COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION

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STL525673
Synonyms: ethyl9- oxo- 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazoline- 1- carboxylate
Smiles: CCOC(=O)C1CCc2n1c(=O)c1c(n2)cccc1

STL525674
Synonyms: 1- deoxy- 1- [(3,4- dimethylphenyl)(nitroso)amino]pentitol
Smiles: OCC(C(C(CN(c1ccc(c(c1)C)C)N=O)O)O)O

STL525675
Synonyms: methylN,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycylalaninate
Smiles: COC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C

STL525676
Synonyms: 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 3- phenylurea
Smiles: COc1c(OC)ccc2c1C(=O)OC2NC(=O)Nc1ccccc1

STL525677
Synonyms: quinolin- 8- yl2,3,6- tri- O- acetyl- 4- O- (2,3,4,6- tetra- O- acetyl- beta- D- galactopyranosyl)- 1- thio- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2cccc3c2nccc3)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

STL525678
Synonyms: 1- (2- chlorophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: Clc1ccccc1C1NCCc2c1[nH]c1c2cccc1

STL525679
Synonyms: N- [(7S)- 10- {[2- (4- fluorophenyl)ethyl]amino}- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCc2ccc(cc2)F)NC(=O)C)cc(c1OC)OC

STL525680
Synonyms: N- (2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl)- 2- phenylacetamide
Smiles: O=C(NC1=C(C(=O)C)C2C(C1)C2(C)C)Cc1ccccc1

STL525681
Synonyms: (3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl2- bromohexanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C(CCCC)Br

STL525682
Synonyms: N- {[(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]acetyl}- D- phenylalanine
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccccc1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1

STL525683
Synonyms: 3- methylbutyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CC(CCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C)C

STL525684
Synonyms: (8xi,9xi,14xi,17beta)- 4- chloro- 17- hydroxy- 17- methylandrost- 4- en- 3- one
Smiles: O=C1CC[C@]2(C(=C1Cl)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

STL525685
Synonyms: 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline- 1- carboxylicacid
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)C(=O)O

STL525686
Synonyms: 1- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)proline
Smiles: O=C(OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)N1CCCC1C(=O)O

STL525687
Synonyms: 1,4,6- trihydroxy- 7- methyl- 5,8- dioxo- 3- [(2,3,4,6- tetra- O- acetyl- beta- D- glucopyranosyl)thio]- 5,8- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2c(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)c(O)c3c(c2O)C(=O)C(=C(C3=O)C)O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525688
Synonyms: 2- [(4aR,6aS,6bS,9aR)- 5- hydroxy- 4a,6a- dimethyl- 2- oxo- 8- propyl- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 6b- yl]- 2- oxoethylmethanesulfonate
Smiles: CCCC1O[C@H]2[C@](O1)(C(=O)COS(=O)(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)O)C)C

STL525689
Synonyms: 5- [(4R,6aS)- 3a- hydroxy- 2- oxohexahydro- 1H- thieno[3,4- d]imidazol- 4- yl]pentanoicacid
Smiles: OC(=O)CCCC[C@H]1SC[C@@H]2C1(O)NC(=O)N2

STL525690
Synonyms: 2- dodecyltetradecyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CCCCCCCCCCCCC(CO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C)CCCCCCCCCCCC

STL525691
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- spirostan- 3- ylbenzoate
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)OC(=O)c1ccccc1)C

STL525692
Synonyms: 4- oxo- 4- {[(5alpha,8xi,9xi,14xi,16xi,17xi)- 12- oxospirostan- 3- yl]oxy}butanoicacid
Smiles: CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2=O)(C)CCC(C3)OC(=O)CCC(=O)O)C

STL525693
Synonyms: 2- (3,4- dimethoxyphenyl)- 3- {3- [(2R)- 1- methylpyrrolidin- 2- yl]pyridin- 2- yl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1OC)c1nc2ccccc2c(=O)n1c1ncccc1[C@H]1CCCN1C

STL525694
Synonyms: (8xi,9xi,14xi)- 17- hydroxyestr- 5(10)- en- 3- one
Smiles: O=C1CCC2=C(C1)CCC1C2CC[C@]2(C1CCC2O)C

STL525695
Synonyms: (8xi,9xi,14xi,16alpha)- 16,17- dihydroxy- 20- oxopregn- 5- ene- 3,21- diyldiacetate
Smiles: CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525696
Synonyms: 4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoicacid
Smiles: OC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525697
Synonyms: ethyl(10R,13S,17R)- 3- methoxy- 10,13- dimethyl- 5'- oxo- 1,2,4',5',7,8,9,10,11,12,13,14,15,16- tetradecahydro- 3'H- spiro[cyclopenta[a]phenanthrene- 17,2'- furan]- 4'- carboxylate
Smiles: CCOC(=O)C1C[C@]2(OC1=O)CCC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(=C1)OC

STL525698
Synonyms: 3- [(2,2- dimethyl- 4- phenyltetrahydro- 2H- pyran- 4- yl)acetyl]- 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)CC1(CCOC(C1)(C)C)c1ccccc1

STL525699
Synonyms: (1S)- 3- (5- {bis[4- hydroxy- 6- oxo- 1- phenyl- 2- (phenylamino)- 1,6- dihydropyrimidin- 5- yl]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(c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1)c1c(O)nc(n(c1=O)c1ccccc1)Nc1ccccc1

STL525700
Synonyms: methyl(5Z)- 5- [(dimethylamino)methylidene]- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\N(C)C)/C(=O)CC1(C)C

STL525701
Synonyms: 1- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)propan- 2- ol
Smiles: CC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)O

STL525702
Synonyms: 4- (6- methyl- 4- methylidenetetrahydro- 2H- pyran- 2- yl)phenol
Smiles: CC1OC(CC(=C)C1)c1ccc(cc1)O

STL525703
Synonyms: 10a- [(E)- 2- (3,4- dimethoxyphenyl)ethenyl]- 10,10- dimethyl- 3,4,10,10a- tetrahydropyrimido[1,2- a]indol- 2(1H)- one
Smiles: COc1cc(ccc1OC)/C=C/C12NC(=O)CCN1c1c(C2(C)C)cccc1

STL525704
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl3,3- diphenylpropanoate
Smiles: O=C(CC(c1ccccc1)c1ccccc1)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525705
Synonyms: (4aS,4bR,6aS,6bS,9aR)- 4b- fluoro- 5- hydroxy- 4a,6a,8,8- tetramethyl- 2- oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxole- 6b- carboxylicacid
Smiles: O=C1C=C[C@]2(C(=C1)CCC1[C@]2(F)C(O)C[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)O)C)C

STL525706
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: COc1cc(CCNC2CCCc3c2[nH]c2c3cc(cc2)C)ccc1OC

STL525707
Synonyms: (3R)- 3- (dimethylamino)azepan- 2- one
Smiles: CN([C@@H]1CCCCNC1=O)C

STL525708
Synonyms: (5'R,10'R,13'S,17'S)- 13'- methyl- 17'- (prop- 1- yn- 1- yl)- 1',2',7',8',12',13',14',15',16',17'- decahydro- 6'H- spiro[1,3- dioxolane- 2,3'- [5,10]epoxycyclopenta[a]phenanthren]- 17'- ol
Smiles: CC#C[C@]1(O)CCC2[C@]1(C)CC=C1C2CC[C@@]23[C@]1(CCC1(C3)OCCO1)O2

STL525709
Synonyms: nonyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CCCCCCCCCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C

STL525710
Synonyms: 5- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1,3- diethyl- 6- hydroxy- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(O)n(CC)c(=S)n(c1=O)CC

STL525711
Synonyms: (5S)- 3- {3- [(5E)- 5- (2- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}- 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]2CC(C1)c1n(C2)c(=O)ccc1)CCN1C(=S)S/C(=C/c2ccccc2F)/C1=O

STL525712
Synonyms: N- (2,2- dimethoxyethyl)- N- (6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)acetamide
Smiles: COC(CN(C1CCCc2c1[nH]c1c2cc(cc1)C)C(=O)C)OC

STL525713
Synonyms: methylN,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycyl- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

STL525714
Synonyms: 2- ({2- [4- (2- methoxyphenyl)- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl]ethyl}carbamoyl)benzoicacid
Smiles: COc1ccccc1C1(CCNC(=O)c2ccccc2C(=O)O)CCOC(C1)(C)C

STL525715
Synonyms: 3- (4- ethylphenyl)- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

STL525716
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethylpropan- 2- ylcarbamate
Smiles: CC(NC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)C

STL525717
Synonyms: (8xi,14xi)- 9- bromo- 3,20- dioxopregna- 1,4- diene- 11,17,21- triyltriacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(Br)[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL525718
Synonyms: (8xi,9xi,14xi)- 3- methylideneandrosta- 1,4- dien- 17- one
Smiles: C=C1C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2=O)C)C

STL525719
Synonyms: 7- methyl- 1,4,4a,7,8,13,13b,13c- octahydro- 5H- benzo[1,2]indolizino[8,7- b]indol- 5- one
Smiles: CC1Cc2c(C3N1C(=O)C1C3CC=CC1)[nH]c1c2cccc1

STL525720
Synonyms: 3,3'- methanediylbis(1,7,7- trimethylbicyclo[2.2.1]heptan- 2- one)
Smiles: O=C1C(CC2C(=O)C3(C(C2CC3)(C)C)C)C2C(C1(C)CC2)(C)C

STL525721
Synonyms: (1R,3Z,5R,7Z)- 3,7- bis(furan- 2- ylmethylidene)bicyclo[3.3.1]nonane- 2,6- dione
Smiles: O=C1[C@@H]2C[C@H](C/C/1=C/c1ccco1)C(=O)/C(=C\c1ccco1)/C2

STL525722
Synonyms: (6R,7R)- 3- [(acetyloxy)methyl]- 7- {[(2E)- 2- (2- amino- 1,3- thiazol- 5- yl)- 2- (methoxyimino)acetyl]amino}- 8- oxo- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2- carboxylicacid
Smiles: CO/N=C(/c1cnc(s1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C

STL525723
Synonyms: (2R,6R,2'R,6'R)- 2,2'- methanediylbis(13- oxadispiro[5.0.5.1]tridecan- 1- one)
Smiles: O=C1[C@H](CCC[C@@]21OC12CCCCC1)C[C@H]1CCC[C@@]2(C1=O)OC12CCCCC1

STL525724
Synonyms: (8xi,9xi,14xi)- 17- cyano- 17- [(trimethylsilyl)oxy]androst- 5- en- 3- ylacetate
Smiles: N#CC1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)O[Si](C)(C)C

STL525725
Synonyms: (3alpha,5alpha,8xi,9xi,14xi,17alpha)- 3- azidoandrostan- 17- yl4- methylbenzenesulfonate
Smiles: [N-]=[N+]=N[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@H]2OS(=O)(=O)c1ccc(cc1)C)C)C

STL525726
Synonyms: N- [(8xi,9xi,14xi,17E)- androstan- 17- ylidene]cyclohexanamine
Smiles: C[C@@]12CCC3C(C2CC/C/1=N\C1CCCCC1)CCC1[C@]3(C)CCCC1

STL525727
Synonyms: 5- (4- methoxy- 2,3,6- trimethylphenyl)- 3- methylpent- 1- yn- 3- ol
Smiles: COc1cc(C)c(c(c1C)C)CCC(C#C)(O)C

STL525728
Synonyms: 2- {[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}benzamide
Smiles: COc1c2c(CCN(C2C#CCOc2ccccc2C(=O)N)C)cc2c1OCO2

STL525729
Synonyms: N- (4- methoxybenzyl)- 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]butanamide
Smiles: COc1ccc(cc1)CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525730
Synonyms: 2- [(4aR,6aS,6bS,9aR,12S)- 12- fluoro- 4a,6a,8,8- tetramethyl- 2- oxo- 2,4a,6,6a,9a,10,10a,10b,11,12- decahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 6b- yl]- 2- oxoethylacetate
Smiles: CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC=C2C1C[C@@H](C1=CC(=O)C=C[C@]21C)F)(C)C

STL525731
Synonyms: 2,3- dimethoxy- 6- (4- oxo- 3,4- dihydro- 2H- benzo[h]chromen- 2- yl)benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1CC(=O)c2c(O1)c1ccccc1cc2

STL525732
Synonyms: 5,8- dioxo- 6,7- bis[(2,3,4,6- tetra- O- acetyl- beta- D- glucopyranosyl)thio]- 5,8- dihydronaphthalene- 1,4- diyldiacetate
Smiles: CC(=O)OC[C@H]1O[C@@H](SC2=C(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c3c(C2=O)c(ccc3OC(=O)C)OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525733
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- furost- 20(22)- en- 3,26- diyldipropanoate
Smiles: CCC(=O)OCC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)CCC(C1)OC(=O)CC)C

STL525734
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- {[2- (1H- imidazol- 4- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]cn1

STL525735
Synonyms: 2- [(1R)- 1- [(tert- butoxycarbonyl)amino]- 2- {4- [(2,2- dimethylpropanoyl)oxy]phenyl}ethyl]- 6- ethyl- 3- (4- methyl- 1,3- thiazol- 2- yl)- 4- oxo- 4H- chromen- 7- ylN,O- bis(tert- butoxycarbonyl)- D- tyrosinate
Smiles: CCc1cc2c(cc1OC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)oc(c(c2=O)c1scc(n1)C)[C@@H](Cc1ccc(cc1)OC(=O)C(C)(C)C)NC(=O)OC(C)(C)C

STL525736
Synonyms: 4- [4- (4- methoxyphenyl)- 2,5- dioxo- 3,4,5,6,7,8- hexahydroquinolin- 1(2H)- yl]benzoicacid
Smiles: COc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)O

STL525737
Synonyms: [(2R,2'R,5'R,6'S,8a'S)- 2',5',8a'- trimethyl- 6'- [(phenylcarbonyl)oxy]- 5- {2- [(phenylcarbonyl)oxy]ethyl}decahydro- 2'H,3H- spiro[furan- 2,1'- naphthalene]- 5,5'- diyl]dimethanediyldibenzoate
Smiles: O=C(c1ccccc1)OCC1(CCOC(=O)c2ccccc2)CC[C@@]2(O1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1

STL525738
Synonyms: 2- [(5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- yl)oxy]propanoicacid
Smiles: OC(=O)C(Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)C

STL525739
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCN1CCCCC1

STL525740
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL525741
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 10- [(2- methylpropyl)amino]- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(C)C)NC(=O)C)cc(c1OC)OC

STL525742
Synonyms: methylN- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C

STL525743
Synonyms: methyl(5E)- 2,2- dimethyl- 5- [1- (methylamino)butylidene]- 4,6- dioxocyclohexanecarboxylate
Smiles: CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NC

STL525744
Synonyms: (6- methoxy- 3- oxo- 2,3- dihydro- 1H- inden- 1- yl)aceticacid
Smiles: COc1cc2C(CC(=O)O)CC(=O)c2cc1

STL525745
Synonyms: 1- {[3- (2- fluorophenoxy)- 7- hydroxy- 4- oxo- 4H- chromen- 8- yl]methyl}- D- proline
Smiles: OC(=O)[C@H]1CCCN1Cc1c(O)ccc2c1occ(c2=O)Oc1ccccc1F

STL525746
Synonyms: [2- (benzyloxy)phenyl][3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)oxiran- 2- yl]methanone
Smiles: O=C(C1OC1c1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccccc1

STL525747
Synonyms: 2,2'- [(1,2- dioxoethane- 1,2- diyl)diimino]bis(4- methylpentanoicacid)(non- preferredname)
Smiles: CC(CC(C(=O)O)NC(=O)C(=O)NC(C(=O)O)CC(C)C)C

STL525748
Synonyms: methyl(8xi,14xi)- 21- (acetyloxy)- 9- fluoro- 3,20- dioxopregna- 1,4,16- triene- 11- carboxylate
Smiles: COC(=O)C1C[C@]2(C)C(=CCC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C

STL525749
Synonyms: 6- butyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- leucinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)C)occ(c2=O)c1csc(n1)C

STL525750
Synonyms: N- [(4- methylphenyl)sulfonyl]- L- seryl- L- tyrosine
Smiles: OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NS(=O)(=O)c1ccc(cc1)C

STL525751
Synonyms: 2,3- dimethoxy- 6- (4- methoxyphenyl)- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1ccc(cc1)N1C(=O)c2cc(OC)c(cc2N2C1c1ccccc1C2=O)OC

STL525752
Synonyms: (5S,10S,13S)- 10,13- dimethyl- 1,4,5,6,7,8,9,10,11,12,13,14,15,16- tetradecahydrospiro[cyclopenta[a]phenanthrene- 17,2'- [1,3]dioxolane]
Smiles: C[C@]12CC=CC[C@@H]1CCC1C2CC[C@]2(C1CCC12OCCO1)C

STL525753
Synonyms: N- [1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)ethyl]butan- 1- amine
Smiles: CCCCNC(C1COc2c(O1)cccc2)C

STL525754
Synonyms: N- benzyl- N- (propan- 2- yl)- 3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- amine
Smiles: CC(N(Cc1ccccc1)CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C)C

STL525755
Synonyms: 8- (benzylamino)- 9- (L- ribofuranosyl)- 1,9- dihydro- 6H- purin- 6- one
Smiles: OC[C@@H]1OC([C@H]([C@H]1O)O)n1c(NCc2ccccc2)nc2c1nc[nH]c2=O

STL525756
Synonyms: 4- hydroxy- 3- [7- (2- methoxyphenyl)- 2,3,6,7- tetrahydro- 1,4- thiazepin- 5- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1ccccc1C1SCCN=C(C1)c1c(O)cc(oc1=O)C

STL525757
Synonyms: 1- methyl- 4- [3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- yl]piperazine
Smiles: CN1CCN(CC1)CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C

STL525758
Synonyms:
Smiles: CC(=O)O[C@H]1C[C@@H](C2[C@]1(C)[C@@H](O)[C@H]1[C@H](C[C@H]2C)OC(=O)C1CN1CCOCC1)OC(=O)C

STL525759
Synonyms: methylN,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycyl- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)CC(C)C

STL525760
Synonyms: 1,3,4,4a,5,7,8,8a,13,13a,13b,13c- dodecahydro- 2H- benzo[1,2]indolizino[8,7- b]indole
Smiles: C1CCC2C(C1)CN1C2C2Nc3c(C2CC1)cccc3

STL525761
Synonyms: N- (2- methoxybenzyl)- 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: COc1ccccc1CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525762
Synonyms: 1- (4- methoxyphenyl)- 5- (naphthalen- 1- ylmethyl)- 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: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2

STL525763
Synonyms: (4a''R,5'R,6a''S,8''R,10b''R)- 3'',3'',6a'',8'',10b''- pentamethyldodecahydrodispiro[furan- 3,2'- furan- 5',7''- naphtho[2,1- d][1,3]dioxin]- 5(4H)- one
Smiles: O=C1OCC2(C1)CC[C@@]1(O2)[C@H](C)CCC2[C@]1(C)CC[C@@H]1[C@@]2(C)COC(O1)(C)C

STL525764
Synonyms: N- [(7S)- 10- (tert- butylamino)- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC(C)(C)C)NC(=O)C)cc(c1OC)OC

STL525765
Synonyms: methylN- ({[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- hydroxy- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(O)c2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

STL525766
Synonyms: ethyl(2Z)- 2- [(8xi,9xi,14xi,20Z)- 3- (acetyloxy)pregna- 5,16- dien- 20- ylidene]hydrazinecarboxylate
Smiles: CCOC(=O)N/N=C(\C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)/C

STL525767
Synonyms: 2- [(4aR,6aS,6bS,9aR)- 12- fluoro- 5- hydroxy- 4a,6a,8,8- tetramethyl- 2- oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 6b- yl]- 2- oxoethylacetate
Smiles: CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC(O)C2C1CC(C1=CC(=O)C=C[C@]21C)F)(C)C

STL525768
Synonyms: 6- butyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- isoleucinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](C(CC)C)NC(=O)OC(C)(C)C)occ(c2=O)c1csc(n1)C

STL525769
Synonyms: benzyl{[(8beta)- 1,6- dimethylergolin- 8- yl]methyl}carbamate
Smiles: O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C

STL525770
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525771
Synonyms: N- {2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}- D- norvaline
Smiles: CCC[C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C

STL525772
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,11,20- trioxopregna- 1,4- dien- 21- ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)C=C[C@]12C

STL525773
Synonyms: (5alpha,8xi,9xi,14xi,17beta)- 17- hydroxy- 17- methylandrost- 1- en- 3- one
Smiles: O=C1C=C[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

STL525774
Synonyms: 4,4'- (1,3- thiazole- 2,4- diyl)bis(1- oxaspiro[4.5]decan- 2- one)
Smiles: O=C1CC(C2(O1)CCCCC2)c1scc(n1)C1CC(=O)OC21CCCCC2

STL525775
Synonyms: (5S)- 8- oxo- N- phenyl- 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)Nc1ccccc1

STL525776
Synonyms: 8- butyl- 8- methyltetrahydro- 5H- [1,3]thiazolo[3,2- a]pyrazin- 3(2H)- one
Smiles: CCCCC1(C)NCCN2C1SCC2=O

STL525777
Synonyms: 4a- (1H- indol- 3- yl)- 3- (4- methoxyphenyl)- 6,8- dimethyl- 2,8- dihydropyrimido[5,4- e][1,2,4]triazine- 5,7(4aH,6H)- dione
Smiles: COc1ccc(cc1)C1=NC2(C(=NN1)N(C)C(=O)N(C2=O)C)c1c[nH]c2c1cccc2

STL525778
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyltricyclo[3.3.1.1~3,7~]decane- 1- carboxylate
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL525779
Synonyms: 4- methoxyphenyl6- deoxy- 6- iodo- beta- D- glucopyranoside
Smiles: IC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O

STL525780
Synonyms: [3- (1- benzofuran- 2- yl)oxiran- 2- yl][2- (benzyloxy)- 5- bromophenyl]methanone
Smiles: Brc1ccc(c(c1)C(=O)C1OC1c1cc2c(o1)cccc2)OCc1ccccc1

STL525781
Synonyms: N,N- dimethyl- 4- [(9R)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 7- en- 2- yl]aniline
Smiles: CC1=CC(C)[C@H]2C([C@@H]1C(OC2)c1ccc(cc1)N(C)C)C

STL525782
Synonyms: 8a- methyl- 5- methylidene- 3- [(octadecylamino)methyl]decahydronaphtho[2,3- b]furan- 2(3H)- one
Smiles: CCCCCCCCCCCCCCCCCCNCC1C(=O)OC2C1CC1C(=C)CCCC1(C2)C

STL525783
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)- 2- (3- iodobenzylidene)- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1cccc(c1)I)/C(=O)C3(C)C)C(=C)C

STL525784
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccn1)C1OC31[C@](C2)(C)CCC[C@@H]3C

STL525785
Synonyms: (8xi,9xi,14xi)- 20- oxopregn- 5- ene- 3,17,21- triyltriacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)OC(=O)C

STL525786
Synonyms: N~6~- [(7S)- 1,2,3- trimethoxy- 7- (methylamino)- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 10- yl]lysine
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCCCC(C(=O)O)N)c(OC)c(c(c2)OC)OC

STL525787
Synonyms: N- {(2E)- 2- [(phenylcarbonyl)amino]- 3- [4- (propan- 2- yloxy)phenyl]prop- 2- enoyl}phenylalanine
Smiles: CC(Oc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)Cc1ccccc1)/NC(=O)c1ccccc1)C

STL525788
Synonyms: (8xi,9xi,14xi,16alpha,17alpha)- 17- cyano- 16,17- dihydroxyandrost- 5- en- 3- ylacetate
Smiles: N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525789
Synonyms: 12,13- dimethoxy- 6,6- dimethyl- 1,3,5,6,7,9,10,14b- octahydroisoquino[2,1- a][1,5]benzodiazepine- 2,4- dione
Smiles: COc1cc2c(cc1OC)CCN1C2CC(=O)NC2=C1CC(C)(C)CC2=O

STL525790
Synonyms: 2,2,7- trimethyl- 5,8- dihydro- 2H- 4a,8- methanobenzo[8]annulene- 4,9(1H,3H)- dione
Smiles: O=C1C=C2CC(C)(C)CC(=O)C32CC1C(=CC3)C

STL525791
Synonyms: 4- oxo- 3- phenoxy- 4H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- leucinate
Smiles: CC(C[C@H](C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)NC(=O)OC(C)(C)C)C

STL525792
Synonyms: 3,3'- [pentane- 1,5- diylbis(oxybenzene- 4,1- diyl)]dipyrrolidine- 2,5- dione
Smiles: O=C1NC(=O)CC1c1ccc(cc1)OCCCCCOc1ccc(cc1)C1CC(=O)NC1=O

STL525793
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxoandrostan- 3- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C

STL525794
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- ylbenzoate
Smiles: O=C(c1ccccc1)OC1CCN2C1=Nc1ccccc1C2

STL525795
Synonyms: N- {(2E)- 2- [(phenylcarbonyl)amino]- 3- [4- (propan- 2- yloxy)phenyl]prop- 2- enoyl}methionine
Smiles: CSCCC(C(=O)O)NC(=O)/C(=C\c1ccc(cc1)OC(C)C)/NC(=O)c1ccccc1

STL525796
Synonyms: N'- [(3Z)- 1- {[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methyl}- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 3,4- dimethoxybenzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC

STL525797
Synonyms: methyl(2S,4aS,6aS,6bR,13aS)- 2,4a,6a,6b,9,9,13a- heptamethyl- 14- oxo- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,13,13a,13b,14,15b- octadecahydropiceno[2,3- d][1,2]oxazole- 2- carboxylate
Smiles: COC(=O)[C@@]1(C)CC[C@]2(C(C1)C1=CC(=O)C3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)Cc2cnoc2C1(C)C)C

STL525798
Synonyms: ({[(3Z,8xi,9xi,14xi)- 17- (propanoyloxy)androst- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)O)/CC[C@]12C

STL525799
Synonyms: N- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)alanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C

STL525800
Synonyms: (4aR,6aS,6bS,9aR,12S)- 12- fluoro- 6b- (hydroxyacetyl)- 4a,6a,8,8- tetramethyl- 3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12- tetradecahydro- 2H- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxol- 2- one
Smiles: OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C

STL525801
Synonyms: 3- pentyl- 5- (phenoxymethyl)dihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCCCCC1CC(OC1=O)COc1ccccc1

STL525802
Synonyms: methyl(3alpha,5beta,8xi,9xi,12alpha,14xi,17xi,20xi)- 3,12- dihydroxy- 7- oxocholan- 24- oate
Smiles: COC(=O)CCC(C1CCC2[C@]1(C)[C@@H](O)CC1C2C(=O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C

STL525803
Synonyms: (8xi,9xi,14xi,17xi)- 3,20- dioxopregn- 4- en- 21- ylbenzoate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)COC(=O)c1ccccc1)C)C

STL525804
Synonyms: (1S,2R)- 2- amino- 3- ethoxy- 3- oxo- 1- phenylpropyldecanoate
Smiles: CCCCCCCCCC(=O)O[C@H]([C@H](C(=O)OCC)N)c1ccccc1

STL525805
Synonyms: (4R)- 4- (4- methoxyphenyl)- 2,4- dimethyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: COc1ccc(cc1)[C@@]1(C)CCc2c(c3c1cc(o3)C)c1c(o2)cccc1

STL525806
Synonyms: 1- benzyl- 2',2'- dimethylspiro[indole- 3,3'- pyrrolidin]- 2(1H)- one
Smiles: O=C1N(Cc2ccccc2)c2c(C31CCNC3(C)C)cccc2

STL525807
Synonyms: (2R,2'S)- 2,2',3,3,3',3'- hexahydroxy- 2,2',3,3'- tetrahydro- 1H,1'H- 2,2'- biindene- 1,1'- dione
Smiles: O=C1c2ccccc2C([C@]1(O)[C@@]1(O)C(=O)c2c(C1(O)O)cccc2)(O)O

STL525808
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)- 2- benzylidene- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccccc1)/C(=O)C3(C)C)C(=C)C

STL525809
Synonyms: methylN- {2- [(6- ethyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)C(Oc1cc2oc(=O)cc(c2cc1CC)C)C

STL525810
Synonyms: 3- [(2,2- dimethyltetrahydro- 2H- pyran- 4- yl)carbonyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(C1CCOC(C1)(C)C)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525811
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- N- [(E)- (2,4,5- trimethoxyphenyl)methylidene]methanamine
Smiles: COc1cc(OC)c(cc1/C=N/CC1COc2c(O1)cccc2)OC

STL525812
Synonyms: dimethyl[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]phosphonate
Smiles: COP(=O)(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC

STL525813
Synonyms: (4aR,6aS,6bS,9aR)- 5- hydroxy- 4a,6a,8,8- tetramethyl- 2- oxo- 2,4a,4b,5,6,6a,9a,10,10a,10b,11,12- dodecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxole- 6b- carboxylicacid
Smiles: O=C1C=C[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)O)C)C

STL525814
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)C1COc2c(O1)cccc2

STL525815
Synonyms: 4- (3,4- dimethoxyphenyl)- 1,7,7- trimethyl- 4,6,7,8- tetrahydroquinoline- 2,5(1H,3H)- dione
Smiles: COc1ccc(cc1OC)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)C

STL525816
Synonyms: N- {(7S)- 10- [(2,2- dimethyltetrahydro- 2H- pyran- 4- yl)amino]- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NC2CCOC(C2)(C)C)NC(=O)C)cc(c1OC)OC

STL525817
Synonyms: (8xi,9xi,14xi)- androst- 5- ene- 3,17,19- triol
Smiles: OC[C@]12CCC(CC1=CCC1C2CC[C@]2(C1CCC2O)C)O

STL525818
Synonyms: methyl5- [(2E)- 3- (furan- 2- yl)prop- 2- enoyl]- 2,2- dimethyl- 4,6- dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)C(C(=O)/C=C/c2ccco2)C(=O)CC1(C)C

STL525819
Synonyms: (8xi,9xi,14xi)- 17- (acetylamino)- 3- (acetyloxy)androst- 5- en- 16- yl5- (acetyloxy)- 4- methylpentanoate
Smiles: CC(COC(=O)C)CCC(=O)OC1CC2[C@](C1NC(=O)C)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL525820
Synonyms: N- [({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]histidine
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)Cc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C

STL525821
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- ylpropanoate
Smiles: CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525822
Synonyms: N- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- oxo- 4- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: O=C(NC1CCOC(C1)(C)C)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525823
Synonyms: (1- methyl- 4- phenyl- 1,2,3,6- tetrahydropyridin- 3- yl)methanol
Smiles: OCC1CN(C)CC=C1c1ccccc1

STL525824
Synonyms: (1R,5S)- 3- (diphenylacetyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(C(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525825
Synonyms: ethyl5- methoxy- 3- ({[(1R,5S)- 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: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(cc2)OC

STL525826
Synonyms:
Smiles: CC1CCN(CC(C1)(C)C)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C

STL525827
Synonyms: 5- (4- ethoxybenzyl)- 1- (4- methoxyphenyl)- 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: CCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC

STL525828
Synonyms: N'- [(5alpha,8xi,9xi,14xi,17Z)- androst- 2- en- 17- ylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C\1/CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CC=CC2

STL525829
Synonyms: 4- oxo- 3- phenoxy- 2- (trifluoromethyl)- 4H- chromen- 7- ylN,O- bis(tert- butoxycarbonyl)- D- tyrosinate
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C(F)(F)F)Cc1ccc(cc1)OC(=O)OC(C)(C)C

STL525830
Synonyms: 1,2- dimethoxy- 4b,5,8,9- tetrahydro- 7H- cyclopenta[4',5']thieno[3',2':5,6]pyrimido[2,1- a]isoindole- 6,12- dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2NC(=O)c2c1sc1c2CCC1

STL525831
Synonyms: N- (3- carboxy- 5- nitrophenyl)hexopyranosylamine
Smiles: OCC1OC(Nc2cc(cc(c2)C(=O)O)[N+](=O)[O-])C(C(C1O)O)O

STL525832
Synonyms: 5- (2- 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}- 1- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

STL525833
Synonyms: ethylN,O- bis(tert- butoxycarbonyl)tyrosyl- L- alanylglycylglycinate
Smiles: CCOC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C

STL525834
Synonyms: 4- [4- hydroxy- 3- (methoxycarbonyl)benzyl]- 2- [2,3,5- tris- O- (phenylcarbonyl)- D- ribofuranosyl]- 1,2,4- triazine- 3,5(2H,4H)- dione
Smiles: COC(=O)c1cc(ccc1O)Cn1c(=O)cnn(c1=O)C1O[C@@H]([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1

STL525835
Synonyms: 3- (3- fluorophenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- ylD- isoleucinate
Smiles: CCC([C@H](C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1cccc(c1)F)C)N)C

STL525836
Synonyms: methylN- [({[(3E,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL525837
Synonyms: 4- (7- ethoxy- 5- hydroxy- 4- oxo- 4H- chromen- 3- yl)phenylhexopyranoside
Smiles: CCOc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)OC1OC(CO)C(C(C1O)O)O

STL525838
Synonyms: (1R,5R)- 3- (5,6- dihydro- 1,4- dioxin- 2- ylcarbonyl)- 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)C1=COCCO1

STL525839
Synonyms: 3- (4- methoxyphenyl)- N- {(2S)- 1- oxo- 1- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 3- phenylpropan- 2- yl}propanamide
Smiles: COc1ccc(cc1)CCC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1

STL525840
Synonyms: (3aS,6aS)- 5- (4- methylphenyl)- 3- (pyrazin- 2- ylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NN2)C(=O)c1cnccn1

STL525841
Synonyms: (2Z)- 2- [(3Z,5alpha,8xi,9xi,14xi)- 17- hydroxyandrostan- 3- ylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C\1/CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL525842
Synonyms: 3- (2- fluorophenoxy)- 4- oxo- 4H- chromen- 7- yl4- {[N,O- bis(tert- butoxycarbonyl)- D- tyrosyl]amino}butanoate
Smiles: O=C(Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1F)CCCNC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

STL525843
Synonyms: 3- [4- (methoxycarbonyl)phenoxy]- 2- methyl- 4- oxo- 4H- chromen- 7- ylO- benzyl- N- (tert- butoxycarbonyl)tyrosinate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C

STL525844
Synonyms: [(1R,9R)- 4- (1,3- benzodioxol- 5- yl)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methylpropan- 2- ylcarbamate
Smiles: CC(NC(=O)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccc2c(c1)OCO2)C

STL525845
Synonyms: (4aR,6aS)- 6b- acetyl- 4a,6a,13- trimethyl- 3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13- octadecahydro- 2H- indeno[2,1- a]phenanthren- 2- one
Smiles: O=C1CC[C@]2(C(=C1)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C

STL525846
Synonyms: 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- N- [(1S)- 1- phenylethyl]butanamide
Smiles: O=C(N[C@H](c1ccccc1)C)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525847
Synonyms: 2- [(3aS,10cS)- 1,3- dioxo- 3,3a,4,5,6,10c- hexahydropyrrolo[3,4- c]carbazol- 2(1H)- yl]- N,N- diethylacetamide
Smiles: CCN(C(=O)CN1C(=O)[C@@H]2[C@H](C1=O)c1c(CC2)[nH]c2c1cccc2)CC

STL525848
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 10- {[2- (4- methoxyphenyl)ethyl]amino}- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1ccc(cc1)CCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

STL525849
Synonyms:
Smiles: [O]N1C(C)(C)CC2=C(C1(C)C)CCC1(O2)C(=O)CC(N(C1(C)C)[O])(C)C

STL525850
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 16,17- dihydroxy- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)C[C@H]([C@]2(O)C(=O)COC(=O)C)O

STL525851
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)(1- phenylcyclopentyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)C1(CCCC1)c1ccccc1

STL525852
Synonyms: [(4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 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(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL525853
Synonyms: (8xi,9xi,14xi)- 20- oxo- 3- (phosphonooxy)pregn- 5- ene- 17,21- diyldiacetate
Smiles: CC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OP(=O)(O)O)OC(=O)C

STL525854
Synonyms: (2E)- 3- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]- 1- (4- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(cc1)C(=O)/C=C/N1CCc2c([C@@H]1C)cc(c(c2)O)OC

STL525855
Synonyms: 2- chloro- 3- [(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]naphthalene- 1,4- dione
Smiles: O=C1C(=C(N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)c2c1cccc2)Cl

STL525856
Synonyms: (8xi,9xi,14xi)- 17- hydroxy- 3,20- dioxopregn- 4- en- 21- ylpentanoate
Smiles: CCCCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525857
Synonyms: (8xi,9xi,14xi)- 3,20- dioxopregn- 4- en- 17- ylheptanoate
Smiles: CCCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)C(=O)C

STL525858
Synonyms: (3alpha,5alpha,8xi,14xi,16alpha)- 17- hydroxy- 16- methyl- 20- oxopregn- 9(11)- en- 3- yl3- iodobenzoate
Smiles: Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2=CC[C@]2(C1C[C@H]([C@]2(O)C(=O)C)C)C)C

STL525859
Synonyms: methylN- [({[(3E,8xi,9xi,14xi)- 11,17,21- trihydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)C)C

STL525860
Synonyms: 1- (4- nitrophenyl)- 3- phenyl- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: [O-][N+](=O)c1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)c1ccccc1

STL525861
Synonyms: methyl2,3- dimethoxy- 6- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)benzoate
Smiles: COC(=O)c1c(OC)c(OC)ccc1C1NCCc2c1[nH]c1c2cccc1

STL525862
Synonyms: 4,4'- [(5xi,9xi,13xi,17xi,18xi)- lup- 20(29)- ene- 3,28- diylbis(oxy)]bis(4- oxobutanoicacid)
Smiles: O=C(OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)CCC(=O)O)C(=C)C)CCC(=O)O

STL525863
Synonyms: [2- hydroxy- 2,4,6- tris(4- methoxyphenyl)- 6- methylcyclohex- 3- en- 1- yl](4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C1(C)CC(=CC(C1C(=O)c1ccc(cc1)OC)(O)c1ccc(cc1)OC)c1ccc(cc1)OC

STL525864
Synonyms: N- [({[(3Z,8xi,9xi,14xi,17alpha)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]glycylvaline
Smiles: O=C(NCC(=O)NC(C(=O)O)C(C)C)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C

STL525865
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(2- phenylethyl)imino]card- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCc1ccccc1

STL525866
Synonyms: (8xi,14xi,16alpha,17xi)- 9- fluoro- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(C(=O)COC(=O)C)[C@@H](CC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C

STL525867
Synonyms: 4- (4- butoxyphenyl)- 4- methylazetidin- 2- one
Smiles: CCCCOc1ccc(cc1)C1(C)CC(=O)N1

STL525868
Synonyms: (1S,5R)- 3- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: [O-][N+](=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525869
Synonyms: 1- {[3- (4- fluorophenyl)- 7- hydroxy- 4- oxo- 4H- chromen- 8- yl]methyl}- L- proline
Smiles: OC(=O)[C@@H]1CCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccc(cc1)F

STL525870
Synonyms: {dimethyl3,3'- [7,12- bis(1- methoxyethyl)- 3,8,13,17- tetramethylporphyrin- 2,18- diyl- kappa~2~N~21~,N~23~]dipropanoatato(2- )}cobalt
Smiles: COC(=O)CCc1c(C)c2=CC3=NC(=Cc4n5[Co]n2c1=CC1=NC(=Cc5c(c4C(OC)C)C)C(=C1CCC(=O)OC)C)C(=C3C(OC)C)C

STL525871
Synonyms: N- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL525872
Synonyms: (10R,13S,17R)- 3- hydroxy- 10,13- dimethyl- 1,2,3,3',4',8,9,10,11,12,13,14,15,16- tetradecahydro- 5'H- spiro[cyclopenta[a]phenanthrene- 17,2'- furan]- 5'- one
Smiles: OC1CC[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)C

STL525873
Synonyms: (5s,7s)- 5,7- dimethyl- 2- (1,2,3,4- tetrahydroxybutyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: OCC(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3=O)C)C)O)O)O

STL525874
Synonyms: 1- hydroxy- 1- [1- (2- methoxybenzyl)- 5,5- dimethyl- 2- oxo- 3- (propan- 2- yl)imidazolidin- 4- yl]- 3- propan- 2- ylurea
Smiles: COc1ccccc1CN1C(=O)N(C(C1(C)C)N(C(=O)NC(C)C)O)C(C)C

STL525875
Synonyms: 1- [3- (2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)prop- 2- yn- 1- yl]azepane
Smiles: CC1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CCN1CCCCCC1

STL525876
Synonyms: (11bS,13E)- 13- (methoxyimino)- 3,3- dimethyl- 2,3,4,6,7,11b,12,13- octahydro- 1H- isoquino[2,1- a]quinolin- 1- one
Smiles: CO/N=C/1\C[C@@H]2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1

STL525877
Synonyms: 3- methoxy- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: COC1=C(S[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

STL525878
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- ylN- (tert- butoxycarbonyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)Oc1ccc2c(c1)oc(=O)cc2C)NC(=O)OC(C)(C)C

STL525879
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(4- methyl- 2- oxo- 3- propyl- 2H- chromen- 7- yl)oxy]acetate
Smiles: CCCc1c(=O)oc2c(c1C)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C

STL525880
Synonyms: 4- hydroxy- 3- [2- (2- methoxyphenyl)- 2,3- dihydro- 1,5- benzothiazepin- 4- yl]- 6- methyl- 2H- pyran- 2- one
Smiles: COc1ccccc1C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C

STL525881
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- 26- (diacetylamino)furostan- 3- ylacetate
Smiles: CC(CN(C(=O)C)C(=O)C)CCC1OC2C([C@@H]1C)[C@@]1(C(C2)C2CC[C@@H]3[C@](C2CC1)(C)CCC(C3)OC(=O)C)C

STL525882
Synonyms: 1- butyl- N- (3,4- dimethoxybenzyl)prolinamide
Smiles: CCCCN1CCCC1C(=O)NCc1ccc(c(c1)OC)OC

STL525883
Synonyms: 1- benzyl- 5- (2- 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: COc1ccccc1CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)Cc1ccccc1

STL525884
Synonyms: 3- (4- methoxyphenyl)- 4',4',6,6- tetramethyl- 3,5,6,7- tetrahydro- 2'H,4H,6'H- spiro[1- benzofuran- 2,1'- cyclohexane]- 2',4,6'- trione
Smiles: COc1ccc(cc1)C1C2=C(OC31C(=O)CC(CC3=O)(C)C)CC(CC2=O)(C)C

STL525885
Synonyms: 1- [(4aR,6aS,13aS)- 2,13a- dihydroxy- 4a,6a,13- trimethylicosahydro- 6bH- indeno[2,1- a]phenanthren- 6b- yl]ethanone
Smiles: OC1CC[C@]2([C@@](C1)(O)C(C)CC1C2CC[C@]2(C1CC1C2(CCCC1)C(=O)C)C)C

STL525886
Synonyms: (7S)- 7,10- diamino- 1,2,3- trimethoxy- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: COc1c(OC)c(OC)cc2c1c1ccc(c(=O)cc1[C@H](CC2)N)N

STL525887
Synonyms: 4- {[(8xi,9xi,14xi)- 17- (acetyloxy)- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C

STL525888
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C)C

STL525889
Synonyms: 9,10- dimethoxy- 6- (2- methoxyphenyl)- 6,6a- dihydroisoindolo[2,1- a]quinazoline- 5,11- dione
Smiles: COc1c(OC)ccc2c1C(=O)N1C2N(C(=O)c2c1cccc2)c1ccccc1OC

STL525890
Synonyms: 2- [2- methoxy- 5- (6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)benzyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL525891
Synonyms:
Smiles: CC1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C(=C)CCC[C@@]1(C2)C

STL525892
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- (4- methylpiperazin- 1- yl)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)N1CCN(CC1)C)c(OC)c(c(c2)OC)OC

STL525893
Synonyms: 4- [1- hydroxy- 2- (2- methoxyphenoxy)propyl]- 2- methoxyphenol
Smiles: COc1cc(ccc1O)C(C(Oc1ccccc1OC)C)O

STL525894
Synonyms: (8xi,14xi)- 9- fluoro- 3,20- dioxopregna- 1,4,16- triene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(=CCC2C2[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C

STL525895
Synonyms: (7S)- 1,2,3- trimethoxy- 7- (methylamino)- 10- [(pyridin- 2- ylmethyl)amino]- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCc1ccccn1)c(OC)c(c(c2)OC)OC

STL525896
Synonyms: methylN- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]phenylalaninate
Smiles: COC(=O)C(Cc1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

STL525897
Synonyms: 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: O=C1CC2N(C3=C1C(=O)CCC3)CCc1c2cccc1

STL525898
Synonyms: (5S)- 4- acetyl- 11- (propan- 2- yl)- 3,4,5,6,7,8- hexahydro- 1,5- methano- 1,4- benzodiazacycloundecine- 9,14(2H)- dione
Smiles: CC(c1ccc2c(c1)C(=O)CCC[C@@H]1C(=O)N2CCN1C(=O)C)C

STL525899
Synonyms: methyl(8xi,9xi,14xi)- 17,21- bis(acetyloxy)- 3,20- dioxopregna- 1,4- diene- 11- carboxylate
Smiles: COC(=O)C1C[C@@]2(C)C(C3C1[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL525900
Synonyms: 1- [3- (1- methyl- 5- oxo- 2- thioxoimidazolidin- 4- yl)propyl]guanidine
Smiles: NC(=N)NCCCC1NC(=S)N(C1=O)C

STL525901
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 10- (4- methylpiperazin- 1- yl)- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CCN(CC2)C)NC(=O)C)cc(c1OC)OC

STL525902
Synonyms: (4aR,6aS,6bR,9aR)- 4a,6a,8,8- tetramethyl- 2- oxo- 2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12- tetradecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- d][1,3]dioxole- 6b- carbonitrile
Smiles: N#C[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CCC1=CC(=O)CC[C@]21C)(C)C

STL525903
Synonyms: alanyltryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(N)C

STL525904
Synonyms: (4aR,6aR)- 4a,6a- dimethyl- 8- (6- methylheptan- 2- yl)- 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11- hexadecahydrochrysen- 2- yl[(6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]acetate
Smiles: CC(CCCC(C1CCC2[C@](C1)(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2cccc1)C)C

STL525905
Synonyms: 3- (4- ethoxyphenyl)- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

STL525906
Synonyms: 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl2,3,4- tri- O- acetyl- alpha- L- arabinopyranoside
Smiles: CC(=O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC1=CC(=O)c2c(C1=O)cccc2

STL525907
Synonyms: N~2~- {1- hydroxy- 2- [(phenylcarbonyl)amino]ethyl}- D- arginine
Smiles: OC(N[C@@H](C(=O)O)CCCNC(=N)N)CNC(=O)c1ccccc1

STL525908
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 17- hydroxy- 16- methyl- 3,20- dioxopregna- 1,4- diene- 11,21- diyldihexanoate
Smiles: CCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)CC(OC(=O)CCCCC)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F

STL525909
Synonyms: (8xi,9xi,14xi,16xi,17xi,20xi)- 28- acetylspirosol- 5- en- 3- ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3C2C(C)C2(O3)CCC(CN2C(=O)C)C)C)C1)C

STL525910
Synonyms: 1,3- dimethyl- 7- {2- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cn2

STL525911
Synonyms: methyl(8xi,14xi)- 17,21- bis(acetyloxy)- 9- fluoro- 3,20- dioxopregna- 1,4- diene- 11- carboxylate
Smiles: COC(=O)C1C[C@@]2(C)C(C3[C@@]1(F)[C@@]1(C)C=CC(=O)C=C1CC3)CC[C@]2(OC(=O)C)C(=O)COC(=O)C

STL525912
Synonyms: N- [({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 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(=O)C)C)C)C

STL525913
Synonyms: (8xi,9xi,14xi,17xi,20xi)- 24,24- diphenylchola- 5,23- dien- 3- ol
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C/C=C(/c2ccccc2)\c2ccccc2)C)C)C1)C

STL525914
Synonyms: 3- (4- chlorophenyl)- 4- oxo- 4H- chromen- 7- yl2,3,4,6- tetra- O- acetyl- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL525915
Synonyms: (1S)- 3- [2- hydroxy- 2- (5- methoxy- 1H- indol- 3- yl)ethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL525916
Synonyms: (1R,5R)- 3- [2- hydroxy- 3- (prop- 2- en- 1- yloxy)propyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: C=CCOCC(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL525917
Synonyms: (2E)- N- [(1Z)- 1- (6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene)ethyl]- 3- phenylprop- 2- enamide
Smiles: O=C(N/C(=C/1\C(=O)CC2C1C2(C)C)/C)/C=C/c1ccccc1

STL525918
Synonyms: 3- [7- (3,4- dimethoxyphenyl)- 2,3,6,7- tetrahydro- 1,4- thiazepin- 5- yl]- 4- hydroxy- 6- methyl- 2H- pyran- 2- one
Smiles: COc1cc(ccc1OC)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

STL525919
Synonyms: 1- hydroxy- 1- [1- (4- methoxybenzyl)- 5,5- dimethyl- 2- oxo- 3- (propan- 2- yl)imidazolidin- 4- yl]- 3- propan- 2- ylurea
Smiles: COc1ccc(cc1)CN1C(=O)N(C(C1(C)C)N(C(=O)NC(C)C)O)C(C)C

STL525920
Synonyms: 2- [(3bS,4aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]ethanol
Smiles: OCCn1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C

STL525921
Synonyms: (8xi,9xi,14xi)- 6- chloro- 3- hydroxy- 20- oxopregna- 4,6- dien- 17- ylacetate
Smiles: OC1CC[C@]2(C(=C1)C(=CC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C

STL525922
Synonyms: 4a- (propan- 2- yloxy)- 2,3,4,4a- tetrahydro- 1,4- ethanochromeno[3,2- b]pyridine
Smiles: CC(OC12Oc3ccccc3C=C2N2CC[C@@H]1CC2)C

STL525923
Synonyms: 5- (8- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,3,4,5- tetrahydro- 2H- chromeno[2,3- d]pyrimidin- 5- yl)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Oc1ccc2c(c1)Oc1c(C2C2C(=O)N(C)C(=O)N(C2=O)C)c(=O)n(c(=O)n1C)C

STL525924
Synonyms: (8xi,9xi,14xi)- 17- oxoestra- 1,3,5(10)- trien- 3- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C)CCN1CCCCC1

STL525925
Synonyms: S- [(3S,10R,13R)- 10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- yl]2- phenoxypropanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)SC(=O)C(Oc1ccccc1)C

STL525926
Synonyms: 2- ({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)- N- [2- (4- hydroxyphenyl)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)NCCc1ccc(cc1)O

STL525927
Synonyms: 6,7- dimethoxy- 3- (4- methoxyphenyl)- 1- (trichloromethyl)- 1H- isochromene
Smiles: COc1ccc(cc1)C1=Cc2cc(OC)c(cc2C(O1)C(Cl)(Cl)Cl)OC

STL525928
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}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2

STL525929
Synonyms: N- {[1- (3,4- dimethoxyphenyl)cyclopentyl]methyl}- 2,3- dihydro- 1,4- benzodioxine- 2- carboxamide
Smiles: COc1cc(ccc1OC)C1(CCCC1)CNC(=O)C1COc2c(O1)cccc2

STL525930
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}- 4- methyl- 2H- chromen- 2- one
Smiles: COc1c2c(CCN(C2C#CCOc2ccc3c(c2)oc(=O)cc3C)C)cc2c1OCO2

STL525931
Synonyms: (7S)- 10- {[3- (3,4- dihydroquinolin- 1(2H)- yl)propyl]amino}- 1,2,3- trimethoxy- 7- (methylamino)- 6,7- dihydrobenzo[a]heptalen- 9(5H)- one
Smiles: CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)NCCCN1CCCc3c1cccc3)c(OC)c(c(c2)OC)OC

STL525932
Synonyms: 1- C- [(5s,7s)- 6- hydroxy- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]dec- 2- yl]pentitol
Smiles: OCC(C(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3O)C)C)O)O)O)O

STL525933
Synonyms: 6- methoxy- 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]c1c2cc(cc1)OC

STL525934
Synonyms: (4R)- 10- bromo- 2,4- dimethyl- 4- phenyl- 5,6- dihydro- 4H- benzo[d]cyclohepta[1,2- b:3,4- b']difuran
Smiles: Brc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1

STL525935
Synonyms: 1,3- dimethyl- 5- [4- (octyloxy)benzyl]- 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: CCCCCCCCOc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL525936
Synonyms: 3- [dimethyl(3- {[(3alpha,7alpha,8xi,9xi,12alpha,14xi)- 3,7,12- trihydroxy- 24- oxocholan- 24- yl]amino}propyl)ammonio]propane- 1- sulfonate
Smiles: O[C@@H]1CC[C@]2(C(C1)C[C@H](C1C2C[C@H](O)[C@]2(C1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C

STL525937
Synonyms: phenyl2,3,4- tri- O- acetyl- alpha- L- arabinopyranoside
Smiles: CC(=O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1OC(=O)C)OC(=O)C)Oc1ccccc1

STL525938
Synonyms: (8xi,9xi,14xi)- 6- methyl- 3,20- dioxopregna- 4,6- dien- 17- ylhexanoate
Smiles: CCCCCC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2C=C(C2=CC(=O)CC[C@]12C)C)C(=O)C

STL525939
Synonyms: [(1R,9R)- 4- (furan- 2- yl)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccco1

STL525940
Synonyms: methyl1- (tert- butoxycarbonyl)- D- prolyl- D- leucylglycinate
Smiles: COC(=O)CNC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CC(C)C

STL525941
Synonyms: N- (3,4- dimethoxybenzyl)- 4- oxo- 4- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]butanamide
Smiles: COc1ccc(cc1OC)CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525942
Synonyms: 2- chloro- 1,4a,5,7,8,13,13b,13c- octahydro- 4H- benzo[1,2]indolizino[8,7- b]indole
Smiles: ClC1=CCC2C(C1)C1N(C2)CCc2c1[nH]c1c2cccc1

STL525943
Synonyms: (8xi,9xi,14xi)- 3,20- dioxopregna- 1,4,16- triene- 11,21- diyldiacetate
Smiles: CC(=O)OC1C[C@]2(C)C(=CCC2C2C1[C@@]1(C)C=CC(=O)C=C1CC2)C(=O)COC(=O)C

STL525944
Synonyms: 6,7- dimethoxy- 3- (2- oxobutyl)- 2- benzofuran- 1(3H)- one
Smiles: CCC(=O)CC1OC(=O)c2c1ccc(c2OC)OC

STL525945
Synonyms: [2- methyl- 5- (prop- 1- en- 2- yl)cyclopent- 1- en- 1- yl]methylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OCC1=C(C)CCC1C(=C)C

STL525946
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi)- 12- oxospirostan- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC(=O)[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C

STL525947
Synonyms: 2- [(6- ethyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoicacid
Smiles: CCc1cc2c(C)cc(=O)oc2cc1OC(C(=O)O)C

STL525948
Synonyms: (8xi,9xi,14xi)- 6- methylidene- 3,20- dioxopregn- 4- ene- 17,21- diyldiacetate
Smiles: CC(=O)O[C@@]1(CCC2[C@]1(C)CCC1C2CC(=C)C2=CC(=O)CC[C@]12C)C(=O)COC(=O)C

STL525949
Synonyms: 6- butyl- 3- (2- methyl- 1,3- thiazol- 4- yl)- 4- oxo- 4H- chromen- 7- ylD- isoleucinate
Smiles: CCCCc1cc2c(cc1OC(=O)[C@@H](C(CC)C)N)occ(c2=O)c1csc(n1)C

STL525950
Synonyms: 4,4a,7,8,9,14,14b,14c- octahydroisoindolo[2',1':1,2]azepino[3,4- b]indol- 5(1H)- one
Smiles: O=C1C2CC=CCC2C2N1CCCc1c2[nH]c2c1cccc2

STL525951
Synonyms: {(4R)- 4- methyl- 2- [4- (propan- 2- yloxy)benzyl]- 4,5- dihydro- 1,3- oxazol- 4- yl}methanol
Smiles: OC[C@]1(C)COC(=N1)Cc1ccc(cc1)OC(C)C

STL525952
Synonyms: (2S,4aR,8aS)- 1,1,5,5- tetramethyloctahydro- 8aH- 2,4a- methanonaphthalen- 8a- ol
Smiles: CC1(C)[C@@H]2CC[C@@]3([C@]1(O)CCCC3(C)C)C2

STL525953
Synonyms: 2- methyl- 3',4'- dihydro- 1'H- spiro[cyclohex- 2- ene- 1,2'- naphthalen]- 1'- one
Smiles: CC1=CCCCC21CCc1c(C2=O)cccc1

STL525954
Synonyms: 2- {[2- (4- benzyl- 2,2- dimethyltetrahydro- 2H- pyran- 4- yl)ethyl]carbamoyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)NCCC1(CCOC(C1)(C)C)Cc1ccccc1

STL525955
Synonyms: [3- (1- benzofuran- 2- yl)oxiran- 2- yl][2- (benzyloxy)- 5- methoxyphenyl]methanone
Smiles: COc1ccc(c(c1)C(=O)C1OC1c1cc2c(o1)cccc2)OCc1ccccc1

STL525956
Synonyms: 1''- benzyl- 1'- hexadecanoyldispiro[cyclopentane- 1,2'- pyrrolidine- 3',3''- indol]- 2''(1''H)- one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CCC2(C31CCCC3)C(=O)N(c1c2cccc1)Cc1ccccc1

STL525957
Synonyms: 4- {[(8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)furosta- 5,20(22)- dien- 3- yl]oxy}- 4- oxobutanoicacid
Smiles: CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)CCC(=O)O)CNC(=O)C

STL525958
Synonyms: 1- (3- methoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1cccc(c1)C1NCCc2c1[nH]c1c2cccc1

STL525959
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethylN- {[(2- methyl- 1- phenylpropan- 2- yl)oxy]carbonyl}- L- phenylalaninate
Smiles: O=C(OC(Cc1ccccc1)(C)C)N[C@H](C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2)Cc1ccccc1

STL525960
Synonyms: 5- (1H- indol- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2OCOc2cc2c1C(N(CC2)C)n1ccc2c1cccc2

STL525961
Synonyms: N- [({[(3Z,8xi,9xi,14xi)- 11,17,21- trihydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]phenylalanine
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)O)Cc3ccccc3)/CC[C@]12C

STL525962
Synonyms: (8xi,9xi,14xi,17E)- 17- (2- carbamoylhydrazinylidene)androst- 5- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N\NC(=O)N)C)C1)C

STL525963
Synonyms: methyl(2S)- 2- [3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H,8H- chromeno[8,7- e][1,3]oxazin- 9(10H)- yl]propanoate
Smiles: COC(=O)[C@@H](N1COc2c(C1)c1oc(C)c(c(=O)c1cc2)c1ccc2c(c1)OCCO2)C

STL525964
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 16- bromo- 17- oxoandrostan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H](C2=O)Br)C)C

STL525965
Synonyms: (5xi,6alpha,8xi,9beta,17xi,24R)- 25- hydroxy- 20,24- epoxy- 9,19- cyclolanostane- 3,6,16- triyltriacetate
Smiles: CC(=O)O[C@H]1CC2[C@]3(C)CC(C([C@@]3(C)CC[C@]32[C@@]2(C1C(C)(C)C(CC2)OC(=O)C)C3)[C@]1(C)CC[C@@H](O1)C(O)(C)C)OC(=O)C

STL525966
Synonyms: (5alpha,8xi,9xi,14xi)- 3,17- dioxoandrostane- 5- carbonitrile
Smiles: N#C[C@]12CCC3C([C@@]2(C)CCC(=O)C1)CC[C@]1(C3CCC1=O)C

STL525967
Synonyms: N- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 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

STL525968
Synonyms: (10R,13S,16R,17R)- 16,17- 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)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1

STL525969
Synonyms: (5alpha,8xi,9xi,14xi)- 3,20- dioxopregnane- 17,21- diyldiacetate
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)COC(=O)C)C)C

STL525970
Synonyms: (5alpha,8xi,14xi,16xi,17xi)- spirost- 9(11)- en- 3- ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2=CC[C@]2(C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C)C)C

STL525971
Synonyms: 1- benzyl- 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- (thiophen- 2- ylmethyl)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)Cc1cccs1

STL525972
Synonyms: methylN~2~- [({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]- 6- iminolysinate
Smiles: COC(=O)C(NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C)CCCC(=N)N

STL525973
Synonyms: 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}- 1- phenylpyrimidine- 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)c1ccccc1

STL525974
Synonyms: N'- [(3Z)- 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)CN1c2ccccc2/C(=N/NC(=O)c2cccnc2)/C1=O

STL525975
Synonyms: (2S,5R,6R)- 6- ({[(4- ethyl- 2,3- dioxopiperazin- 1- yl)amino](phenyl)acetyl}amino)- 3,3- dimethyl- 7- oxo- 4- thia- 1- azabicyclo[3.2.0]heptane- 2- carboxylicacid
Smiles: CCN1CCN(C(=O)C1=O)NC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1

STL525976
Synonyms: 1,3- dimethyl- 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- [4- (propan- 2- yloxy)benzyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC(Oc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)C

STL525977
Synonyms: (11bR,12R)- 9,10- dimethoxy- 3,3,12- trimethyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: COc1cc2c(cc1OC)CCN1[C@@H]2[C@@H](C)C(=O)C2=C1CC(CC2=O)(C)C

STL525978
Synonyms: ({[(3Z,8xi,9xi,14xi)- 11,17,21- trihydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)aceticacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)O)/CC[C@]12C

STL525979
Synonyms: phenyl{[(2Z)- 2- [(phenylcarbonyl)amino]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enoyl]amino}aceticacid
Smiles: COc1cc(/C=C(/C(=O)NC(c2ccccc2)C(=O)O)\NC(=O)c2ccccc2)cc(c1OC)OC

STL525980
Synonyms: 1- [(1S)- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl]methanamine
Smiles: NC[C@@H]1CCCc2c1[nH]c1c2cc(cc1)C

STL525981
Synonyms: (8xi,9xi,14xi)- androst- 5- ene- 3,17- diyldiacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2OC(=O)C)C)C1)C

STL525982
Synonyms: N- {(2E)- 2- [(phenylcarbonyl)amino]- 3- [3- (propan- 2- yloxy)phenyl]prop- 2- enoyl}alanine
Smiles: CC(Oc1cccc(c1)/C=C(\C(=O)NC(C(=O)O)C)/NC(=O)c1ccccc1)C

STL525983
Synonyms: [(4R)- 2- ethyl- 2- methyl- 4- (4- methylphenyl)tetrahydro- 2H- pyran- 4- yl]aceticacid
Smiles: CCC1(C)OCC[C@@](C1)(CC(=O)O)c1ccc(cc1)C

STL525984
Synonyms: (9aS)- 9a- {(1E,3E)- 4- [4- (dimethylamino)phenyl]buta- 1,3- dien- 1- yl}- 9,9- dimethyl- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2[C@@](N1)(/C=C/C=C/c1ccc(cc1)N(C)C)C(c1c2cccc1)(C)C

STL525985
Synonyms: methyl(5Z)- 2,2- dimethyl- 5- [(methylamino)methylidene]- 4,6- dioxocyclohexanecarboxylate
Smiles: CN/C=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C

STL525986
Synonyms: pentyl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O

STL525987
Synonyms: dimethyl(2S,3aR,8aS)- 8- (phenylsulfonyl)- 3,3a,8,8a- tetrahydropyrrolo[2,3- b]indole- 1,2(2H)- dicarboxylate
Smiles: COC(=O)N1[C@@H](C[C@H]2[C@@H]1N(c1c2cccc1)S(=O)(=O)c1ccccc1)C(=O)OC

STL525988
Synonyms: N'- [(E)- (4- methoxy- 3- {2- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]ethyl}phenyl)methylidene]- 2- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,
Smiles: COc1ccc(cc1CCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)/C=N/NC(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL525989
Synonyms: (3R)- 1- bromo- 2,2,3- trimethylcyclopentane- 1,3- dicarboxylicacid
Smiles: OC(=O)[C@]1(C)CCC(C1(C)C)(Br)C(=O)O

STL525990
Synonyms: N- (4- methoxy- 2- nitrophenyl)- D- arabinofuranosylamine
Smiles: OC[C@H]1OC([C@H]([C@@H]1O)O)Nc1ccc(cc1[N+](=O)[O-])OC

STL525991
Synonyms: N- {(2Z)- 2- [(phenylcarbonyl)amino]- 3- [4- (propan- 2- yloxy)phenyl]prop- 2- enoyl}alanine
Smiles: CC(Oc1ccc(cc1)/C=C(/C(=O)NC(C(=O)O)C)\NC(=O)c1ccccc1)C

STL525992
Synonyms:
Smiles: CC1OC(C)CN(C1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2

STL525993
Synonyms: 1- cyclohexyl- 5- (4- methoxybenzyl)- 5- {[(1R)- 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(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)C1CCCCC1

STL525994
Synonyms: 3- (2- fluorophenyl)- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccccc1F

STL525995
Synonyms: 4- (3,4- dimethoxyphenyl)- 4- oxo- 2- (3,4,5- trimethoxyphenyl)butanenitrile
Smiles: N#CC(c1cc(OC)c(c(c1)OC)OC)CC(=O)c1ccc(c(c1)OC)OC

STL525996
Synonyms: N- {(6Z)- 6- [(10R,13S)- 3- hydroxy- 10,13- dimethyl- 16- oxo- 1,2,3,4,7,8,9,10,11,12,13,14,15,16- tetradecahydro- 17H- cyclopenta[a]phenanthren- 17- ylidene]- 5- oxoheptan- 2- yl}acetamide(non- preferredname)
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC(=O)/C/2=C(\C(=O)CCC(NC(=O)C)C)/C)C)C1)C

STL525997
Synonyms: methyl2- acetyl- 1- (2,3,4- trimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccc(c(c1OC)OC)OC)[nH]c1c2cccc1

STL525998
Synonyms: 1- [(2xi,3beta,15beta,16xi,20xi)- curan- 1- yl]ethanone
Smiles: CCC1CN2CC[C@@]34[C@H]2C[C@H]1C(C)C3N(C(=O)C)c1c4cccc1

STL525999
Synonyms: 6- (benzyloxy)- 1- {4- methoxy- 3- [(4- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL526000
Synonyms: (8xi,9xi,14xi,17alpha)- 17,21- epoxypregna- 4,6- dien- 3- ol
Smiles: OC1CC[C@]2(C(=C1)C=CC1C2CC[C@]2(C1CC[C@]12CCO1)C)C

STL526001
Synonyms: methyl2- acetyl- 1- (pyridin- 3- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1cccnc1)[nH]c1c2cccc1

STL526002
Synonyms: 2- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)acetamide
Smiles: NC(=O)CC1OC(=O)c2c1cccc2

STL526003
Synonyms: N- [({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]glycyltryptophan
Smiles: O=C(NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL526004
Synonyms: (5Z)- 1- (4- iodophenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Ic1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O

STL526005
Synonyms: (2xi,3beta,15beta,16xi,20xi)- curan
Smiles: CCC1CN2CC[C@@]34[C@H]2C[C@H]1C(C)C3Nc1c4cccc1

STL526006
Synonyms: 1- {3- [(2,4- dichlorophenoxy)methyl]- 4- methoxyphenyl}- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccc(cc1Cl)Cl)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526007
Synonyms: 2- [2- methoxy- 5- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)benzyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C1NCCc2c1[nH]c1c2cccc1

STL526008
Synonyms: N'- {(E)- [4- (dimethylamino)phenyl]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: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)N(C)C)C)cc2c1OCO2

STL526009
Synonyms: (1R,7aR)- 6- chloro- 7- (methylamino)hexahydro- 1H- pyrrolizin- 1- ol
Smiles: CNC1C(Cl)CN2[C@H]1[C@H](O)CC2

STL526010
Synonyms: 1- (3,4,5- trimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1cc(cc(c1OC)OC)C1NCCc2c1[nH]c1c2cccc1

STL526011
Synonyms: (5Z)- 1- (4- methylphenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/NN2CCCCC2c2cccnc2)/C1=O

STL526012
Synonyms: (5R)- 3- (4- hydroxy- 3- iodo- 5- methoxybenzyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1cc(CN2C[C@H]3CC(C2)c2n(C3)c(=O)ccc2)cc(c1O)I

STL526013
Synonyms: methyl1- [3- (1H- benzotriazol- 1- ylmethyl)- 4- methoxyphenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1NC(c2ccc(c(c2)Cn2nnc3c2cccc3)OC)c2c(C1)c1ccccc1[nH]2

STL526014
Synonyms: 1- [3- (1H- benzotriazol- 1- ylmethyl)- 4- methoxyphenyl]- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526015
Synonyms: 1,3- dimethyl- 5- (4- methylbenzyl)- 5- {[(1R)- 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: Cc1ccc(cc1)CC1(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526016
Synonyms: 1- (4- methoxyphenyl)- 5- [(8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl)methyl]- 5- [4- (propan- 2- yl)benzyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C(C)C

STL526017
Synonyms: 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]- N'- [(1E)- 2- methylpropylidene]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/C(C)C)C)cc2c1OCO2

STL526018
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- (2,4,6- trimethylphenyl)- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1c(C)cc(cc1C)C

STL526019
Synonyms: N- [4- ({2- methoxy- 5- [(E)- (2- {[2- (pyridin- 3- yl)piperidin- 1- yl]acetyl}hydrazinylidene)methyl]benzyl}oxy)phenyl]acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=N/NC(=O)CN1CCCCC1c1cccnc1

STL526020
Synonyms: (5Z)- 1- (2- chlorophenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\NN1CCCCC1c1cccnc1)c1ccccc1Cl

STL526021
Synonyms: 2- (6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)phenol
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1ccccc1O

STL526022
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl4- methylbenzoate
Smiles: Cc1ccc(cc1)C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL526023
Synonyms: 1- hydroxy- 2- {[(1R,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonyl}anthracene- 9,10- dione
Smiles: O=C(c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526024
Synonyms: 5- [(5- bromothiophen- 2- yl)methyl]- 1,3- dimethyl- 5- {[(1R)- 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: Brc1ccc(s1)CC1(CN2CC3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526025
Synonyms: 3- (4- methoxyphenyl)- 4- oxo- 7- [(2,3,4,6- tetra- O- acetyl- beta- D- glucopyranosyl)oxy]- 4H- chromen- 5- ylacetate
Smiles: COc1ccc(cc1)c1coc2c(c1=O)c(OC(=O)C)cc(c2)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL526026
Synonyms: (4aR,13bS,14aR)- 1- (prop- 2- en- 1- yl)- 1,2,3,4,4a,5,7,8,13,13b,14,14a- dodecahydro- 5,14- ethanoindolo[2',3':3,4]pyrido[1,2- g][1,6]naphthyridine
Smiles: C=CCN1CCC[C@H]2[C@@H]1C1CCC2N2[C@@H]1c1[nH]c3c(c1CC2)cccc3

STL526027
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 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)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O

STL526028
Synonyms: 4- [5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1H- tetrazol- 1- yl]- N'- [(E)- (4- nitrophenyl)methylidene]benzohydrazide
Smiles: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-])C)cc2c1OCO2

STL526029
Synonyms: (1S,5S)- 3- {[4- ethoxy- 3- (1- methyl- 7- oxo- 3- propyl- 6,7- dihydro- 1H- pyrazolo[4,3- d]pyrimidin- 5- yl)phenyl]sulfonyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526030
Synonyms: (1R,5S)- 3- (benzo[cd]indol- 2- yl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)C1=Nc2c3c1cccc3ccc2

STL526031
Synonyms: 1- [5- bromo- 2- (pyridin- 2- ylmethoxy)phenyl]- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1cc(Br)ccc1OCc1ccccn1

STL526032
Synonyms: 2- [(3S)- 3- methylpiperidin- 1- yl]- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: C[C@H]1CCCN(C1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL526033
Synonyms: 1- {3- [(2,3- dimethylphenoxy)methyl]- 4- methoxyphenyl}- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1cccc(c1C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526034
Synonyms: (1S)- 3- {2- methoxy- 5- [(1E)- 3- oxo- 3- (thiophen- 2- yl)prop- 1- en- 1- yl]benzyl}- 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=C/C(=O)c1cccs1

STL526035
Synonyms: ethyl(3alpha,7alpha,8xi,12alpha,17xi,20S)- 3,7,12- trihydroxycholan- 24- oate
Smiles: CCOC(=O)CC[C@@H](C1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1C2[C@H](O)CC2[C@]1(C)CC[C@H](C2)O)C

STL526036
Synonyms: 5- {[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methyl}- 1,3- dimethyl- 5- [4- (propan- 2- yloxy)benzyl]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC1(Cc2ccc(cc2)OC(C)C)C(=O)N(C)C(=O)N(C1=O)C

STL526037
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl(diphenoxyphosphoryl)carbamate
Smiles: O=C(NP(=O)(Oc1ccccc1)Oc1ccccc1)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL526038
Synonyms: 1- (4- ethoxyphenyl)- 5- (4- methylbenzyl)- 5- {[(1R)- 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)(CN1CC2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(cc1)C

STL526039
Synonyms: N'- [(E)- (4- chlorophenyl)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: COc1c2c(CCN(C2c2nnnn2c2ccc(cc2)C(=O)N/N=C/c2ccc(cc2)Cl)C)cc2c1OCO2

STL526040
Synonyms: glycylasparagine
Smiles: NCC(=O)NC(C(=O)O)CC(=O)N

STL526041
Synonyms: (8R,8aS,13aR)- 8- (2,2- dimethylpropanoyl)- 8,8a,9,10,13a,13b- hexahydro- 9,12- epoxyoxepino[4',5':3,4]pyrrolo[2,1- a]isoquinolin- 13(12H)- one
Smiles: O=C1C2OCC(O2)[C@H]2[C@@H]1C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STL526042
Synonyms:
Smiles: CC1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526043
Synonyms: (3beta)- cholest- 5- en- 3- yl2- (trimethylammonio)ethylphosphate
Smiles: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OP(=O)(OCC[N+](C)(C)C)[O-])C)C

STL526044
Synonyms: (3R,5S)- 1,6- bis(2,4- dimethoxyphenyl)dispiro[2.1.2.3]decan- 4- one
Smiles: COc1cc(OC)ccc1C1C[C@@]21CCC[C@]1(C2=O)CC1c1ccc(cc1OC)OC

STL526045
Synonyms: (3aR,6R,9aR,11aR)- 2- (4- methoxyphenyl)- 6,9a- dimethyl- 1,3- dioxo- 12- (propan- 2- yl)hexadecahydro- 3b,11- ethenonaphtho[2,1- e]isoindole- 6- carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

STL526046
Synonyms: 6- hydroxy- 9- methyl- 3- [(2- methylpropoxy)methyl]- 2- oxaspiro[4.5]dec- 6- ene- 1,8- dione
Smiles: CC(COCC1OC(=O)C2(C1)CC(C)C(=O)C=C2O)C

STL526047
Synonyms: 4- {[(5xi,9xi,13xi,17xi,18xi)- 28- (acetyloxy)lup- 20(29)- en- 3- yl]oxy}- 4- oxobutanoicacid
Smiles: O=C(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)CCC(=O)O

STL526048
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- {2- [(3- methylphenyl)amino]- 2- oxoethyl}tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1cccc(c1)C)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526049
Synonyms: 1- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)CSc1nncn1C

STL526050
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- {[2- (3,4- dihydroxyphenyl)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)NCCc1ccc(c(c1)O)O

STL526051
Synonyms: 1- [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]ethanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)CSc1nnc(s1)C

STL526052
Synonyms: 2- cyclohexyl- 6- phenyl- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1CN(C2CCCCC2)C(=O)C2N1C(c1ccccc1)c1c(C2)c2c([nH]1)cccc2

STL526053
Synonyms: (2E,5xi,9xi,13xi,17xi,18xi)- 2- (2- methoxybenzylidene)- 3- oxolup- 20(29)- en- 28- oicacid
Smiles: COc1ccccc1/C=C/1\C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C

STL526054
Synonyms: 3- (1- {2- [(4- tert- butylphenyl)sulfonyl]ethyl}piperidin- 2- yl)pyridine
Smiles: O=S(=O)(c1ccc(cc1)C(C)(C)C)CCN1CCCCC1c1cccnc1

STL526055
Synonyms: (8xi,9xi,14xi)- 3- methoxy- 17- [(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethynyl]estra- 1,3,5(10)- trien- 17- ol
Smiles: COc1c2c(CCN(C2C#CC2(O)CCC3[C@]2(C)CCC2C3CCc3c2ccc(c3)OC)C)cc2c1OCO2

STL526056
Synonyms: 8- (butan- 2- ylamino)- 3- methyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC(Nc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C)C

STL526057
Synonyms: (3aR,5aR,8aS,8bR)- N- {2- [(4- bromophenyl)amino]- 2- oxoethyl}- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1ccc(cc1)Br)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526058
Synonyms: Nalpha- (ethoxycarbonyl)- N- [2- (1H- indol- 3- yl)ethyl]- D- tryptophanamide
Smiles: CCOC(=O)N[C@@H](C(=O)NCCc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2

STL526059
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(pyridin- 4- ylmethyl)imino]card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)CCC(C2)O)O)O

STL526060
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCSCC1)CC1[C@](C2)(C)CCC[C@]21OC2

STL526061
Synonyms: 1- (4- bromophenyl)- 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)Br)C)cc2c1OCO2

STL526062
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN[C@H]1COC(O[C@H]1c1ccccc1)(C)C)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526063
Synonyms: 4- (4- hydroxyphenyl)- 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)butan- 2- one
Smiles: COc1c2c(CCN(C2CC(=O)CCc2ccc(cc2)O)C)cc2c1OCO2

STL526064
Synonyms: 1- [(benzyloxy)carbonyl]prolylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C1CCCN1C(=O)OCc1ccccc1

STL526065
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccc3c(c1)OCO3)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526066
Synonyms: [(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl](5- methylfuran- 2- yl)methanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)c1ccc(o1)C

STL526067
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)- 2- (3- iodobenzylidene)- 3- oxolup- 20(29)- en- 28- oicacid
Smiles: Ic1cccc(c1)/C=C\1/C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C

STL526068
Synonyms: 5- methoxy- 3- {2- [(4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)amino]ethyl}- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OC1CCC3[C@]1(C)CCC1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O

STL526069
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl5- [(4- methoxybenzyl)amino]- 5- oxopentanoate
Smiles: COc1ccc(cc1)CNC(=O)CCCC(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL526070
Synonyms: (3aR,4S,9aS,9bR)- 3,6,9- trimethyl- 2,7- dioxo- 2,3,3a,4,5,7,9a,9b- octahydroazuleno[4,5- b]furan- 4- ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C

STL526071
Synonyms: (5alpha,8xi,9xi,14xi,16alpha)- 16,17- epoxypregnane- 3,20- dione
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(O1)C(=O)C)C)C

STL526072
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17xi)- 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(C1CCC2C(=O)C)C)C

STL526073
Synonyms: hexyl2- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]benzoate
Smiles: CCCCCCOC(=O)c1ccccc1NC1OC(=O)c2c1ccc(c2OC)OC

STL526074
Synonyms: (1Z)- 1- (4- fluorophenyl)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)F)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526075
Synonyms: [(4,5- dimethoxy- 7,11,12- trioxo- 1,2,2b,8,9,9a,9b,10,11,12- decahydro- 7H- 2a,10- methano- 6b,12a- diazacyclobuta[4,5]cycloocta[1,2,3- jk]fluoren- 9- yl)oxy]aceticacid
Smiles: COc1cc2N3C(=O)CC(C4C3C(c2cc1OC)C12CCN2C(=O)C(=O)C4C1)OCC(=O)O

STL526076
Synonyms: (8xi,9xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [2- (2- hydroxyethyl)hydrazinylidene]card- 20(22)- enolide
Smiles: OCCN/N=C/[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL526077
Synonyms: (8xi,9xi,14xi,17xi)- 3- hydroxy- 21- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)pregn- 5- en- 20- one
Smiles: COc1c2c(CCN(C2CC(=O)C2CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)C)cc2c1OCO2

STL526078
Synonyms:
Smiles: COCCCNCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526079
Synonyms:
Smiles: COc1ccc(cc1)CCNCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526080
Synonyms: (5E)- 1- (4- ethoxyphenyl)- 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: CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O

STL526081
Synonyms: 6,7,8,9,9a,10,11,12,13,14- decahydro- 2H- benzimidazo[2,1- e]acridin- 2- one
Smiles: O=C1C=CC2=NC34N(C2=C1)C1=C(CCCC1)CC4CCCC3

STL526082
Synonyms: 3,3,6- trimethyl- 2,3,4,7- tetrahydro- 1H- indolo[2,3- c]quinolin- 1- ol
Smiles: OC1CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2

STL526083
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccncc1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526084
Synonyms: 3- [(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]propanenitrile
Smiles: C[C@@H]1N(CCC#N)CCc2c1cc(OC)c(c2)OC

STL526085
Synonyms: (3E)- 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 4- (4- methoxy- 2,3,6- trimethylphenyl)but- 3- en- 2- one
Smiles: COc1cc(C)c(c(c1C)C)/C=C/C(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526086
Synonyms: (8xi,14xi,17xi,19E)- 19- {[2- (3,4- dimethoxyphenyl)ethyl]imino}- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: COc1cc(CC/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC

STL526087
Synonyms: (2E)- 2- [(5alpha,8xi,9xi,14xi,17xi,20E)- 3- hydroxypregnan- 20- ylidene]hydrazinecarbothioamide
Smiles: OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2/C(=N/NC(=S)N)/C)C)C

STL526088
Synonyms: [4- (4- bromophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolin- 6- yl](morpholin- 4- yl)methanone
Smiles: Brc1ccc(cc1)C1Nc2c(C3C1CC=C3)cccc2C(=O)N1CCOCC1

STL526089
Synonyms: 2- propyl- 5,6,11,11a- tetrahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indole- 1,3(2H)- dione
Smiles: CCCN1C(=O)C2N(C1=O)Cc1c(C2)c2ccccc2[nH]1

STL526090
Synonyms: 5- (1H- indol- 3- ylmethyl)- 3- phenylimidazolidine- 2,4- dione
Smiles: O=C1NC(C(=O)N1c1ccccc1)Cc1c[nH]c2c1cccc2

STL526091
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526092
Synonyms: (1S,5S)- N- [2- (3,4- dimethoxyphenyl)ethyl]- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccc(cc1OC)CCNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526093
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCCCCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526094
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 5,14- dihydroxy- 19- (prop- 2- en- 1- ylimino)card- 20(22)- enolide
Smiles: C=CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O

STL526095
Synonyms: (8xi,9xi,14xi)- 17- oxoestra- 1,3,5(10)- trien- 3- yl3- (3,3- dimethylpiperidin- 1- yl)propanoate
Smiles: O=C(Oc1ccc2c(c1)CCC1C2CC[C@]2(C1CCC2=O)C)CCN1CCCC(C1)(C)C

STL526096
Synonyms: (8xi,14xi,17xi,19E)- 19- ({3- [bis(2- hydroxyethyl)amino]propyl}imino)- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OCCN(CCO)CCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL526097
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 5,14- dihydroxy- 19- [(2- phenylethyl)imino]card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccccc1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

STL526098
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxoandrostan- 3- yl3- (3,3- dimethylpiperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)CCN1CCCC(C1)(C)C

STL526099
Synonyms: (3S,11E)- 14,16- dihydroxy- 3- methyl- 7- [(2- phenylethyl)amino]- 3,4,5,6,7,8,9,10- octahydro- 1H- 2- benzoxacyclotetradecin- 1- one
Smiles: C[C@H]1CCCC(CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O)NCCc1ccccc1

STL526100
Synonyms: (3aR,5aR,8aS,8bR)- N- benzyl- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)NCc1ccccc1

STL526101
Synonyms: (13E,15S)- N- [4- (furan- 2- yl)butan- 2- yl]- 15- hydroxy- 9- oxoprost- 13- en- 1- amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(CCc1ccco1)C)O

STL526102
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccc(cc1)F)CC1[C@](C2)(C)CCCC1=C

STL526103
Synonyms: 5- (2,4- dimethoxybenzyl)- 1- methyl- 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: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)C

STL526104
Synonyms: (5xi,9xi,13xi,17xi,18xi)- lup- 20(29)- ene- 3,28- diylbis(4- methylbenzenesulfonate)
Smiles: Cc1ccc(cc1)S(=O)(=O)OCC12CC[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

STL526105
Synonyms: 2- ammonio- 4- oxo- 4- (3,4,5- trichlorothiophen- 2- yl)butanoate
Smiles: [NH3+]C(C(=O)[O-])CC(=O)c1sc(c(c1Cl)Cl)Cl

STL526106
Synonyms: [(1R,3S)- 3- (7- methoxy- 2- methyl- 1H- indol- 3- yl)- 2,2- dimethylcyclopropyl]acetonitrile
Smiles: COc1cccc2c1[nH]c(c2[C@H]1[C@H](C1(C)C)CC#N)C

STL526107
Synonyms: ethylN- [(1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yloxy)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)OC1CCN2C1=Nc1ccccc1C2

STL526108
Synonyms: (1S,5R)- N- (4- methoxyphenyl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccc(cc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526109
Synonyms: [4- (2- methylpropoxy)phenyl](6',7',10,11- tetramethoxyemetan- 2'- yl)methanone
Smiles: CCC1CN2CCc3c(C2CC1CC1c2cc(OC)c(cc2CCN1C(=O)c1ccc(cc1)OCC(C)C)OC)cc(c(c3)OC)OC

STL526110
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- [2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1nccs1)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526111
Synonyms: 3,4,6- tri- O- acetyl- 2- ({[4- (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)c1ccc(cc1)OCc1ccccc1

STL526112
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- [(furan- 2- ylmethyl)amino]- 4- oxobutanoate
Smiles: O=C(NCc1ccco1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526113
Synonyms: (3E)- 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- methyl- 4- (2,6,6- trimethylcyclohex- 2- en- 1- yl)but- 3- en- 2- one
Smiles: COc1c2c(CCN(C2CC(=O)/C(=C/C2C(=CCCC2(C)C)C)/C)C)cc2c1OCO2

STL526114
Synonyms: 9- methyl- 1,2,3,5,6,7- hexahydro[1,4]diazepino[3,2,1- jk]carbazol- 6- ol
Smiles: OC1CN=C2c3n(C1)c1c(C)cccc1c3CCC2

STL526115
Synonyms: O- benzyl- N- (tert- butoxycarbonyl)tyrosylalanylnorleucine
Smiles: CCCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C)C

STL526116
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- (prop- 2- en- 1- ylimino)card- 20(22)- enolide
Smiles: C=CC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL526117
Synonyms: 2- (8- methoxy- 3',3'- dimethylspiro[chromene- 2,2'- indol]- 1'(3'H)- yl)ethyl2- methylprop- 2- enoate
Smiles: COc1cccc2c1OC1(C=C2)N(CCOC(=O)C(=C)C)c2c(C1(C)C)cccc2

STL526118
Synonyms: 2- (3- {[4- chloro- 5- methyl- 2- (propan- 2- yl)phenoxy]methyl}- 4- methoxyphenyl)- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)C1CC(=O)c2c(O1)cccc2

STL526119
Synonyms: (8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl4- oxo- 4- [(pyridin- 3- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526120
Synonyms: (8xi,14xi,17xi,19E)- 19- [(furan- 2- ylmethyl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccco1)CCC(C2)O)O)O

STL526121
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(3- hydroxypropyl)imino]card- 20(22)- enolide
Smiles: OCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL526122
Synonyms: 3,4,6- tri- O- acetyl- 2- ({[4- (acetyloxy)phenyl]carbonyl}amino)- 2- deoxy- 1- O- (phenylacetyl)- D- glucopyranose
Smiles: CC(=O)O[C@@H]1[C@@H](NC(=O)c2ccc(cc2)OC(=O)C)C(OC(=O)Cc2ccccc2)O[C@@H]([C@H]1OC(=O)C)COC(=O)C

STL526123
Synonyms: methyl(1S,4aR,5S)- 5- [2- (2- formylfuran- 3- yl)ethyl]- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C=O)C

STL526124
Synonyms: (1R,5R)- 3- (5H- pyrimido[5,4- b]indol- 4- yl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)c1ncnc2c1[nH]c1c2cccc1

STL526125
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526126
Synonyms: methyl(1S,4aR,5S)- 5- [2- (2- {[(3- methoxy- 3- oxopropyl)amino]methyl}furan- 3- yl)ethyl]- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: COC(=O)CCNCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC

STL526127
Synonyms: (8xi,10xi,14xi,17xi,19E)- 19- [(2,2- dimethoxyethyl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: COC(C/N=C/C12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)OC

STL526128
Synonyms: (1Z)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (pyridin- 2- yl)ethanimine
Smiles: O/N=C(\c1ccccn1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526129
Synonyms: (3aR,6R,9aR,11aR)- 2- (4- hydroxyphenyl)- 6,9a- dimethyl- 1,3- dioxo- 12- (propan- 2- yl)hexadecahydro- 3b,11- ethenonaphtho[2,1- e]isoindole- 6- carboxylicacid
Smiles: Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

STL526130
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

STL526131
Synonyms: N- [(benzyloxy)carbonyl]- L- tryptophyl- N~6~- (tert- butoxycarbonyl)- L- lysine
Smiles: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CCCCNC(=O)OC(C)(C)C)Cc1c[nH]c2c1cccc2)OCc1ccccc1

STL526132
Synonyms: (1S,5R)- N- (2- methoxyphenyl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526133
Synonyms: (1S,5R)- N- benzyl- 8- oxo- 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)NCc1ccccc1

STL526134
Synonyms: 4- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)but- 3- yn- 2- ol
Smiles: COc1c2c(CCN(C2C#CC(O)C)C)cc2c1OCO2

STL526135
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl[3- (pentafluorophenoxy)phenyl]carbamate
Smiles: O=C(OC1CCN2C1=Nc1ccccc1C2)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STL526136
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1C)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526137
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(1- hydroxybutan- 2- yl)imino]card- 20(22)- enolide
Smiles: CCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)CO

STL526138
Synonyms: (1Z)- 1- (2,4- dimethoxyphenyl)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanimine
Smiles: O/N=C(\c1ccc(cc1OC)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526139
Synonyms: 3- (furan- 2- yl)- 3- (2- methoxyphenyl)propanimidicacid
Smiles: COc1ccccc1C(c1ccco1)CC(=N)O

STL526140
Synonyms: 2- [2- hydroxy- 3- (propan- 2- ylamino)propoxy]- 1,7- dimethyl- 1,7- dihydro- 6H- purin- 6- one
Smiles: OC(COc1nc2ncn(c2c(=O)n1C)C)CNC(C)C

STL526141
Synonyms: [(1R,3S)- 2,2- dimethyl- 3- (2- methyl- 1H- pyrrolo[3,2- h]quinolin- 3- yl)cyclopropyl]acetonitrile
Smiles: N#CC[C@@H]1[C@@H](C1(C)C)c1c(C)[nH]c2c1ccc1c2nccc1

STL526142
Synonyms: N- [(4- ethyl- 7- hydroxy- 2- oxo- 2H- chromen- 8- yl)methyl]leucine
Smiles: CCc1cc(=O)oc2c1ccc(c2CNC(C(=O)O)CC(C)C)O

STL526143
Synonyms: (8xi,14xi,17xi,19E)- 19- {[2- (cyclohex- 1- en- 1- yl)ethyl]imino}- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCC1=CCCCC1

STL526144
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN[C@H]1CCCCNC1=O)CC1[C@](C2)(C)CCCC1=C

STL526145
Synonyms: N- {[(6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]acetyl}- L- isoleucine
Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C

STL526146
Synonyms: 3- {[(2R,3R,4R)- 2,3,4,5- tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non- preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1cccc(c1)C(=O)O

STL526147
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl(2- methoxyphenyl)carbamate
Smiles: COc1ccccc1NC(=O)OC1CCN2C1=Nc1ccccc1C2

STL526148
Synonyms: docosane- 7,16- diol
Smiles: CCCCCCC(CCCCCCCCC(CCCCCC)O)O

STL526149
Synonyms: (3aS,6R,7aR)- 2- (4- methoxyphenyl)- 3- (2- methylprop- 2- en- 1- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@]3(C1CC(=C)C)C=C[C@@H](C2C(=O)O)O3

STL526150
Synonyms: 1- [(1R,2S)- 1- hydroxy- 1- phenylpropan- 2- yl]- 1- methyl- 3- phenylthiourea
Smiles: O[C@@H]([C@@H](N(C(=S)Nc1ccccc1)C)C)c1ccccc1

STL526151
Synonyms:
Smiles: CCN(CCNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)CC

STL526152
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccccn1)CC1[C@](C2)(C)CCCC1=C

STL526153
Synonyms: N- [3- (furan- 2- yl)- 3- phenylpropyl]- N- [4- (propan- 2- yloxy)benzyl]acetamide
Smiles: CC(Oc1ccc(cc1)CN(C(=O)C)CCC(c1ccco1)c1ccccc1)C

STL526154
Synonyms: (2Z,2'Z)- 2,2'- (3Z,8xi,9xi,14xi,17Z)- androst- 4- ene- 3,17- diylidenedihydrazinecarboxamide
Smiles: NC(=O)N/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)N)C)C

STL526155
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 5,16- dien- 3- yl3- (3,3- dimethylpiperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC=C2C(=O)C)C)C1)C)CCN1CCCC(C1)(C)C

STL526156
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCSCC1)CC1[C@](C2)(C)CCCC1=C

STL526157
Synonyms: methyl(1S,4aR,5S)- 5- (2- {2- [(benzylamino)methyl]furan- 3- yl}ethyl)- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCc1ccccc1)C

STL526158
Synonyms: ethyl2- [(8xi,9xi,14xi,17xi,20xi)- cholest- 5- en- 3- yloxy]- 3,3,3- trifluoro- N- [(4- methylphenyl)sulfonyl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCCC(C)C)C)C)C1)C

STL526159
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- [2- oxo- 2- (phenylamino)ethyl]tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1ccccc1)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526160
Synonyms: (8xi,9xi,14xi,17alpha)- 17- hydroxy- 3,11- dioxoandrost- 4- ene- 17- carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

STL526161
Synonyms: 6,7- dimethoxy- 2- methyl- 1- (2,3,4- trimethoxyphenyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)c1ccc(c(c1OC)OC)OC)C

STL526162
Synonyms:
Smiles: CCN(CCNCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)CC

STL526163
Synonyms: 1- (3,4- dimethoxyphenyl)- 3- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)propan- 2- one
Smiles: COc1cc(ccc1OC)CC(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526164
Synonyms: (5alpha,8xi,9xi,14xi)- 3- hydroxy- 21- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)pregn- 16- en- 20- one
Smiles: COc1c2c(CCN(C2CC(=O)C2=CCC3[C@]2(C)CCC2C3CC[C@@H]3[C@]2(C)CCC(C3)O)C)cc2c1OCO2

STL526165
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 19- {[2- (4- fluorophenyl)ethyl]imino}- 5,14- dihydroxycard- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCc1ccc(cc1)F)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

STL526166
Synonyms: 6- (3,4- dimethoxyphenyl)- 3,3,5- trimethyldihydro- 2H- pyran- 2,4(3H)- dione
Smiles: COc1ccc(cc1OC)C1OC(=O)C(C(=O)C1C)(C)C

STL526167
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCCC1)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526168
Synonyms: (15bS,17bR)- 12,15,15b,17b- tetramethyl- 2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b- icosahydro- 1H- naphtho[2',1':4,5]indeno[1,2- f]pyrido[1,2- c][1,3]oxazepin- 3- ol
Smiles: CC1CCC2N(C1)COC1C(C2C)[C@@]2(C)CCC3C(C2C1)CC=C1[C@]3(C)CCC(C1)O

STL526169
Synonyms: methyl3- {[2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCc3c(C1)cc(c(c3)OC)OC)C)cccc2

STL526170
Synonyms: 9- ethyl- 8- (1- hydroxyethyl)- 4- methyl- 2H- furo[2,3- h]chromen- 2- one
Smiles: CCc1c(oc2c1c1oc(=O)cc(c1cc2)C)C(O)C

STL526171
Synonyms: 3- (furan- 2- yl)- 3- (2- methoxyphenyl)- N- (4- methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccco1

STL526172
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- {1- [(4- methylphenyl)amino]- 1- oxopropan- 2- yl}tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: Cc1ccc(cc1)NC(=O)C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C

STL526173
Synonyms: (2Z)- 2- [(8xi,9xi,14xi,17Z)- 3- hydroxyandrost- 5- en- 17- ylidene]hydrazinecarbothioamide
Smiles: OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC/C/2=N/NC(=S)N)C)C1)C

STL526174
Synonyms: 3- [(6- acetyl- 1,3- benzodioxol- 5- yl)amino]- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1cc2OCOc2cc1C(=O)C

STL526175
Synonyms: 2- [(6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)amino]ethanol
Smiles: OCCNC1CCCc2c1[nH]c1c2cc(cc1)C

STL526176
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526177
Synonyms: (3aR,4S,9aS,9bR)- 3,6,9- trimethyl- 2,7- dioxo- 2,3,3a,4,5,7,9a,9b- octahydroazuleno[4,5- b]furan- 4- ylbutanoate
Smiles: CCCC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C

STL526178
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- oxo- 4- [(pyridin- 3- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526179
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCN1CCCCC1)CC1[C@](C2)(C)CCC[C@]21OC2

STL526180
Synonyms: 1- [(benzyloxy)carbonyl]prolylalanyl- S- methylcysteine
Smiles: CSCC(C(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C

STL526181
Synonyms: 6- phenyl- 2- propyl- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCCN1CC(=O)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2

STL526182
Synonyms: N- (4- methoxyphenyl)- 2- (pyridin- 3- yl)piperidine- 1- carboxamide
Smiles: COc1ccc(cc1)NC(=O)N1CCCCC1c1cccnc1

STL526183
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 5,14- dihydroxy- 19- [(pyridin- 2- ylmethyl)imino]card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccccn1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

STL526184
Synonyms:
Smiles: COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1CC1[C@](C3)(C)CCC[C@]31OC3)c[nH]2

STL526185
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526186
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(1- hydroxy- 2- methylpropan- 2- yl)imino]card- 20(22)- enolide
Smiles: OCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)(C)C

STL526187
Synonyms:
Smiles: CC(C1C2CCC3C1CC(C2)C3)NCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526188
Synonyms: (3aR,6R,9aR,11aR)- 2- (3- hydroxyphenyl)- 6,9a- dimethyl- 1,3- dioxo- 12- (propan- 2- yl)hexadecahydro- 3b,11- ethenonaphtho[2,1- e]isoindole- 6- carboxylicacid
Smiles: Oc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

STL526189
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- oxo- 4- [(thiophen- 2- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccs1)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526190
Synonyms: 6,7- dimethoxy- 3- [(2- methoxydibenzo[b,d]furan- 3- yl)amino]- 2- benzofuran- 1(3H)- one
Smiles: COc1cc2c(cc1NC1OC(=O)c3c1ccc(c3OC)OC)oc1c2cccc1

STL526191
Synonyms: methylN- ({(3R)- 1- [(4- methylphenyl)sulfonyl]piperidin- 3- yl}carbonyl)- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C

STL526192
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3- oxoandrost- 4- ene- 17- carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526193
Synonyms: (1R,4S)- 9,11- dimethyl- 1- (4- methylphenyl)- 4,5- dihydro- 1H,3H- 1,4- epoxy[1,4]oxazepino[4,3- a]indole
Smiles: Cc1ccc(cc1)[C@@]12OC[C@H](O1)Cn1c2c(C)c2c1ccc(c2)C

STL526194
Synonyms: (3aS,6R,7aR)- 2- (2- methylphenyl)- 1- oxo- 3- (prop- 2- en- 1- yl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxylicacid
Smiles: C=CCC1N(C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)O)c1ccccc1C

STL526195
Synonyms: N- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 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(C1CCC2O)C)C

STL526196
Synonyms: ethyl(3aS,6R,7aR)- 1- oxo- 2- phenyl- 3- (prop- 2- en- 1- yl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxylate
Smiles: C=CCC1N(c2ccccc2)C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)OCC

STL526197
Synonyms: N- (2,2- dimethoxyethyl)- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: COC(CNC1CCCc2c1[nH]c1c2cc(cc1)C)OC

STL526198
Synonyms: 5- {4- [(3,4- dichlorobenzyl)oxy]- 3- ethoxybenzyl}- 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: CCOc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526199
Synonyms: (1S)- 3- [2- oxo- 2- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526200
Synonyms: 2- [2- (4- bromophenyl)- 2- oxoethyl]1- (2- methylpropyl)(2S,4R)- 4- hydroxypyrrolidine- 1,2- dicarboxylate
Smiles: CC(COC(=O)N1C[C@@H](C[C@H]1C(=O)OCC(=O)c1ccc(cc1)Br)O)C

STL526201
Synonyms: (2Z)- N- hydroxy- 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- methylbutan- 2- imine
Smiles: O/N=C(\C(C)C)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526202
Synonyms: 2- (3,4- dimethoxyphenyl)- N- [5- (2,4- dimethoxyphenyl)pentan- 2- yl]acetamide
Smiles: COc1ccc(c(c1)OC)CCCC(NC(=O)Cc1ccc(c(c1)OC)OC)C

STL526203
Synonyms: 6- imino- 1- methyl- N- (1- phenylpropan- 2- yl)- 6,7- dihydro- 1H- purin- 2- amine
Smiles: CC(Nc1nc2nc[nH]c2c(=N)n1C)Cc1ccccc1

STL526204
Synonyms: benzyl(N'- [(benzyloxy)carbonyl]- N- {(4S)- 4- {[(benzyloxy)carbonyl]amino}- 5- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)amino]- 5- oxopentyl}carbamimidoyl)carbamate(non- preferredname)
Smiles: O=C(N/C(=N\C(=O)OCc1ccccc1)/NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1)OCc1ccccc1

STL526205
Synonyms: 2,3- dimethoxy- 6- [2- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)C

STL526206
Synonyms: 1- (1,3- benzodioxol- 5- yl)- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2ccc3c(c2)OCO3)O)C)cc2c1OCO2

STL526207
Synonyms: 6- phenyl- 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)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2

STL526208
Synonyms: 3- [(3,4- dimethoxyphenyl)amino]- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1ccc(cc1OC)NC1OC(=O)c2c1ccc(c2OC)OC

STL526209
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)- 3- (hydroxyimino)lup- 20(29)- en- 28- ylacetate
Smiles: O/N=C/1\CC[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

STL526210
Synonyms: (13E,15R)- 15- hydroxy- 9- oxo- N- (2- phenylethyl)prost- 13- en- 1- amide
Smiles: CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1)O

STL526211
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- {2- [(4- nitrophenyl)amino]- 2- oxoethyl}tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526212
Synonyms: 1- [3- (2- aminopropyl)- 1H- indol- 5- yl]ethanone
Smiles: CC(Cc1c[nH]c2c1cc(cc2)C(=O)C)N

STL526213
Synonyms: (1Z)- 1- (furan- 2- yl)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanimine
Smiles: O/N=C(\c1ccco1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526214
Synonyms: (3beta,19Z)- 2,16- didehydrocur- 19- en- 17- nitrile
Smiles: C/C=C/1\CN2CCC34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C#N

STL526215
Synonyms: (2- chlorophenyl)[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)c1ccccc1Cl

STL526216
Synonyms: ethyl(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carboxylate
Smiles: CCOC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CCN(C2)C)C

STL526217
Synonyms: 4- [(5xi,9xi,13xi,17xi,18xi)- 19,28- epoxyoleanan- 3- yloxy]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C

STL526218
Synonyms: methyl5- methyl- 3- ({2- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)C

STL526219
Synonyms:
Smiles: COc1ccccc1CCNCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

STL526220
Synonyms: N- (4- {[2- methoxy- 5- (4- oxo- 3,4- dihydro- 2H- chromen- 2- yl)benzyl]oxy}phenyl)acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C1CC(=O)c2c(O1)cccc2

STL526221
Synonyms: 2- methyl- 4- oxo- 3- phenyl- 4H- chromen- 7- yl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccccc2)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

STL526222
Synonyms: (3aR,6R,9aR,11aR)- 2- (2- hydroxyphenyl)- 6,9a- dimethyl- 1,3- dioxo- 12- (propan- 2- yl)hexadecahydro- 3b,11- ethenonaphtho[2,1- e]isoindole- 6- carboxylicacid
Smiles: O=C1N(C(=O)[C@H]2[C@@H]1C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O)c1ccccc1O

STL526223
Synonyms: (5alpha,8xi,9xi,14xi,17xi,20xi)- 5- chloro- 24,24- diphenylchol- 23- en- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@@](C1)(Cl)CCC1C2CC[C@]2(C1CCC2C(C/C=C(\c1ccccc1)/c1ccccc1)C)C)C

STL526224
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526225
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)- 3- (hydroxyimino)- 19,28- epoxyoleanan- 28- one
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC3=O)C(C)(C)CC1)C)C

STL526226
Synonyms: methyl(1S,4aR,5S)- 5- (2- {2- [(tert- butylamino)methyl]furan- 3- yl}ethyl)- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C)(C)C)C

STL526227
Synonyms:
Smiles: CC(C[C@H](C(=O)OC1C2OC(OC2O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C

STL526228
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- [4- (2- methylpropyl)phenyl]ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc(cc2)CC(C)C)C)cc2c1OCO2

STL526229
Synonyms: (8xi,9xi,14xi,17beta)- 17- hydroxy- 17- {[(1- methyl- 1H- imidazol- 2- yl)sulfanyl]methyl}androstan- 3- one
Smiles: O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@@]2(O)CSc1nccn1C)C)C

STL526230
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccc(cc1)F)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526231
Synonyms: N- [1- (9- ethyl- 9H- carbazol- 3- yl)ethyl]formamide
Smiles: O=CNC(c1ccc2c(c1)c1ccccc1n2CC)C

STL526232
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17xi)- 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(C1CCC2C(=O)C)C)C

STL526233
Synonyms: N- {2- [(4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)oxy]propanoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)C

STL526234
Synonyms: 7,7- dimethyl- 2- oxo- 1,8- dioxaspiro[4.5]decane- 4- carbothioamide
Smiles: O=C1CC(C2(O1)CCOC(C2)(C)C)C(=S)N

STL526235
Synonyms: ethyl5- methoxy- 3- ({2- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)OC

STL526236
Synonyms: O- benzyl- N- (tert- butoxycarbonyl)tyrosylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C(Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C

STL526237
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526238
Synonyms: (2,5- dimethylfuran- 3- yl)[(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methanone
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)C(=O)c1cc(oc1C)C

STL526239
Synonyms: 1- (3- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4- methoxyphenyl)- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526240
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi,20xi)- 28- acetylspirosolan- 3- ylacetate
Smiles: CC1CCC2(N(C1)C(=O)C)OC1C(C2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2)(C)CCC(C3)OC(=O)C)C

STL526241
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1cccnc1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526242
Synonyms: [(3aS)- 8- methyl- 6- oxo- 1,2,3a,4,5,6- hexahydro- 3H- 3,10b- diazaacephenanthrylen- 3- yl]acetonitrile
Smiles: N#CCN1CCn2c3[C@@H]1CCc3c(=O)c1c2ccc(c1)C

STL526243
Synonyms:
Smiles: CC(C1C2CCC3C1CC(C2)C3)NCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526244
Synonyms: 4- {[(4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCC(CC1)C(=O)O

STL526245
Synonyms: (1Z)- 1- (3,4- dimethoxyphenyl)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanimine
Smiles: O/N=C(\c1ccc(c(c1)OC)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526246
Synonyms: 2- ({[(5xi,9xi,13xi,17xi,18xi)- 3- (acetyloxy)lup- 20(29)- en- 28- yl]oxy}carbonyl)benzoicacid
Smiles: CC(=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)c1ccccc1C(=O)O)C)C

STL526247
Synonyms: 3',3'- dimethyl- 3',4',6',7',11b',12'- hexahydrospiro[1,3- dithiolane- 2,13'- isoquino[2,1- a]quinolin]- 1'(2'H)- one
Smiles: O=C1CC(C)(C)CC2=C1C1(SCCS1)CC1N2CCc2c1cccc2

STL526248
Synonyms:
Smiles: COc1cc(CNCC2C(=O)O[C@H]3[C@@H]2CC2C(=C)CCC[C@@]2(C3)C)ccc1OC

STL526249
Synonyms: 4- nitrobenzylN- [(13E,15S)- 15- hydroxy- 1,9- dioxoprost- 13- en- 1- yl]leucinate
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC(C(=O)OCc1ccc(cc1)[N+](=O)[O-])CC(C)C)O

STL526250
Synonyms: 1- (6- hydroxy- 4,7- dimethoxy- 1- benzofuran- 5- 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)c2c(O)c(OC)c3c(c2OC)cco3)C)cc2c1OCO2

STL526251
Synonyms: 1- [(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- phenoxyethanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)COc1ccccc1

STL526252
Synonyms: 6- (benzyloxy)- 1- {3- [(4- fluorophenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)F)C1NCCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL526253
Synonyms: (3S,12E)- 12- (hydroxyimino)- 3- methyl- 3,5,6,10b,11,12- hexahydro- 1H- furo[3',4':5,6]pyrido[2,1- a]isoquinolin- 1- one
Smiles: O/N=C/1\CC2N(C3=C1C(=O)O[C@H]3C)CCc1c2cccc1

STL526254
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1cccnc1)CC1[C@](C2)(C)CCCC1=C

STL526255
Synonyms: (1Z)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (2- methoxyphenyl)ethanimine
Smiles: O/N=C(\c1ccccc1OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526256
Synonyms: (1S,5S)- 3- {2- [(4- tert- butylphenyl)sulfonyl]ethyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)CCS(=O)(=O)c1ccc(cc1)C(C)(C)C

STL526257
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- [1- oxo- 1- (phenylamino)propan- 2- yl]tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C)Nc1ccccc1

STL526258
Synonyms: N- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 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(C1CCC2O)C)C)C

STL526259
Synonyms: methyl(3E,5xi,9xi,13xi,17xi,18xi)- 3- (hydroxyimino)lup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC/C(=N\O)/C3(C)C)C(=C)C

STL526260
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCN1CCOCC1)CC1[C@](C2)(C)CCC[C@]21OC2

STL526261
Synonyms: (4- ethoxyphenyl)(6',7',10,11- tetramethoxyemetan- 2'- yl)methanone
Smiles: CCOc1ccc(cc1)C(=O)N1CCc2c(C1CC1CC3N(CC1CC)CCc1c3cc(OC)c(c1)OC)cc(c(c2)OC)OC

STL526262
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl(4- acetylphenyl)carbamate
Smiles: O=C(OC1CCN2C1=Nc1ccccc1C2)Nc1ccc(cc1)C(=O)C

STL526263
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- (morpholin- 4- ylimino)card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@@]1(CCC(C2)O)/C=N/N1CCOCC1)O)O

STL526264
Synonyms:
Smiles: Fc1ccc(cc1)CCNCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526265
Synonyms: 2- (furan- 2- ylmethyl)- 6- phenyl- 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

STL526266
Synonyms: (8xi,14xi,17xi,19E)- 19- {[2- (3,4- dihydroxyphenyl)ethyl]imino}- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCc1ccc(c(c1)O)O

STL526267
Synonyms: (4aS,9bR)- N- (3- fluorophenyl)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carbothioamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=S)Nc1cccc(c1)F

STL526268
Synonyms: ethyl2- [(E)- (4,7- dimethyl- 2- oxo- 2H- chromen- 6- yl)diazenyl]- 2- ethyl- 3- oxobutanoate
Smiles: CCOC(=O)C(C(=O)C)(/N=N/c1cc2c(C)cc(=O)oc2cc1C)CC

STL526269
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi)- 3- (hydroxyimino)lup- 20(29)- en- 28- oicacid
Smiles: O/N=C/1\CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)C)C

STL526270
Synonyms: 2- oxo- N- [(3R)- 2- oxoazepan- 3- yl]- 2H- pyran- 5- carboxamide
Smiles: O=C1NCCCC[C@H]1NC(=O)c1ccc(=O)oc1

STL526271
Synonyms:
Smiles: CN(CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C)CCc1ccccn1

STL526272
Synonyms: (3S,4S,9bR)- 3,6,9- trimethyl- 2,7- dioxo- 2,3,3a,4,5,7,9a,9b- octahydroazuleno[4,5- b]furan- 4- ylchloroacetate
Smiles: ClCC(=O)O[C@H]1CC(=C2C([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=O)C)C

STL526273
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(pyridin- 3- ylmethyl)imino]card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1cccnc1)CCC(C2)O)O)O

STL526274
Synonyms: (1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl(3- chlorophenyl)carbamate
Smiles: O=C(Nc1cccc(c1)Cl)OC[C@@H]1CCCN2[C@@H]1CCCC2

STL526275
Synonyms: S- [(7alpha,8xi,9xi,14xi,17alpha)- 3- oxo- 17,21- epoxypregn- 4- en- 7- yl]ethanethioate
Smiles: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C2C1C1CC[C@]3([C@]1(CC2)C)CCO3)C

STL526276
Synonyms: (5alpha,6alpha,8xi,9xi,14xi)- 3- hydroxy- 5,6- epoxyandrostan- 17- one
Smiles: OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1CCC2=O)C)C

STL526277
Synonyms: (3aR,4S,9aS,9bR)- 3,6,9- trimethyl- 2,7- dioxo- 2,3,3a,4,5,7,9a,9b- octahydroazuleno[4,5- b]furan- 4- yl2- chlorobenzoate
Smiles: O=C1O[C@H]2[C@H]([C@@H]1C)[C@H](CC(=C1[C@@H]2C(=CC1=O)C)C)OC(=O)c1ccccc1Cl

STL526278
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yl3- (piperidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCCCC1

STL526279
Synonyms: 3- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccc3c(c2)OCCCO3)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

STL526280
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCc1ccccc1)CC1[C@](C2)(C)CCCC1=C

STL526281
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl(3,4- dimethoxybenzyl)carbamate
Smiles: COc1cc(CNC(=O)OC2CCN3C2=Nc2ccccc2C3)ccc1OC

STL526282
Synonyms: (8xi,14xi,17xi,19E)- 19- {[4- (furan- 2- yl)butan- 2- yl]imino}- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/C(CCc1ccco1)C

STL526283
Synonyms: (13E,15S)- N- (2,3- dimethoxybenzyl)- 15- hydroxy- 9- oxoprost- 13- en- 1- amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1cccc(c1OC)OC)O

STL526284
Synonyms: 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)NC1OC(=O)c2c1ccc(c2OC)OC

STL526285
Synonyms: 1,3,4,6- tetra- O- acetyl- 2- ({[4- (benzyloxy)phenyl]carbonyl}amino)- 2- deoxy- D- glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccc(cc1)OCc1ccccc1

STL526286
Synonyms: (8xi,14xi,17xi,19E)- 19- [(3,4- dimethoxybenzyl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC

STL526287
Synonyms: (1Z)- 1- (2,5- dimethoxyphenyl)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanimine
Smiles: COc1ccc(c(c1)/C(=N\O)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)OC

STL526288
Synonyms: 3- [7- (2,3- dihydroxypropyl)- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 1- yl]propyl3,4,5- trimethoxybenzoate
Smiles: OCC(Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc(OC)c(c(c1)OC)OC)c(=O)n2C)O

STL526289
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)- 2- (furan- 2- ylmethylidene)- 3- oxolup- 20(29)- en- 28- oicacid
Smiles: CC(=C)[C@@H]1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)C/C(=C/c2ccco2)/C(=O)C1(C)C)C(=O)O

STL526290
Synonyms:
Smiles: CC1CCCCN1CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526291
Synonyms:
Smiles: CCC(NCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)C

STL526292
Synonyms: 5- (3- ethoxy- 4- hydroxybenzyl)- 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: CCOc1cc(ccc1O)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526293
Synonyms: (1S,5R)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 8- oxo- 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)NC1CCS(=O)(=O)C1

STL526294
Synonyms: 6- methoxy- 1- (3,4,6- trimethylcyclohex- 3- en- 1- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)C1CC(=C(CC1C)C)C

STL526295
Synonyms: 7- (2,3- dihydroxypropyl)- 1- [3- (dimethylamino)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCCN(C)C)c(=O)n2C)O

STL526296
Synonyms: (8xi,14xi,17xi,19E)- 19- [(3,5- dimethoxybenzyl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1)OC

STL526297
Synonyms: (2R,3R,10S,13S)- 2,10,13- trimethylhexadecahydrospiro[cyclopenta[a]phenanthrene- 3,2'- thiiran]- 17- ol
Smiles: OC1CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)C[C@@H](C)[C@]1(C2)CS1

STL526298
Synonyms: 2- [4- (2- methylpropyl)phenyl]- N'- {2- [4- (2- methylpropyl)phenyl]propanoyl}propanehydrazide
Smiles: CC(c1ccc(cc1)CC(C)C)C(=O)NNC(=O)C(c1ccc(cc1)CC(C)C)C

STL526299
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yl4- methylpentanoate
Smiles: CC(CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)C

STL526300
Synonyms: methyl(1S,4aR,5S)- 5- [2- (2- {[(2- hydroxyethyl)amino]methyl}furan- 3- yl)ethyl]- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: OCCNCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC

STL526301
Synonyms: 2- [2- (1H- indol- 3- 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(CCc2c[nH]c3c2cccc3)CC(=O)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2

STL526302
Synonyms: 5- (1,3- benzodioxol- 5- yl)- 2- phenyl- 3- thioxo- 2,3,5,6,11,11a- hexahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indol- 1- one
Smiles: S=C1N(c2ccccc2)C(=O)C2N1C(c1ccc3c(c1)OCO3)c1c(C2)c2c([nH]1)cccc2

STL526303
Synonyms:
Smiles: Fc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526304
Synonyms: 8- {[3- (diethylamino)- 2- hydroxypropoxy]methyl}- 1,3,7- trimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(CC(COCc1nc2c(n1C)c(=O)n(c(=O)n2C)C)O)CC

STL526305
Synonyms: [(1R,3S)- 3- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2,2- dimethylcyclopropyl]acetonitrile
Smiles: COc1ccc2c(c1)c([C@H]1[C@H](C1(C)C)CC#N)c([nH]2)C

STL526306
Synonyms: ethyl4- {[2- ({[(3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl]carbonyl}amino)propanoyl]amino}benzoate(non- preferredname)
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C

STL526307
Synonyms: 1- (1,1,2,3,3,6- hexamethyl- 2,3- dihydro- 1H- inden- 5- 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(cc2C)C(C(C3(C)C)C)(C)C)C)cc2c1OCO2

STL526308
Synonyms: (1S)- 3- [2- (8- fluoro- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)- 2- oxoethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526309
Synonyms: (8xi,14xi,17xi,19E)- 19- [(1,3- dihydroxy- 2- methylpropan- 2- yl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: OCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)(CO)C

STL526310
Synonyms:
Smiles: C[C@@H](c1ccccc1)NCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526311
Synonyms:
Smiles: COc1ccccc1CNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526312
Synonyms: (8xi,14xi,17xi,19E)- 19- (butan- 2- ylimino)- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: CCC(/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O)C

STL526313
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1cccnc1)CC1[C@](C2)(C)CCC[C@]21OC2

STL526314
Synonyms: N- {[(4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)oxy]acetyl}- L- isoleucine
Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C

STL526315
Synonyms: 3- {[(1R,2R)- 1- hydroxy- 1- phenylpropan- 2- yl](methyl)amino}- 5- [(3- methylphenyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: Cc1cccc(c1)Nc1cc(N([C@@H]([C@@H](c2ccccc2)O)C)C)c2c3c1C(=O)c1ccccc1c3on2

STL526316
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)hexane- 2,5- dione
Smiles: COc1c2c(CCN(C2CC(=O)CCC(=O)C)C)cc2c1OCO2

STL526317
Synonyms: 3- (1H- indol- 3- yl)- 1- (2- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccccc1N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2

STL526318
Synonyms: 4- (2- bromophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 6- carboxylicacid
Smiles: OC(=O)c1cccc2c1NC(C1C2C=CC1)c1ccccc1Br

STL526319
Synonyms: (3S,7E)- 7- (hydroxyimino)- 14,16- dimethoxy- 3- methyl- 3,4,5,6,7,8,9,10,11,12- decahydro- 1H- 2- benzoxacyclotetradecin- 1- one
Smiles: O/N=C/1\CCCCCc2cc(OC)cc(c2C(=O)O[C@H](CCC1)C)OC

STL526320
Synonyms: 2- [4- methoxy- 3- (morpholin- 4- ylmethyl)phenyl]- 2,3- dihydro- 4H- chromen- 4- one
Smiles: COc1ccc(cc1CN1CCOCC1)C1CC(=O)c2c(O1)cccc2

STL526321
Synonyms: (1R,4S)- 1,9,11- trimethyl- 4,5- dihydro- 1H,3H- 1,4- epoxy[1,4]oxazepino[4,3- a]indole
Smiles: Cc1ccc2c(c1)c(C)c1n2C[C@H]2O[C@@]1(C)OC2

STL526322
Synonyms: benzyl3- O- acetyl- 4,6- O- benzylidene- 2- deoxy- 2- {[(2,2,2- trichloroethoxy)carbonyl]amino}- alpha- D- glucopyranoside
Smiles: O=C(N[C@H]1[C@@H](OCc2ccccc2)O[C@H]2[C@H]([C@@H]1OC(=O)C)OC(OC2)c1ccccc1)OCC(Cl)(Cl)Cl

STL526323
Synonyms: N- [1- (9- methyl- 9H- carbazol- 3- yl)ethyl]formamide
Smiles: O=CNC(c1ccc2c(c1)c1ccccc1n2C)C

STL526324
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17alpha)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)- N- (thiophen- 2- ylmethyl)acetamide
Smiles: O=C(NCc1cccs1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C

STL526325
Synonyms: 1- (6- fluoro- 4- oxo- 4H- chromen- 3- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: Fc1ccc2c(c1)c(=O)c(co2)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL526326
Synonyms: N- [(benzyloxy)carbonyl]valylglycyltryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CNC(=O)C(C(C)C)NC(=O)OCc1ccccc1

STL526327
Synonyms: 1- [(8xi,9xi,14xi,16xi,17xi)- 3- hydroxyspirosol- 5- en- 28- yl]butan- 1- one
Smiles: CCCC(=O)N1CC(C)CCC21OC1C([C@@H]2C)[C@@]2(C(C1)C1CC=C3[C@](C1CC2)(C)CCC(C3)O)C

STL526328
Synonyms: 5- {[({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCCCC(=O)O

STL526329
Synonyms: 2- {[3- (furan- 2- yl)- 3- phenylpropyl]carbamoyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)NCCC(c1ccco1)c1ccccc1

STL526330
Synonyms: 4- {[(13E,15S)- 15- hydroxy- 1,9- dioxoprost- 13- en- 1- yl]amino}benzoicacid
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1ccc(cc1)C(=O)O)O

STL526331
Synonyms: (3S,10S)- 10,17,17- trimethyl- 1,2,4,5,6,7,8,9,10,11,12,15,16,17- tetradecahydrospiro[cyclopenta[a]phenanthrene- 3,2'- thiirane]
Smiles: C[C@]12CC[C@]3(CC1CCC1C2CCC2=C1CCC2(C)C)CS3

STL526332
Synonyms: 4- {methyl[(7S)- 1,2,3,10- tetramethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]amino}but- 2- yn- 1- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)OCC#CCN([C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC)C

STL526333
Synonyms:
Smiles: CN(CCNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)C

STL526334
Synonyms: 5- (3,4- dimethoxybenzyl)- 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}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

STL526335
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCC1=CCCCC1)CC1[C@](C2)(C)CCCC1=C

STL526336
Synonyms: (3S,4S,9bR)- 3,6,9- trimethyl- 2,7- dioxo- 2,3,3a,4,5,7,9a,9b- octahydroazuleno[4,5- b]furan- 4- yltrichloroacetate
Smiles: O=C1O[C@H]2C([C@@H]1C)[C@@H](OC(=O)C(Cl)(Cl)Cl)CC(=C1C2C(=CC1=O)C)C

STL526337
Synonyms: (2Z,5xi,9xi,13xi,17xi,18xi)- 2- benzylidene- 3- oxolup- 20(29)- en- 28- oicacid
Smiles: CC(=C)[C@@H]1CCC2(C1C1CCC3[C@@]([C@]1(C)CC2)(C)CCC1[C@]3(C)C/C(=C/c2ccccc2)/C(=O)C1(C)C)C(=O)O

STL526338
Synonyms: ethyl5- fluoro- 3- ({2- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cc(cc2)F

STL526339
Synonyms: (2,4- dichlorophenyl)[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methanone
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)c1ccc(cc1Cl)Cl

STL526340
Synonyms: (1S,5S)- 3- [2- (ethylsulfonyl)ethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: CCS(=O)(=O)CCN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526341
Synonyms: N- [(3- {2- [(1S,5S,8aR)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)methyl]alanine
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C(=O)O)C)C

STL526342
Synonyms: 1- ({(3R)- 1- [(4- methylphenyl)sulfonyl]piperidin- 3- yl}carbonyl)- D- prolyl- L- leucylglycinamide
Smiles: CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)C)C

STL526343
Synonyms: (3aR,5aR,8aS,8bR)- N- {2- [(4- methoxy- 2- nitrophenyl)amino]- 2- oxoethyl}- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526344
Synonyms: 3- [(6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)amino]propan- 1- ol
Smiles: OCCCNC1CCCc2c1[nH]c1c2cc(cc1)C

STL526345
Synonyms: 1- [2- (diethylamino)ethyl]- 7- (2,3- dihydroxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCN(CC)CC)c(=O)n2C)O

STL526346
Synonyms: 2- methyl- 4- oxo- 3- phenyl- 4H- chromen- 7- yl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(c(c3=O)c2ccccc2)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

STL526347
Synonyms: 1,3,3,5- tetramethyl- 2,3,4,5- tetrahydro- 1H- 2- benzazepine
Smiles: CC1NC(C)(C)CC(c2c1cccc2)C

STL526348
Synonyms: (4aS,9bR)- N- (3- chlorophenyl)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carboxamide
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)Nc1cccc(c1)Cl

STL526349
Synonyms: N- [(3- {2- [(1S,5S,8aR)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)methyl]glycine
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCC(=O)O)C

STL526350
Synonyms:
Smiles: COc1ccccc1CNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526351
Synonyms: 9,11- dimethyl- 1- (4- methylphenyl)- 4,5- dihydro- 3H- [1,4]diazepino[1,2- a]indol- 4- ol
Smiles: Cc1ccc(cc1)C1=NCC(Cn2c1c(C)c1c2ccc(c1)C)O

STL526352
Synonyms: 2- methylpropyl4- {[2- methoxy- 5- (6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)benzyl]oxy}benzoate
Smiles: COc1ccc(cc1COc1ccc(cc1)C(=O)OCC(C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526353
Synonyms: 4- formyl- 2- methoxyphenyl3,4,6- tri- O- acetyl- 2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: O=Cc1ccc(c(c1)OC)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C

STL526354
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- methylbutan- 2- one
Smiles: COc1c2c(CCN(C2CC(=O)C(C)C)C)cc2c1OCO2

STL526355
Synonyms: 3',4',6',7',11b',12'- hexahydrospiro[1,3- dithiolane- 2,13'- isoquino[2,1- a]quinolin]- 1'(2'H)- one
Smiles: O=C1CCCC2=C1C1(SCCS1)CC1N2CCc2c1cccc2

STL526356
Synonyms: 6- methoxy- 1- (1- methyl- 1H- pyrazol- 4- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)c1cnn(c1)C

STL526357
Synonyms: methylN- [(benzyloxy)carbonyl]valyltryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1

STL526358
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 5,14- dihydroxy- 19- [(pyridin- 4- ylmethyl)imino]card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

STL526359
Synonyms: (3aR,5aR,8aS,8bR)- N- {1- [(2- hydroxyphenyl)amino]- 1- oxopropan- 2- yl}- 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(NC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C)Nc1ccccc1O

STL526360
Synonyms:
Smiles: CC(CNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)C

STL526361
Synonyms: 2- benzyl- 6- phenyl- 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)N2C1Cc1c(C2c2ccccc2)[nH]c2c1cccc2

STL526362
Synonyms: (1S,5R)- 3- nitroso- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=NN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526363
Synonyms:
Smiles: Clc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526364
Synonyms: 4- ({[({[(3Z,8xi,9xi,14xi)- 17- hydroxyandrost- 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(C1CCC2O)C)C

STL526365
Synonyms: (3- ethoxyphenyl)[2- (pyridin- 3- yl)piperidin- 1- yl]methanone
Smiles: CCOc1cccc(c1)C(=O)N1CCCCC1c1cccnc1

STL526366
Synonyms: (8xi,14xi,17xi,19E)- 3- [(2,6- dideoxyhexopyranosyl)oxy]- 5,14- dihydroxy- 19- {[2- (piperidin- 1- yl)ethyl]imino}card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/CCN1CCCCC1)CCC(C2)OC1CC(O)C(C(O1)C)O)O)O

STL526367
Synonyms: 8- bromo- 3- ({(E)- [6- methyl- 4- (4- methylpent- 3- en- 1- yl)cyclohex- 3- en- 1- yl]methylidene}amino)- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: CC(=CCCC1=CCC(C(C1)C)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br)C

STL526368
Synonyms: ethyl2- [(4- methyl- 2- oxo- 8- propanoyl- 2H- chromen- 7- yl)oxy]butanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1C(=O)CC)oc(=O)cc2C)CC

STL526369
Synonyms: (1S,5S)- 3- [(5- methylfuran- 3- yl)carbonyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Cc1occ(c1)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526370
Synonyms: (3beta)- cholest- 5- en- 3- yl[(6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]acetate
Smiles: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C)C

STL526371
Synonyms: N- [2- (3,4- dihydroxyphenyl)ethyl]- 2- ({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C)NCCc1ccc(c(c1)O)O

STL526372
Synonyms: (1S,5R)- N- (3,4- dimethoxybenzyl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccc(cc1OC)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526373
Synonyms: N- [({[(3E,8xi,9xi,14xi)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)acetyl]alanylnorleucine
Smiles: CC(C(=O)NC(C(=O)O)CCCC)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

STL526374
Synonyms: 1- (3,5,5,6,8,8- hexamethyl- 5,6,7,8- tetrahydronaphthalen- 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(cc2C)C(C)(C)C(CC3(C)C)C)C)cc2c1OCO2

STL526375
Synonyms: (1S,5S)- 3- (8- methyl- 5H- pyrimido[5,4- b]indol- 4- yl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1

STL526376
Synonyms:
Smiles: CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2

STL526377
Synonyms: [2- (4- methoxyphenyl)octahydroindolizin- 7- yl]methyl3,4,5- trimethoxybenzoate
Smiles: COc1ccc(cc1)C1CN2C(C1)CC(CC2)COC(=O)c1cc(OC)c(c(c1)OC)OC

STL526378
Synonyms:
Smiles: CC1CCCCN1CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526379
Synonyms: (1S,5R)- N- (4- acetylphenyl)- 8- oxo- 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)Nc1ccc(cc1)C(=O)C

STL526380
Synonyms: 1- (2,5- dimethylfuran- 3- 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)c2cc(oc2C)C)C)cc2c1OCO2

STL526381
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCCc1ccccc1)CC1[C@](C2)(C)CCC[C@]21OC2

STL526382
Synonyms: N',N''- (3Z,8xi,9xi,14xi,17Z)- androst- 4- ene- 3,17- diylidenedipyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC/C/2=N/NC(=O)c1ccncc1)C)C

STL526383
Synonyms: 1- (6- tert- butyl- 1,1- dimethyl- 2,3- dihydro- 1H- inden- 4- 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)c2cc(cc3c2CCC3(C)C)C(C)(C)C)C)cc2c1OCO2

STL526384
Synonyms: (5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yl3- (morpholin- 4- yl)propanoate
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCN1CCOCC1

STL526385
Synonyms:
Smiles: COc1cc(CCNCC2C(=O)O[C@H]3[C@@H]2CC2C(=C)CCC[C@@]2(C3)C)ccc1OC

STL526386
Synonyms: (3a'R,5a'R,8a'S,8b'R)- N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]tetrahydro- 3a'H- dispiro[cyclohexane- 1,2'- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 7',1''- cyclohexane]- 5'- carboxamide(non- preferredname)
Smiles: O=C(C1O[C@@H]2OC3(O[C@@H]2[C@@H]2[C@H]1OC1(O2)CCCCC1)CCCCC3)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STL526387
Synonyms: methyl(5Z)- 2,2- dimethyl- 4,6- dioxo- 5- {1- [(2- phenylethyl)amino]butylidene}cyclohexanecarboxylate
Smiles: CCC/C(=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCCc1ccccc1

STL526388
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526389
Synonyms:
Smiles: COc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526390
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl(4- methoxyphenyl)carbamate
Smiles: COc1ccc(cc1)NC(=O)OC1CCN2C1=Nc1ccccc1C2

STL526391
Synonyms: (2S)- 2- {[(2S)- 4- (benzyloxy)- 2- {[(benzyloxy)carbonyl]amino}- 4- oxobutanoyl]amino}pentanedioicacid(non- preferredname)
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

STL526392
Synonyms: (4aR,6aS)- 4a,6a,7- trimethyl- 2,3,4,4a,4b,5,6,6a,10,10a,10b,11- dodecahydro- 1H- naphtho[2',1':4,5]indeno[1,2- d][1,2]oxazol- 2- ylacetate
Smiles: CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3Cc3c2c(C)no3)C)C1)C

STL526393
Synonyms: 2- butyl- 6- phenyl- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCCCN1CC(=O)N2C(C1=O)Cc1c(C2c2ccccc2)[nH]c2c1cccc2

STL526394
Synonyms: ethyl4- {[({[(3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl]carbonyl}amino)acetyl]amino}benzoate(non- preferredname)
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526395
Synonyms: (8xi,9xi,14xi)- 3- hydroxy- 21- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)pregna- 5,16- dien- 20- one
Smiles: COc1c2c(CCN(C2CC(=O)C2=CCC3[C@]2(C)CCC2C3CC=C3[C@]2(C)CCC(C3)O)C)cc2c1OCO2

STL526396
Synonyms: (9bS)- N- (2- methoxyphenyl)- 5- oxo- 9b- phenyl- 2,3,5,9b- tetrahydro- 1H- imidazo[2,1- a]isoindole- 1- carboxamide
Smiles: COc1ccccc1NC(=O)N1CCN2[C@]1(c1ccccc1)c1ccccc1C2=O

STL526397
Synonyms:
Smiles: CN(CCNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)C

STL526398
Synonyms: methyl(2Z,5xi,9xi,13xi,17xi,18xi)- 2- (furan- 2- ylmethylidene)- 3- oxolup- 20(29)- en- 28- oate
Smiles: COC(=O)C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)C/C(=C/c1ccco1)/C(=O)C3(C)C)C(=C)C

STL526399
Synonyms: 5- (2,4- dimethoxybenzyl)- 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}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

STL526400
Synonyms: 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl2- (acetylamino)- 2- deoxy- beta- D- glucopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2c3CCCC2)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

STL526401
Synonyms: 1,1,1- trifluoro- 3- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)propan- 2- ol
Smiles: COc1c2c(CCN(C2CC(C(F)(F)F)O)C)cc2c1OCO2

STL526402
Synonyms: 6- [(4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- 2H- chromen- 2- one
Smiles: COc1c(OC)ccc2c1C(=O)OC2Nc1ccc2c(c1)ccc(=O)o2

STL526403
Synonyms: (13E,15S)- 15- hydroxy- N- [2- (4- hydroxyphenyl)ethyl]- 9- oxoprost- 13- en- 1- amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccc(cc1)O)O

STL526404
Synonyms: 3- {2- [(4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)amino]ethyl}- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: COc1ccc2c(c1)c(CCNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC3[C@]1(C)CC(O)C1C3CCC3=CC(=O)CC[C@]13C)c([nH]2)C(=O)O

STL526405
Synonyms: (5s,7s)- 5,7- diethyl- 2- (1,2,3,4- tetrahydroxybutyl)- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: OCC(C(C(C1N2C[C@]3(CN1C[C@@](C2)(C3=O)CC)CC)O)O)O

STL526406
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17xi)- 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(C1CCC2C(=O)C)C)C)NCc1ccncc1

STL526407
Synonyms: 5- (4- methylbenzyl)- 5- {[(1S,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: Cc1ccc(cc1)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1ccccc1

STL526408
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)F)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526409
Synonyms: 3,3,12,12- tetramethyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: O=C1CC(C)(C)CC2=C1C(=O)C(C1N2CCc2c1cccc2)(C)C

STL526410
Synonyms: 4- {[(2R,3R,4R)- 2,3,4,5- tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non- preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccc(cc1)C(=O)O

STL526411
Synonyms: 3- (1,3- benzodioxol- 5- yl)- 3- (2- methoxyphenyl)- N- [4- (propan- 2- yloxy)benzyl]propan- 1- amine
Smiles: COc1ccccc1C(c1ccc2c(c1)OCO2)CCNCc1ccc(cc1)OC(C)C

STL526412
Synonyms: 2- {[(2R,3R,4R)- 2,3,4,5- tetrakis(acetyloxy)pentanoyl]amino}benzoicacid(non- preferredname)
Smiles: CC(=O)O[C@H]([C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)C(=O)Nc1ccccc1C(=O)O

STL526413
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- {[2- (piperidin- 1- yl)ethyl]imino}card- 20(22)- enolide
Smiles: OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCN1CCCCC1

STL526414
Synonyms: 3- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)- 6,7- dimethoxy- 2- benzofuran- 1(3H)- one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1ccc2c(c1)OCCO2

STL526415
Synonyms: 6- methoxy- 1- (3- methoxy- 4- propoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: CCCOc1ccc(cc1OC)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526416
Synonyms: (8xi,14xi,17xi,19E)- 19- [(2,3- dimethoxybenzyl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: COc1c(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cccc1OC

STL526417
Synonyms: furan- 2- yl(6',7',10,11- tetramethoxyemetan- 2'- yl)methanone
Smiles: CCC1CN2CCc3c(C2CC1CC1c2cc(OC)c(cc2CCN1C(=O)c1ccco1)OC)cc(c(c3)OC)OC

STL526418
Synonyms: (8xi,14xi,17alpha)- 17- hydroxy- 3- oxoandrosta- 4,9(11)- diene- 17- carbonitrile
Smiles: N#C[C@@]1(O)CCC2[C@]1(C)CC=C1C2CCC2=CC(=O)CC[C@]12C

STL526419
Synonyms: 1,3,4,6- tetra- O- acetyl- 2- ({[2- (benzyloxy)phenyl]carbonyl}amino)- 2- deoxy- D- glucopyranose
Smiles: CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)c1ccccc1OCc1ccccc1

STL526420
Synonyms: (6aS)- 3- chloro- 5- methyl- 11- oxo- 5,6,6a,11- tetrahydroisoindolo[2,1- a]quinoline- 10- carboxylicacid
Smiles: Clc1ccc2c(c1)C(C)C[C@@H]1N2C(=O)c2c1cccc2C(=O)O

STL526421
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (pyridin- 4- yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccncc2)C)cc2c1OCO2

STL526422
Synonyms: 4- [(4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 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(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526423
Synonyms:
Smiles: CCC([C@@H]1NC(=O)/C(=C\c2ccccc2F)/NC1=O)C

STL526424
Synonyms: ethyl2- [(4- methyl- 2- oxo- 8- propanoyl- 2H- chromen- 7- yl)oxy]propanoate
Smiles: CCOC(=O)C(Oc1ccc2c(c1C(=O)CC)oc(=O)cc2C)C

STL526425
Synonyms:
Smiles: CCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526426
Synonyms: 1- (6- tert- butyl- 1,1- dimethyl- 2,3- dihydro- 1H- inden- 4- yl)- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2cc(cc3c2CCC3(C)C)C(C)(C)C)O)C)cc2c1OCO2

STL526427
Synonyms: 1- (4- hydroxy- 3,5- dimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: COc1cc(cc(c1O)OC)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL526428
Synonyms: 3- (1H- indol- 3- yl)- 1- (4- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2

STL526429
Synonyms: (1S,5S)- 3- (trichloroacetyl)- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(C(Cl)(Cl)Cl)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526430
Synonyms: 2- {[(5xi,9xi,13xi,17xi,18xi)- 19,28- epoxyoleanan- 3- yloxy]carbonyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C

STL526431
Synonyms: 1- (3,4- dichlorophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(c2ccc(c(c2)Cl)Cl)c2c(C1)c1ccccc1[nH]2

STL526432
Synonyms:
Smiles: COC(CNCC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C)OC

STL526433
Synonyms: (8xi,9xi,14xi,17alpha)- 17,21- epoxypregnan- 3- one
Smiles: O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@]12CCO1)C)C

STL526434
Synonyms: 2- hydroxy- 3,3- dimethyl- 4- [(4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)amino]butanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526435
Synonyms: N- [3- (furan- 2- yl)- 3- phenylpropyl]- N- [4- (propan- 2- yloxy)benzyl]propanamide
Smiles: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccco1)c1ccccc1

STL526436
Synonyms: 3- [(4- carboxyheptanoyl)amino]benzoicacid
Smiles: CCCC(C(=O)O)CCC(=O)Nc1cccc(c1)C(=O)O

STL526437
Synonyms: 2- [(6- bromo- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)amino]ethanol
Smiles: OCCNC1CCCc2c1[nH]c1c2cc(cc1)Br

STL526438
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNC1CCCCC1)CC1[C@](C2)(C)CCCC1=C

STL526439
Synonyms: (8xi,14xi,17xi,19E)- 19- [(2,2- dimethyltetrahydro- 2H- pyran- 4- yl)imino]- 3,5,14- trihydroxycard- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@@]1(CCC(C2)O)/C=N/C1CCOC(C1)(C)C)O)O

STL526440
Synonyms: (3aR,5aR,8aS,8bR)- N- {2- [(2- hydroxyphenyl)amino]- 2- oxoethyl}- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1ccccc1O)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526441
Synonyms: (3S,6Z)- 3- (butan- 2- yl)- 6- (2- chlorobenzylidene)piperazine- 2,5- dione
Smiles: CCC([C@@H]1NC(=O)/C(=C/c2ccccc2Cl)/NC1=O)C

STL526442
Synonyms: (1S,5S)- 3- [(2- methyl- 4,5,6,7- tetrahydro- 1- benzofuran- 3- yl)carbonyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Cc1oc2c(c1C(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)CCCC2

STL526443
Synonyms: N- (4- methoxyphenyl)- Nalpha- [(2- methylpropoxy)carbonyl]- L- tryptophanamide
Smiles: COc1ccc(cc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCC(C)C

STL526444
Synonyms:
Smiles: COc1ccc(cc1)CNCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

STL526445
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (4- methoxyphenyl)ethanol
Smiles: COc1c2c(CCN(C2CC(c2ccc(cc2)OC)O)C)cc2c1OCO2

STL526446
Synonyms: methyl(1S,4aR,5S)- 1,4a- dimethyl- 6- methylidene- 5- [2- (2- {[(2- phenylethyl)amino]methyl}furan- 3- yl)ethyl]decahydronaphthalene- 1- carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNCCc1ccccc1)C

STL526447
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCSCC1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526448
Synonyms: methyl(1S,4aR,5S)- 5- (2- {2- [(cyclohexylamino)methyl]furan- 3- yl}ethyl)- 1,4a- dimethyl- 6- methylidenedecahydronaphthalene- 1- carboxylate
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC1CCCCC1)C

STL526449
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(3,4,5- trimethoxybenzyl)imino]card- 20(22)- enolide
Smiles: COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1OC)OC

STL526450
Synonyms: 9- pentofuranosyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 9H- purin- 6- amine
Smiles: OCC1OC(C(C1O)O)n1c(N/N=C/c2cccnc2)nc2c1ncnc2N

STL526451
Synonyms: 5- {2- [(2- methoxyphenyl)amino]- 1,3- thiazol- 4- yl}- 5- methyl- 3- (2- methylpropyl)dihydrofuran- 2(3H)- one
Smiles: COc1ccccc1Nc1scc(n1)C1(C)OC(=O)C(C1)CC(C)C

STL526452
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- (4- methoxyphenyl)propan- 2- ol
Smiles: COc1c2c(CCN(C2CC(Cc2ccc(cc2)OC)O)C)cc2c1OCO2

STL526453
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- [2- (naphthalen- 1- ylamino)- 2- oxoethyl]tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526454
Synonyms: 1- (4- fluorophenyl)- 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)F)C)cc2c1OCO2

STL526455
Synonyms: methyl5,6- dimethoxy- 3- ({[(1S)- 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]3C[C@@H](C1)c1n(C3)c(=O)ccc1)cc(c(c2)OC)OC

STL526456
Synonyms: 7- (2,3- dihydroxypropyl)- 1- hexyl- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCn1c(=O)n(C)c2c(c1=O)n(cn2)CC(CO)O

STL526457
Synonyms: 1- (4,6- dimethylcyclohex- 3- en- 1- yl)- 6- methoxy- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc2c(c1)c1CCNC(c1[nH]2)C1CC=C(CC1C)C

STL526458
Synonyms: (13E,15R)- 15- hydroxy- N- (2- methoxydibenzo[b,d]furan- 3- yl)- 9- oxoprost- 13- en- 1- amide
Smiles: CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1cc2oc3c(c2cc1OC)cccc3)O

STL526459
Synonyms: methyl1- [(benzyloxy)carbonyl]prolyltryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)OCc1ccccc1

STL526460
Synonyms: (5xi,9xi,13xi,17xi,18xi)- 19,28- epoxyoleanan- 3- yltrifluoroacetate
Smiles: O=C(C(F)(F)F)OC1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC13C2C(OC1)C(C)(C)CC3)C)C

STL526461
Synonyms: 4- methoxy- 5- (5- methoxy- 1H- indol- 3- yl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline
Smiles: COc1c2c(CCN(C2c2c[nH]c3c2cc(OC)cc3)C)cc2c1OCO2

STL526462
Synonyms:
Smiles: CCOC(=O)C1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526463
Synonyms:
Smiles: O=C(N[C@@H](C(=O)OC1C2OC(OC2O[C@@H]1[C@@H]1COC(O1)(C)C)(C)C)Cc1ccccc1)OCc1ccccc1

STL526464
Synonyms: 1- [5- (3- hydroxy- 3- methylbut- 1- yn- 1- yl)thiophen- 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)c2ccc(s2)C#CC(O)(C)C)C)cc2c1OCO2

STL526465
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- methoxyphenyl)ethanimine
Smiles: O/N=C(\c1ccc(cc1)OC)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526466
Synonyms: 2- imino- 10- [4- (prop- 1- en- 2- yl)cyclohex- 1- en- 1- yl]tetrahydro- 8a,3- (epoxymethano)chromene- 3,4,4(2H,4aH)- tricarbonitrile
Smiles: N#CC12C(=N)OC3(OC1C1=CCC(CC1)C(=C)C)C(C2(C#N)C#N)CCCC3

STL526467
Synonyms: dimethyl(3E,3'E)- 3,3'- {propane- 1,2- diylbis[imino(E)methylylidene]}bis(6,6- dimethyl- 2,4- dioxocyclohexanecarboxylate)
Smiles: COC(=O)C1C(=O)/C(=C/NCC(N/C=C/2\C(=O)CC(C(C2=O)C(=O)OC)(C)C)C)/C(=O)CC1(C)C

STL526468
Synonyms: 1- cyclododecyl- 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)C2CCCCCCCCCCC2)C)cc2c1OCO2

STL526469
Synonyms: 1- (2- hydroxy- 5- methylphenyl)- 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)c2cc(C)ccc2O)C)cc2c1OCO2

STL526470
Synonyms: 7- (2,3- dihydroxypropyl)- 1- [2- (dimethylamino)ethyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCN(C)C)c(=O)n2C)O

STL526471
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526472
Synonyms: 1- (7- methyl- 4- oxo- 4H- chromen- 3- yl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: Cc1ccc2c(c1)occ(c2=O)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O

STL526473
Synonyms: (2E)- 1- (3,4- dimethoxyphenyl)- N- hydroxy- 3- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)propan- 2- imine
Smiles: O/N=C(/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)\Cc1ccc(c(c1)OC)OC

STL526474
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)C=C1[C@](C2)(C)CCC[C@@H]1C

STL526475
Synonyms: (3E,5xi,9xi,13xi,17xi,18xi,28E)- N~3~,N~28~- dihydroxylup- 20(29)- ene- 3,28- diimine
Smiles: O/N=C/C12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CC/C(=N\O)/C3(C)C)C(=C)C

STL526476
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (pyridin- 2- yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccccn2)C)cc2c1OCO2

STL526477
Synonyms: (3aR,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- {2- [(4- methylphenyl)amino]- 2- oxoethyl}tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C(Nc1ccc(cc1)C)CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL526478
Synonyms: 4- ethyl- 11- methyl- 1,2,3,3a,4,5,6,7- octahydro[1,4]diazepino[3,2,1- jk]carbazol- 6- ol
Smiles: CCN1CC(O)Cn2c3C1CCCc3c1c2ccc(c1)C

STL526479
Synonyms: 6- methoxy- 1- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1cc(ccc1OC(C)C)C1NCCc2c1[nH]c1c2cc(cc1)OC

STL526480
Synonyms: 3,3- dimethyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: O=C1CC2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cccc1

STL526481
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (3,4,5- trimethoxyphenyl)ethanone
Smiles: COc1cc(cc(c1OC)OC)C(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526482
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526483
Synonyms: (1Z)- N- hydroxy- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (pyridin- 4- yl)ethanimine
Smiles: O/N=C(\c1ccncc1)/CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526484
Synonyms: (4aS,9bR)- N,2,8- trimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indole- 5- carboxamide
Smiles: CNC(=O)N1[C@H]2CCN(C[C@H]2c2c1ccc(c2)C)C

STL526485
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxoandrostan- 3- yl4- methylpentanoate
Smiles: CC(CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C)C

STL526486
Synonyms: N- [(7S)- 1,2,3- trimethoxy- 9- oxo- 10- {[(3R)- 2- oxoazepan- 3- yl]amino}- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl]acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@@H]2CCCCNC2=O)NC(=O)C)cc(c1OC)OC

STL526487
Synonyms: (13E,15S)- 15- hydroxy- N- (4- methoxybenzyl)- 9- oxoprost- 13- en- 1- amide
Smiles: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccc(cc1)OC)O

STL526488
Synonyms: benzyl2- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonyl}pyrrolidine- 1- carboxylate
Smiles: O=C(C1CCCN1C(=O)OCc1ccccc1)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL526489
Synonyms: (1S,5R)- N- (4- methoxybenzyl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526490
Synonyms: ethylN- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonyl}glycinate
Smiles: CCOC(=O)CNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526491
Synonyms: (8xi,14xi,17xi,19E)- 3,5,14- trihydroxy- 19- [(2- methoxy- 2- oxoethyl)imino]card- 20(22)- enolide
Smiles: COC(=O)C/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O

STL526492
Synonyms: (8xi,14xi)- 17- hydroxyestra- 4,9- dien- 3- one
Smiles: O=C1CCC2=C3CC[C@]4(C(C3CCC2=C1)CCC4O)C

STL526493
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)CC1[C@](C2)(C)CCCC1=C

STL526494
Synonyms: methyl3- ({2- [(1S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cccc2

STL526495
Synonyms: (5alpha,8xi,9xi,14xi,16xi,17xi,20xi)- 28- acetylspirosolan- 3- ylpropanoate
Smiles: CCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(C)C2(O1)CCC(CN2C(=O)C)C)C)C

STL526496
Synonyms: 2- ({[(5xi,9xi,13xi,17xi,18xi)- 28- (acetyloxy)lup- 20(29)- en- 3- yl]oxy}carbonyl)benzoicacid
Smiles: CC(=O)OCC12CC[C@H](C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)O)C(=C)C

STL526497
Synonyms:
Smiles: CCC1CCCCN1CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

STL526498
Synonyms: 4- {[(4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl]oxy}- 4- oxobutanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL526499
Synonyms: N- {(1E)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}- 3- phenylpropanamide
Smiles: O=C(N/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/C)CCc1ccccc1

STL526500
Synonyms: 8- {[(1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]sulfanyl}quinoline
Smiles: C1CCN2[C@H](C1)[C@@H](CCC2)CSc1cccc2c1nccc2

STL526501
Synonyms: 2- methyl- N- [(1S,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]benzamide
Smiles: O=C(c1ccccc1C)NC[C@@H]1CCCN2[C@@H]1CCCC2

STL526502
Synonyms: 5- (3- bromo- 5- ethoxy- 4- hydroxybenzyl)- 1,3- dimethyl- 5- [(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: CCOc1cc(cc(c1O)Br)CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

STL526503
Synonyms: 7- hydroxy- 8- [(2- methylpiperidin- 1- yl)methyl]- 4- phenyl- 2H- chromen- 2- one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(=O)cc2c1ccccc1

STL526504
Synonyms: (1R,2S)- N- {(1Z)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}- 2- phenylcyclopropanecarboxamide
Smiles: O=C([C@@H]1C[C@@H]1c1ccccc1)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C

STL526505
Synonyms: methylN- (4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 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)C=C[C@]12C

STL526506
Synonyms: 2- ({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)- N- (pyridin- 4- ylmethyl)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3ccncc3)/CC[C@]12C

STL526507
Synonyms: 4- (phosphonomethyl)phenylalanine
Smiles: OC(=O)C(Cc1ccc(cc1)CP(=O)(O)O)N

STL526508
Synonyms: N- {(1Z)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}quinoline- 6- carboxamide
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccc2c(c1)cccn2

STL526509
Synonyms: (2R)- 2- amino- 7- phosphonoheptanoicacid
Smiles: N[C@@H](C(=O)O)CCCCCP(=O)(O)O

STL526510
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 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)C=C[C@]12C)CCC(=O)ON1C(=O)CCC1=O

STL526511
Synonyms: N- {3- methyl- 1- oxo- 1- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]pentan- 2- yl}acetamide
Smiles: CCC(C(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)C)C

STL526512
Synonyms: 3- benzyl- 8- (cyclopent- 1- en- 1- yl)- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: c1ccc(cc1)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1=CCCC1

STL526513
Synonyms: tert- butyl4- [(tert- butoxycarbonyl)amino]- 5- oxo- 5- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]pentanoate
Smiles: O=C(OC(C)(C)C)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)OC(C)(C)C

STL526514
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- {[2- (2,2- dimethyl- 4- phenyltetrahydro- 2H- pyran- 4- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1

STL526515
Synonyms: tert- butyl{4- methyl- 1- oxo- 1- [(1R,5R)- 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: CC(CC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)OC(C)(C)C)C

STL526516
Synonyms: N- [(3,4,5- trimethoxyphenyl)carbonyl]phenylalanine
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(C(=O)O)Cc1ccccc1

STL526517
Synonyms: methylN- (4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 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)C=C[C@]12C

STL526518
Synonyms: 1- (2- hydroxy- 4- methoxyphenyl)- 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(cc2O)OC)C)cc2c1OCO2

STL526519
Synonyms: (8xi,9xi,14xi,16alpha,17xi,20E)- 16- hydroxy- 20- (hydroxyimino)- 17- methoxypregn- 5- en- 3- ylbenzoate
Smiles: O/N=C(/C1(OC)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1ccccc1)\C

STL526520
Synonyms: N'- [(3E)- 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- ({[(1E)- 1- (thiophen- 2- yl)ethylidene]amino}oxy)acetohydra
Smiles: O=C(N/N=C\1/C(=O)N(c2c1cccc2)CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)CO/N=C(/c1cccs1)\C

STL526521
Synonyms: 4- [(2- carboxyethyl)(hydroxy)phosphoryl]isovaline
Smiles: OC(=O)CCP(=O)(CCC(C(=O)O)(N)C)O

STL526522
Synonyms: 2- ({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3cccnc3)/CC[C@]12C

STL526523
Synonyms: 1- (2- hydroxyphenyl)- 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)c2ccccc2O)C)cc2c1OCO2

STL526524
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- methylbutan- 2- ol
Smiles: COc1c2c(CCN(C2CC(C(C)C)O)C)cc2c1OCO2

STL526525
Synonyms: N- [(1S,2S)- 1- hydroxy- 1- phenylpropan- 2- yl]- N,4- dimethylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N([C@H]([C@H](c1ccccc1)O)C)C

STL526526
Synonyms: quinolin- 6- 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)c1ccc2c(c1)cccn2

STL526527
Synonyms: (3alpha,5alpha,8xi,9xi,14xi)- 3- chloroandrostan- 17- one
Smiles: Cl[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C

STL526528
Synonyms: 7- hydroxy- 4- methyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 2H- chromen- 2- one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1oc(=O)cc2C

STL526529
Synonyms: 3- methylbutyl2- {[3- (3- methylphenoxy)- 4- oxo- 4H- chromen- 7- yl]oxy}propanoate
Smiles: CC(CCOC(=O)C(Oc1ccc2c(c1)occ(c2=O)Oc1cccc(c1)C)C)C

STL526530
Synonyms: benzyl{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]propan- 2- yl}carbamate
Smiles: O=C(NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C)OCc1ccccc1

STL526531
Synonyms: 6- (diphenylphosphoryl)norleucine
Smiles: OC(=O)C(CCCCP(=O)(c1ccccc1)c1ccccc1)N

STL526532
Synonyms: N- {(1Z)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}- 4,6- dimethyl- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C

STL526533
Synonyms: 5- (5- bromo- 2- methoxybenzyl)- 1,3- dimethyl- 5- [(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(cc1CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C)Br

STL526534
Synonyms: 4- phosphonoisovaline
Smiles: OC(=O)C(CCP(=O)(O)O)(N)C

STL526535
Synonyms: 2- amino- 7- phosphonooctanedioicacid
Smiles: OC(=O)C(CCCCC(P(=O)(O)O)C(=O)O)N

STL526536
Synonyms: ethyl2- (difluoromethyl)- 6,10- dimethoxy- 4,5- dihydro- 2,5- methanofuro[3,2- h][1,3]benzoxathiepine- 4- carboxylate
Smiles: CCOC(=O)C1SC2(CC1c1c(O2)c(OC)c2c(c1OC)cco2)C(F)F

STL526537
Synonyms: ({1- [(benzyloxy)carbonyl]prolyl}amino)(phenyl)aceticacid
Smiles: O=C(N1CCCC1C(=O)NC(c1ccccc1)C(=O)O)OCc1ccccc1

STL526538
Synonyms: 2- amino- 7- [hydroxy(2- phenylethyl)phosphoryl]heptanoicacid
Smiles: OC(=O)C(CCCCCP(=O)(CCc1ccccc1)O)N

STL526539
Synonyms: 5- (4- hydroxy- 3- iodo- 5- methoxybenzyl)- 1,3- dimethyl- 5- [(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)I)CC1(CN2CC3CC(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526540
Synonyms: methylN- {[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)COc1ccc2c(c1)oc(=O)cc2C

STL526541
Synonyms: N- [2- hydroxy- 2- (6- methylpyridin- 3- yl)ethyl]- 2- ({[(3E,8xi,9xi,14xi)- 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)NCC(c3ccc(nc3)C)O)/CC[C@]12C

STL526542
Synonyms: 4- [({1- [(benzyloxy)carbonyl]prolyl}amino)methyl]benzoicacid
Smiles: O=C(C1CCCN1C(=O)OCc1ccccc1)NCc1ccc(cc1)C(=O)O

STL526543
Synonyms: 6- [hydroxy(2- phenylethyl)phosphoryl]norleucine
Smiles: OC(=O)C(CCCCP(=O)(CCc1ccccc1)O)N

STL526544
Synonyms: methyl1- (4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 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)C=C[C@]12C

STL526545
Synonyms: 2- [2- (2- hydroxyethyl)piperidin- 1- yl]- 1- (5- methoxy- 1H- indol- 3- yl)ethanone
Smiles: OCCC1CCCCN1CC(=O)c1c[nH]c2c1cc(OC)cc2

STL526546
Synonyms: 2- hydroxy- 5,5- dimethyl- 1,5,6,10b- tetrahydropyrrolo[2,1- a]isoquinolin- 3(2H)- one
Smiles: O=C1C(O)CC2N1C(C)(C)Cc1c2cccc1

STL526547
Synonyms: (8xi,9xi,14xi,16alpha,17xi,20E)- 16- hydroxy- 20- (hydroxyimino)- 17- methoxypregn- 5- en- 3- ylacetate
Smiles: O/N=C(/C1(OC)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)\C

STL526548
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- {[2- hydroxy- 2- (6- methylpyridin- 3- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(c1ccc(nc1)C)O

STL526549
Synonyms: (2R)- 2- amino- 7- (diethoxyphosphoryl)heptanoicacid
Smiles: CCOP(=O)(OCC)CCCCC[C@H](C(=O)O)N

STL526550
Synonyms: 4- ({1- [(benzyloxy)carbonyl]prolyl}amino)- 3- phenylbutanoicacid
Smiles: OC(=O)CC(c1ccccc1)CNC(=O)C1CCCN1C(=O)OCc1ccccc1

STL526551
Synonyms: 4- {[(4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl]oxy}- 4- oxobutanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCC1CCC(CC1)C(=O)O

STL526552
Synonyms: ethyl4- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- oxobutanoate
Smiles: CCOC(=O)CC(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526553
Synonyms: methylN- (4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl]oxy}- 4- oxobutanoyl)- 3- nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL526554
Synonyms: 8- [(2- ethylpiperidin- 1- yl)methyl]- 7- hydroxy- 3- phenyl- 4H- chromen- 4- one
Smiles: CCC1CCCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccccc1

STL526555
Synonyms: 8- (1- azabicyclo[2.2.2]oct- 2- en- 3- yl)- 3- benzyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: c1ccc(cc1)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1=CN2CCC1CC2

STL526556
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)propan- 2- ol
Smiles: COc1c2c(CCN(C2CC(O)C)C)cc2c1OCO2

STL526557
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 6- 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)c2ccc3c(c2)OCCO3)C)cc2c1OCO2

STL526558
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- {[2- (4- hydroxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)NCCc1ccc(cc1)O

STL526559
Synonyms: (2alpha,3alpha,5alpha,8xi,9xi,14xi,16alpha,17alpha)- 2,3:16,17- diepoxyandrostan- 17- ylacetate
Smiles: CC(=O)O[C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC[C@@H]1[C@]2(C)C[C@H]2O[C@H]2C1

STL526560
Synonyms: N- (phenylacetyl)- 5- phosphononorvaline
Smiles: O=C(NC(C(=O)O)CCCP(=O)(O)O)Cc1ccccc1

STL526561
Synonyms: benzyl[2- oxo- 2- ({2- oxo- 2- [(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]ethyl}amino)ethyl]carbamate
Smiles: O=C(NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CNC(=O)OCc1ccccc1

STL526562
Synonyms: benzyl{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]- 3- phenylpropan- 2- yl}carbamate
Smiles: O=C(NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1)OCc1ccccc1

STL526563
Synonyms: 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinoline- 5- carboxylicacid
Smiles: COc1c2c(CCN(C2C(=O)O)C)cc2c1OCO2

STL526564
Synonyms: 4- [(4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 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(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL526565
Synonyms: alpha- {2- [(2- carboxyethyl)(hydroxy)phosphoryl]ethyl}phenylalanine
Smiles: OC(=O)CCP(=O)(CCC(C(=O)O)(Cc1ccccc1)N)O

STL526566
Synonyms: N- [(1S,5R)- 2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl]furan- 2- carboxamide
Smiles: CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccco1

STL526567
Synonyms: 4- [(4- {[(8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl]oxy}- 4- oxobutanoyl)amino]- 3- phenylbutanoicacid
Smiles: O=C(OCC(=O)[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)CCC(=O)NCC(c1ccccc1)CC(=O)O

STL526568
Synonyms: 3- (4- chlorophenyl)- 8- [(2- ethylpiperidin- 1- yl)methyl]- 7- hydroxy- 4H- chromen- 4- one
Smiles: CCC1CCCCN1Cc1c(O)ccc2c1occ(c2=O)c1ccc(cc1)Cl

STL526569
Synonyms: (2,6- dimethoxyphenyl)[(3bS,4aR)- 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 1H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazol- 1- yl]methanone
Smiles: COc1cccc(c1C(=O)n1nc(c2c1C[C@@H]1[C@H]2C1(C)C)C)OC

STL526570
Synonyms: furan- 2- 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)c1ccco1

STL526571
Synonyms: N- (2- phenylquinazolin- 4- yl)serine
Smiles: OCC(C(=O)O)Nc1nc(nc2c1cccc2)c1ccccc1

STL526572
Synonyms: N- [(1S,5R)- 2- acetyl- 6,6- dimethylbicyclo[3.1.0]hex- 2- en- 3- yl]quinoline- 6- carboxamide
Smiles: CC(=O)C1=C(C[C@@H]2[C@H]1C2(C)C)NC(=O)c1ccc2c(c1)cccn2

STL526573
Synonyms: N- ethyl- 6- methyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- amine
Smiles: CCNC1CCCc2c1[nH]c1c2cc(cc1)C

STL526574
Synonyms: 3- (6- amino- 8- bromo- 3H- purin- 3- yl)propane- 1,2- diol
Smiles: OCC(Cn1cnc(c2c1nc(n2)Br)N)O

STL526575
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxo- 16- (piperidin- 1- yl)androstan- 3- ylacetate
Smiles: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC(C2=O)N1CCCCC1)C)C

STL526576
Synonyms: 6- ethyl- 8- [(2- ethylpiperidin- 1- yl)methyl]- 7- hydroxy- 4- methyl- 2H- chromen- 2- one
Smiles: CCC1CCCCN1Cc1c(O)c(CC)cc2c1oc(=O)cc2C

STL526577
Synonyms: (1S,5S)- 8- oxo- N- [4- (pentafluorophenoxy)phenyl]- 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)Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F

STL526578
Synonyms: N- {(1Z)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}furan- 2- carboxamide
Smiles: C/C(=C\1/C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccco1

STL526579
Synonyms: (12aS)- 2- [2- (1H- indol- 3- 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(CCc2c[nH]c3c2cccc3)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526580
Synonyms: 5- (4- hydroxy- 3- methoxybenzyl)- 1- (4- methoxyphenyl)- 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: COc1ccc(cc1)N1C(=O)NC(=O)C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc(c(c1)OC)O

STL526581
Synonyms: N- {(1E)- 1- [(1S,5R)- 6,6- dimethyl- 3- oxobicyclo[3.1.0]hex- 2- ylidene]ethyl}pyridine- 2- carboxamide
Smiles: C/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/NC(=O)c1ccccn1

STL526582
Synonyms: 8- methoxy- 4- methyl- 3- [(1- oxo- 1- phenylpropan- 2- yl)oxy]- 6H- benzo[c]chromen- 6- one
Smiles: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OC(C(=O)c1ccccc1)C

STL526583
Synonyms: (8aS)- 2- (4- methylbenzyl)hexahydropyrrolo[1,2- a]pyrazine- 1,4- dione
Smiles: Cc1ccc(cc1)CN1CC(=O)N2[C@H](C1=O)CCC2

STL526584
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- ({[(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)methyl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)C)cc2c1OCO2

STL526585
Synonyms: (12aS)- 2- [3- (dibutylamino)propyl]- 6,6- dimethyl- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCCCN(CCCC)CCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2

STL526586
Synonyms: N- [4- (dimethylamino)benzyl]- N- {3- phenyl- 3- [4- (propan- 2- yloxy)phenyl]propyl}acetamide
Smiles: CC(Oc1ccc(cc1)C(c1ccccc1)CCN(C(=O)C)Cc1ccc(cc1)N(C)C)C

STL526587
Synonyms: (4aS,8aS)- 1,4,6- trimethyl- 5- (3,4,5- trimethoxyphenyl)hexahydropyrimido[4,5- d]pyrimidine- 2,7(1H,3H)- dione
Smiles: COc1cc(cc(c1OC)OC)C1N(C)C(=O)N[C@@H]2[C@H]1C(C)NC(=O)N2C

STL526588
Synonyms: methylN- (4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)- 3- nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526589
Synonyms: N- benzyl- N- {3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propyl}acetamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccccc1

STL526590
Synonyms: 4- {[(4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526591
Synonyms: (1S,5R)- 3- [2- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- 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)c1CN(CCc1[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526592
Synonyms: (12bS)- 2- [3- (diethylamino)propyl]- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCN(CCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)CC

STL526593
Synonyms: ethyl({[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}sulfanyl)acetate
Smiles: CCOC(=O)CSC(=S)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526594
Synonyms: 5- (2,4- dimethoxybenzyl)- 1- (3- methoxyphenyl)- 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: COc1ccc(c(c1)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)NC(=O)N(C1=O)c1cccc(c1)OC

STL526595
Synonyms:
Smiles: CCCCCO[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

STL526596
Synonyms: 2- (4- chlorophenyl)- 5- methyl- 5,6,11,11a- tetrahydro- 1H- imidazo[1',5':1,6]pyrido[3,4- b]indole- 1,3(2H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2N(C1=O)C(C)c1c(C2)c2ccccc2[nH]1

STL526597
Synonyms: (8R,8aR,11aS,11bS)- 8- acetyl- 10- (4- acetylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C

STL526598
Synonyms: 2- amino- 2- {2- [hydroxy(2- phenylethyl)phosphoryl]ethyl}- 3- methylbutanoicacid
Smiles: CC(C(C(=O)O)(CCP(=O)(CCc1ccccc1)O)N)C

STL526599
Synonyms: dimethyl{[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl](phenyl)methyl}phosphonate
Smiles: COP(=O)(C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1)OC

STL526600
Synonyms: (E)- N- (9,10- dimethoxy- 3,3- dimethyl- 1- oxo- 1,2,3,4,6,7,11b,12- octahydro- 13H- isoquino[2,1- a]quinolin- 13- ylidene)glycine
Smiles: COc1cc2c(cc1OC)CCN1C2C/C(=N\CC(=O)O)/C2=C1CC(CC2=O)(C)C

STL526601
Synonyms: (12bS)- 2- (5- hydroxypentyl)- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: OCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526602
Synonyms: (2E,2'Z)- 2,2'- [(1E,2Z)- 3,4,5,6- tetrahydroxyhexane- 1,2- diylidene]dihydrazinecarboxamide(non- preferredname)
Smiles: NC(=O)N/N=C(\C(C(C(CO)O)O)O)/C=N/NC(=O)N

STL526603
Synonyms: ethyl2- {[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}benzoate
Smiles: CCOC(=O)c1ccccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526604
Synonyms: ethylbeta- hydroxy- N- (4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)phenylalaninate
Smiles: CCOC(=O)C(C(c1ccccc1)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL526605
Synonyms: (12aS)- 6,6- dimethyl- 2- (3- methylbutyl)- 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(C2(C)C)[nH]c2c1cccc2)C

STL526606
Synonyms: (4- methoxyphenyl)[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetonitrile
Smiles: COc1ccc(cc1)C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C#N

STL526607
Synonyms: methyl(6S)- 4,4- dimethyl- 4,5,6,7- tetrahydro- 1H- imidazo[4,5- c]pyridine- 6- carboxylate
Smiles: COC(=O)[C@H]1NC(C)(C)c2c(C1)[nH]cn2

STL526608
Synonyms: N'- [(3E)- 1- {[(1S)- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]methyl}- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 4- methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC

STL526609
Synonyms: ethyl3- [(4aR,6aS,6bS,7aR)- 2- (acetyloxy)- 4a,6a- dimethyl- 1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9- tetradecahydro- 6bH- naphtho[2',1':4,5]indeno[1,2- b]oxiren- 6b- yl]- 3- hydroxybutanoate(non- preferredname)
Smiles: CCOC(=O)CC([C@@]12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)(O)C

STL526610
Synonyms: N- (4- {[(8xi,9xi,11beta,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)glycylvaline
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCC(=O)NC(C(=O)O)C(C)C

STL526611
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)- 16- methylfurosta- 5,20(22)- dien- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C)C1)C

STL526612
Synonyms: 3- (2- methoxyphenyl)- N- (4- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: COc1ccc(cc1)NC(=O)CC(c1ccccc1OC)c1ccc(cc1)OC(C)C

STL526613
Synonyms: (12aS)- 6,6- dimethyl- 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]1Cc1c3ccccc3[nH]c1C2(C)C

STL526614
Synonyms: (8xi,9xi,14xi)- 20- oxopregna- 3,16- dien- 3- yl3- (pyrrolidin- 1- yl)propanoate
Smiles: O=C(OC1=CC2[C@@](CC1)(C)C1CC[C@]3(C(C1CC2)CC=C3C(=O)C)C)CCN1CCCC1

STL526615
Synonyms: prop- 2- yn- 1- yl[(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]acetate
Smiles: C#CCOC(=O)CN1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL526616
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)- 16- ethylfurosta- 5,20(22)- dien- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)CC)C)C1)C

STL526617
Synonyms: (3E,8aS)- 3- benzylidenehexahydropyrrolo[1,2- a]pyrazine- 1,4- dione
Smiles: O=C1N/C(=C/c2ccccc2)/C(=O)N2[C@H]1CCC2

STL526618
Synonyms: 1- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 3- (3- methoxyphenyl)urea
Smiles: COc1c2c(CCN(C2NC(=O)Nc2cccc(c2)OC)C)cc2c1OCO2

STL526619
Synonyms: (12aS)- 6,6- dimethyl- 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(C2(C)C)[nH]c2c1cccc2

STL526620
Synonyms: N~2~- {2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]propanoyl}- L- arginine
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C

STL526621
Synonyms: (12aS)- 6,6- dimethyl- 2- (pyridin- 3- ylmethyl)- 2,3,6,7,12,12a- hexahydropyrazino[1',2':1,6]pyrido[3,4- b]indole- 1,4- dione
Smiles: O=C1N(Cc2cccnc2)CC(=O)N2[C@H]1Cc1c3ccccc3[nH]c1C2(C)C

STL526622
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- (pyridin- 4- 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)c1ccncc1

STL526623
Synonyms: (12bS)- 2- butyl- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: CCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526624
Synonyms: (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)(phenyl)acetonitrile
Smiles: N#CC(C1N(C)CCc2c1c(OC)c1c(c2)OCO1)c1ccccc1

STL526625
Synonyms: (3Z)- 4- hydroxy- 5- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)pent- 3- en- 2- one
Smiles: COc1c2c(CCN(C2C/C(=C/C(=O)C)/O)C)cc2c1OCO2

STL526626
Synonyms:
Smiles: CC(C1C2CCC3C1CC(C2)C3)NCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C

STL526627
Synonyms: (8xi,14xi)- 9- hydroxy- 3- oxoandrosta- 5,16- diene- 17- carbonitrile
Smiles: N#CC1=CCC2[C@]1(C)CC[C@]1(C2CC=C2[C@]1(C)CCC(=O)C2)O

STL526628
Synonyms: tert- butyl[(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]carbamate
Smiles: O=C(OC(C)(C)C)NN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[nH]c2c1cccc2

STL526629
Synonyms: (12bS)- 2- [2- (4- methoxyphenyl)ethyl]- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: COc1ccc(cc1)CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526630
Synonyms: 6- hydroxy- 5- [(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)acetyl]- 1- (2- methoxyphenyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: COc1c2c(CCN(C2CC(=O)c2c(=O)[nH]c(=O)n(c2O)c2ccccc2OC)C)cc2c1OCO2

STL526631
Synonyms: methyl2- acetyl- 1- (3,4- dimethoxyphenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccc(c(c1)OC)OC)[nH]c1c2cccc1

STL526632
Synonyms: 5- chloro- 2- {[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: O=Cc1cc(Cl)ccc1OCC#CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

STL526633
Synonyms: N- (4- {[(8xi,9xi,11beta,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 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)CC[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O

STL526634
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- phenylethanol
Smiles: COc1c2c(CCN(C2CC(c2ccccc2)O)C)cc2c1OCO2

STL526635
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxoandrostan- 3- ylhexanoate
Smiles: CCCCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C

STL526636
Synonyms: ethyl5- fluoro- 3- ({[(1S)- 6- hydroxy- 7- methoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c([C@@H]1C)cc(c(c3)O)OC)cc(cc2)F

STL526637
Synonyms: 4- tert- butyl- N- {[(5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}benzamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc(cc1)C(C)(C)C

STL526638
Synonyms: 4- oxo- 4- {[(5alpha,8xi,9xi,14xi)- 20- oxopregn- 16- en- 3- yl]oxy}butanoicacid
Smiles: O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=O)C)C)C)CCC(=O)O

STL526639
Synonyms: (5alpha,8xi,9xi,14xi)- 17- oxoandrostan- 3- ylbutanoate
Smiles: CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2=O)C)C

STL526640
Synonyms: methyl2- acetyl- 1- (2- bromophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylate
Smiles: COC(=O)C1Cc2c(C(N1C(=O)C)c1ccccc1Br)[nH]c1c2cccc1

STL526641
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)ethanol
Smiles: COc1ccc(c(c1)C(CC1N(C)CCc2c1c(OC)c1c(c2)OCO1)O)OC

STL526642
Synonyms: 2- [4- (2,3,4,9- tetrahydro- 1H- beta- carbolin- 1- yl)phenoxy]acetamide
Smiles: NC(=O)COc1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1

STL526643
Synonyms: (1S,5R)- 3- [2- (5- methoxy- 1H- indol- 3- yl)- 2- oxoethyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526644
Synonyms: 5- [4- (benzyloxy)benzyl]- 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: COc1cc2c(cc1OC)CCN([C@H]2C)CC1(Cc2ccc(cc2)OCc2ccccc2)C(=O)N(C)C(=O)N(C1=O)C

STL526645
Synonyms: 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 3- ethylurea
Smiles: CCNC(=O)NC1OC(=O)c2c1ccc(c2OC)OC

STL526646
Synonyms: 4- acetyl- 3- hydroxy- 5- phenylfuran- 2(5H)- one
Smiles: CC(=O)C1=C(O)C(=O)OC1c1ccccc1

STL526647
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C

STL526648
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)CC1[C@](C2)(C)CCCC1=C

STL526649
Synonyms: (2- hydroxyphenyl)[2- (pyridin- 3- yl)piperidin- 1- yl]acetonitrile
Smiles: N#CC(c1ccccc1O)N1CCCCC1c1cccnc1

STL526650
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(4- pentylphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCCCc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STL526651
Synonyms: (12bS)- 2- (2- methoxybenzyl)- 12b- methyl- 2,3,6,7,12,12b- hexahydropyrazino[1',2':1,2]pyrido[3,4- b]indole- 1,4- dione
Smiles: COc1ccccc1CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3

STL526652
Synonyms: 6- [3- acetyl- 2- (3,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]hexanoicacid
Smiles: COc1cc(ccc1OC)C1N(CCCCCC(=O)O)C(=O)C(=C1C(=O)C)O

STL526653
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]- 3,4- dimethoxybenzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)N/N=C\1/c2cc(Br)ccc2N(C1=O)CN1CCc2c([C@@H]1C)cc(c(c2)OC)OC

STL526654
Synonyms: (1'R,3R,3'R)- 1'- acetyl- 3'- [(4- propylphenyl)carbonyl]- 3',3a'- dihydrospiro[indole- 3,2'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@H]1C2C=Cc3c(N2[C@H]([C@]21C(=O)Nc1c2cccc1)C(=O)C)cccc3

STL526655
Synonyms: N- [2- (3,4- dihydroxyphenyl)ethyl]- 2- ({[(3Z,8xi,9xi,14xi)- 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)NCCc3ccc(c(c3)O)O)/CC[C@]12C

STL526656
Synonyms: 1- {[(1R,5S)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}naphthalen- 2- ol
Smiles: Oc1ccc2c(c1CN1C[C@]3(C[C@H]1CC(C3)(C)C)C)cccc2

STL526657
Synonyms: 1- {3- [(4- chlorophenoxy)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carboline
Smiles: COc1ccc(cc1COc1ccc(cc1)Cl)C1NCCc2c1[nH]c1c2cccc1

STL526658
Synonyms: methyl(8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetate
Smiles: COC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STL526659
Synonyms: (12aS)- 2- cyclopentyl- 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)C1CCCC1

STL526660
Synonyms: (8xi,9xi,14xi)- 17- oxoandrost- 5- en- 3- yl3- (pyrrolidin- 1- yl)propanoate
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2=O)C)C1)C)CCN1CCCC1

STL526661
Synonyms: 2- (4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)- 1- (5,6,7,8- tetrahydronaphthalen- 2- yl)ethanone
Smiles: COc1c2c(CCN(C2CC(=O)c2ccc3c(c2)CCCC3)C)cc2c1OCO2

STL526662
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCOCC1)C[C@@H]1[C@](C2)(C)CCCC1=C

STL526663
Synonyms: 4- {[(4- {[(8xi,9xi,14xi)- 11,17- dihydroxy- 3,20- dioxopregn- 4- en- 21- yl]oxy}- 4- oxobutanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

STL526664
Synonyms: (1R,5S)- 8- oxo- N- (prop- 2- en- 1- yl)- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: C=CCNC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL526665
Synonyms: (12aS)- 6,6- dimethyl- 2- [3- (morpholin- 4- yl)propyl]- 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]1Cc1c3ccccc3[nH]c1C2(C)C

STL526666
Synonyms: 1,2,3,9,10- pentamethoxy- 5H- isoindolo[2,1- a][3,1]benzoxazine- 5,11(6aH)- dione
Smiles: COc1cc2C(=O)OC3N(c2c(c1OC)OC)C(=O)c1c3ccc(c1OC)OC

STL526667
Synonyms:
Smiles: OC[C@H]1O[C@@H](OCC([C@H]2O[C@H]3[C@@H]([C@H]2OCCC(C)C)OC(O3)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

STL526668
Synonyms: (12aS)- 2- cyclohexyl- 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)C1CCCCC1

STL526669
Synonyms: (8xi,9xi,14xi,16xi,17xi)- 26- (acetylamino)- 16- ethylfurosta- 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)CC)C)C1)C

STL526670
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- {[2- (1H- indol- 3- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1c[nH]c2c1cccc2

STL526671
Synonyms: N- [2- (3,4- dihydroxyphenyl)ethyl]- 2- ({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)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)NCCc1ccc(c(c1)O)O

STL526672
Synonyms: 3- [3- acetyl- 2- (2,4- dimethoxyphenyl)- 4- hydroxy- 5- oxo- 2,5- dihydro- 1H- pyrrol- 1- yl]benzoicacid
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1cccc(c1)C(=O)O)O)C(=O)C