aR)-2-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Brc1ccc(c(c1)/C=N/N1CC(=O)N2[C@@H](C1=O)Cc1c(C2)[nH]c2c1cccc2)O
STL527693
Synonyms: (2'S,3R,3'S,7a'S)-2'-[(4-bromophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Brc1ccc(cc1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
STL527694
Synonyms: N-(4-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527695
Synonyms: (5Z)-1-(2-chlorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=S)N(C2=O)c2ccccc2Cl)C)cc2c1OCO2
STL527696
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)N2CCCCC2c2cccnc2)ccc1OC
STL527697
Synonyms: N-[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]-L-phenylalanine
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N[C@H](C(=O)O)Cc1ccccc1
STL527698
Synonyms: (1S,5R)-3-[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527699
Synonyms: 6,7-diethoxy-1-phenyl-1,4-dihydro-3H-isochromen-3-one
Smiles: CCOc1cc2c(cc1OCC)CC(=O)OC2c1ccccc1
STL527700
Synonyms: (12aR)-2-(5-hydroxypentyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527701
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)OC
STL527702
Synonyms: cyclopropyl[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C1CC1
STL527703
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-phenyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2
STL527704
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(2,4,6-trimethylphenyl)pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cc(C)c(c(c1)C)n1c(=O)[nH]c(c(c1=O)C1N(CCc2c1cccc2)C(=O)C)O
STL527705
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-bromophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2
STL527706
Synonyms: (12aR)-2-[3-(diethylamino)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)CC
STL527707
Synonyms: 3-(2-ethoxyphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccccc1n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O
STL527708
Synonyms: (1'R,2'R,3a'R)-2'-(4-methoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydrospiro[indene-2,3'-pyrrolo[2,1-b][1,3]benzothiazole]-1,3-dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)c1c(C3=O)cccc1)Sc1c2cccc1
STL527709
Synonyms: N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)NCc1ccccc1
STL527710
Synonyms: 4-methyl-2-{[3-methyl-2-({[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]carbonyl}amino)butanoyl]amino}pentanoicacid(non-preferredname)
Smiles: CC(CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C
STL527711
Synonyms: 2-bromo-N-(4-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: O=C(c1ccccc1Br)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527713
Synonyms: 5-(1,3-diethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1',3'-diethyl-4-methoxy-7,8-dihydro-2'H,5H-spiro[naphtho[2,3-d][1,3]dioxole-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CCN1C(=O)N(CC)C(=O)C(C1=O)C1c2c(CCC31C(=O)N(CC)C(=O)N(C3=O)CC)cc1c(c2OC)OCO1
STL527714
Synonyms: (12bS)-2-(4-fluorobenzyl)-9-methoxy-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)Cc1ccc(cc1)F
STL527715
Synonyms: 4-butyl-7-methyl-5-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H-chromen-2-one
Smiles: CCCCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)c1ccccc1)C
STL527716
Synonyms: (12aR)-2-butyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527717
Synonyms: (12aR)-2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CC1CCN(CC1)Cc1ccccc1
STL527718
Synonyms: 3-(2-chlorophenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccccc1n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O
STL527719
Synonyms: (12aR)-2-cyclohexyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(C2CCCCC2)C(=O)[C@@H]2N1C(c1ccc(cc1)C(C)C)c1c(C2)c2c([nH]1)cccc2
STL527720
Synonyms: N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)-4-(prop-2-en-1-yloxy)benzamide
Smiles: C=CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527721
Synonyms: 2-(2,3-dimethylphenoxy)-N'-[(3E)-2-oxo-1-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: O=C(COc1cccc(c1C)C)N/N=C\1/C(=O)N(c2c1cccc2)CN1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527722
Synonyms: 2-chloro-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: O=C(c1ccccc1Cl)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527723
Synonyms: 7,7-dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)Nc1ccccc1C
STL527724
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=O)n(c1=O)CCc1ccccc1
STL527725
Synonyms: (12aR)-2-(4-methoxybenzyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527726
Synonyms: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
Smiles: COc1ccccc1C(c1ccc2c(c1)OCO2)CCNCc1ccc2c(c1)OCO2
STL527727
Synonyms: N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)-4-propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527728
Synonyms: (12aR)-2-(1-benzylpiperidin-4-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@@H]1Cc1c(C2)[nH]c2c1cccc2)C1CCN(CC1)Cc1ccccc1
STL527729
Synonyms: 6-hydroxy-3-(2-phenylethyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: Oc1[nH]c(=O)n(c(=O)c1C1NCCc2c1cccc2)CCc1ccccc1
STL527730
Synonyms: (1S)-3-[2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc2c(c1)c(C(=O)CN1C[C@@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)c(n2Cc1ccccc1)C
STL527731
Synonyms: (5Z)-1-(2-chlorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2Cl)C)cc2c1OCO2
STL527732
Synonyms: methylN-[(4-methoxybenzyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(cc1)OC
STL527733
Synonyms: 2-butyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: CCCCN1C(=S)N2C(C1=O)Cc1c(C2c2ccc(cc2)OC)[nH]c2c1cccc2
STL527734
Synonyms: 3-benzyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: Oc1[nH]c(=S)n(c(=O)c1C1NCCc2c1cccc2)Cc1ccccc1
STL527736
Synonyms: methyl4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate
Smiles: CCOc1cc2c(cc1OCC)CC(=O)N(C2c1ccccc1)c1ccc(cc1)C(=O)OC
STL527738
Synonyms: methylN-(1,3-benzodioxol-5-ylcarbamoyl)-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2
STL527739
Synonyms: (12aR)-2-(3-methylbutyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2)C
STL527740
Synonyms: (12aR)-2-butyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527741
Synonyms: N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}furan-2-carboxamide
Smiles: S=C(N1CCCCC1c1cccnc1)NC(=O)c1ccco1
STL527742
Synonyms: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CC2(CC1CC(C2)(C)C)C)c1ccc(c(c1)OC)OC
STL527743
Synonyms: (2E)-3-(4-chlorophenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}prop-2-enamide
Smiles: O=C(NC(=S)N1CCCCC1c1cccnc1)/C=C/c1ccc(cc1)Cl
STL527744
Synonyms: ethyl1-(4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: CCOC(=O)C1NC(c2ccc(c(c2)CN2CCN(CC2)c2ccccc2OC)OC)c2c(C1)c1ccccc1[nH]2
STL527745
Synonyms: N-(furan-2-ylmethyl)-4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanamide
Smiles: O=C(CC(c1ccc(cc1)OC(C)C)C(C)C)NCc1ccco1
STL527746
Synonyms: ethyl4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1c1ccccc1)cc(c(c2)OCC)OCC
STL527747
Synonyms: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-(piperidin-1-yl)ethanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)CN1CCCCC1
STL527748
Synonyms: (12aR)-2-(4-methylbenzyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527749
Synonyms: (12aR)-6-(2-phenylethyl)-2-(prop-2-en-1-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: C=CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527750
Synonyms: 6-hydroxy-3-(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1ccccc1n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O
STL527751
Synonyms: (12aR)-2-(4-fluorobenzyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Fc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527752
Synonyms: 2-(naphthalen-1-yl)-N-[2,2,2-trichloro-1-({[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
STL527753
Synonyms: (5Z)-1-cyclohexyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=S)N(C2=O)C2CCCCC2)C)cc2c1OCO2
STL527754
Synonyms: N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}thiophene-2-carboxamide
Smiles: S=C(N1CCCCC1c1cccnc1)NC(=O)c1cccs1
STL527755
Synonyms: (2'S,3R,3'S,7a'S)-2'-[(3,4-dimethoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
STL527756
Synonyms: 3-butyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CCCCn1c(=S)[nH]c(c(c1=O)C1NCCc2c1[nH]c1c2cccc1)O
STL527757
Synonyms: (12bS)-9-methoxy-2-(2-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)Cc1ccccc1OC
STL527758
Synonyms: (1'R,2'S,7a'S)-2'-(phenylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indene-2,3'-pyrrolizine-1',3''-indole]-1,2'',3(1''H)-trione
Smiles: O=C([C@@H]1[C@@]2(C(=O)c3c(C2=O)cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2)c1ccccc1
STL527759
Synonyms: (1'R,2'R)-2'-(2,4-dimethoxyphenyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(c(c1)OC)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
STL527760
Synonyms: (12aR)-6-[4-(propan-2-yl)phenyl]-2-propyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527761
Synonyms: (11bS)-2-(2,4-dimethoxyphenyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3
STL527762
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CC(=O)N1CCc2c(C1c1c(O)n(C)c(=S)n(c1=O)C)cccc2
STL527763
Synonyms: methyl1-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)Cn2ncc(c2)[N+](=O)[O-])OC)c2c(C1)c1ccccc1[nH]2
STL527764
Synonyms: (10aS)-2-benzyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: O=C1N2Cc3ccccc3C[C@H]2C(=O)N1Cc1ccccc1
STL527766
Synonyms: (5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
STL527767
Synonyms: (12aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1OC)CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527768
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-methylphenyl)butan-1-amine
Smiles: Cc1ccc(cc1)C(C1CCOC(C1)(C)C)CCCNCc1ccc2c(c1)OCO2
STL527769
Synonyms: methyl(1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-{2-[2-(morpholin-4-ylmethyl)furan-3-yl]ethyl}decahydronaphthalene-1-carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN1CCOCC1)C
STL527770
Synonyms: (12aS)-2-(4-chlorobenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: Clc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527771
Synonyms: (12aR)-2-(2-hydroxy-2-phenylethyl)-6-phenyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OC(c1ccccc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527772
Synonyms: N-(4-acetylphenyl)-2-(pyridin-3-yl)piperidine-1-carbothioamide
Smiles: S=C(N1CCCCC1c1cccnc1)Nc1ccc(cc1)C(=O)C
STL527773
Synonyms: 4-{[(6aS,6bR,9aS,10R)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@H]2N1c1ccccc1C=C2
STL527774
Synonyms: tert-butyl[(12aR)-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527775
Synonyms: 4-ethoxy-N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527776
Synonyms: propyl(3aS,6R,7aR)-2-(2-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Smiles: CCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccccc1OC)O2
STL527777
Synonyms: (1S)-N-(2,5-dimethoxyphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Smiles: COc1ccc(c(c1)NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC
STL527778
Synonyms: N'-[(3Z)-5-bromo-2-oxo-1-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]-2-(2,3-dimethylphenoxy)acetohydrazide
Smiles: O=C(COc1cccc(c1C)C)N/N=C/1\C(=O)N(c2c1cc(Br)cc2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527779
Synonyms: (1S,5R)-3-(2-oxo-2-phenylethyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1ccccc1)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527781
Synonyms: 2-nitro-N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: O=C(c1ccccc1[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527782
Synonyms: 3-benzyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=O)n(c1=O)Cc1ccccc1
STL527783
Synonyms: (3R)-1-[3-methoxy-4-(octyloxy)phenyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: CCCCCCCCOc1ccc(cc1OC)C1N[C@H](Cc2c1[nH]c1c2cccc1)C(=O)O
STL527784
Synonyms: methylN-[(benzyloxy)carbonyl]methionyltyrosinate
Smiles: CSCCC(C(=O)NC(C(=O)OC)Cc1ccc(cc1)O)NC(=O)OCc1ccccc1
STL527785
Synonyms: (1S,2Z,5R,1'S,2'Z,5'R)-2,2'-{propane-1,3-diylbis[imino(1Z)eth-1-yl-1-ylidene]}bis(6,6-dimethylbicyclo[3.1.0]hexan-3-one)
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NCCCN/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527786
Synonyms: 3-cyclopropyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)[nH]c(=S)n(c1=O)C1CC1
STL527787
Synonyms: [1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl](4-methoxyphenyl)methanone
Smiles: CCOc1cc2c(cc1OCC)CCN(C2Cc1ccc(c(c1)OCC)OCC)C(=O)c1ccc(cc1)OC
STL527789
Synonyms: methyl1-(tert-butoxycarbonyl)-D-prolyl-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
STL527790
Synonyms: (2E)-3-(furan-2-yl)-N-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}prop-2-enamide
Smiles: O=C(NC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=C/c1ccco1
STL527791
Synonyms: 4-oxo-4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}sulfanyl)butanoicacid
Smiles: O=C(SC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)O
STL527792
Synonyms: (5E)-1-benzyl-5-(1-{[2-(pyridin-3-yl)piperidin-1-yl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: C/C(=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1)/NN1CCCCC1c1cccnc1
STL527793
Synonyms: 6-hydroxy-5-[(3xi,16xi,17R,20xi)-17-hydroxyajmalan-21-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: CCC1C(c2c(O)n(C)c(=O)n(c2=O)C)N2C3C4C1CC2[C@H]1[C@@]([C@@H]4O)(C3)c2c(N1C)cccc2
STL527794
Synonyms: (1S,2Z,5R)-2-{1-[(3-chlorophenyl)amino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: Clc1cccc(c1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527795
Synonyms: N-[(benzyloxy)carbonyl]-L-methionyl-4-hydroxyproline
Smiles: CSCC[C@@H](C(=O)N1CC(CC1C(=O)O)O)NC(=O)OCc1ccccc1
STL527796
Synonyms: 4-acetylphenyl2-(acetylamino)-2-deoxy-4,6-O-(1-methylethylidene)-beta-D-glucopyranoside
Smiles: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(OC2)(C)C)Oc1ccc(cc1)C(=O)C
STL527797
Synonyms: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc(ccc1OC)CCn1c(=O)[nH]c(c(c1=O)C1N(CCc2c1cc(OC)c(c2)OC)C(=O)C)O
STL527798
Synonyms: (2'S,3R,3'S,7a'S)-2'-(furan-2-ylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: O=C([C@@H]1[C@]2(C(=O)Nc3c2cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2)c1ccco1
STL527799
Synonyms: (3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-[2-(octylamino)-2-oxoethyl]tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: CCCCCCCCNC(=O)CNC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL527800
Synonyms: 3-methyl-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527801
Synonyms: 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC(=O)c1c(C)[nH]c2c1ccc(c2)C
STL527802
Synonyms: (11aS)-2-(2,4-dimethoxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)c2ccccc2[nH]1
STL527803
Synonyms: methyl4-[(12aR)-1,4-dioxo-2-(2-phenylethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CCc1ccccc1
STL527804
Synonyms: 1-(2,4-dimethoxyphenyl)-3-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]urea(non-preferredname)
Smiles: NNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1OC)OC
STL527805
Synonyms: 4-({(1'S,2'S,3R,3a'R)-2'-[(3,4-dimethoxyphenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl}carbonyl)phenylacetate
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
STL527806
Synonyms: methylN-[(2,5-dimethoxyphenyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(OC)ccc1OC
STL527807
Synonyms: 1-methoxy-5,5-dimethyl-11-oxo-5,6,6a,11-tetrahydroisoindolo[2,1-a]quinoline-10-carboxylicacid
Smiles: COc1cccc2c1N1C(=O)c3c(C1CC2(C)C)cccc3C(=O)O
STL527808
Synonyms: (12aR)-2-benzyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccccc2)C(=O)[C@@H]2N1C(c1ccc(cc1)C(C)C)c1c(C2)c2c([nH]1)cccc2
STL527809
Synonyms: methyl4-{(12aR)-2-[3-(diethylamino)propyl]-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl}benzoate
Smiles: CCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2)CC
STL527810
Synonyms: (1S,2Z,5R)-2-(1-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethylidene)-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: OCC(C(c1ccc(cc1)[N+](=O)[O-])O)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527811
Synonyms: (12aR)-2-[2-(cyclohex-1-en-1-yl)ethyl]-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1
STL527812
Synonyms: ethyl4-({[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1CCCCC1c1cccnc1
STL527813
Synonyms: 1,3,3,5-tetramethyl-4,5-dihydro-3H-2-benzazepine2-oxide
Smiles: CC1CC(C)(C)[N+](=C(c2c1cccc2)C)[O-]
STL527814
Synonyms: (11bS)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: O=C1N(C2CCS(=O)(=O)C2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C
STL527815
Synonyms: 1-cyclopropyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: COc1c2c(CCN(C2c2c(=O)[nH]c(=S)n(c2O)C2CC2)C)cc2c1OCO2
STL527816
Synonyms: (12aR)-6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1CN(Cc2ccncc2)C(=O)[C@@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
STL527818
Synonyms: (1S)-8-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cccc(c1)C(F)(F)F
STL527819
Synonyms: (1S)-3-[(2-chlorophenyl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: Clc1ccccc1C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527820
Synonyms: 3-(1-benzyl-1H-indol-3-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
Smiles: COc1cccc(c1)N1C(=O)CC(C1=O)c1cn(c2c1cccc2)Cc1ccccc1
STL527821
Synonyms: (12aR)-2-[3-(morpholin-4-yl)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCCN2CCOCC2)CC(=O)N2[C@@H]1Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2
STL527823
Synonyms: (11aR)-2-(2-methoxydibenzo[b,d]furan-3-yl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1cc2c(cc1N1C(=O)N3[C@@H](C1=O)Cc1c(C3)[nH]c3c1cccc3)oc1c2cccc1
STL527824
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(3-chlorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2
STL527825
Synonyms: methyl2-[(6aS,6bR,9aS,10R)-10-{[4-(acetyloxy)phenyl]carbonyl}-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C
STL527826
Synonyms: ethyl4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)Cc2c(C1c1ccc(c(c1)OCC)OCC)cc(c(c2)OCC)OCC
STL527827
Synonyms: (1R,5S)-1,8,8-trimethyl-3-(naphthalen-1-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
Smiles: O=C1N(c2cccc3c2cccc3)C(=O)[C@]2(C([C@H]1CC2)(C)C)C
STL527828
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-methylphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2
STL527829
Synonyms: (3R)-1-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylicacid
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)C1N[C@H](Cc2c1[nH]c1c2cccc1)C(=O)O
STL527830
Synonyms: methyl1-[(2-methoxydibenzo[b,d]furan-3-yl)carbamoyl]-L-prolinate
Smiles: COC(=O)[C@@H]1CCCN1C(=O)Nc1cc2oc3c(c2cc1OC)cccc3
STL527831
Synonyms: 1-methyl-2-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-benzimidazole
Smiles: CC(Cc1ccc(cc1)C(c1nc2c(n1C)cccc2)C)C
STL527832
Synonyms: methylN-[(2-phenylethyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1
STL527833
Synonyms: (5Z)-1-(3,4-dimethylphenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)C)C)cc2c1OCO2
STL527834
Synonyms: (5S)-5-benzyl-3-(3,4-dimethoxyphenyl)imidazolidine-2,4-dione
Smiles: COc1ccc(cc1OC)N1C(=O)N[C@H](C1=O)Cc1ccccc1
STL527835
Synonyms: methyl4-[(12aR)-2-(2-methoxybenzyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@H]2Cc2c1[nH]c1c2cccc1)Cc1ccccc1OC
STL527836
Synonyms: 2,6-dimethoxy-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}benzamide
Smiles: COc1cccc(c1C(=O)NC(=S)N1CCCCC1c1cccnc1)OC
STL527837
Synonyms: (3bS,4aR)-N-(2-methoxyphenyl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Smiles: COc1ccccc1NC(=S)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C
STL527838
Synonyms: (1'R,2'S,7a'S)-2'-[(4-chlorophenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indene-2,3'-pyrrolizine-1',3''-indole]-1,2'',3(1''H)-trione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@]2(C(=O)c3c(C2=O)cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
STL527839
Synonyms: (12aR)-2-hexyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527840
Synonyms: (2'S,3R,3'S,7a'S)-2'-(phenylcarbonyl)-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: O=C([C@@H]1[C@]2(C(=O)Nc3c2cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2)c1ccccc1
STL527841
Synonyms: (12aR)-2-(3-methoxypropyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527842
Synonyms: 4-(butan-2-yl)phenyl2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Smiles: CCC(c1ccc(cc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)C
STL527843
Synonyms: 2-methyl-5-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C
STL527844
Synonyms: 6-({(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}amino)-2H-chromen-2-one
Smiles: O=c1ccc2c(o1)ccc(c2)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527845
Synonyms: 5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-1,3-diphenyl-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c([O-])n(c2ccccc2)c(=O)n(c1=O)c1ccccc1
STL527846
Synonyms: 2-ethyl-5-phenyl-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: CCN1C(=S)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2
STL527847
Synonyms: (12bS)-9-methoxy-12b-methyl-2-(2-phenylethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)CCc1ccccc1
STL527848
Synonyms: N-(4-methoxyphenyl)-2-[4-(2-methoxyphenyl)-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]acetamide
Smiles: COc1ccc(cc1)NC(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
STL527849
Synonyms: 5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-1-(4-methylpentyl)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)CCCC(C)C
STL527850
Synonyms: 7-({(1Z)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}amino)-4-methyl-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527851
Synonyms: (12aR)-2-(3-methoxypropyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527852
Synonyms: (12aR)-2-amino-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: NN1CC(=O)N2[C@@H](C1=O)Cc1c(C2)[nH]c2c1cccc2
STL527853
Synonyms: (1'R,2'S,7a'S)-2'-[(4-methoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indene-2,3'-pyrrolizine-1',3''-indole]-1,2'',3(1''H)-trione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@]2(C(=O)c3c(C2=O)cccc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2
STL527854
Synonyms: (2Z)-2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethanamine
Smiles: CN(C/C=C/1\C(=C(Oc2c(C1c1ccccc1)cccc2)c1ccc(cc1)C)Cl)C
STL527855
Synonyms: (5Z)-1-(4-chlorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)C)cc2c1OCO2
STL527856
Synonyms: (12aR)-2-pentyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527857
Synonyms: N-(furan-2-ylmethyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=O)NCc1ccco1
STL527858
Synonyms: 1,3-dimethyl-7-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(cn2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527859
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(naphthalen-1-yl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(c2cccc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@@H]1CCCN1[C@]12C(=O)Nc2c1cccc2
STL527861
Synonyms: (3aR,5S,5aR,8aS,8bR)-N-[2-(butylamino)-2-oxoethyl]-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: CCCCNC(=O)CNC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL527862
Synonyms: naphthalen-1-yl2-(acetylamino)-2-deoxy-4,6-O-(1-methylethylidene)-beta-D-glucopyranoside
Smiles: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(OC2)(C)C)Oc1cccc2c1cccc2
STL527863
Synonyms: methyl4-[(11aR)-2-(2,5-dimethoxyphenyl)-1,3-dioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-5-yl]benzoate
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2N(C1=O)C(c1ccc(cc1)C(=O)OC)c1c(C2)c2ccccc2[nH]1)OC
STL527864
Synonyms: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc2CCNC(c2cc1OC)c1c(O)[nH]c(=O)n(c1=O)c1ccc(c(c1)C)C
STL527865
Synonyms: methyl2-[(3S,3a'R,8a'S,8b'S)-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2
STL527866
Synonyms: (12aR)-2-(4-phenylbutan-2-yl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CC(N1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2)CCc1ccccc1
STL527867
Synonyms: (12aR)-2-(2-hydroxy-2-phenylethyl)-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: OC(c1ccccc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527868
Synonyms: (10aR)-2-dodecyl-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: CCCCCCCCCCCCN1C(=O)[C@@H]2N(C1=O)Cc1c(C2)cccc1
STL527869
Synonyms: 5-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(c(c1=O)C1N(CCc2c1cccc2)C(=O)C)O
STL527870
Synonyms: (3aR,6R,9aR,11aR)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)-2-(4-sulfamoylphenyl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylicacid
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)N)C(=O)[C@H]2[C@@H]1C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O
STL527871
Synonyms: (12aR)-2-cyclopentyl-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@@H]1Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2)C1CCCC1
STL527872
Synonyms: (12aR)-2-[3-(dibutylamino)propyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN(CCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)CCCC
STL527873
Synonyms: 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1-(4-iodophenyl)pyrimidine-2,4(1H,3H)-dione
Smiles: Ic1ccc(cc1)n1c(=O)[nH]c(=O)c(c1O)C1OCc2c1c(O)c(nc2)C
STL527874
Synonyms: 4-methoxy-N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527875
Synonyms: (12aR)-2-(2-methoxybenzyl)-6-[4-(propan-2-yl)phenyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(C)C)[nH]c2c1cccc2
STL527876
Synonyms: N-[3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[4-(propan-2-yloxy)benzyl]propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccccc1OC)c1ccc2c(c1)OCO2
STL527877
Synonyms: methyl4-[(11aR)-2-(2,4-dimethoxyphenyl)-1,3-dioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-5-yl]benzoate
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@@H]2N(C1=O)C(c1ccc(cc1)C(=O)OC)c1c(C2)c2ccccc2[nH]1
STL527878
Synonyms: (1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527879
Synonyms: butyl4-({[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=S)N1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527880
Synonyms: methyl2-[(6aR,6bS,9aR,10S)-10-carbamoyl-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N
STL527881
Synonyms: (11bS)-2-(2,5-dimethoxyphenyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)OC
STL527882
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-methoxyphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2
STL527883
Synonyms: (5E)-1-(4-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1c2c(CCN(C2CN/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)F)C)cc2c1OCO2
STL527884
Synonyms: N-(2-methoxydibenzo[b,d]furan-3-yl)-2-(pyridin-3-yl)piperidine-1-carboxamide
Smiles: COc1cc2c(cc1NC(=O)N1CCCCC1c1cccnc1)oc1c2cccc1
STL527885
Synonyms: (11aR)-2-(2-methoxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2N(C1=O)Cc1c(C2)c2ccccc2[nH]1
STL527886
Synonyms: 3,4,5-trimethoxy-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527887
Synonyms: 6-hydroxy-3-(2-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccccc1n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O
STL527888
Synonyms: (1S,2Z,5R,1'S,2'Z,5'R)-2,2'-{oxybis[benzene-4,1-diylimino(1Z)eth-1-yl-1-ylidene]}bis(6,6-dimethylbicyclo[3.1.0]hexan-3-one)
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/Nc1ccc(cc1)Oc1ccc(cc1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527889
Synonyms: 2-hydroxy-4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C
STL527890
Synonyms: N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)-4-(pentyloxy)benzamide
Smiles: CCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527891
Synonyms: methylN-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc(c(c1)OC)OC
STL527892
Synonyms: (4E)-4-(1-aminoethylidene)-1-methyl-5-phenylpyrrolidine-2,3-dione
Smiles: C/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)C)/N
STL527893
Synonyms: 2-(4-bromophenoxy)ethyl2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
Smiles: CC(=O)OCC1OC(SCCOc2ccc(cc2)Br)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
STL527894
Synonyms: 5-[3-(biphenyl-4-yloxy)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2ccc(cc2)c2ccccc2)C)cc2c1OCO2
STL527895
Synonyms: (12aS)-2-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2
STL527896
Synonyms: 4-chloro-N'-[(3E)-2-oxo-1-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
Smiles: Clc1ccc(cc1)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1C[C@@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527897
Synonyms: methyl4-[(12aR)-2-(4-methoxybenzyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Smiles: COc1ccc(cc1)CN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2ccc(cc2)C(=O)OC)[nH]c2c1cccc2
STL527898
Synonyms: 2-[(4-carboxyhexanoyl)amino]benzoicacid
Smiles: CCC(C(=O)O)CCC(=O)Nc1ccccc1C(=O)O
STL527899
Synonyms: (12aR)-2-amino-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(N)CC(=O)N2[C@@H]1Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527900
Synonyms: 4-butoxy-N-(4-{[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527901
Synonyms: 6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-3-(2,4,6-trimethylphenyl)pyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cc(C)c(c(c1)C)n1c(=O)[nH]c(c(c1=O)C1NCCc2c1cccc2)O
STL527902
Synonyms: (1'R,2'R)-2'-(2,4-dimethoxyphenyl)-1'-[(4-methoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1OC)OC)C(=O)c1c(C2=O)cccc1
STL527903
Synonyms: (2E)-3-(4-methoxyphenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)N1CCCCC1c1cccnc1
STL527904
Synonyms: 1-(4-hydroxyphenyl)-3-(1H-indol-3-yl)pyrrolidine-2,5-dione
Smiles: Oc1ccc(cc1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2
STL527905
Synonyms: 5-{3-[(3-tert-butyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]prop-1-yn-1-yl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCOc2cc3c(cc2C(C)(C)C)oc2c3CCCC2)C)cc2c1OCO2
STL527906
Synonyms: (12aR)-2-methyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(C)CC(=O)N2[C@@H]1Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2
STL527908
Synonyms: 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethanone
Smiles: COc1c2C(CC(=O)c3cccs3)N(C)CCc2c(c2c1OCO2)Br
STL527909
Synonyms: 2-(naphthalen-1-yl)-N-{2,2,2-trichloro-1-[(5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}acetamide
Smiles: O=C(NC(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
STL527910
Synonyms: (12aR)-2-cyclopentyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: O=C1N(CC(=O)N2[C@@H]1Cc1c(C2CCc2ccccc2)[nH]c2c1cccc2)C1CCCC1
STL527911
Synonyms: (1S,2Z,5R,1'S,2'Z,5'R)-2,2'-{methanediylbis[benzene-4,1-diylimino(1Z)eth-1-yl-1-ylidene]}bis(6,6-dimethylbicyclo[3.1.0]hexan-3-one)
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/Nc1ccc(cc1)Cc1ccc(cc1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C
STL527912
Synonyms: (11aR)-3-(4-methoxyphenyl)-2-{[(E)-(4-methoxyphenyl)methylidene]amino}-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Smiles: COc1ccc(cc1)C1N(/N=C/c2ccc(cc2)OC)C(=O)[C@@H]2N1Cc1[nH]c3c(c1C2)cccc3
STL527913
Synonyms: (6aR)-1,5-dimethyl-11-oxo-5,6,6a,11-tetrahydroisoindolo[2,1-a]quinoline-10-carboxylicacid
Smiles: CC1C[C@@H]2c3cccc(c3C(=O)N2c2c1cccc2C)C(=O)O
STL527914
Synonyms: 4-methylphenyl2-(acetylamino)-2-deoxy-4,6-O-(1-methylethylidene)-beta-D-glucopyranoside
Smiles: CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(OC2)(C)C)Oc1ccc(cc1)C
STL527915
Synonyms: 3-methoxy-N-(4-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
STL527916
Synonyms: N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl]thiophene-2-carboxamide
Smiles: O=C(c1cccs1)NCCC(C1CCOC(C1)(C)C)Cc1ccccc1
STL527917
Synonyms: (3aR,5S,5aR,8aS,8bR)-N-(2-{[1-(benzylamino)-1-oxopropan-2-yl]amino}-2-oxoethyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide(non-preferredname)
Smiles: O=C(NC(C(=O)NCc1ccccc1)C)CNC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
STL527918
Synonyms: 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoicacid
Smiles: CCOc1cc(ccc1OCC)C1c2cc(OCC)c(cc2CC(=O)N1c1ccc(cc1)C(=O)O)OCC
STL527919
Synonyms: 4-fluoro-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1