COMPOUNDS FOR BIOLOGICAL SCREENING
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STL526675
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(3- methoxyphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STL526676
Synonyms:
Smiles: CN([C@H]([C@H](c1ccccc1)O)C)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526677
Synonyms: (12aS)- 6,6- dimethyl- 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=C1N(CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C)C1CC(C)(C)NC(C1)(C)C

STL526678
Synonyms: methyl4- {[2,4- dichloro- 5,5- dimethoxy- 3- oxo- 4- (prop- 2- en- 1- yl)cyclopent- 1- en- 1- yl]amino}butanoate
Smiles: COC1(OC)C(=C(C(=O)C1(Cl)CC=C)Cl)NCCCC(=O)OC

STL526679
Synonyms: 1- (3,4- dimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1cc(ccc1OC)C1NCCc2c1[nH]c1c2cccc1

STL526680
Synonyms: N- [4- ({5- [6- (benzyloxy)- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl]- 2- methoxybenzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL526681
Synonyms: (3bS,4aR)- N,3,4,4- tetramethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole- 1- carbothioamide
Smiles: CNC(=S)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C

STL526682
Synonyms: 5- [4- (benzyloxy)- 3- methoxybenzyl]- 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(ccc1OCc1ccccc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C

STL526683
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526684
Synonyms: 4- [(4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)amino]- 3- phenylbutanoicacid
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(c1ccccc1)CC(=O)O

STL526685
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- oxo- 4- [(pyridin- 2- ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccccn1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526686
Synonyms:
Smiles: COc1cc2CCN([C@H](c2cc1OC)C)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526687
Synonyms: ({[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}sulfanyl)aceticacid
Smiles: OC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526688
Synonyms: 2- ({[(3E,8xi,9xi,14xi,17alpha)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)- N- {2- [4- phenyl- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]ethyl}acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)C(C)C)c3ccccc3)/CC[C@]12C

STL526689
Synonyms: (1Z)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (4- methylphenyl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)C)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526690
Synonyms: methyl2- acetyl- 1- (3- bromophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1cccc(c1)Br)[nH]c1c2cccc1

STL526691
Synonyms: (12aS)- 2- [3- (diethylamino)propyl]- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2)CC

STL526692
Synonyms: N- [2- (2,2- dimethyl- 4- phenyltetrahydro- 2H- pyran- 4- yl)ethyl]- 2- ({[(3E,8xi,9xi,14xi,17alpha)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)(C)C)c3ccccc3)/CC[C@]12C

STL526693
Synonyms: N- {(1Z)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}- 2- (3,4,5- trimethoxyphenyl)acetamide
Smiles: COc1cc(CC(=O)N/C(=C/2\C(=O)C[C@@H]3[C@H]2C3(C)C)/C)cc(c1OC)OC

STL526694
Synonyms: {[(1R,2R)- 1- hydroxy- 1- phenylpropan- 2- yl](methyl)amino}(4- methoxyphenyl)acetonitrile
Smiles: COc1ccc(cc1)C(N([C@@H]([C@@H](c1ccccc1)O)C)C)C#N

STL526695
Synonyms: (8xi,9xi,14xi,16xi,17xi,22alpha)- 28- acetylspirosol- 5- en- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2[C@H](C)[C@]2(O3)CCC(CN2C(=O)C)C)C)C1)C

STL526696
Synonyms:
Smiles: CC(CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C(CO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C)O)C

STL526697
Synonyms: N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CCCCC(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

STL526698
Synonyms: (12aS)- 2- (2- methoxybenzyl)- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526699
Synonyms: methyl3- ({[2- (2- hydroxyethyl)piperidin- 1- yl]acetyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: OCCC1CCCCN1CC(=O)Nc1c([nH]c2c1cc(OC)c(c2)OC)C(=O)OC

STL526700
Synonyms: (2- phenylquinolin- 4- 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: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=O)c1cc(nc2c1cccc2)c1ccccc1

STL526701
Synonyms: 3- (benzylamino)- 2,5- dichloro- 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)NCc1ccccc1

STL526702
Synonyms:
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526703
Synonyms: (12bS)- 12b- methyl- 2- (2,2,6,6- tetramethylpiperidin- 4- yl)- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1CN(C2CC(C)(C)NC(C2)(C)C)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C

STL526704
Synonyms: [4- (dimethylamino)phenyl][(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetonitrile
Smiles: N#CC(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)c1ccc(cc1)N(C)C

STL526705
Synonyms: 3- [6- (benzyloxy)- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl]phenol
Smiles: Oc1cccc(c1)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL526706
Synonyms: 2- ({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)- N- (pyridin- 4- ylmethyl)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)NCc1ccncc1

STL526707
Synonyms: (12bS)- 2- [3- (dibutylamino)propyl]- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCCCN(CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)CCCC

STL526708
Synonyms: 5- {[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methyl}- 5- (4- ethoxybenzyl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1ccc(cc1)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C

STL526709
Synonyms: (5S)- 3- {[5- methyl- 2- (propan- 2- yl)phenoxy]acetyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Cc1ccc(c(c1)OCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)C(C)C

STL526710
Synonyms: methyl3- ({[(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]acetyl}amino)- 5- methyl- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)C

STL526711
Synonyms: (3S,6E)- 3- methyl- 6- (4- methylbenzylidene)piperazine- 2,5- dione
Smiles: O=C1N/C(=C/c2ccc(cc2)C)/C(=O)N[C@H]1C

STL526712
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526713
Synonyms: methyl1- methyl- 2- (phenylcarbonyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)c1ccccc1)C)[nH]c1c2cccc1

STL526714
Synonyms: (8R,8aS,11aR,11bR)- 10- (1,3- benzodioxol- 5- yl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCO2)c1ccccc1

STL526715
Synonyms: 1- (4- ethylphenyl)- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}- 5- (3,4,5- trimethoxybenzyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cc(OC)c(c(c1)OC)OC

STL526716
Synonyms: methyl5- bromo- 3- ({[(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- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3CC(C1)c1n(C3)c(=O)ccc1)cc(cc2)Br

STL526717
Synonyms: (2R,6S)- 2- methyl- 5- (morpholin- 4- ylcarbonyl)- 3- (prop- 2- en- 1- yl)- 2,3,5,6- tetrahydro- 4H- 2,6- methano- 1,3- benzoxazocin- 4- one
Smiles: C=CCN1C(=O)C(C(=O)N2CCOCC2)[C@H]2C[C@@]1(C)Oc1c2cccc1

STL526718
Synonyms: (11aS)- 2- cyclohexyl- 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(C2CCCCC2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526719
Synonyms: 6- [3- hydroxy- 5- (4- hydroxy- 3- methoxyphenyl)- 2- oxo- 4- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]hexanoicacid
Smiles: COc1cc(ccc1O)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)c1ccccc1)O

STL526720
Synonyms: 1,3- bis(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)propan- 2- one
Smiles: COc1c2c(CCN(C2CC(=O)CC2N(C)CCc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2

STL526721
Synonyms: 4- methyl- 3- ({[(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)benzoicacid(non- preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1cc(ccc1C)C(=O)O

STL526722
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- 26- (acetyloxy)furost- 20(22)- en- 3- ylbenzoate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCC(C1)OC(=O)c1ccccc1)COC(=O)C

STL526723
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- (3- methylphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2cccc(c2)C)C)cc2c1OCO2

STL526724
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yldecanoate
Smiles: CCCCCCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C

STL526725
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526726
Synonyms: (3S,11E)- 3- methyl- 1,7- dioxo- 3,4,5,6,7,8,9,10- octahydro- 1H- 2- benzoxacyclotetradecine- 14,16- diyldibenzoate
Smiles: O=C1CCC/C=C/c2cc(cc(c2C(=O)O[C@H](CCC1)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1

STL526727
Synonyms: 1- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1NCCc2c1[nH]c1c2cccc1

STL526728
Synonyms: (1S,5R)- 3- [2- (2,6- dimethyl- 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: Cc1ccc2c(c1)[nH]c(c2C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

STL526729
Synonyms: (12aS)- 2- [2- (4- methoxyphenyl)ethyl]- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526730
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- {[2- (3,4- dihydroxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O

STL526731
Synonyms: (3E,6S)- 3- (3- methylbenzylidene)- 6- (2- methylpropyl)piperazine- 2,5- dione
Smiles: CC(C[C@@H]1NC(=O)/C(=C\c2cccc(c2)C)/NC1=O)C

STL526732
Synonyms: (1'R,3R,3'R)- 1'- [(4- bromophenyl)carbonyl]- 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)c1ccc(cc1)Br)cccc3

STL526733
Synonyms: (8xi,9xi,14xi)- 17- oxoandrost- 5- en- 3- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCCC1

STL526734
Synonyms: (12bS)- 2- (3- hydroxypropyl)- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: OCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526735
Synonyms: (12aS)- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526736
Synonyms: 1- (1- benzofuran- 2- yl)- 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)c2cc3c(o2)cccc3)C)cc2c1OCO2

STL526737
Synonyms: ethyl2- ({5- [6- (benzyloxy)- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl]- 2- methoxybenzyl}oxy)benzoate
Smiles: CCOC(=O)c1ccccc1OCc1cc(ccc1OC)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL526738
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(3- nitrophenyl)carbonyl]- 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)c1cccc(c1)[N+](=O)[O-]

STL526739
Synonyms: methyl1- {3- [(2- fluorophenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)COc2ccccc2F)OC)c2c(C1)c1ccccc1[nH]2

STL526740
Synonyms: (12aS)- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526741
Synonyms: 3- [1- (1,3- benzodioxol- 5- ylmethyl)piperidin- 2- yl]pyridine
Smiles: C1CCN(C(C1)c1cccnc1)Cc1ccc2c(c1)OCO2

STL526742
Synonyms: 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CN2CCn3c4C2CCCc4c2c3ccc(c2)C)cc(c1OC)OC

STL526743
Synonyms: 2- [(phenylacetyl)amino]- 8- phosphonooctanoicacid
Smiles: O=C(NC(C(=O)O)CCCCCCP(=O)(O)O)Cc1ccccc1

STL526744
Synonyms: 5- [4- (2- hydroxy- 2- phenylethoxy)benzyl]- 1,3- dimethyl- 5- {[(1S,5S)- 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: OC(c1ccccc1)COc1ccc(cc1)CC1(CN2C[C@@H]3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526745
Synonyms: (7aR)- 6- (4- methoxyphenyl)- 3,3- dimethyl- 1H- imidazo[1,5- c][1,3]thiazole- 5,7(6H,7aH)- dione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)C(SC2)(C)C

STL526746
Synonyms: methyl(5Z)- 5- ({[2- (3,4- dimethoxyphenyl)ethyl]amino}methylidene)- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\NCCc2ccc(c(c2)OC)OC)/C(=O)CC1(C)C

STL526747
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- 3- [4- (propan- 2- yl)phenyl]- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)C(C)C

STL526748
Synonyms: (3aR,5S,5aR,8aS,8bR)- N- (3- chloro- 4- methylphenyl)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1ccc(c(c1)Cl)C

STL526749
Synonyms: (12bS)- 12b- methyl- 2- (3- methylbutyl)- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: CC(CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C

STL526750
Synonyms: 1- {4- methoxy- 3- [(2,4,6- tribromophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1c(Br)cc(cc1Br)Br)C1NCCc2c1[nH]c1c2cccc1

STL526751
Synonyms: (12bS)- 12b- methyl- 2- [2- (morpholin- 4- yl)ethyl]- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1CN(CCN2CCOCC2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C

STL526752
Synonyms: (3S,6E)- 3- (2- methylpropyl)- 6- (naphthalen- 1- ylmethylidene)piperazine- 2,5- dione
Smiles: CC(C[C@@H]1NC(=O)/C(=C\c2cccc3c2cccc3)/NC1=O)C

STL526753
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregn- 4- en- 21- yl4- [(2,5- dioxopyrrolidin- 1- yl)oxy]- 4- oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)ON1C(=O)CCC1=O

STL526754
Synonyms: 5,5- dimethyl- 2- (1- phenylethyl)- 1,2- oxazinane- 3,4- dione
Smiles: CC(N1OCC(C(=O)C1=O)(C)C)c1ccccc1

STL526755
Synonyms: (12aS)- 6,6- dimethyl- 2- [2- (morpholin- 4- yl)ethyl]- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1N(CCN2CCOCC2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526756
Synonyms:
Smiles: CCCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C(CO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C)O

STL526757
Synonyms: (12aS)- 2- (4- methoxybenzyl)- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526758
Synonyms: (11aS)- 2- benzyl- 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(Cc2ccccc2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526759
Synonyms: (8aS)- 2- (2- phenylethyl)hexahydropyrrolo[1,2- a]pyrazine- 1,4- dione
Smiles: O=C1N(CCc2ccccc2)CC(=O)N2[C@H]1CCC2

STL526760
Synonyms: methyl1- [4- methoxy- 3- ({4- [(2- methylpropoxy)carbonyl]phenoxy}methyl)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)COc2ccc(cc2)C(=O)OCC(C)C)OC)c2c(C1)c1ccccc1[nH]2

STL526761
Synonyms: (12aS)- 6,6- dimethyl- 2- (4- methylbenzyl)- 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(C2(C)C)[nH]c2c1cccc2

STL526762
Synonyms: 4- methoxy- 6- methyl- 5- (2,4,6- trinitrobenzyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2c(CCN(C2Cc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)cc2c1OCO2

STL526763
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)- 3- hydroxytyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526764
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 10- [(3- methoxypropyl)amino]- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL526765
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- methylphenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)N

STL526766
Synonyms: (12bS)- 12b- methyl- 2- (tetrahydrofuran- 2- ylmethyl)- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1CN(CC2CCCO2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C

STL526767
Synonyms: N- (4- {[(8xi,9xi,11beta,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)- beta- hydroxy- 3- nitrophenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C

STL526768
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- nonylurea
Smiles: CCCCCCCCCNC(=O)NC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526769
Synonyms: 2- hydroxy- 4- {[({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]amino}- 3,3- dimethylbutanoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(C(C(=O)O)O)(C)C)/CC[C@]12C

STL526770
Synonyms: methylN- [(3,4- dimethoxybenzyl)carbamoyl]- L- tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)NCc1ccc(c(c1)OC)OC

STL526771
Synonyms: (5R)- N- (naphthalen- 1- yl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carbothioamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Nc1cccc2c1cccc2

STL526772
Synonyms: 1- (2- bromophenyl)- 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)Nc2ccccc2Br)C)cc2c1OCO2

STL526773
Synonyms: 3- methoxy- 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: COc1cc(C=O)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526774
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregn- 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)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

STL526775
Synonyms: [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl](phenyl)acetonitrile
Smiles: N#CC(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)c1ccccc1

STL526776
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- (thiophen- 2- ylcarbonyl)- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccs1

STL526777
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- (2- methoxyphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2OC)C)cc2c1OCO2

STL526778
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl](furan- 2- yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1ccco1

STL526779
Synonyms: N- [(2R,3R,4R,5S,6R)- 4,5- dihydroxy- 6- (hydroxymethyl)- 2- {[(3aR,5R,5aS,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl]methoxy}tetrahydro- 2H- pyran- 3- yl]acetamide(non-
Smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

STL526780
Synonyms: (12bS)- 2- (2- chlorobenzyl)- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: Clc1ccccc1CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526781
Synonyms: (8xi,9xi,11beta,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- ({2- [4- (4- methoxyphenyl)- 1,2,5- trimethylpiperidin- 4- yl]ethyl}amino)- 4- oxobutanoate
Smiles: COc1ccc(cc1)C1(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3[C@]2(C)C[C@H](O)C2C3CCC3=CC(=O)CC[C@]23C)CC(C)N(CC1C)C

STL526782
Synonyms: 5- (3,5- dibromo- 2- methoxybenzyl)- 1,3- dimethyl- 5- {[(1R,5S)- 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: COc1c(Br)cc(cc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)Br

STL526783
Synonyms: (1S,5S)- 3- (5- {(E)- [(8- chloro- 4- oxo- 4,5- dihydro- 3H- pyrimido[5,4- b]indol- 3- yl)imino]methyl}- 2- methoxybenzyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STL526784
Synonyms: 3- chloro- 9,10- dimethoxy- 5H- isoindolo[2,1- a][3,1]benzoxazine- 5,11(6aH)- dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2OC(=O)c2c1ccc(c2)Cl

STL526785
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- (pyridin- 3- 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)c1cccnc1

STL526786
Synonyms: 1,3- dimethyl- 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}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2

STL526787
Synonyms: (8xi,9xi,14xi,16alpha)- 17- (acetylamino)androst- 5- ene- 3,16- diyldipropanoate
Smiles: CCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2NC(=O)C)OC(=O)CC)C)C1)C

STL526788
Synonyms: (1S,5R)- 3- acryloyl- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: C=CC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526789
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- [(6- methylheptan- 2- yl)amino]- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NC(CCCC(C)C)C)c(OC)c(c(c2)OC)OC

STL526790
Synonyms: methyl4- (2,3,4- trimethoxyphenyl)- 4,5,6,7- tetrahydro- 3H- imidazo[4,5- c]pyridine- 6- carboxylate
Smiles: COC(=O)C1Cc2nc[nH]c2C(N1)c1ccc(c(c1OC)OC)OC

STL526791
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- (3- methoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)N1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O

STL526792
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- 3- [3- (trifluoromethyl)phenyl]- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)C(F)(F)F

STL526793
Synonyms: 1- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: COc1cc(ccc1OC(C)C)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL526794
Synonyms:
Smiles: CCC([C@@H]1NC(=O)/C(=C\c2ccccc2)/NC1=O)C

STL526795
Synonyms: (12bS)- 12b- methyl- 2- (pyridin- 4- ylmethyl)- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1CN(Cc2ccncc2)C(=O)[C@]2(N1CCc1c2[nH]c2c1cccc2)C

STL526796
Synonyms: 5- (2,4- 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: COc1ccc(c(c1)OC)CC1(CN2CCc3c([C@@H]2C)cc(c(c3)OC)OC)C(=O)N(C)C(=O)N(C1=O)C

STL526797
Synonyms: (8xi,9xi,11beta,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- oxo- 4- ({2- [4- phenyl- 2- (propan- 2- yl)tetrahydro- 2H- pyran- 4- yl]ethyl}amino)butanoate
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)C)c1ccccc1

STL526798
Synonyms: N- [4- (dimethylamino)benzyl]- N- {3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propyl}propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C

STL526799
Synonyms: N- {(E)- [3- (methoxycarbonyl)- 4,4- dimethyl- 2,6- dioxocyclohexylidene]methyl}glycine
Smiles: COC(=O)C1C(=O)/C(=C/NCC(=O)O)/C(=O)CC1(C)C

STL526800
Synonyms: propan- 2- yl2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoate
Smiles: CC(OC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)C

STL526801
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- yl4- methylpentanoate
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)CCC(C)C)CNC(=O)C

STL526802
Synonyms: [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl](thiophen- 2- yl)methanone
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)c1cccs1

STL526803
Synonyms: N- [(benzyloxy)carbonyl]glycylglycyltryptophan
Smiles: O=C(CNC(=O)OCc1ccccc1)NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2

STL526804
Synonyms: (5S)- 5- (1H- indol- 3- ylmethyl)- 3- (4- methoxyphenyl)imidazolidine- 2,4- dione
Smiles: COc1ccc(cc1)N1C(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2

STL526805
Synonyms: (6aR,6bS,9aR,10S)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STL526806
Synonyms: 4- ({(4aS,6aS,12aS)- 8- [4- (acetyloxy)butyl]- 4a,6a,7- trimethyl- 2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12,12a- hexadecahydro- 1H- naphtho[2',1':4,5]indeno[2,1- b]furan- 2- yl}oxy)- 4- oxobutanoicacid(non- prefer
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(=C(O1)CCCCOC(=O)C)C)C)C)CCC(=O)O

STL526807
Synonyms: 1- (2,6- dimethyl- 1H- indol- 3- yl)- 2- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)CC(=O)c1c(C)[nH]c2c1ccc(c2)C

STL526808
Synonyms: (11aS)- 5,5- dimethyl- 2- phenyl- 5,6,11,11a- tetrahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indole- 1,3(2H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526809
Synonyms: 5- (2,4- dichlorobenzyl)- 1,3- dimethyl- 5- {[(1R,5S)- 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: Clc1ccc(c(c1)Cl)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526810
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- yl4- [(2,5- dioxopyrrolidin- 1- yl)oxy]- 4- oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)ON1C(=O)CCC1=O

STL526811
Synonyms:
Smiles: CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C(CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O

STL526812
Synonyms: 5- {4- [(4- fluorobenzyl)oxy]- 3- methoxybenzyl}- 1,3- dimethyl- 5- {[(1R,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: COc1cc(ccc1OCc1ccc(cc1)F)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526813
Synonyms: (5Z)- 1- (3- 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)c2cccc(c2)Cl)C)cc2c1OCO2

STL526814
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 10- {methyl[2- (pyridin- 2- yl)ethyl]amino}- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N(CCc2ccccn2)C)NC(=O)C)cc(c1OC)OC

STL526815
Synonyms: 3- ({[(1R,3S)- 2,2- dimethyl- 3- (2- methylpropyl)cyclopropyl]methyl}amino)cyclohex- 2- en- 1- one
Smiles: CC(C[C@H]1[C@H](C1(C)C)CNC1=CC(=O)CCC1)C

STL526816
Synonyms: ({[(3E,8xi,9xi,14xi)- 17- (acetyloxy)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: OC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C

STL526817
Synonyms: benzyl3- O- acetyl- 2- (acetylamino)- 2- deoxy- 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)C)NC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

STL526818
Synonyms: tert- butyl[(12bS)- 12b- methyl- 1,4- dioxo- 3,4,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indol- 2(1H)- yl]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526819
Synonyms: 1- (4- ethoxyphenyl)- 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: CCOc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)OC

STL526820
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3,3- dimethylbutan- 2- one
Smiles: COc1c2c(CCN(C2CC(=O)C(C)(C)C)C)cc2c1OCO2

STL526821
Synonyms: (5R)- 3,5- dimethyl- 7- oxo- 6- oxabicyclo[3.2.1]octane- 2- carboxylicacid
Smiles: O=C1O[C@]2(C[C@H]1C(C(=O)O)C(C2)C)C

STL526822
Synonyms: (4bS,5aR)- 4,5,5- trimethyl- 2- (4- nitrophenyl)- 4b,5,5a,6- tetrahydrocyclopropa[3,4]cyclopenta[1,2- d]pyrimidine
Smiles: Cc1nc(nc2c1[C@H]1[C@@H](C2)C1(C)C)c1ccc(cc1)[N+](=O)[O-]

STL526823
Synonyms: (6aR,6bS,9aR,10S)- 10- acetyl- 8- (4- acetylphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)C

STL526824
Synonyms: 1- (9H- carbazol- 9- yl)propane- 1,3- diol
Smiles: OCCC(n1c2ccccc2c2c1cccc2)O

STL526825
Synonyms: (2R,3S,4R,5R,6R)- 5- (acetylamino)- 2- [(acetyloxy)methyl]- 6- {[(3aR,5R,5aS,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl]methoxy}tetrahydro- 2H- pyran- 3,4- diyldiacetat
Smiles: CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

STL526826
Synonyms: 5- [4- (4- hydroxy- 3,5- diiodophenoxy)- 3,5- diiodobenzyl]- 3- phenyl- 2- thioxoimidazolidin- 4- one
Smiles: O=C1C(NC(=S)N1c1ccccc1)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O

STL526827
Synonyms: N- [(benzyloxy)carbonyl]glycylalanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)C

STL526828
Synonyms: (11aS)- 2- (3,4- dimethoxybenzyl)- 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)CN1C(=O)[C@H]2N(C1=O)C(C)(C)c1c(C2)c2ccccc2[nH]1

STL526829
Synonyms: (8R,8aR,11aS,11bS)- 8- acetyl- 10- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2

STL526830
Synonyms: 4- [3- acetyl- 4- hydroxy- 2- (4- methoxyphenyl)- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoicacid
Smiles: COc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C(=O)O)O)C(=O)C

STL526831
Synonyms: 9,10- dimethoxy- 2- methyl- 1,2,3,6,7,11b- hexahydro- 4H- pyrimido[6,1- a]isoquinoline- 4- thione
Smiles: COc1cc2c(cc1OC)CCN1C2CC(C)NC1=S

STL526832
Synonyms: (8- bromo- 4- methyl- 2,3- dihydrofuro[3,2- c]quinolin- 2- yl)methanol
Smiles: Cc1nc2ccc(cc2c2c1CC(O2)CO)Br

STL526833
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yl3- (pyrrolidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCCC1

STL526834
Synonyms: (7S)- 1,2,3- trimethoxy- 10- [(3- methoxypropyl)amino]- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: COCCCNc1ccc2c(cc1=O)[C@@H](NC)CCc1c2c(OC)c(c(c1)OC)OC

STL526835
Synonyms: 5- (4- chlorobenzyl)- 1,3- dimethyl- 5- {[(1R,5S)- 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: Clc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526836
Synonyms: 5- (2,6- dichlorobenzyl)- 1,3- dimethyl- 5- {[(5S)- 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=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1c(Cl)cccc1Cl

STL526837
Synonyms: (8xi,9xi,14xi)- 17- (acetyloxy)- 3,20- dioxopregn- 4- en- 21- yl4- [(2,5- dioxopyrrolidin- 1- yl)oxy]- 4- oxobutanoate
Smiles: O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)ON1C(=O)CCC1=O

STL526838
Synonyms: 2,4- diacetyl- 5- hydroxy- 5- methyl- 3- [(E)- 2- phenylethenyl]cyclohexanone
Smiles: CC(=O)C1C(=O)CC(C(C1/C=C/c1ccccc1)C(=O)C)(C)O

STL526839
Synonyms: methyl3- hydroxy- N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

STL526840
Synonyms: 2,5- dichloro- 3- [(2- hydroxyethyl)amino]- 4,4- dimethoxy- 5- (prop- 2- en- 1- yl)cyclopent- 2- en- 1- one
Smiles: OCCNC1=C(Cl)C(=O)C(C1(OC)OC)(Cl)CC=C

STL526841
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)CC1[C@](C2)(C)CCCC1=C

STL526842
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (4- nitrophenyl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2

STL526843
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- phenylurea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2ccccc2)C)cc2c1OCO2

STL526844
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]benzohydrazide
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)c1nnnn1c1ccc(cc1)C(=O)N/N=C/c1ccccc1O

STL526845
Synonyms: 5- (3- bromo- 4- hydroxy- 5- methoxybenzyl)- 1,3- dimethyl- 5- {[(1R,5S)- 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: COc1cc(cc(c1O)Br)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526846
Synonyms: ethylbeta- hydroxy- N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 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(=O)C)C)C

STL526847
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- (3- methylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)C)cc2c1OCO2

STL526848
Synonyms: (3bS,4aR)- N- benzyl- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole- 1- carbothioamide
Smiles: Cc1nn(c2c1[C@H]1[C@@H](C2)C1(C)C)C(=S)NCc1ccccc1

STL526849
Synonyms: 2- [(phenylacetyl)amino]- 7- phosphonoheptanoicacid
Smiles: O=C(NC(C(=O)O)CCCCCP(=O)(O)O)Cc1ccccc1

STL526850
Synonyms: 2- (prop- 2- en- 1- yl)- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: C=CCN1C(=S)N2C(C1=O)Cc1c(C2)[nH]c2c1cccc2

STL526851
Synonyms: methyl2- propanoyl- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: CCC(=O)N1Cc2[nH]c3c(c2CC1C(=O)OC)cccc3

STL526852
Synonyms: 6- phosphononorleucine
Smiles: OC(=O)C(CCCCP(=O)(O)O)N

STL526853
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 5- {[(1R,5S)- 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)N1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STL526854
Synonyms: (3bR,4aR)- N- (4- fluorophenyl)- 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: Fc1ccc(cc1)NC(=S)N1N=C(C2C1(O)C[C@@H]1[C@H]2C1(C)C)C

STL526855
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- propanoyl- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: COc1ccc(c(c1)C1N(C(=O)CC)C(Cc2c1[nH]c1c2cccc1)C(=O)O)OC

STL526856
Synonyms: 5- (5- bromo- 1H- indol- 3- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2c(CCN(C2c2c[nH]c3c2cc(Br)cc3)C)cc2c1OCO2

STL526857
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 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(C1CC[C@]2(O)C(=O)C)C)C

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

STL526864
Synonyms:
Smiles: CC(C[C@@H](C(=O)OC1C2OC(OC2O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C)NC(=O)OCc1ccccc1)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

STL526898
Synonyms:
Smiles: CCCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C(CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O

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

STL526903
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)CC1[C@](C2)(C)CCC[C@]21OC2

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

STL526921
Synonyms:
Smiles: CCC([C@@H]1NC(=O)/C(=C\c2ccc(cc2)OC)/NC1=O)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

STL526923
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)C=C1[C@](C2)(C)CCC[C@@H]1C

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

STL526949
Synonyms:
Smiles: COc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL526951
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)Cl)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527001
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)Cl)CC1[C@](C2)(C)CCCC1=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

STL527089
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCc1ccc(cc1)F)CC1[C@](C2)(C)CCCC1=C

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

STL527160
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)CC1[C@](C2)(C)CCCC1=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

STL527195
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])CC1[C@](C2)(C)CCCC1=C

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

STL527368
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C=C1[C@](C2)(C)CCC[C@@H]1C

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

STL527405
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCCN1CCCC1=O)CC1[C@](C2)(C)CCCC1=C

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

STL527410
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)CC1[C@](C2)(C)CCCC1=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

STL527418
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1cccc(c1)Cl)C

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

STL527427
Synonyms:
Smiles: COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1[C@@H]1O[C@@]41[C@](C3)(C)CCC[C@@H]4C)c[nH]2

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

STL527436
Synonyms:
Smiles: COc1cc2CN(CCc2cc1OC)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527454
Synonyms:
Smiles: COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1CC1C(=C)CCC[C@@]1(C3)C)c[nH]2

STL527455
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)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

STL527457
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)C(=O)c1ccco1)C

STL527458
Synonyms:
Smiles: OCC(NCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)(CO)C

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

STL527462
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL527463
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C

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

STL527469
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCSCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL527470
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527515
Synonyms:
Smiles: COc1cc(CCNCC2C(=O)O[C@H]3[C@@H]2[C@@H]2O[C@@]42[C@](C3)(C)CCC[C@@H]4C)ccc1OC

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

STL527517
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCN1CCOCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527521
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)CC1[C@](C2)(C)CCCC1=C

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

STL527535
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1cccnc1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527538
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])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

STL527557
Synonyms:
Smiles: COC(CNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)OC

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

STL527559
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1[C@](C2)(C)CCCC1=C

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

STL527564
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)F)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527566
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

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

STL527568
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])CC1[C@](C2)(C)CCC[C@]21OC2

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

STL527572
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2)C

STL527573
Synonyms:
Smiles: COc1ccc(cc1)CNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527580
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527582
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCN1CCCCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527593
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)c1ccccc1F)C

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

STL527602
Synonyms:
Smiles: CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527605
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527608
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCC1=CCCCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL527609
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1(O)[C@](C2)(C)CCC[C@@]1(C)OC

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

STL527613
Synonyms:
Smiles: CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)C

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

STL527627
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527648
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)F)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

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

STL527652
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

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

STL527668
Synonyms:
Smiles: [O-]C(=O)CC1OCC=C2[C@H]3[C@@H]1[C@@H]1Nc4c([C@@]51[C@H](C3)[N+](C2)(CC5)C)cccc4

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

STL527674
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C