COMPOUNDS FOR BIOLOGICAL SCREENING
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STL552673
Synonyms: [3- (2,2- dichloroethenyl)- 2,2- dimethylcyclopropyl][(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methanone
Smiles: ClC(=CC1C(C1(C)C)C(=O)N1CC2(CC1CC(C2)(C)C)C)Cl

STL552674
Synonyms: dibenzylN~2~- [(benzyloxy)carbonyl]- N~5~- (N'- nitrocarbamimidoyl)- D- ornithylglycyl- D- aspartate
Smiles: [O-][N+](=O)/N=C(\NCCC[C@H](C(=O)NCC(=O)N[C@@H](C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)/N

STL552675
Synonyms: 1- S- [(1Z)- N- (sulfonatooxy)but- 3- enimidoyl]- 1- thio- beta- D- glucopyranose
Smiles: C=CC/C(=N/OS(=O)(=O)[O-])/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

STL552676
Synonyms: (3aS)- 2,2- dimethyl- 1- (prop- 2- en- 1- yl)- 2,3,3a,4- tetrahydro- 1H- benzo[f]isoindolium
Smiles: C=CCC1C2=Cc3ccccc3C[C@@H]2C[N+]1(C)C

STL552677
Synonyms: N~2~- [(1- {[(4- methylphenyl)sulfonyl]amino}cyclohexyl)carbonyl]- D- arginine
Smiles: NC(=N)NCCC[C@H](C(=O)O)NC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)C

STL552678
Synonyms: 8- methyl- 4- (1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)- 5H- pyrimido[5,4- b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CC2(CC1CC(C2)(C)C)C

STL552679
Synonyms: 4- methyl- 3- [(phenylcarbonyl)oxy]- 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 4- ium
Smiles: O=C(c1ccccc1)OC1CCN2C1=[N+](C)c1c(C2)cccc1

STL552680
Synonyms: 1- (2- oxo- 2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)- 1- (2- oxo- 2- {[(4S)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)piperidinium
Smiles: O=C(C[N+]1(CCCCC1)CC(=O)OC1CC2C(C1(C)CC2)(C)C)OC1CC2C(C1(C)CC2)(C)C

STL552681
Synonyms: (1S,2S,12bS)- 1,2- bis(acetyloxy)- 6- methyl- 2,3,3a,4,5,7,12b,12c- octahydro- 1H- [1,3]dioxolo[4,5- j]pyrrolo[3,2,1- de]phenanthridin- 6- ium
Smiles: CC(=O)O[C@@H]1[C@@H](OC(=O)C)CC2C3[C@@H]1c1cc4OCOc4cc1C[N+]3(C)CC2

STL552682
Synonyms: 2,2,8- trimethyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: Cc1ccc2c(c1)c1C[N+](C)(C)CCc1[nH]2

STL552683
Synonyms: 3- [3- (4- methylpiperazin- 1- yl)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CN1CCN(CC1)CCCn1cnc2c(c1=O)[nH]c1c2cccc1

STL552684
Synonyms: 2- hydroxy- 11- methoxy- N,N,N- trimethyl- 11- oxoundecan- 1- aminium
Smiles: COC(=O)CCCCCCCCC(C[N+](C)(C)C)O

STL552685
Synonyms: N- [(6,6- dimethylbicyclo[3.1.1]hept- 2- en- 2- yl)methyl]- N,N- dimethylnonan- 1- aminium
Smiles: CCCCCCCCC[N+](CC1=CCC2CC1C2(C)C)(C)C

STL552686
Synonyms: (4E)- 2- ethyl- N,N,N- trimethyl- 3- oxo- 5- phenylpent- 4- en- 1- aminium
Smiles: CCC(C(=O)/C=C/c1ccccc1)C[N+](C)(C)C

STL552687
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CC3(CC1CC(C3)(C)C)C)CC1[C@](C2)(C)CCCC21OC2

STL552688
Synonyms: (6R,7R)- 7- {[(formyloxy)(phenyl)acetyl]amino}- 3- {[(1- methyl- 1H- tetrazol- 5- yl)sulfanyl]methyl}- 8- oxo- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2- carboxylate
Smiles: O=COC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1

STL552689
Synonyms: 2- ({[(3Z,8xi,9xi,14xi,17alpha)- 17- hydroxyandrost- 4- en- 3- ylidene]amino}oxy)- N- [(3R)- 2- oxoazepan- 3- yl]acetamide
Smiles: O=C(NC1CCCCNC1=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@H]2O)C)C

STL552690
Synonyms: 2- methoxyethyl(4S)- 2- amino- 5'- bromo- 2',5- dioxo- 1',2',5,6- tetrahydrospiro[benzo[h]chromene- 4,3'- indole]- 3- carboxylate
Smiles: COCCOC(=O)C1=C(N)OC2=C([C@@]31C(=O)Nc1c3cc(Br)cc1)C(=O)Cc1c2cccc1

STL552691
Synonyms: (6R,7R)- 7- {[(2E)- 2- (2- amino- 1,3- thiazol- 4- yl)- 2- (methoxyimino)acetyl]amino}- 3- {[(2- methyl- 5,6- dioxo- 5,6- dihydro- 2H- 1,2,4- triazin- 1- id- 3- yl)sulfanyl]methyl}- 8- oxo- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2-
Smiles: CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nc(=O)c(=O)[n-]n1C

STL552692
Synonyms: N,N- diethyl- 2- oxo- N- (2- oxo- 2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)- 2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethanaminium
Smiles: CC[N+](CC(=O)OC1CC2C(C1(C)CC2)(C)C)(CC(=O)OC1CC2C(C1(C)CC2)(C)C)CC

STL552693
Synonyms: 3- {[(4- hydroxyphenyl)carbonyl]amino}propanoate
Smiles: O=C(c1ccc(cc1)O)NCCC(=O)[O-]

STL552694
Synonyms: 6,7- dimethoxy- 2- methyl- 2,2',3,3',5',6'- hexahydro- 1H- spiro[isoquinoline- 4,4'- pyran]
Smiles: COc1cc2c(cc1OC)CN(CC12CCOCC1)C

STL552695
Synonyms: 2- ({(E)- [3- hydroxy- 5- (hydroxymethyl)- 2- methylpyridin- 4- yl]methylidene}amino)ethylsulfate
Smiles: OCc1cnc(c(c1/C=N/CCOS(=O)(=O)[O-])O)C

STL552696
Synonyms: 1- (8- hydroxybicyclo[3.2.1]oct- 2- yl)piperidinium
Smiles: OC1C2CCC(C1CC2)[NH+]1CCCCC1

STL552697
Synonyms: (1S)- 3- {2- methoxy- 5- [(1E)- 3- oxo- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- 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)C12CC3CC(C2)CC(C1)C3

STL552698
Synonyms: 9- [5- O- (hydroxyphosphinato)pentofuranosyl]- 9H- purin- 6- amine
Smiles: OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)[O-]

STL552699
Synonyms: (1alpha,5xi,9xi,10xi,14alpha)- 20- ethyl- 16- methoxy- 4- methylaconitane- 1,8,14- triyltriacetate
Smiles: CO[C@H]1C[C@]2(OC(=O)C)[C@@H]3CC4[C@@]5(C6C[C@H]1[C@@H](C26)OC(=O)C)C3N(CC)C[C@]4(C)CC[C@@H]5OC(=O)C

STL552700
Synonyms: 1''- benzyldispiro[cyclohexane- 1,2'- pyrrolidine- 3',3''- indol]- 2''(1''H)- one
Smiles: O=C1N(Cc2ccccc2)c2c(C31CCNC13CCCCC1)cccc2

STL552701
Synonyms: (2E)- 3- (2- methoxyphenyl)- 1- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]prop- 2- en- 1- one
Smiles: COc1ccccc1/C=C/C(=O)N1CC2(CC1CC(C2)(C)C)C

STL552702
Synonyms: 4- methyl- 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 4- ium
Smiles: C[N+]1=C2CCCN2Cc2c1cccc2

STL552703
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- ylphosphate
Smiles: O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2OP(=O)([O-])[O-])C)C

STL552704
Synonyms: 2- [2- (4- bromophenyl)- 2- oxoethyl]- 2- methyl- 5- [2- (6- methylpyridin- 3- yl)ethyl]- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: Brc1ccc(cc1)C(=O)C[N+]1(C)CCc2c(C1)c1ccccc1n2CCc1ccc(nc1)C

STL552705
Synonyms: (2Z,4E)- 4- (furan- 2- ylmethylidene)- 2- methylpent- 2- enedioate
Smiles: [O-]C(=O)/C(=C/c1ccco1)/C=C(\C(=O)[O-])/C

STL552706
Synonyms: 5- (butoxymethyl)- 3- [4- (piperidin- 1- yl)but- 2- yn- 1- yl]dihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCCCOCC1CC(C(=O)O1)CC#CCN1CCCCC1

STL552707
Synonyms: (5S)- 6,6,7- trimethyl- 2- azabicyclo[3.2.1]octan- 3- one
Smiles: O=C1NC2CC(C1)C(C2C)(C)C

STL552708
Synonyms: 1''- methyldispiro[cyclopentane- 1,2'- pyrrolidine- 3',3''- indol]- 2''(1''H)- one
Smiles: O=C1N(C)c2c(C31CCNC13CCCC1)cccc2

STL552709
Synonyms: 10,11,12,13- tetrahydro- 5H- spiro[azepino[2,1- b]benzo[h]quinazoline- 6,1'- cyclohexan]- 7(9H)- one
Smiles: O=c1n2CCCCCc2nc2c1C1(CCCCC1)Cc1c2cccc1

STL552710
Synonyms: 1- methyl- 1- {[(1R,5R)- 8- methyl- 3- oxabicyclo[3.3.1]non- 7- en- 2- yl]methyl}piperidinium
Smiles: CC1=CC[C@H]2C[C@@H]1C(OC2)C[N+]1(C)CCCCC1

STL552711
Synonyms: (6R,8R)- 2,4,10- trioxatricyclo[3.3.1.1~3,7~]decane- 6,8,9- triol
Smiles: OC1C2OC3OC1[C@H](C([C@H]2O)O3)O

STL552712
Synonyms: (8xi,14xi,16alpha)- 9- fluoro- 11,17- dihydroxy- 16- methyl- 3,20- dioxopregna- 1,4- dien- 21- ylphosphate
Smiles: O=C1C=C[C@]2(C(=C1)CCC1[C@]2(F)C(O)C[C@]2(C1C[C@H]([C@]2(O)C(=O)COP(=O)([O-])[O-])C)C)C

STL552713
Synonyms: N- [1- (2,3- dihydro- 1,4- benzodioxin- 2- yl)ethyl]- 1- phenylcyclopentanecarboxamide
Smiles: CC(C1COc2c(O1)cccc2)NC(=O)C1(CCCC1)c1ccccc1

STL552714
Synonyms: (8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl4- oxo- 4- {[(3R)- 2- oxoazepan- 3- yl]amino}butanoate
Smiles: O=C(NC1CCCCNC1=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

STL552715
Synonyms: 1- methyl- 2- (3- oxobutyl)pyridinium
Smiles: CC(=O)CCc1cccc[n+]1C

STL552716
Synonyms: 8- methoxy- 3- [2- (piperidin- 1- yl)ethyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)CCN1CCCCC1

STL552717
Synonyms: 6',7'- dimethoxy- 1'- (prop- 2- en- 1- yl)- 1',4'- dihydro- 2'H- spiro[cyclopentane- 1,3'- isoquinoline]
Smiles: C=CCC1NC2(CCCC2)Cc2c1cc(OC)c(c2)OC

STL552718
Synonyms: (1S,9aS)- 1- (ethoxycarbonyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: CCOC(=O)[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552719
Synonyms: (5S)- 4- acetyl- 11- cyclohexyl- 3,4,5,6,7,8- hexahydro- 1,5- methano- 1,4- benzodiazacycloundecine- 9,14(2H)- dione
Smiles: O=C1[C@H]2CCCC(=O)c3c(N1CCN2C(=O)C)ccc(c3)C1CCCCC1

STL552720
Synonyms: methyl1- azabicyclo[2.2.2]oct- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=CN2CC[C@H]1CC2

STL552721
Synonyms: {[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 6- ethyl- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: CCc1cc2c(cc1OCC(=O)[O-])oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STL552722
Synonyms:
Smiles: CCCCCNC(=O)OCC12COC(C([C@@H]2C)C(=CC1C)C)c1ccc2c(c1)OCO2

STL552723
Synonyms: 2- chloro- 6- methyl- 1,4a,5,7,8,13,13b,13c- octahydro- 4H- benzo[1,2]indolizino[8,7- b]indol- 6- ium
Smiles: ClC1=CCC2C(C1)C1c3[nH]c4c(c3CC[N+]1(C2)C)cccc4

STL552724
Synonyms: 4- [(1R,3S,4S,6S)- 4,7,7- trimethyl- 4- (methylsulfanyl)bicyclo[4.1.0]hept- 3- yl]morpholine
Smiles: CS[C@@]1(C)C[C@H]2[C@@H](C[C@@H]1N1CCOCC1)C2(C)C

STL552725
Synonyms: 1'- phenyl- 3'H- spiro[cyclopentane- 1,4'- isoquinoline]
Smiles: c1ccc(cc1)C1=NCC2(c3c1cccc3)CCCC2

STL552726
Synonyms: 6',7'- dimethoxy- 1'- methyl- 2',3'- dihydro- 1'H- spiro[cyclopentane- 1,4'- isoquinoline]
Smiles: COc1cc2c(cc1OC)C(C)NCC12CCCC1

STL552727
Synonyms: [2,7,12,17- tetraethyl- 3,8,13,18- tetramethylporphyrinato(2- )- kappa~2~N~21~,N~23~]cobalt(1+)
Smiles: CCC1=C(C)C2=Cc3n4[Co+]n5c(=CC1=N2)c(C)c(c5=CC1=NC(=Cc4c(c3CC)C)C(=C1C)CC)CC

STL552728
Synonyms: N- ({[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}acetyl)- L- phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)COc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

STL552729
Synonyms: 1'- (propan- 2- yl)- 2,3,4,9- tetrahydrospiro[beta- carboline- 1,4'- piperidine]- 3- carboxylicacid
Smiles: OC(=O)C1Cc2c3ccccc3[nH]c2C2(N1)CCN(CC2)C(C)C

STL552730
Synonyms: 2- {[(3alpha,5beta,12alpha)- 3,12- dihydroxy- 24- oxocholan- 24- yl]amino}ethanesulfonate
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)[O-])C)C)C

STL552731
Synonyms: 1'- (prop- 2- en- 1- yl)- 1',4'- dihydro- 2'H- spiro[cyclohexane- 1,3'- isoquinoline]
Smiles: C=CCC1NC2(CCCCC2)Cc2c1cccc2

STL552732
Synonyms: 6',7'- dimethoxy- 4'H- spiro[cyclopentane- 1,3'- isoquinoline]
Smiles: COc1cc2CC3(CCCC3)N=Cc2cc1OC

STL552733
Synonyms: N,N,N- trimethyl- 2- [(2E)- 3- phenylprop- 2- enoyl]heptan- 1- aminium
Smiles: CCCCCC(C(=O)/C=C/c1ccccc1)C[N+](C)(C)C

STL552734
Synonyms: (2E)- 3- (4- methoxyphenyl)- 1- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]prop- 2- en- 1- one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1CC2(CC1CC(C2)(C)C)C

STL552735
Synonyms: (1S)- N- cyclohexyl- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carboxamide
Smiles: O=C(N1CC2C[C@H](C1)c1n(C2)c(=O)ccc1)NC1CCCCC1

STL552736
Synonyms: 8- (7- methoxy- 4- oxo- 4H- chromen- 2- yl)- 4H- 1,3- benzodioxine- 6- carboxylate
Smiles: COc1ccc2c(c1)oc(cc2=O)c1cc(cc2c1OCOC2)C(=O)[O-]

STL552737
Synonyms: 4- [(1R)- 1- hydroxy- 3- oxobutyl]pyridinium
Smiles: O[C@@H](c1cc[nH+]cc1)CC(=O)C

STL552738
Synonyms: [(2S)- 2- hydroxy- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]acetate
Smiles: [O-]C(=O)C[C@@]1(O)CC2C(C1(C)CC2)(C)C

STL552739
Synonyms: (19Z)- 12- hydroxy- 4- methyl- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: O=CC1=C2Nc3c([C@@]42C2CC1/C(=C/C)/C[N+]2(CC4)C)cccc3O

STL552740
Synonyms: {[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCCO2

STL552741
Synonyms: 3- hydroxy- 2- [(pyridin- 3- ylcarbonyl)amino]butanoate
Smiles: CC(C(C(=O)[O-])NC(=O)c1cccnc1)O

STL552742
Synonyms: N,N- dimethyl- 2- oxo- 2- {[(4S)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}- N- (2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)ethanaminium
Smiles: O=C(C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C)OC1CC2C(C1(C)CC2)(C)C

STL552743
Synonyms: 10- chloro- 2,4- dimethyl- 11bH- benzo[d]cyclohepta[1,2- b:3,4- b']difuran- 11b- ylium
Smiles: Clc1ccc2c(c1)[C+]1C(=CC=C(c3c1oc(c3)C)C)O2

STL552744
Synonyms: 6',7'- dimethoxy- 1'- (prop- 2- en- 1- yl)- 1',4'- dihydro- 2'H- spiro[cyclohexane- 1,3'- isoquinoline]
Smiles: COc1cc2CC3(CCCCC3)NC(c2cc1OC)CC=C

STL552745
Synonyms: N,N- dimethyl- 2- oxo- N- (2- oxo- 2- {[(4S)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)- 2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethanaminium
Smiles: O=C(C[N+](CC(=O)OC1CC2C(C1(C)CC2)(C)C)(C)C)OC1CC2C(C1(C)CC2)(C)C

STL552746
Synonyms: (5's,7's)- 5',7'- dimethyl- 1',3'- diazaspiro[cyclohexane- 1,2'- tricyclo[3.3.1.1~3,7~]decane]
Smiles: C[C@]12CN3C[C@@](C2)(CN(C1)C13CCCCC1)C

STL552747
Synonyms: 8'- bromo- 6',7'- dimethoxy- 1'H- spiro[cyclopentane- 1,4'- isochromen]- 3'- one
Smiles: COc1cc2c(c(c1OC)Br)COC(=O)C12CCCC1

STL552748
Synonyms: N- [(6,6- dimethylbicyclo[3.1.1]hept- 2- en- 2- yl)methyl]- N,N- dimethylheptan- 1- aminium
Smiles: CCCCCCC[N+](CC1=CCC2CC1C2(C)C)(C)C

STL552749
Synonyms: (1S,9aS)- 1- [(2- cyanoethoxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: N#CCCOC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552750
Synonyms:
Smiles: CCC1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2(C3N(C)c3c2cccc3)C1)CC

STL552751
Synonyms: {[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STL552752
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (2- oxopropyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C)[N+](CC2)(C)C

STL552753
Synonyms: (5's,7's)- 5',7'- dimethyl- 1',3'- diazaspiro[cyclohexane- 1,2'- tricyclo[3.3.1.1~3,7~]decan]- 6'- ol
Smiles: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCCC1

STL552754
Synonyms: (5's,7's)- 5',7'- dimethyl- 1',3'- diazaspiro[cyclopentane- 1,2'- tricyclo[3.3.1.1~3,7~]decan]- 6'- ol
Smiles: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCC1

STL552755
Synonyms: {[3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCO2)C

STL552756
Synonyms: N- [(7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 8- yl)methyl]- beta- alanine
Smiles: OC(=O)CCNCc1c(O)ccc2c1oc(=O)cc2C

STL552757
Synonyms: (11bR)- 3,11b- dimethyl- 3,4,6,7,11b,12- hexahydro- 1H- isoquino[2,1- a]quinoline- 1,13(2H)- dione
Smiles: CC1CC(=O)C2=C(C1)N1CCc3c([C@]1([CH]C2=O)C)cccc3

STL552758
Synonyms: (6R,7R)- 3- [(acetyloxy)methyl]- 7- {[(5R)- 5- amino- 5- carboxylatopentanoyl]amino}- 8- oxo- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2- carboxylate
Smiles: O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])COC(=O)C)CCCC(C(=O)[O-])N

STL552759
Synonyms: {(1R,9R)- 6,8,9- trimethyl- 4- [(1E)- prop- 1- en- 1- yl]- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl}methylcyclohexylcarbamate
Smiles: C/C=C/C1OC[C@@]2([C@H](C1C(=CC2C)C)C)COC(=O)NC1CCCCC1

STL552760
Synonyms: (1r,5R,7S)- 1,5,7- trimethyl- 3- aza- 1- azoniatricyclo[3.3.1.1~3,7~]decane
Smiles: C[C@]12CN3C[C@@](C1)(C)C[N@+](C2)(C3)C

STL552761
Synonyms: 4,4'- decane- 1,10- diylbis[2- ({[2,3- dihydroxy- 2- (propan- 2- yl)butanoyl]oxy}methyl)hexahydro- 1H- pyrrolizinium]
Smiles: CC(C(C(=O)OCC1CC2[N+](C1)(CCCCCCCCCC[N+]13CC[CH]C3CC(C1)COC(=O)C(C(O)C)(C(C)C)O)CC[CH]2)(C(O)C)O)C

STL552762
Synonyms: 5- (1H- indol- 1- yl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(n1ccc3c1cccc3)[N+](CC2)(C)C

STL552763
Synonyms: 3,4- dimethoxy- 6- methyl- 14- oxo- 5,6,7,8,14,15- hexahydrobenzo[c][1,3]benzodioxolo[5,6- g]azecin- 6- ium
Smiles: COc1c(OC)ccc2c1C[NH+](C)CCc1c(C(=O)C2)cc2c(c1)OCO2

STL552764
Synonyms: [(2R,2'R,5'R,6'S,8a'S)- 6'- hydroxy- 4,5'- bis(hydroxymethyl)- 2',5',8a'- trimethyldecahydro- 2'H,3H- spiro[furan- 2,1'- naphthalen]- 4- yl]acetate
Smiles: OCC1(CO[C@]2(C1)[C@H](C)CCC1[C@]2(C)CC[C@@H]([C@@]1(C)CO)O)CC(=O)[O-]

STL552765
Synonyms: (3aS)- 8- cyclohexyl- 6- oxo- 1,2,3a,4,5,6- hexahydro- 3H- 3,10b- diazaacephenanthrylene- 3- carbaldehyde
Smiles: O=CN1CCn2c3[C@@H]1CCc3c(=O)c1c2ccc(c1)C1CCCCC1

STL552766
Synonyms: (1R,5S,1'R,5'S)- 3,3'- [(1- phenyl- 1,2,3,4- tetrahydronaphthalene- 1,4- diyl)bis(carbonyloxy)]bis(8- ethyl- 8- methyl- 8- azoniabicyclo[3.2.1]octane)
Smiles: CC[N+]1(C)[C@@H]2CC[C@H]1CC(C2)OC(=O)C1CCC(c2c1cccc2)(C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)CC)c1ccccc1

STL552767
Synonyms: (10bR)- 5,10b- dimethyl- 3- propyl- 1,2,3,4,6,7,8,9,10,10b- decahydrocyclopenta[a]quinolizinium
Smiles: CCCC1CC[C@]2([N+](C1)(C)CCC1=C2CCC1)C

STL552768
Synonyms: N,N- dimethyl- N- (2- {[(1- methyl- 9H- beta- carbolin- 3- yl)carbonyl]amino}ethyl)nonan- 1- aminium
Smiles: CCCCCCCCC[N+](CCNC(=O)c1nc(C)c2c(c1)c1ccccc1[nH]2)(C)C

STL552769
Synonyms: (17E)- 4- methyl- 17- (2- phenylhydrazinylidene)- 2,16- didehydrocur- 19- en- 4- ium
Smiles: C/C=C\1/C[N+]2(C)CCC34[C@@H]2C[C@@H]1C(=C3Nc1c4cccc1)/C=N/Nc1ccccc1

STL552770
Synonyms: (9R)- 6'- methoxy- 9- [(4- methylquinolin- 2- yl)oxy]- 10,11- dihydrocinchonan
Smiles: CC[C@H]1CN2CCC1CC2[C@@H](c1ccnc2c1cc(OC)cc2)Oc1cc(C)c2c(n1)cccc2

STL552771
Synonyms: [(1R,9R)- 4- (furan- 2- yl)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methylcyclohexylcarbamate
Smiles: O=C(NC1CCCCC1)OC[C@]12COC(C([C@@H]2C)C(=CC1C)C)c1ccco1

STL552772
Synonyms: 5,7- dimethyl- 3- (morpholin- 4- yl)pyrimido[4,5- e][1,2,4]triazine- 6,8(5H,7H)- dione
Smiles: O=c1n(C)c2nc(nnc2c(=O)n1C)N1CCOCC1

STL552773
Synonyms: 8- [(1E)- 3- (2- hydroxy- 4- methoxyphenyl)- 3- oxoprop- 1- en- 1- yl]- 4H- 1,3- benzodioxine- 6- carboxylate
Smiles: COc1ccc(c(c1)O)C(=O)/C=C/c1cc(cc2c1OCOC2)C(=O)[O-]

STL552774
Synonyms: (19Z)- 4- ethyl- 12- hydroxy- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: O=CC1=C2Nc3c([C@@]42C2CC1/C(=C/C)/C[N+]2(CC4)CC)cccc3O

STL552775
Synonyms: (5alpha,8xi,17xi,20xi)- cholest- 2- en- 3- ylacetate
Smiles: CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2CC[C@@H]2[C@]1(C)CC=C(C2)OC(=O)C)C)C

STL552776
Synonyms: 5- (7- hydroxy- 4- oxo- 4H- chromen- 3- yl)- 1- benzofuran- 2- carboxylate
Smiles: Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)cc(o2)C(=O)[O-]

STL552777
Synonyms: (3S)- 1- benzyl- 1'- hexadecanoyl- 2',2'- dimethylspiro[indole- 3,3'- pyrrolidin]- 2(1H)- one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CC[C@]2(C1(C)C)C(=O)N(c1c2cccc1)Cc1ccccc1

STL552778
Synonyms: (2E)- 3- (6,6- dimethylbicyclo[3.1.1]hept- 2- en- 2- yl)- N,N,N- trimethylprop- 2- en- 1- aminium
Smiles: C[N+](C/C=C/C1=CCC2CC1C2(C)C)(C)C

STL552779
Synonyms: 2- [(7aR)- 7a- methoxyhexahydro- 2H- 4,7- ethano[1,2]oxazolo[4,5- b]pyridin- 3- yl]phenol
Smiles: CO[C@@]12ONC(C2N2CC[C@@H]1CC2)c1ccccc1O

STL552780
Synonyms: (2Z)- 4- ethyl- 2- [(4- ethyl- 3,5- dimethyl- 1H- pyrrol- 2- yl)methylidene]- 3,5- dimethyl- 2H- pyrrolium
Smiles: CCC1=C(C)/C(=C/c2[nH]c(c(c2C)CC)C)/[NH+]=C1C

STL552781
Synonyms: (3beta,5beta,8xi,9xi)- 5,14- dihydroxy- 19- oxo- 3- {[(trimethylammonio)acetyl]oxy}card- 20(22)- enolide
Smiles: O=C[C@@]12CC[C@@H](C[C@@]2(O)CCC2C1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)OC(=O)C[N+](C)(C)C

STL552782
Synonyms: 1- (3- cyanopropyl)- 6,7- dimethoxy- 2,3,3- trimethyl- 3,4- dihydroisoquinolinium
Smiles: N#CCCCC1=[N+](C)C(Cc2c1cc(OC)c(c2)OC)(C)C

STL552783
Synonyms: methyl11- cyclohexyl- 1,2,3,3a,6,7- hexahydro[1,4]diazepino[3,2,1- jk]carbazole- 4(5H)- carboxylate
Smiles: COC(=O)N1CCCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1

STL552784
Synonyms: (4aR,9aS)- 6- cyclohexyl- 2,3,4,4a,9,9a- hexahydro- 1H- carbazol- 1- one
Smiles: O=C1CCC[C@H]2[C@@H]1Nc1c2cc(cc1)C1CCCCC1

STL552785
Synonyms: 5- (2- cyanoethyl)- 2,2,8- trimethyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: N#CCCn1c2ccc(cc2c2c1CC[N+](C2)(C)C)C

STL552786
Synonyms: N- (4- methoxyphenyl)- 1- [(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]cyclohexanecarboxamide
Smiles: COc1ccc(cc1)NC(=O)C1(CCCCC1)N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1

STL552787
Synonyms: 2,2'- [(5xi,9xi,13xi,17xi,18xi,19xi)- lup- 20(29)- ene- 3,28- diylbis(oxycarbonyl)]dibenzoate
Smiles: [O-]C(=O)c1ccccc1C(=O)OCC12CCC(C2C2[C@](CC1)(C)[C@]1(C)CCC3[C@](C1CC2)(C)CCC(C3(C)C)OC(=O)c1ccccc1C(=O)[O-])C(=C)C

STL552788
Synonyms: 3- [(5aR)- 6,7,8,9,9a,10,11,12,13,14- decahydro- 2H- benzimidazo[2,1- e]acridin- 2- ylidene]pentane- 2,4- dione
Smiles: CC(=O)C(=c1ccc2=N[C@]34N(c2c1)C1=C(CCCC1)CC4CCCC3)C(=O)C

STL552789
Synonyms: (phenylcarbonyl){[2- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}azanide
Smiles: S=C(N1CCCCC1c1cccnc1)[N-]C(=O)c1ccccc1

STL552790
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- carboxylate
Smiles: CO/N=C(/c1cnc(s1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])COC(=O)C

STL552791
Synonyms: (13aR)- 5,7- diphenyl- 1,2,3,4,4a,5- hexahydro- 10H- benzimidazo[2,1- j]quinolin- 10- one
Smiles: O=C1C=CC2=N[C@]34N(C2=C1)C(=CC(C4CCCC3)c1ccccc1)c1ccccc1

STL552792
Synonyms: 1- hydroxy- 2- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]carbonyl}anthracene- 9,10- dione
Smiles: O=C(c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1)N1CC2(CC1CC(C2)(C)C)C

STL552793
Synonyms: 10'- ethyl- 5',6',7',8'- tetrahydrospiro[cyclohexane- 1,2'- [1,3,10]triaza[4a,8](methanoiminomethano)quinazolin]- 4'(3'H)- one
Smiles: CCN1CC2CCCC3(C1)C2=NC1(NC3=O)CCCCC1

STL552794
Synonyms: biphenyl- 2,3',4,5',6- pentol
Smiles: Oc1cc(O)c(c(c1)O)c1cc(O)cc(c1)O

STL552795
Synonyms: {[3- (1,3- benzodioxol- 5- yl)- 2- methyl- 4- oxo- 6- propyl- 4H- chromen- 7- yl]oxy}acetate
Smiles: CCCc1cc2c(cc1OCC(=O)[O-])oc(c(c2=O)c1ccc2c(c1)OCO2)C

STL552796
Synonyms: 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)- 2- (thiomorpholin- 4- yl)ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCSCC1

STL552797
Synonyms: 2- (4- methylpiperidin- 1- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CC1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552798
Synonyms: 1- [2- oxo- 2- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethyl]piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552799
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCN(CC1)Cc1ccccc1

STL552800
Synonyms: 2- (2- ethylpiperidin- 1- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CCC1CCCCN1CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552801
Synonyms: 7,7'- [(1- phenyl- 1,2,3,4- tetrahydronaphthalene- 1,4- diyl)bis(carbonyloxy)]bis(9,9- dimethyl- 3- oxa- 9- azoniatricyclo[3.3.1.0~2,4~]nonane)
Smiles: O=C(C1CCC(c2c1cccc2)(C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3)c1ccccc1)OC1CC2C3C(C(C1)[N+]2(C)C)O3

STL552802
Synonyms: ethyl4- [2- oxo- 2- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552803
Synonyms: ethyl1- [2- oxo- 2- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethyl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552804
Synonyms: 2,4,10- trimethyl- 11bH- benzo[d]cyclohepta[1,2- b:3,4- b']difuran- 11b- ylium
Smiles: Cc1ccc2c(c1)[C+]1C(=CC=C(c3c1oc(c3)C)C)O2

STL552805
Synonyms: 2- (2- methylpiperidin- 1- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCCCC1C

STL552806
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL552807
Synonyms: 3,4- anhydro- 3- carboxylato- 2- deoxypentaricacid
Smiles: OC(=O)CC1(OC1C(=O)O)C(=O)[O-]

STL552808
Synonyms: 5- [2- (2- hydroxy- 5- methylphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc(C)ccc1O)[N+](CC2)(C)C

STL552809
Synonyms: 1- [(4a'R,6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cyclopentane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinolin]- 2'(1'H)- yl]ethanone
Smiles: CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCC2

STL552810
Synonyms: 5- [2- (2- hydroxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccccc1O)[N+](CC2)(C)C

STL552811
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)CC1=C(C)CCC[C@@]1(C2)C

STL552812
Synonyms: 5- [2- hydroxy- 2- (4- methoxyphenyl)ethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccc(cc1)OC)O)[N+](CC2)(C)C

STL552813
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- (4- methylcyclohex- 3- en- 1- yl)- 2- oxoethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCC(=CC1)C)[N+](CC2)(C)C

STL552814
Synonyms: 6- (2- amino- 2- oxoethyl)- 5- [(2,6- dimethylphenyl)carbamoyl]- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1c(C)cccc1C)[N+](CC2)(C)CC(=O)N

STL552815
Synonyms: 6- (2- amino- 2- oxoethyl)- 4- methoxy- 5- [1- (4- methoxyphenyl)- 1H- tetrazol- 5- yl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1ccc(cc1)OC)[N+](CC2)(C)CC(=O)N

STL552816
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 2- (thiophen- 2- yl)ethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cccs1)[N+](CC2)(C)C

STL552817
Synonyms: (1R,9aR)- 1- ({[(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1ccc(cc1)/C=C/C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552818
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1cccnc1)CC1=C(C)CCC[C@@]1(C2)C

STL552819
Synonyms: (1S,9aS)- 5- methyl- 1- ({[(2,4,5- trimethylphenyl)carbonyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: O=C(c1cc(C)c(cc1C)C)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552820
Synonyms: (1S,9aS)- 1- ({[(3- bromo- 4- methoxyphenyl)acetyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1ccc(cc1Br)CC(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552821
Synonyms: (1R,3S)- 9,9- dimethyl- 3- [(phenylcarbonyl)oxy]- 9- azoniabicyclo[3.3.1]nonane
Smiles: O=C(c1ccccc1)O[C@@H]1CC2CCCC(C1)[N+]2(C)C

STL552822
Synonyms: (5xi,6xi,7xi,11alpha)- 1- ethylmatridin- 1- ium- 15- one
Smiles: CC[N+]12CCCC3C2C(CCC1)CN1[C@H]3CCCC1=O

STL552823
Synonyms: (1R,9aR)- 1- ({[(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552824
Synonyms: 4- methoxy- 5- [(3E)- 4- (4- methoxy- 2,3,6- trimethylphenyl)- 2- oxobut- 3- en- 1- yl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(C)c(c(c1C)C)/C=C/C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552825
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)C

STL552826
Synonyms: (4aR,4bS,7R,10aR,12aR)- 7,10a- dimethyl- 1,4- dioxo- 13- (propan- 2- yl)hexadecahydro- 1H- 4b,12- ethenochrysene- 7- carboxylicacid
Smiles: O=C1CCC(=O)[C@H]2[C@@H]1[C@@]13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

STL552827
Synonyms: (1R,3S)- 3- [(furan- 2- ylcarbonyl)oxy]- 9,9- dimethyl- 9- azoniabicyclo[3.3.1]nonane
Smiles: O=C(c1ccco1)O[C@@H]1CC2CCCC(C1)[N+]2(C)C

STL552828
Synonyms: 1- [(4a'R,6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cycloheptane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinolin]- 2'(1'H)- yl]ethanone
Smiles: CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCCC2

STL552829
Synonyms: (4aS,9bR)- 5- (4- methoxy- 4- oxobutanoyl)- 2,2,8- trimethyl- 2,3,4,4a,5,9b- hexahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: COC(=O)CCC(=O)N1c2ccc(cc2[C@H]2[C@@H]1CC[N+](C2)(C)C)C

STL552830
Synonyms: 1- (1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CC2(CC1CC(C2)(C)C)C

STL552831
Synonyms: 6- (2- amino- 2- oxoethyl)- 4- methoxy- 6- methyl- 5- [(3- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)[N+](CC2)(C)CC(=O)N

STL552832
Synonyms: (1R,3S)- 3- {[(4- ethoxyphenyl)carbonyl]oxy}- 9,9- dimethyl- 9- azoniabicyclo[3.3.1]nonane
Smiles: CCOc1ccc(cc1)C(=O)O[C@@H]1CC2CCCC(C1)[N+]2(C)C

STL552833
Synonyms: (1R,9aR)- 1- [({[3- (2- chlorophenyl)- 5- methyl- 1,2- oxazol- 4- yl]carbonyl}oxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(c1c(C)onc1c1ccccc1Cl)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552834
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)CC1=C(C)CCC[C@@]1(C2)C

STL552835
Synonyms: 5- [(3E)- 4- (3,4- dimethoxyphenyl)- 2- oxobut- 3- en- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(/C=C/C(=O)CC2c3c(CC[N+]2(C)C)cc2c(c3OC)OCO2)ccc1OC

STL552836
Synonyms: (1R,9aR)- 5- methyl- 1- {[(phenylacetyl)oxy]methyl}octahydro- 2H- quinolizinium
Smiles: O=C(Cc1ccccc1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552837
Synonyms: 5- (2- cyclododecyl- 2- oxoethyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCCCCCCCCCC1)[N+](CC2)(C)C

STL552838
Synonyms: (1R,9aR)- 1- {[(6- methoxy- 6- oxohexanoyl)oxy]methyl}- 5- methyloctahydro- 2H- quinolizinium
Smiles: COC(=O)CCCCC(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552839
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)CC1=C(C)CCC[C@@]1(C2)C

STL552840
Synonyms: (1S,9aS)- 1- [({[4- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)phenyl]carbonyl}oxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C1C=CC(=O)N1c1ccc(cc1)C(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552841
Synonyms: 8- bromo- 4- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]- 5H- pyrimido[5,4- b]indole
Smiles: Brc1ccc2c(c1)c1ncnc(c1[nH]2)N1CC2(CC1CC(C2)(C)C)C

STL552842
Synonyms: (1R,3S)- 3- hydroxy- 9,9- dimethyl- 9- azoniabicyclo[3.3.1]nonane
Smiles: O[C@@H]1CC2CCCC(C1)[N+]2(C)C

STL552843
Synonyms: (1S,9aS)- 1- {[({5- [(benzylsulfanyl)methyl]furan- 2- yl}carbonyl)oxy]methyl}- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(c1ccc(o1)CSCc1ccccc1)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552844
Synonyms: (1S,9aS)- 1- [({[(1S,5S)- 3- chlorotricyclo[3.3.1.1~3,7~]dec- 1- yl]carbonyl}oxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C([C@]12CC3CC(C1)CC(C2)(C3)Cl)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552845
Synonyms: (1R,9aR)- 5- methyl- 1- {[(2- methylpropanoyl)oxy]methyl}octahydro- 2H- quinolizinium
Smiles: O=C(C(C)C)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552846
Synonyms: 4- methoxy- 5- [3- (4- methoxyphenyl)- 2- oxopropyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)Cc1ccc(cc1)OC)[N+](CC2)(C)C

STL552847
Synonyms: 3- (1- acetylpiperidin- 2- yl)- 1- methylpyridinium
Smiles: C[n+]1cccc(c1)C1CCCCN1C(=O)C

STL552848
Synonyms: 1- [(4a'R,6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cyclohexane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinolin]- 2'(1'H)- yl]ethanone
Smiles: CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCC2

STL552849
Synonyms: 7- acetyl- 9,10- dimethoxy- 2,4- dimethylfuro[2',3':3,4]cyclohepta[1,2- b]indol- 7- ium
Smiles: COc1cc2[n+](C(=O)C)c3c(c2cc1OC)c1oc(cc1c(cc3)C)C

STL552850
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(4- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccc(cc1)C)[N+](CC2)(C)C

STL552851
Synonyms: (1S,9aS)- 5- methyl- 1- ({[(2- oxo- 6- pentyl- 2H- pyran- 3- yl)carbonyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: CCCCCc1ccc(c(=O)o1)C(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552852
Synonyms: (1R,9aR)- 5- methyl- 1- [(pentanoyloxy)methyl]octahydro- 2H- quinolizinium
Smiles: CCCCC(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552853
Synonyms: (1R,9aR)- 1- ({[(4,6- dimethyl- 2- oxo- 2H- pyran- 5- yl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=c1cc(C)c(c(o1)C)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552854
Synonyms: (1R,9aR)- 1- ({[(2- chlorophenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(c1ccccc1Cl)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552855
Synonyms: 4- ({[({[(3Z,8xi,9xi,14xi,17xi)- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CCC(CC1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

STL552856
Synonyms: 2,2,2- trifluoro- 1- [(4a'R,6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cycloheptane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinolin]- 2'(1'H)- yl]ethanone
Smiles: O=C(C(F)(F)F)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCCC2

STL552857
Synonyms: (5beta,6beta,7beta)- 1- methylmatridin- 1- ium- 15- one
Smiles: O=C1CCC[C@H]2N1C[C@H]1CCC[N+]3([C@H]1[C@H]2CCC3)C

STL552858
Synonyms: (3R,4R)- 2- (3,4- dimethoxyphenyl)- 3,4- dihydroxy- 1,1,5- trimethylpyrrolidinium
Smiles: COc1cc(ccc1OC)C1[C@@H](O)[C@@H](C([N+]1(C)C)C)O

STL552859
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (3- methyl- 2- oxobutyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C(C)C)[N+](CC2)(C)C

STL552860
Synonyms: 4- methoxy- 5- [2- (2- methoxyphenyl)- 2- oxoethyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccccc1OC)[N+](CC2)(C)C

STL552861
Synonyms: 1- (4',7',8'- trimethyl- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- quinolin]- 1'- yl)ethanone
Smiles: CC(=O)N1c2c(ccc(c2C)C)C(CC21CCCCC2)C

STL552862
Synonyms: (1R,9aR)- 5- methyl- 1- {[(thiophen- 2- ylcarbonyl)oxy]methyl}octahydro- 2H- quinolizinium
Smiles: O=C(c1cccs1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552863
Synonyms: 5- [3- (3,4- dimethoxyphenyl)- 2- oxopropyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(ccc1OC)CC(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552864
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 2- (2- oxotetrahydrofuran- 3- yl)ethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCOC1=O)[N+](CC2)(C)C

STL552865
Synonyms: 4',8'- dimethyl- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- quinoline]
Smiles: CC1CC2(CCCCC2)Nc2c1cccc2C

STL552866
Synonyms:
Smiles: COC(=O)c1ccc(o1)C[N+]12[C@H](O)C(CC)[C@@H]3C4[C@H]1CC1(C(C2C3)N(C)c2c1cccc2)[C@H]4O

STL552867
Synonyms: 5- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(ccc1OC)C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552868
Synonyms: 5- [2- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCOC(C1)(C)C)[N+](CC2)(C)C

STL552869
Synonyms: 1,3- dimethyl- 5- [(1- methyl- 1H- indol- 3- yl)methyl]- 5- {[(1S)- 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)(CN1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1cn(c2c1cccc2)C

STL552870
Synonyms: (5S)- 1,3,8,8- tetramethyl- 3- [3- (trimethylammonio)propyl]- 3- azoniabicyclo[3.2.1]octane
Smiles: C[N+](CCC[N+]1(C)CC2CCC(C1)(C2(C)C)C)(C)C

STL552871
Synonyms: (1R,9aR)- 1- ({[(2- bromo- 1- methylcyclopropyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: BrC1CC1(C)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552872
Synonyms: 4- methoxy- 6,6- dimethyl- 5- {2- [4- (2- methylpropyl)phenyl]- 2- oxoethyl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC(C)C)[N+](CC2)(C)C

STL552873
Synonyms: (1S,9aR)- 1- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C1N(C[C@@H]2CCC[N+]3([C@@H]2CCCC3)C)C(=O)c2c1cccc2

STL552874
Synonyms: 5- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1c(C)cccc1C)[N+](CC2)(C)C

STL552875
Synonyms: 5- [(2,6- dimethylphenyl)carbamoyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1c(C)cccc1C)[N+](CC2)(C)C

STL552876
Synonyms: 1,9- dimethyl- 6- oxo- 6,9- dihydro- 1H- purine- 2- thiolate
Smiles: [S-]c1nc2n(C)cnc2c(=O)n1C

STL552877
Synonyms: 5- [(diphenylmethyl)carbamoyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)NC(c1ccccc1)c1ccccc1)[N+](CC2)(C)C

STL552878
Synonyms: N~2~- [(1- aminocyclohexyl)carbonyl]- L- arginine
Smiles: OC(=O)[C@@H](NC(=O)C1(N)CCCCC1)CCCNC(=N)N

STL552879
Synonyms: 4- methoxy- 5- [2- (4- methoxyphenyl)- 2- oxoethyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)OC)[N+](CC2)(C)C

STL552880
Synonyms: (1S,9aR)- 1- (2- {[(4- butoxyphenyl)carbonyl]oxy}ethyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: CCCCOc1ccc(cc1)C(=O)OCC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552881
Synonyms: 1- [(4aR,6S,8aR)- 1'- ethyl- 4,4a,5,6- tetrahydrospiro[6,8a- epoxyisoquinoline- 3,4'- piperidin]- 2(1H)- yl]ethanone
Smiles: CCN1CCC2(CC1)C[C@@H]1C[C@H]3O[C@@]1(CN2C(=O)C)C=C3

STL552882
Synonyms: 5- (5- bromo- 1H- indol- 3- yl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1c[nH]c3c1cc(Br)cc3)[N+](CC2)(C)C

STL552883
Synonyms: methyl(4bS,7R,10aR)- 7,10a- dimethyl- 1,4- dioxo- 13- (propan- 2- yl)- 4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a- tetradecahydro- 1H- 4b,12- ethenochrysene- 7- carboxylate
Smiles: COC(=O)[C@]1(C)CCC[C@]2(C1CC[C@@]13C2CC(C(=C1)C(C)C)C1C3C(=O)C=CC1=O)C

STL552884
Synonyms: 5- [(3E)- 4- (4,6- dimethylcyclohex- 3- en- 1- yl)- 2- oxobut- 3- en- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/C1CC=C(CC1C)C)[N+](CC2)(C)C

STL552885
Synonyms: 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- D- prolyl- L- leucylglycinamide
Smiles: CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)[C@@H]1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STL552886
Synonyms: 4- methoxy- 6,6- dimethyl- 5- {2- oxo- 3- [4- (propan- 2- yloxy)phenyl]propyl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)Cc1ccc(cc1)OC(C)C)[N+](CC2)(C)C

STL552887
Synonyms: (1R,9aR)- 1- {[(diphenylacetyl)oxy]methyl}- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(C(c1ccccc1)c1ccccc1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552888
Synonyms: 4',7',8'- trimethyl- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- quinoline]
Smiles: CC1CC2(CCCCC2)Nc2c1ccc(c2C)C

STL552889
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1)Cl)CC1=C(C)CCC[C@@]1(C2)C

STL552890
Synonyms: (1R,9aR)- 1- ({[(2E)- 3- (2,3- dimethoxyphenyl)prop- 2- enoyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1c(cccc1OC)/C=C/C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552891
Synonyms: (1R,4S,5S,7R,8R,9R,13R,16S)- 11- ethyl- 13- methyl- 6- methylidene- 11- azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane- 4,7,16- triyltribenzoate(non- preferredname)
Smiles: CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@@H](CC23)[C@]12C4C[C@@H]([C@@H](C1)C(=C)[C@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1

STL552892
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 2- (3,4,5- trimethoxyphenyl)ethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(cc(c1OC)OC)C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552893
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)CC1=C(C)CCC[C@@]1(C2)C

STL552894
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3E)- 2- oxo- 4- (2,6,6- trimethylcyclohex- 2- en- 1- yl)but- 3- en- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/C1C(=CCCC1(C)C)C)[N+](CC2)(C)C

STL552895
Synonyms: (1S,9aS)- 5- methyl- 1- ({[(2- oxo- 2H- chromen- 3- yl)carbonyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: O=C(c1cc2ccccc2oc1=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552896
Synonyms: 4- {[(4- oxo- 4- {[(8xi,9xi,14xi)- 3- oxoandrost- 4- en- 17- yl]oxy}butanoyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC1CCC(CC1)C(=O)O

STL552897
Synonyms: 5- [2- (3,4- dimethoxyphenyl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(ccc1OC)C(CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1)O

STL552898
Synonyms: (1R,9aR)- 1- [({[1- (4- chlorophenyl)cyclopentyl]carbonyl}oxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: Clc1ccc(cc1)C1(CCCC1)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552899
Synonyms: (1S,9aS)- 1- ({[(3- chlorophenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: Clc1cccc(c1)C(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552900
Synonyms: (1S,9aS)- 1- [(hexadecanoyloxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552901
Synonyms: methyl(7R,10aR)- 3- chloro- 7,10a- dimethyl- 1,4- dioxo- 13- (propan- 2- yl)- 4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a- tetradecahydro- 1H- 4b,12- ethenochrysene- 7- carboxylate
Smiles: COC(=O)[C@]1(C)CCC[C@]2(C1CCC13C2CC(C(=C1)C(C)C)C1C3C(=O)C(=CC1=O)Cl)C

STL552902
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- (3- methyl- 2- oxotetrahydrofuran- 3- yl)- 2- oxoethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1(C)CCOC1=O)[N+](CC2)(C)C

STL552903
Synonyms: (1S)- 1- ({[(4- methoxyphenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1ccc(cc1)C(=O)OC[C@H]1CCC[N+]2(C1CCCC2)C

STL552904
Synonyms: 4- methoxy- 5- [2- (3- methoxyphenyl)- 2- oxoethyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cccc(c1)OC)[N+](CC2)(C)C

STL552905
Synonyms:
Smiles: COc1cc2c(cc1OC)CCN([C@H]2C)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)C

STL552906
Synonyms: (1S,9aS)- 5- methyl- 1- ({[(2E,4E)- 3- methyl- 5- (naphthalen- 2- yl)penta- 2,4- dienoyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: O=C(/C=C(/C=C/c1ccc2c(c1)cccc2)\C)OC[C@H]1CCC[N+]2([C@H]1CCCC2)C

STL552907
Synonyms: 5- [(1- benzyl- 1H- indol- 3- yl)methyl]- 1,3- dimethyl- 5- {[(1S)- 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)(CN1CC2CC(C1)c1n(C2)c(=O)ccc1)Cc1cn(c2c1cccc2)Cc1ccccc1

STL552908
Synonyms: 1,14- diethyl- 3,12- diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca- 5,7,9- triene- 4,11,15- trione(non- preferredname)
Smiles: CCC12CN3CC(C2=O)(CN(C1)C(=O)c1c(C3=O)cccc1)CC

STL552909
Synonyms: (7R,10aR)- 7,10a- dimethyl- 1,4- dioxo- 13- (propan- 2- yl)- 4,4a,5,6,6a,7,8,9,10,10a,10b,11,12,12a- tetradecahydro- 1H- 4b,12- ethenochrysene- 7- carboxylicacid
Smiles: O=C1C=CC(=O)C2C1C13CCC4[C@](C3CC2C(=C1)C(C)C)(C)CCC[C@@]4(C)C(=O)O

STL552910
Synonyms: 5- [2- (6- tert- butyl- 1,1- dimethyl- 2,3- dihydro- 1H- inden- 4- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc(cc3c1CCC3(C)C)C(C)(C)C)[N+](CC2)(C)C

STL552911
Synonyms: 4- methoxy- 5- (5- methoxy- 1H- indol- 3- yl)- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1c[nH]c3c1cc(OC)cc3)[N+](CC2)(C)C

STL552912
Synonyms: 4- methoxy- 6,6- dimethyl- 5- {2- [4- (4- methylpent- 3- en- 1- yl)cyclohex- 3- en- 1- yl]- 2- oxoethyl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCC(=CC1)CCC=C(C)C)[N+](CC2)(C)C

STL552913
Synonyms: (1R,9aR)- 1- ({[(4- chlorophenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: Clc1ccc(cc1)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552914
Synonyms: (1R,9aR)- 1- [(acryloyloxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: C=CC(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552915
Synonyms: (1R,9aR)- 5- methyl- 1- ({[(2E)- 3- phenylprop- 2- enoyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552916
Synonyms: 5- [2- (1,1,2,3,3,6- hexamethyl- 2,3- dihydro- 1H- inden- 5- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C(C3(C)C)C)(C)C)[N+](CC2)(C)C

STL552917
Synonyms: 4',8'- dimethyl- 3',4'- dihydro- 1'H- spiro[cycloheptane- 1,2'- quinoline]
Smiles: CC1CC2(CCCCCC2)Nc2c1cccc2C

STL552918
Synonyms: 5- (2- hydroxypropyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(O)C)[N+](CC2)(C)C

STL552919
Synonyms: (3R,4R,5S)- 4,5- bis(acetyloxy)- 6- [(acetyloxy)methyl]- 6- methyl- 3- (pentadecanoylamino)tetrahydro- 2H- pyran- 2- ylphenylacetate(non- preferredname)
Smiles: CCCCCCCCCCCCCCC(=O)N[C@H]1C(OC(=O)Cc2ccccc2)O[C@]([C@H]([C@@H]1OC(=O)C)OC(=O)C)(C)COC(=O)C

STL552920
Synonyms: 5- [2- (2,5- dimethoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1ccc(c(c1)C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1)OC

STL552921
Synonyms: 5- [2- (3,5,5,6,8,8- hexamethyl- 5,6,7,8- tetrahydronaphthalen- 2- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc3c(cc1C)C(C)(C)C(CC3(C)C)C)[N+](CC2)(C)C

STL552922
Synonyms: 5- [2- (1,3- benzodioxol- 5- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c(c1)OCO3)[N+](CC2)(C)C

STL552923
Synonyms: 5- [2- (2- hydroxy- 4- methoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1O)OC)[N+](CC2)(C)C

STL552924
Synonyms: [2,7,12,17- tetraethyl- 3,8,13,18- tetramethyl- 1,20- dihydroporphyrinato(2- )- kappa~2~N~21~,N~23~]cobalt(1+)
Smiles: CCC1=C(C)C2=NC1=Cc1n3[Co+]N4C(C2)C(=C(C4=CC2=NC(=Cc3c(c1C)CC)C(=C2CC)C)C)CC

STL552925
Synonyms: 5- [2- (2,5- dimethylfuran- 3- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc(oc1C)C)[N+](CC2)(C)C

STL552926
Synonyms: 13- imino- 9,10- dimethoxy- 3,3- dimethyl- 1- oxo- 2,3,4,6,7,13- hexahydro- 1H- isoquino[2,1- a]quinolinium
Smiles: COc1cc2c(cc1OC)CC[NH+]1C2=CC(=N)C2=C1CC(CC2=O)(C)C

STL552927
Synonyms: 4'- methyl- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- quinoline]
Smiles: CC1CC2(CCCCC2)Nc2c1cccc2

STL552928
Synonyms: 4- methoxy- 5- [4- (4- methoxyphenyl)- 2- oxobutyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CCc1ccc(cc1)OC)[N+](CC2)(C)C

STL552929
Synonyms: (1R,9aR)- 1- ({[(3,5- dimethoxyphenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1cc(OC)cc(c1)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552930
Synonyms: 6- benzyl- 4- methoxy- 6- methyl- 5- (phenylcarbamoyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1)[N+](CC2)(C)Cc1ccccc1

STL552931
Synonyms: (1R,9aR)- 1- {[(2,2- dimethylpropanoyl)oxy]methyl}- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(C(C)(C)C)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552932
Synonyms: methyl(4aR,4bS,7R,10aR,12aR)- 7,10a- dimethyl- 1,4- dioxo- 13- (propan- 2- yl)hexadecahydro- 1H- 4b,12- ethenochrysene- 7- carboxylate
Smiles: COC(=O)[C@]1(C)CCC[C@]2(C1CC[C@@]13C2CC(C(=C1)C(C)C)[C@@H]1[C@H]3C(=O)CCC1=O)C

STL552933
Synonyms: 1- [(2'S,3a'R,7a'S)- hexahydrospiro[cycloheptane- 1,5'- [1,8]dioxa[6]aza[2,7a]epoxyoxireno[h]isoquinolin]- 6'(7'H)- yl]ethanone
Smiles: CC(=O)N1C[C@@]23O[C@H](C[C@H]2CC21CCCCCC2)C1C3O1

STL552934
Synonyms: (1R,9aR)- 5- methyl- 1- ({[(2- methylphenyl)carbonyl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: O=C(c1ccccc1C)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552935
Synonyms: 6- benzyl- 4- methoxy- 6- methyl- 5- [(2- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[N+](CC2)(C)Cc1ccccc1

STL552936
Synonyms: 6,7- dimethoxy- 2- (2- methoxy- 2- oxoethyl)- 3,3- dimethyl- 3,4- dihydroisoquinolinium
Smiles: COC(=O)C[N+]1=Cc2cc(OC)c(cc2CC1(C)C)OC

STL552937
Synonyms: 5- benzyl- 2- methyl- 5- propyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 5- ium
Smiles: CCC[N+]1(Cc2ccccc2)C2=C(c3c1cccc3)CN(CC2)C

STL552938
Synonyms: 4- methoxy- 6,6- dimethyl- 5- {2- [4- (methylsulfanyl)phenyl]- 2- oxoethyl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)SC)[N+](CC2)(C)C

STL552939
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [1- (3- methylphenyl)- 1H- tetrazol- 5- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1cccc(c1)C)[N+](CC2)(C)C

STL552940
Synonyms: 6- (2- amino- 2- oxoethyl)- 5- [(diphenylmethyl)carbamoyl]- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)NC(c1ccccc1)c1ccccc1)[N+](CC2)(C)CC(=O)N

STL552941
Synonyms: 4- methoxy- 5- [(3E)- 4- (4- methoxyphenyl)- 2- oxobut- 3- en- 1- yl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1ccc(cc1)OC)[N+](CC2)(C)C

STL552942
Synonyms: 5- [2- (2,4- dimethylphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1C)C)[N+](CC2)(C)C

STL552943
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- (4- methylphenyl)- 2- oxoethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)C)[N+](CC2)(C)C

STL552944
Synonyms: (1R,9aR)- 1- ({[(2,4- dichlorophenoxy)acetyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(COc1ccc(cc1Cl)Cl)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552945
Synonyms: 6- (2- amino- 2- oxoethyl)- 5- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1C(c1ccccc1)c1ccccc1)[N+](CC2)(C)CC(=O)N

STL552946
Synonyms: (3alpha,5alpha,8xi,9xi,14xi)- 3,17- bis(acetyloxy)- 2,16- bis(1- methylpiperidinium- 1- yl)androstane
Smiles: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]1(C)CCCCC1)C)CC[C@]1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C

STL552947
Synonyms: 6- (2- amino- 2- oxoethyl)- 4- methoxy- 6- methyl- 5- [(2- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[N+](CC2)(C)CC(=O)N

STL552948
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1cccc(c1)C)[N+](CC2)(C)C

STL552949
Synonyms: (19E)- 4- butyl- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: CCCC[N+]12CCC34[C@@H]2C[C@@H](/C(=C\C)/C1)C(=C3Nc1c4cccc1)C=O

STL552950
Synonyms: (1R,9aR)- 5- methyl- 1- {[(phenylcarbonyl)oxy]methyl}octahydro- 2H- quinolizinium
Smiles: O=C(c1ccccc1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL552951
Synonyms: 5- benzyl- 5- ethyl- 2- methyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 5- ium
Smiles: CC[N+]1(Cc2ccccc2)C2=C(c3c1cccc3)CN(CC2)C

STL552952
Synonyms: 5- [4- (4- hydroxyphenyl)- 2- oxobutyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CCc1ccc(cc1)O)[N+](CC2)(C)C

STL552953
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 2- (4- pentylphenyl)ethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCCCCc1ccc(cc1)C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552954
Synonyms: N- [({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]glycylvaline
Smiles: CC(C(C(=O)O)NC(=O)CNC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C#C)C)C)C

STL552955
Synonyms: 5- [2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c(c1)OCCO3)[N+](CC2)(C)C

STL552956
Synonyms: 5- benzyl- 2- methyl- 5- (propan- 2- yl)- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 5- ium
Smiles: CN1CCC2=C(C1)c1ccccc1[N+]2(Cc1ccccc1)C(C)C

STL552957
Synonyms: 5- [2- (4- fluorophenyl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccc(cc1)F)O)[N+](CC2)(C)C

STL552958
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [1- (2- methylphenyl)- 1H- tetrazol- 5- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1ccccc1C)[N+](CC2)(C)C

STL552959
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- ylhexadecanoate
Smiles: CCCCCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL552960
Synonyms: 4- methoxy- 5- [(4- methoxyphenyl)carbamoyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccc(cc1)OC)[N+](CC2)(C)C

STL552961
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3E)- 2- oxo- 4- phenylbut- 3- en- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1ccccc1)[N+](CC2)(C)C

STL552962
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 9- [(2E)- 3- (3- methoxyphenyl)prop- 2- enoyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cccc(c2)OC)OCO1

STL552963
Synonyms: 1- (8- cyclohexyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)- 3- hydroxypropan- 2- one
Smiles: OCC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1

STL552964
Synonyms:
Smiles: COc1ccc(cc1)C1(CCNCC2C(=O)O[C@H]3[C@@H]2CC2=C(C)CCC[C@@]2(C3)C)CCOC(C1)(C)C

STL552965
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(2,6,6- trimethyltetrahydro- 2H- pyran- 2- yl)ethynyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CC1(C)CCCC(O1)(C)C)[N+](CC2)(C)C

STL552966
Synonyms: 8- methoxy- 4- (1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CC2(CC1CC(C2)(C)C)C

STL552967
Synonyms: (3R,3aR)- 3- hydroxy- 5- methoxy- 9,9- dimethyl- 3,3a,8,9,10,11,11a,11b- octahydro[1]benzofuro[4,3,2- efg][2]benzazocin- 9- ium
Smiles: COc1ccc2c3c1O[C@@H]1C3C(C=C[C@H]1O)CC[N+](C2)(C)C

STL552968
Synonyms: 9- [(2E)- 3- (3- fluorophenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cccc(c2)F)OCO1

STL552969
Synonyms: 9- [(2E)- 3- (4- ethoxy- 3- methoxyphenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCOc1ccc(cc1OC)/C=C/C(=O)c1c2CC[N+](Cc2c(c2c1OCO2)OC)(C)CC(=O)OC

STL552970
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- yldecanoate
Smiles: CCCCCCCCCC(=O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL552971
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)C

STL552972
Synonyms: 5- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1C(c1ccccc1)c1ccccc1)[N+](CC2)(C)C

STL552973
Synonyms: 9- [(2E)- 3- (2,4- dimethoxyphenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2OC)OC)OCO1

STL552974
Synonyms: 9- [(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)Cl)OCO1

STL552975
Synonyms: 5- {1- [4- (ethoxycarbonyl)phenyl]- 1H- tetrazol- 5- yl}- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCOC(=O)c1ccc(cc1)n1nnnc1C1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552976
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (2- oxo- 3- phenylpropyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)Cc1ccccc1)[N+](CC2)(C)C

STL552977
Synonyms: 5- (2- hydroxy- 2- phenylethyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccccc1)O)[N+](CC2)(C)C

STL552978
Synonyms: 5- (2- hydroxy- 3- methylbutyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(C(C)C)O)[N+](CC2)(C)C

STL552979
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 9- [(2E)- 3- (2- methoxyphenyl)prop- 2- enoyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccccc2OC)OCO1

STL552980
Synonyms: 2,3,10,11- tetramethoxy- 8- (4- methylphenyl)- 8,13- dihydroisoquino[3,2- a]isoquinolinium
Smiles: COc1cc2c(cc1OC)Cc1[n+](C2c2ccc(cc2)C)ccc2c1cc(OC)c(c2)OC

STL552981
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- ylpentadecanoate
Smiles: CCCCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL552982
Synonyms: 9- [(2E)- 3- (4- fluorophenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)F)OCO1

STL552983
Synonyms: 2,5- dichloro- 3- (1H- imidazol- 1- yl)- 4,4- dimethoxy- 5- (prop- 2- en- 1- yl)cyclopent- 2- en- 1- one
Smiles: C=CCC1(Cl)C(=O)C(=C(C1(OC)OC)n1cncc1)Cl

STL552984
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (2- oxobutyl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCC(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL552985
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(2- methylphenyl)carbamoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccccc1C)[N+](CC2)(C)C

STL552986
Synonyms: 1- (2- bromo- 4,5- dimethoxybenzyl)- 6,7- dimethoxyisoquinolinium
Smiles: COc1cc(Br)c(cc1OC)Cc1[nH+]ccc2c1cc(OC)c(c2)OC

STL552987
Synonyms: 4- methoxy- 5- [1- (4- methoxyphenyl)- 1H- tetrazol- 5- yl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1ccc(cc1)OC)[N+](CC2)(C)C

STL552988
Synonyms: 5- [2- (4- ethylphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)CC)[N+](CC2)(C)C

STL552989
Synonyms: 5- [2- (4- fluorophenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)F)[N+](CC2)(C)C

STL552990
Synonyms: 6- [(10R,13S,17R)- 11,17- dihydroxy- 10,13- dimethyl- 3- oxo- 2,3,6,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 17- yl]- 4,6- dioxo- N- [(3R)- 2- oxoazepan- 3- yl]hexanamide(non- preferred
Smiles: O=C(CC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC1CCCCNC1=O

STL552991
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [({(E)- [1- (4- methylphenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}amino)methyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)[N+](CC2)(C)C

STL552992
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3E)- 5,5,5- trifluoro- 4- hydroxy- 2- oxopent- 3- en- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C(\C(F)(F)F)/O)[N+](CC2)(C)C

STL552993
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)c1ccco1)CC1=C(C)CCC[C@@]1(C2)C

STL552994
Synonyms: 6- (2- amino- 2- oxoethyl)- 4- methoxy- 5- [(4- methoxyphenyl)carbamoyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccc(cc1)OC)[N+](CC2)(C)CC(=O)N

STL552995
Synonyms: 5- [2- (1,3- benzodioxol- 5- yl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccc3c(c1)OCO3)O)[N+](CC2)(C)C

STL552996
Synonyms: 9- [(2E)- 3- (2,3- dimethoxyphenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cccc(c2OC)OC)OCO1

STL552997
Synonyms: (5's,7's)- 5',7'- di(propan- 2- yl)- 1',3'- diazaspiro[cyclohexane- 1,2'- tricyclo[3.3.1.1~3,7~]decan]- 6'- one
Smiles: CC([C@]12CN3C[C@@](C2=O)(CN(C1)C13CCCCC1)C(C)C)C

STL552998
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- yltetradecanoate
Smiles: CCCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL552999
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- ylnonanoate
Smiles: CCCCCCCCC(=O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL553000
Synonyms: 9- [(2E)- 3- (2- chlorophenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccccc2Cl)OCO1

STL553001
Synonyms: 5- (5- bromo- 1H- indol- 1- yl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(n1ccc3c1ccc(c3)Br)[N+](CC2)(C)C

STL553002
Synonyms: 2,3,10,11- tetramethoxy- 8- (4- methoxyphenyl)- 8,13- dihydroisoquino[3,2- a]isoquinolinium
Smiles: COc1ccc(cc1)C1c2cc(OC)c(cc2Cc2[n+]1ccc1c2cc(c(c1)OC)OC)OC

STL553003
Synonyms: (2xi,3xi)- 4- methylcur- 19- en- 4- ium- 17- ol
Smiles: C/C=C\1/C[N+]2(C)CCC34C2C[C@@H]1[C@@H](CO)C3Nc1c4cccc1

STL553004
Synonyms: 5- (acryloylamino)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: C=CC(=O)NC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553005
Synonyms: 4- amino- 2- [(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)methyl]- 1- methylquinolinium
Smiles: COc1c2c(CCN(C2Cc2cc(N)c3c([n+]2C)cccc3)C)cc2c1OCO2

STL553006
Synonyms: 1- (4,5- dimethoxy- 2- nitrobenzyl)- 6,7- dimethoxyisoquinolinium
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)Cc1[nH+]ccc2c1cc(OC)c(c2)OC

STL553007
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 9- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)C)OCO1

STL553008
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- ylundec- 10- enoate
Smiles: C=CCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL553009
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- yltridecanoate
Smiles: CCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL553010
Synonyms: 3- (2- {[({[(3E,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]amino}ethyl)- 5- methoxy- 1H- indole- 2- carboxylicacid
Smiles: C[C@@]12CC/C(=N\OCC(=O)NCCc3c(C(=O)O)[nH]c4c3cc(OC)cc4)/C=C2CCC2C1CC[C@]1(C2CCC1(O)C#C)C

STL553011
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 9- {(2E)- 3- [4- (prop- 2- en- 1- yloxy)phenyl]prop- 2- enoyl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: C=CCOc1ccc(cc1)/C=C/C(=O)c1c2CC[N+](Cc2c(c2c1OCO2)OC)(C)CC(=O)OC

STL553012
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(2,5,5- trimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl)ethynyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CC1(C)CCC3C(O1)c1ccccc1OC3(C)C)[N+](CC2)(C)C

STL553013
Synonyms: 6,7- dimethoxy- 1,2- dimethyl- 3,4- dihydroisoquinolinium
Smiles: COc1cc2c(cc1OC)CC[N+](=C2C)C

STL553014
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 9- [(2E,4E)- 4- methyl- 5- phenylpenta- 2,4- dienoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/C(=C/c2ccccc2)/C)OCO1

STL553015
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [1- (4- methylphenyl)- 1H- tetrazol- 5- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(c1nnnn1c1ccc(cc1)C)[N+](CC2)(C)C

STL553016
Synonyms: (5alpha)- 14- hydroxy- 6- oxo- 17- (prop- 2- en- 1- yl)- 4,5- epoxymorphinan- 3- yldodecanoate
Smiles: CCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=C

STL553017
Synonyms: 9- [(2E)- 3- (2,5- dimethoxyphenyl)prop- 2- enoyl]- 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cc(OC)ccc2OC)OCO1

STL553018
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 9- [(2E)- 3- (4- methoxyphenyl)prop- 2- enoyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)OC)OCO1

STL553019
Synonyms: 5- [(3E)- 4- (1H- indol- 3- yl)- 2- oxobut- 3- en- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1c[nH]c3c1cccc3)[N+](CC2)(C)C

STL553020
Synonyms: N- benzyl- N- methyl- 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- aminium
Smiles: CC([N+](Cc1ccccc1)(CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C)C)C

STL553021
Synonyms: 4- ({[({[(3Z,8xi,9xi,14xi)- 17- hydroxypregn- 4- en- 20- yn- 3- ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC3CCC(CC3)C(=O)O)/CC[C@]12C

STL553022
Synonyms: 4- methoxy- 6- (2- methoxy- 2- oxoethyl)- 6- methyl- 9- [(2E)- 3- (4- nitrophenyl)prop- 2- enoyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])OCO1

STL553023
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3E,5Z)- 6- methyl- 2- oxo- 8- (2,6,6- trimethylcyclohex- 1- en- 1- yl)octa- 3,5- dien- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/C=C(\CCC1=C(C)CCCC1(C)C)/C)[N+](CC2)(C)C

STL553024
Synonyms: 5- (3- {4- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}prop- 1- yn- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1)C=C1C(=O)N(C)C(=O)N(C1=O)C)[NH+](CC2)C

STL553025
Synonyms:
Smiles: COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1CC1=C(C)CCC[C@@]1(C3)C)c[nH]2

STL553026
Synonyms: (4R)- 6- phenyl- 7- oxa- 1- azaspiro[bicyclo[2.2.1]heptane- 2,1'- cyclopentane]
Smiles: c1ccc(cc1)C1C[C@@H]2ON1C1(C2)CCCC1

STL553027
Synonyms: (8xi,9xi,14xi)- 16- hydroxy- 16- [(4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)ethynyl]androst- 4- en- 3- one
Smiles: COc1c2OCOc2cc2c1C(C#CC1(O)CC3[C@](C1)(C)CCC1C3CCC3=CC(=O)CC[C@]13C)[NH+](CC2)C

STL553028
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- {[({[(3E,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)C

STL553029
Synonyms: N,N,N- trimethyl- 3- ({[5- (1- phenylethyl)furan- 2- yl]carbonyl}oxy)butan- 1- aminium
Smiles: CC(OC(=O)c1ccc(o1)C(c1ccccc1)C)CC[N+](C)(C)C

STL553030
Synonyms: 5- {[4- (ethoxycarbonyl)phenyl]carbamoyl}- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553031
Synonyms: 3- {[(4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinolin- 3- yl)carbonyl]amino}- N,N,N- trimethylpropan- 1- aminium
Smiles: O=C(c1c(=O)[nH]c2c(c1O)CCCC2)NCCC[N+](C)(C)C

STL553032
Synonyms: 5- (3- {4- bromo- 2- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}prop- 1- yn- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1C=C1C(=O)N(C)C(=O)N(C1=O)C)Br)[NH+](CC2)C

STL553033
Synonyms: 8- (3,4- dimethoxyphenyl)- 2,3,10,11- tetramethoxy- 8,13- dihydroisoquino[3,2- a]isoquinolinium
Smiles: COc1cc2c(cc1OC)Cc1[n+](C2c2ccc(c(c2)OC)OC)ccc2c1cc(OC)c(c2)OC

STL553034
Synonyms: (1S)- 6,7- dimethoxy- 1- methyl- 2- [2- (2- methyl- 1H- indol- 3- yl)- 2- oxoethyl]- 1,2,3,4- tetrahydroisoquinolinium
Smiles: COc1cc2c(cc1OC)CC[NH+]([C@H]2C)CC(=O)c1c(C)[nH]c2c1cccc2

STL553035
Synonyms: 5- (4- hydroxybut- 1- yn- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: OCCC#CC1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

STL553036
Synonyms: 4- ({[({[(3Z,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CCC(CC1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

STL553037
Synonyms: 5- (3- hydroxy- 3,5- dimethylhex- 1- yn- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CC(CC(C)C)(O)C)[NH+](CC2)C

STL553038
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- [(furan- 2- ylmethyl)amino]- 4- oxobutanoate
Smiles: O=C(NCc1ccco1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL553039
Synonyms: 2- butyl- 6,7- dimethoxy- 3,4- dihydroisoquinolinium
Smiles: CCCC[N+]1=Cc2c(CC1)cc(c(c2)OC)OC

STL553040
Synonyms: [4- (propan- 2- yloxy)benzene- 1,3- diyl]bis(N,N,N- trimethylmethanaminium)
Smiles: CC(Oc1ccc(cc1C[N+](C)(C)C)C[N+](C)(C)C)C

STL553041
Synonyms: (3- endo)- 8,8- dimethyl- 3- {[(1- phenylcyclopentyl)carbonyl]oxy}- 8- azoniabicyclo[3.2.1]octane
Smiles: O=C(C1(CCCC1)c1ccccc1)O[C@@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C

STL553042
Synonyms: 5- [2- (2,5- dichlorophenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1cc(Cl)ccc1Cl)[N+](CC2)(C)C

STL553043
Synonyms: 5- (3- {4- chloro- 2- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}prop- 1- yn- 1- yl)- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1C=C1C(=O)N(C)C(=O)N(C1=O)C)Cl)[NH+](CC2)C

STL553044
Synonyms: 5- [2- (3,5,5,6,8,8- hexamethyl- 5,6,7,8- tetrahydronaphthalen- 2- yl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1cc3c(cc1C)C(C)(C)C(CC3(C)C)C)O)[N+](CC2)(C)C

STL553045
Synonyms: (1R,9aR)- 5- methyl- 1- ({[1- (4- methylmorpholin- 4- ium- 4- yl)propan- 2- yl]oxy}methyl)octahydro- 2H- quinolizinium
Smiles: CC(C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL553046
Synonyms: 2- butyl- 6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolinium
Smiles: CCCC[N+]1=C(C)c2c(CC1)cc(c(c2)OC)OC

STL553047
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- oxo- 4- [(pyridin- 4- ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccncc1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL553048
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- oxo- 4- [(pyridin- 2- ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccccn1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL553049
Synonyms: N- (furan- 2- ylmethyl)- 2- ({[(3E,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetamide
Smiles: O=C(NCc1ccco1)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)C

STL553050
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- oxo- 4- [(thiophen- 3- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cscc1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL553051
Synonyms: 5- [(3E)- 4- (furan- 2- yl)- 2- oxobut- 3- en- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1ccco1)[N+](CC2)(C)C

STL553052
Synonyms: 5- [2- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(C1CCOC(C1)(C)C)O)[N+](CC2)(C)C

STL553053
Synonyms: 2- {[(4- hydroxy- 2- oxo- 1,2,5,6,7,8- hexahydroquinolin- 3- yl)carbonyl]amino}- N,N,N- trimethylethanaminium
Smiles: O=C(c1c(=O)[nH]c2c(c1O)CCCC2)NCC[N+](C)(C)C

STL553054
Synonyms: 2- ({[(3E,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 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(C1CCC2(O)C(=O)C)C)C

STL553055
Synonyms: 4- methoxy- 6- methyl- 5- {3- [(3- nitrophenyl)amino]prop- 1- yn- 1- yl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCNc1cccc(c1)[N+](=O)[O-])[NH+](CC2)C

STL553056
Synonyms: (1s,4s)- 3- hydroxy- 1- methyl- 2- methylidene- 3- phenyl- 1- azoniabicyclo[2.2.2]octane
Smiles: C=C1[N+]2(C)CC[C@@H](C1(O)c1ccccc1)CC2

STL553057
Synonyms: 1- [(6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cyclohexane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinolin]- 2'(1'H)- yl]propan- 1- one
Smiles: CCC(=O)N1C[C@@]23C=C[C@H](O2)CC3CC21CCCCC2

STL553058
Synonyms: (8xi,9xi,14xi,17alpha)- 11,17- dihydroxy- 3,20- dioxopregna- 1,4- dien- 21- yl4- oxo- 4- [(pyridin- 3- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)OCC(=O)C1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

STL553059
Synonyms: (1R,9aR)- 1- ({[hydroxy(diphenyl)acetyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: O=C(C(c1ccccc1)(c1ccccc1)O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL553060
Synonyms: 3- methyl- N- {[(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}benzamide
Smiles: Cc1cccc(c1)C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553061
Synonyms: 5- (3,3- dimethyl- 2- oxobutyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C(C)(C)C)[N+](CC2)(C)C

STL553062
Synonyms: 5- {[({[(3E,8xi,9xi,14xi)- 17- hydroxy- 20- oxopregn- 4- en- 3- ylidene]amino}oxy)acetyl]amino}pentanoicacid
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)C)NCCCCC(=O)O

STL553063
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (4- methyl- 2- oxopent- 3- en- 1- yl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C=C(C)C)[N+](CC2)(C)C

STL553064
Synonyms: 4- methoxy- 6- methyl- 5- [3- ({4- [(4- nitrophenyl)sulfanyl]phenyl}amino)prop- 1- yn- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCNc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])[NH+](CC2)C

STL553065
Synonyms: N- cyclohexyl- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NC1CCCCC1

STL553066
Synonyms: 4- [(4- ethylpiperazin- 1- yl)carbonyl]- 1,7,7- trimethylbicyclo[2.2.1]heptan- 2- one
Smiles: CCN1CCN(CC1)C(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553067
Synonyms: 4,7,7- trimethyl- 3- oxo- N- (1- phenylethyl)- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: CC(c1ccccc1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C

STL553068
Synonyms: ethyl4- {[(4,7,7- trimethyl- 3- oxobicyclo[2.2.1]hept- 1- yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553069
Synonyms: N- (4- acetylphenyl)- 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1=O)C)Nc1ccc(cc1)C(=O)C

STL553070
Synonyms: (7S)- 1,7- bis(bromomethyl)- 7- methylbicyclo[2.2.1]heptan- 2- one
Smiles: BrCC12CCC([C@]2(C)CBr)CC1=O

STL553071
Synonyms: (4aS)- N,N- diethyl- 12- oxo- 1,2,3,4,9,9a- hexahydro- 4a,9- (epiminoethano)xanthene- 11- carboxamide
Smiles: CCN(C(=O)C1C(=O)N[C@@]23C(C1c1ccccc1O3)CCCC2)CC

STL553072
Synonyms: propyl3- {[(4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]hept- 1- yl)carbonyl]amino}benzoate
Smiles: CCCOC(=O)c1cccc(c1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C

STL553073
Synonyms: 5,8,8- trimethyl- 2,4- dioxo- 3- oxabicyclo[3.2.1]octane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C2(C)C)(C(=O)OC1=O)C

STL553074
Synonyms: methyl4- ({[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553075
Synonyms: 1,7,7- trimethylbicyclo[2.2.1]heptan- 2- imine
Smiles: N=C1CC2C(C1(C)CC2)(C)C

STL553076
Synonyms: ethyl4- ({[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553077
Synonyms: N- (2- bromophenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccccc1Br

STL553078
Synonyms: (2S)- 2- bromo- N- (5- bromopyridin- 2- yl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Brc1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)[C@H]1Br)C

STL553079
Synonyms: 2,6- dimethoxy- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}benzamide
Smiles: COc1cccc(c1C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)OC

STL553080
Synonyms: {2- (4- bromophenyl)- 5- [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 1,3- oxazol- 4- yl}(triphenyl)phosphonium
Smiles: Brc1ccc(cc1)c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553081
Synonyms: 3,4- dimethoxy- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}benzamide
Smiles: COc1ccc(cc1OC)C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553082
Synonyms: N- (4- methoxyphenyl)- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C12CCC(C1)C(C2=C)(C)C

STL553083
Synonyms: 6'- methoxy- 1- methylcinchonan- 1- ium- 9- ol
Smiles: C=CC1C[N+]2(C)CCC1CC2C(c1ccnc2c1cc(OC)cc2)O

STL553084
Synonyms: {5- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 2- phenyl- 1,3- oxazol- 4- yl}(triphenyl)phosphonium
Smiles: O=c1cccc2n1C[C@@H]1C[C@H]2CN(C1)c1oc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

STL553085
Synonyms: 4,7,7- trimethyl- 1- (piperidin- 1- ylcarbonyl)- 2- oxabicyclo[2.2.1]heptan- 3- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCCCC1

STL553086
Synonyms: 1,7,7- trimethyl- 4- (piperidin- 1- ylcarbonyl)bicyclo[2.2.1]heptan- 2- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)N1CCCCC1

STL553087
Synonyms: methyl2- {[(3,3- dimethyl- 2- methylidenebicyclo[2.2.1]hept- 1- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C12CCC(C1)C(C2=C)(C)C

STL553088
Synonyms: N- (4- acetylphenyl)- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C1)C(C2=C)(C)C)Nc1ccc(cc1)C(=O)C

STL553089
Synonyms: 1- (3,4- dihydroisoquinolin- 2(1H)- ylcarbonyl)- 4,7,7- trimethyl- 2- oxabicyclo[2.2.1]heptan- 3- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCc2c(C1)cccc2

STL553090
Synonyms: 4,7,7- trimethyl- 3- oxo- N- (propan- 2- yl)bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: CC(NC(=O)C12CCC(C2(C)C)(C(=O)C1)C)C

STL553091
Synonyms: 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553092
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccc2c(c1)OCCO2

STL553093
Synonyms: 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C1)C(C2=C)(C)C

STL553094
Synonyms: 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

STL553095
Synonyms:
Smiles: CCCC[N+]12[C@H](O)C(CC)[C@@H]3C4[C@H]1CC1(C(C2C3)N(C)c2c1cccc2)[C@H]4O

STL553096
Synonyms: (6'S,8a'R)- 4',4a',5',6'- tetrahydrospiro[cycloheptane- 1,3'- [9]oxa[2]aza[6,8a]epoxyisoquinoline]- 2'(1'H)- carbaldehyde
Smiles: O=CN1C[C@@]23C=C[C@H](O2)CC3CC21CCCCCC2

STL553097
Synonyms: 4,7,7- trimethyl- 2,3- dioxo- N- (2,2,2- trifluoroethyl)bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1=O)C)NCC(F)(F)F

STL553098
Synonyms: (4aS)- 12- oxo- N- phenyl- 13- (prop- 2- en- 1- yl)- 1,2,3,4,9,9a- hexahydro- 4a,9- (epiminoethano)xanthene- 11- carboxamide
Smiles: C=CCN1C(=O)C(C(=O)Nc2ccccc2)C2C3[C@]1(CCCC3)Oc1c2cccc1

STL553099
Synonyms: (2R)- 2- hydroxy- 3,3- dimethylbicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C1)C([C@H]2O)(C)C

STL553100
Synonyms: 5,8,8- trimethyl- 2,4- dioxo- N- (2,2,2- trifluoroethyl)- 3- oxabicyclo[3.2.1]octane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)OC1=O)C)NCC(F)(F)F

STL553101
Synonyms: (3E)- 3- (hydroxyimino)- 4,7,7- trimethylbicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: O/N=C/1\CC2(C(C1(C)CC2)(C)C)C(=O)O

STL553102
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553103
Synonyms: 4- {[4- (2- hydroxyethyl)piperazin- 1- yl]carbonyl}- 1,7,7- trimethylbicyclo[2.2.1]heptan- 2- one
Smiles: OCCN1CCN(CC1)C(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553104
Synonyms: 4,7,7- trimethyl- N,N- bis(2- methylpropyl)- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: CC(CN(C(=O)C12CCC(C2(C)C)(C(=O)C1)C)CC(C)C)C

STL553105
Synonyms: ethyl4- ({[(4R)- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]hept- 1- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CCC(C1)C(C2=C)(C)C

STL553106
Synonyms: 2- iodo- N- {[(1S,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)c1ccccc1I

STL553107
Synonyms:
Smiles: CCC1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2(C3N(C)c3c2cccc3)C1)C

STL553108
Synonyms: N- (2- fluorophenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccccc1F

STL553109
Synonyms: (2R)- 2- hydroxy- 3,3- dimethylbicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C1)C([C@H]2O)(C)C

STL553110
Synonyms: 1- {3- [(5S)- 5- ethyl- 2,5- dimethyl- 3,4,4a,10b- tetrahydro- 2H,5H- pyrano[3,2- c]chromen- 2- yl]prop- 2- yn- 1- yl}- 1- methylpiperidinium
Smiles: CC[C@]1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CC[N+]1(C)CCCCC1

STL553111
Synonyms: 4,7,7- trimethyl- N- (naphthalen- 1- yl)- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1cccc2c1cccc2

STL553112
Synonyms: (2E)- 2- (bromomethylidene)- 3,3- dimethylbicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: Br/C=C\1/C2(CCC(C1(C)C)C2)C(=O)O

STL553113
Synonyms: {2- (4- methylphenyl)- 5- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 1,3- oxazol- 4- yl}(triphenyl)phosphonium
Smiles: Cc1ccc(cc1)c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553114
Synonyms: 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C2(C)C)(C(=O)C1=O)C

STL553115
Synonyms: 1,7,7- trimethyl- 4- [(4- methylpiperazin- 1- yl)carbonyl]bicyclo[2.2.1]heptan- 2- one
Smiles: CN1CCN(CC1)C(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553116
Synonyms: (3S)- 3- bromo- 1,7,7- trimethyl- 4- [(4- methylpiperidin- 1- yl)carbonyl]bicyclo[2.2.1]heptan- 2- one
Smiles: CC1CCN(CC1)C(=O)C12CCC(C2(C)C)(C(=O)[C@H]1Br)C

STL553117
Synonyms: N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}- 1,3- benzodioxole- 5- carboxamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC(=O)c1ccc2c(c1)OCO2

STL553118
Synonyms: N- (4- chlorophenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553119
Synonyms: {2- (4- methoxyphenyl)- 5- [(5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 1,3- oxazol- 4- yl}(triphenyl)phosphonium
Smiles: COc1ccc(cc1)c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553120
Synonyms: (2E)- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}- 3- (thiophen- 2- yl)prop- 2- enamide
Smiles: O=C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)/C=C/c1cccs1

STL553121
Synonyms: 3,3- dimethyl- 2- oxobicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C1)C(C2=O)(C)C

STL553122
Synonyms: 3,3- dimethyl- 2- oxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C1)C(C2=O)(C)C

STL553123
Synonyms: 4,7,7- trimethyl- 3- oxo- N- (2,2,6,6- tetramethylpiperidin- 4- yl)bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)NC1CC(C)(C)NC(C1)(C)C

STL553124
Synonyms: methyl2- {[(4,7,7- trimethyl- 3- oxobicyclo[2.2.1]hept- 1- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553125
Synonyms: 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C1)C(C2=C)(C)C

STL553126
Synonyms: 4- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]carbonyl}- 1,7,7- trimethylbicyclo[2.2.1]heptan- 2- one
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STL553127
Synonyms: {2- (4- chlorophenyl)- 5- [(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]- 1,3- oxazol- 4- yl}(triphenyl)phosphonium
Smiles: Clc1ccc(cc1)c1oc(c(n1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553128
Synonyms: N- (4- iodophenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Ic1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553129
Synonyms: 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553130
Synonyms: (2S)- 2- bromo- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylicacid
Smiles: OC(=O)C12CCC(C2(C)C)(C(=O)[C@H]1Br)C

STL553131
Synonyms: N- (4- acetylphenyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccc(cc1)C(=O)C

STL553132
Synonyms: N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}- 4- propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553133
Synonyms: (2S)- 2- bromo- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C2(C)C)(C(=O)[C@H]1Br)C

STL553134
Synonyms: (1S,3aS)- 3a,6a- dimethyl- N- (2- methylphenyl)hexahydro- 1H- 1,4- methanocyclopenta[c]furan- 1- carboxamide
Smiles: O=C([C@]12OC[C@@]3(C2(C)CCC3C1)C)Nc1ccccc1C

STL553135
Synonyms: N- (5- chloropyridin- 2- yl)- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Clc1ccc(nc1)NC(=O)C12CCC(C1)C(C2=C)(C)C

STL553136
Synonyms: 4,7,7- trimethyl- 3- oxo- N- (quinolin- 8- yl)bicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1cccc2c1nccc2

STL553137
Synonyms:
Smiles: O=C(C12OC[C@]3([C@]2(C)CCC3C1)C)NCCc1ccccc1

STL553138
Synonyms: 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553139
Synonyms: methyl3- hydroxy- 4,7,7- trimethylbicyclo[2.2.1]heptane- 1- carboxylate
Smiles: COC(=O)C12CCC(C2(C)C)(C(C1)O)C

STL553140
Synonyms: (2S)- 2- bromo- 4,7,7- trimethyl- 3- oxo- N'- phenylbicyclo[2.2.1]heptane- 1- carbohydrazide
Smiles: Br[C@@H]1C(=O)C2(C(C1(CC2)C(=O)NNc1ccccc1)(C)C)C

STL553141
Synonyms: 3,3- dimethyl- 1- (morpholin- 4- ylcarbonyl)bicyclo[2.2.1]heptan- 2- one
Smiles: O=C(C12CCC(C1)C(C2=O)(C)C)N1CCOCC1

STL553142
Synonyms: (2E)- 3- (4- bromophenyl)- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}prop- 2- enamide
Smiles: O=C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)/C=C/c1ccc(cc1)Br

STL553143
Synonyms: (2E)- N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}- 3- phenylprop- 2- enamide
Smiles: O=C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)/C=C/c1ccccc1

STL553144
Synonyms: 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxylate
Smiles: [O-]C(=O)C12CCC(C2(C)C)(C(=O)O1)C

STL553145
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CNCc1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC=C1C

STL553146
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1)C=C1[C@](C2)(C)CCC=C1C

STL553147
Synonyms: 5- (2- hydroxy- 3- phenylpropyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(Cc1ccccc1)O)[N+](CC2)(C)C

STL553148
Synonyms: N,N- dimethyl- 2- (2- methylpropoxy)- 2- oxo- N- (2- {[(4R)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl]oxy}ethyl)ethanaminium
Smiles: CC(COC(=O)C[N+](CCOC1CC2C(C1(C)CC2)(C)C)(C)C)C

STL553149
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1C)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553150
Synonyms: 1- cyano- 5- methyloctahydro- 2H- quinolizinium
Smiles: N#CC1CCC[N+]2(C1CCCC2)C

STL553151
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC3(CC1)OCCO3)C=C1[C@](C2)(C)CCC=C1C

STL553152
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)C=C1[C@](C2)(C)CCC=C1C

STL553153
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)C(F)(F)F)C=C1[C@](C2)(C)CCC=C1C

STL553154
Synonyms:
Smiles: COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553155
Synonyms: 1- {2- [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- oxoethyl}- 1- methylpiperidinium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[N+]1(C)CCCCC1

STL553156
Synonyms: (1R,9aR)- 1- (bromomethyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: BrC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL553157
Synonyms:
Smiles: COC[C@@]12CN(CC)[C@H]3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1OC(=O)CCl)OC

STL553158
Synonyms:
Smiles: COc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553159
Synonyms:
Smiles: CCOC(=O)C1CCCN(C1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)C

STL553160
Synonyms:
Smiles: COC[C@@]12CN(CC)C3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)OC(=O)C)OC(=O)C)[C@H](C[C@H]1OC(=O)C)OC

STL553161
Synonyms: (1R,5S)- 3- {3- [2,4- bis(2- methylbutan- 2- yl)phenoxy]- 2- hydroxypropyl}- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: CCC(c1cc(ccc1OCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O)C(CC)(C)C)(C)C

STL553162
Synonyms: 2- (6- hydroxy- 7- methyl- 2- oxo- 2,7- dihydro- 3H- purin- 3- yl)- N,N- dimethylethanaminium
Smiles: C[NH+](CCn1c(=O)nc(c2c1ncn2C)O)C

STL553163
Synonyms: N- {2- [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- oxoethyl}propan- 2- aminium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH2+]C(C)C

STL553164
Synonyms: (1S,5R)- 3- (3- tert- butoxy- 2- hydroxypropyl)- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COC(C)(C)C

STL553165
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1[C@](C2)(C)CCC[C@]21OC2

STL553166
Synonyms: 6- (benzyloxy)- 1- {4- methoxy- 3- [(3- methyl- 4- nitrophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL553167
Synonyms: (1R,5R)- 3- [2- hydroxy- 3- (2- methyl- 1- oxo- 1,2,3,4- tetrahydro- 9H- beta- carbolin- 9- yl)propyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(Cn1c2C(=O)N(C)CCc2c2c1cccc2)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553168
Synonyms: 6'- iodo- 4'- methyl- 3',4'- dihydro- 1'H- spiro[cyclohexane- 1,2'- quinolinium]
Smiles: Ic1ccc2c(c1)C(C)CC1([NH2+]2)CCCCC1

STL553169
Synonyms: (5alpha,8xi,9xi,14xi)- 3- oxo- 17- {[3- (piperidinium- 1- yl)propanoyl]oxy}androstane
Smiles: O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC2OC(=O)CC[NH+]1CCCCC1)C)C

STL553170
Synonyms: 11- methoxy- 4- methyl- 2- oxo- 1,2,3,5,6,11b- hexahydro[1,3]dioxolo[4,5- g]imidazo[2,1- a]isoquinolin- 4- ium
Smiles: COc1c2OCOc2cc2c1C1NC(=O)C[N+]1(CC2)C

STL553171
Synonyms: (1R,5R)- 3- {2- hydroxy- 3- [(4- hydroxyphenyl)amino]propyl}- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: Oc1ccc(cc1)NCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL553172
Synonyms: 2,3,3- trimethyl- 3,4- dihydroisoquinolinium
Smiles: C[N+]1=Cc2ccccc2CC1(C)C

STL553173
Synonyms: (1S,5R)- 3- [3- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- 2- hydroxypropyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553174
Synonyms: N- {2- [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- oxoethyl}- N- methylpropan- 2- aminium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH+](C(C)C)C

STL553175
Synonyms: (8xi,9xi,14xi,16alpha,17xi)- 16- methyl- 3- {[3- (morpholin- 4- ium- 4- yl)propanoyl]oxy}- 20- oxopregn- 5- ene
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)C)C1)C)CC[NH+]1CCOCC1

STL553176
Synonyms: N- {2- [1- (3,4- diethoxybenzyl)- 6,7- diethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl]- 2- oxoethyl}- 2- methylpropan- 2- aminium
Smiles: CCOc1cc(ccc1OCC)CC1N(CCc2c1cc(OCC)c(c2)OCC)C(=O)C[NH2+]C(C)(C)C

STL553177
Synonyms: (1R,5R)- 3- [3- (2,6- dibromo- 4- methylphenoxy)- 2- hydroxypropyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: Cc1cc(Br)c(c(c1)Br)OCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL553178
Synonyms: 6- methoxy- 1- {4- methoxy- 3- [(4- nitrophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OC

STL553179
Synonyms: (8xi,9xi,14xi,16alpha,17xi)- 16- methyl- 20- oxo- 3- {[3- (piperidinium- 1- yl)propanoyl]oxy}pregn- 5- ene
Smiles: O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)C)C1)C)CC[NH+]1CCCCC1

STL553180
Synonyms: 3- (3- benzyl- 6- hydroxy- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)- N,N- dimethylpropan- 1- aminium
Smiles: C[NH+](CCCn1cnc2c1c(O)nc(=O)n2Cc1ccccc1)C

STL553181
Synonyms: 5- [2- (4- bromophenyl)- 2- hydroxyethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(c1ccc(cc1)Br)O)[N+](CC2)(C)C

STL553182
Synonyms: 2- (6- hydroxy- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)- N,N- dimethylethanaminium
Smiles: Oc1nc(=O)[nH]c2c1n(CC[NH+](C)C)cn2

STL553183
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1C[NH+]1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)C

STL553184
Synonyms: 7- [3- (dimethylammonio)propyl]- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 9- ium
Smiles: Oc1nc(=O)n(c2c1n(CCC[NH+](C)C)c[nH+]2)C

STL553185
Synonyms: (2R)- 1- [(3- {2- [(1S,5S,8aR)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)methyl]- 1,2- dimethylpiperidinium
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[N+]1(C)CCCC[C@H]1C)C

STL553186
Synonyms: 2- (3- benzyl- 6- hydroxy- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)- N,N- dimethylethanaminium
Smiles: C[NH+](CCn1cnc2c1c(O)nc(=O)n2Cc1ccccc1)C

STL553187
Synonyms: 1- {4- methoxy- 3- [(4- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cccc1

STL553188
Synonyms: 2- [(6- chloro- 1,3- benzodioxol- 5- yl)methyl]- 2- methyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: Clc1cc2OCOc2cc1C[N+]1(C)CCc2c(C1)c1ccccc1[nH]2

STL553189
Synonyms: 3- (6- hydroxy- 7- methyl- 2- oxo- 2,7- dihydro- 3H- purin- 3- yl)- N,N- dimethylpropan- 1- aminium
Smiles: C[NH+](CCCn1c(=O)nc(c2c1ncn2C)O)C

STL553190
Synonyms: (1R,5R)- 3- [2- hydroxy- 3- (1H- indol- 1- yl)propyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(Cn1ccc2c1cccc2)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553191
Synonyms: 3- benzyl- 7- [2- (diethylammonio)ethyl]- 6- hydroxy- 2- oxo- 3,7- dihydro- 2H- purin- 9- ium
Smiles: CC[NH+](CCn1c[nH+]c2c1c(O)nc(=O)n2Cc1ccccc1)CC

STL553192
Synonyms: 2- (6- hydroxy- 3- methyl- 2- oxo- 2,3- dihydro- 7H- purin- 7- yl)- N,N- dimethylethanaminium
Smiles: Oc1nc(=O)n(c2c1n(CC[NH+](C)C)cn2)C

STL553193
Synonyms: (1R,5S)- 3- [2- hydroxy- 3- (2,4,6- trimethylphenoxy)propyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: Cc1cc(C)c(c(c1)C)OCC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)O

STL553194
Synonyms: 5- [2- hydroxy- 3- (2- methoxyphenyl)propyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(Cc1ccccc1OC)O)[N+](CC2)(C)C

STL553195
Synonyms: (1S,5S)- 3- [3- (benzyloxy)- 2- hydroxypropyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)COCc1ccccc1

STL553196
Synonyms: 8- (morpholin- 4- yl)- 9- (beta- D- ribofuranosyl)- 9H- purin- 6- ol
Smiles: OCC1O[C@H]([C@@H]([C@@H]1O)O)n1c(nc2c1ncnc2O)N1CCOCC1

STL553197
Synonyms: N,N- diethyl- 2- (6- hydroxy- 7- methyl- 2- oxo- 2,7- dihydro- 3H- purin- 3- yl)ethanaminium
Smiles: CC[NH+](CCn1c(=O)nc(c2c1ncn2C)O)CC

STL553198
Synonyms: 5- [2- (4- chlorophenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)Cl)[N+](CC2)(C)C

STL553199
Synonyms: 5- [(3E)- 4- (4- ethoxyphenyl)- 2- oxobut- 3- en- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: CCOc1ccc(cc1)/C=C/C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553200
Synonyms: (3- {2- [(1S,5S,8aR)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)- N,N- dimethylmethanaminium
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[NH+](C)C)C

STL553201
Synonyms: 2- [(2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- yl)methyl]- 2- methyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: O=c1[nH]c(=O)[nH]c(c1)C[N+]1(C)CCc2c(C1)c1ccccc1[nH]2

STL553202
Synonyms: (1R,5R)- 3- [2- hydroxy- 3- (1,2,3,4- tetrahydro- 9H- carbazol- 9- yl)propyl]- 8- oxo- 1,3,4,5,6,8- hexahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3- ium
Smiles: OC(Cn1c2CCCCc2c2c1cccc2)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553203
Synonyms: 3- carboxy- 1- (4- nitrophenyl)- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: OC(=O)C1Cc2c3ccccc3[nH]c2C([NH2+]1)c1ccc(cc1)[N+](=O)[O-]

STL553204
Synonyms: 6- (benzyloxy)- 1- {3- [(3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL553205
Synonyms: 6- (benzyloxy)- 1- {4- methoxy- 3- [(4- nitrophenoxy)methyl]phenyl}- 2,3,4,9- tetrahydro- 1H- beta- carbolin- 2- ium
Smiles: COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])C1[NH2+]CCc2c1[nH]c1c2cc(cc1)OCc1ccccc1

STL553206
Synonyms: (1S)- N- {4- [(4- methoxy- 1,2,5- thiadiazol- 3- yl)sulfamoyl]phenyl}- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carbothioamide
Smiles: COc1nsnc1NS(=O)(=O)c1ccc(cc1)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553207
Synonyms:
Smiles: O=C1O[C@@]23[C@H](C1C[N+](C)(C)C)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C

STL553208
Synonyms:
Smiles: O=C1O[C@@]23[C@H](C1C[N+]1(C)CCCCC1)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C

STL553209
Synonyms: (8xi,9xi,14xi,17xi)- 14- hydroxy- 16- [(trimethylammonio)acetyl]- 3- {[(trimethylammonio)acetyl]oxy}card- 20(22)- enolide
Smiles: O=C1OCC(=C1)C1C(CC2([C@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)OC(=O)C[N+](C)(C)C)O)C(=O)C[N+](C)(C)C

STL553210
Synonyms: N- {[(1aR,1bR,7R,9aR)- 7,9a- dimethyl- 3- oxodecahydro- 1aH- oxireno[7,8]naphtho[8a,1- b]furan- 4- yl]methyl}- N,N- dimethylpentan- 1- aminium
Smiles: CCCCC[N+](CC1C(=O)O[C@@]23C1CC[C@H](C2CC[C@@]1([C@H]3O1)C)C)(C)C

STL553211
Synonyms: beta- hydroxy- 3- nitro- N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)phenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553212
Synonyms: 1- [(3- {2- [(1S,5S,8aR)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)methyl]pyridinium
Smiles: COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C[n+]1ccccc1)C

STL553213
Synonyms: ethylN- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553214
Synonyms:
Smiles: O=CC1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C/C)/C[N+]2(CC4)C)cccc3OC

STL553215
Synonyms: (1R)- 1- methyl- 2- (pyridin- 3- yl)piperidinium
Smiles: C[N@@H+]1CCCCC1c1cccnc1

STL553216
Synonyms:
Smiles: CC[N+](CC1C(=O)O[C@@]23[C@H]1CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C)(C)C

STL553217
Synonyms:
Smiles: COC[C@@]12CN(CC)C3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2OC(=O)C)OC)OC(=O)C)OC(=O)C)[C@H](C[C@H]1OC(=O)C)OC

STL553218
Synonyms:
Smiles: CCCC[N+](CC1C(=O)O[C@@]23[C@H]1CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)C)(C)C

STL553219
Synonyms: 1- (3,4- dimethoxybenzyl)- 7- methoxy- 2- methyl- 6- (methylamino)isoquinolinium
Smiles: CNc1cc2cc[n+](c(c2cc1OC)Cc1ccc(c(c1)OC)OC)C

STL553220
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- [(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino]propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553221
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553222
Synonyms: trans- 4- ({[(2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)NCC1CC[C@H](CC1)C(=O)O

STL553223
Synonyms: 3- (3- benzyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazol- 8- yl)- 1- azabicyclo[2.2.2]octan- 3- ol
Smiles: OC1(CN2CC[C@H]1CC2)c1ccc2c(c1)c1CCCC3c1n2CCN3Cc1ccccc1

STL553224
Synonyms: 5- hydroxy- N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553225
Synonyms: 4,4'- [(5xi,9xi,13xi,17xi,18xi,19xi)- lup- 20(29)- ene- 3,28- diylbis(oxy)]bis(4- oxobutanoate)
Smiles: O=C(OCC12CCC(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-]

STL553226
Synonyms: trans- 4- ({[3- (4- methyl- 2- oxo- 6,7,8,9- tetrahydro- 2H- [1]benzofuro[3,2- g]chromen- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)NCC1CC[C@H](CC1)C(=O)O

STL553227
Synonyms:
Smiles: CCOC(=O)C[N+]12[C@H](O)C(CC)[C@@H]3C4[C@H]1CC1(C(C2C3)N(C)c2c1cccc2)[C@H]4O

STL553228
Synonyms: N- benzyl(3- {2- [(5S)- 5- (methoxycarbonyl)- 5,8a- dimethyl- 2- methylidenedecahydronaphthalen- 1- yl]ethyl}furan- 2- yl)- N,N- dimethylmethanaminium
Smiles: COC(=O)[C@@]1(C)CCCC2(C1CCC(=C)C2CCc1ccoc1C[N+](Cc1ccccc1)(C)C)C

STL553229
Synonyms: 5- (4- ethoxybenzyl)- 2,2- 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}- 1,3- dioxane- 4,6- dione
Smiles: CCOc1ccc(cc1)CC1(CN2CC3C[C@H](C2)c2n(C3)c(=O)ccc2)C(=O)OC(OC1=O)(C)C

STL553230
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(furan- 2- ylmethyl)amino]- 4- oxobutanoate
Smiles: O=C(NCc1ccco1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553231
Synonyms: dimethyl2- ({[(1R,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}amino)hexanedioate
Smiles: COC(=O)CCCC(C(=O)OC)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553232
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (4- hydroxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1ccc(cc1)O

STL553233
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(thiophen- 2- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccs1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553234
Synonyms: trans- 4- ({[(2,3,4,9- tetramethyl- 7- oxo- 7H- furo[2,3- f]chromen- 8- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NCC1CC[C@H](CC1)C(=O)O

STL553235
Synonyms: trans- 4- ({[(2,4,9- trimethyl- 7- oxo- 3- phenyl- 7H- furo[2,3- f]chromen- 8- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)c1ccccc1)C)NCC1CC[C@H](CC1)C(=O)O

STL553236
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)alanine
Smiles: O=C(NC(C(=O)O)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553237
Synonyms: (1R,9aR)- 1- (hydroxymethyl)- 5- (4- nitrobenzyl)octahydro- 2H- quinolizinium
Smiles: OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)Cc1ccc(cc1)[N+](=O)[O-]

STL553238
Synonyms: trans- 4- ({[(3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCC1CC[C@H](CC1)C(=O)O

STL553239
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (4- fluorophenyl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1ccc(cc1)F

STL553240
Synonyms: N~2~- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)- L- asparagine
Smiles: O=C(N[C@H](C(=O)O)CC(=O)N)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553241
Synonyms: trans- 4- ({[(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C([C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)NCC1CC[C@H](CC1)C(=O)O

STL553242
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (4- methoxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: COc1ccc(cc1)CCNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553243
Synonyms: 6- methyl- 5- oxo- 5,11- dihydroisoindolo[2,1- a]quinazolin- 6- ium
Smiles: C[n+]1c2c3ccccc3Cn2c2c(c1=O)cccc2

STL553244
Synonyms: (8S)- 8,13,13- trimethyl- 9,10- dihydro- 8,11- methanopyrido[3,2- a]phenazine- 11(8H)- carboxylicacid
Smiles: OC(=O)C12CC[C@@](C2(C)C)(c2c1nc1c(n2)ccc2c1cccn2)C

STL553245
Synonyms: (1R,9aR)- 5- (4- chlorobenzyl)- 1- (hydroxymethyl)octahydro- 2H- quinolizinium
Smiles: OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)Cc1ccc(cc1)Cl

STL553246
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(pyridin- 4- ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccncc1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553247
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(2,2- dimethoxyethyl)amino]- 4- oxobutanoate
Smiles: COC(CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)OC

STL553248
Synonyms: trans- 4- ({[3- (2,5- dimethyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C)NCC1CC[C@H](CC1)C(=O)O

STL553249
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(C(C1)C)c1cccc(c1)C)C=C1[C@](C2)(C)CCC=C1C

STL553250
Synonyms: (1R,9aR)- 5- (3,4- dichlorobenzyl)- 1- (hydroxymethyl)octahydro- 2H- quinolizinium
Smiles: OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)Cc1ccc(c(c1)Cl)Cl

STL553251
Synonyms: (1R,9aR)- 5- (2- hydroxyethyl)- 1- (hydroxymethyl)octahydro- 2H- quinolizinium
Smiles: OCC[N+]12CCC[C@H]([C@H]2CCCC1)CO

STL553252
Synonyms:
Smiles: O=C(N[C@@H](C(c1ccccc1)O)C(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553253
Synonyms: 2- hydroxy- 3,3- dimethyl- 4- [(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino]butanoicacid
Smiles: O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553254
Synonyms: trans- 4- ({[(4,11- dimethyl- 2- oxo- 6,7,8,9- tetrahydro- 2H- [1]benzofuro[3,2- g]chromen- 3- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)NCC1CC[C@H](CC1)C(=O)O

STL553255
Synonyms: 1- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)proline
Smiles: O=C(O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)CCC(=O)N1CCCC1C(=O)O

STL553256
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)- L- glutamicacid
Smiles: O=C(N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553257
Synonyms: 5- ethyl- 6- oxo- 6,13- dihydro[1]benzofuro[2',3':5,6]pyrimido[2,1- a]isoindol- 5- ium
Smiles: CC[n+]1c2c3ccccc3Cn2c2c(c1=O)oc1c2cccc1

STL553258
Synonyms: trans- 4- [({N- [(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]- L- valyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CC([C@@H](C(=O)NCC1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)C

STL553259
Synonyms: 9,10- dimethoxy- 2- oxo- 4- phenyl- 1,2,3,4,6,7- hexahydropyrido[2,1- a]isoquinolinium
Smiles: COc1cc2c(cc1OC)CC[N+]1=C2CC(=O)CC1c1ccccc1

STL553260
Synonyms: trans- 4- [({N- [(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]- L- leucyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CC(C[C@@H](C(=O)NCC1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)C

STL553261
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)N1CCCCC1)C=C1[C@](C2)(C)CCC=C1C

STL553262
Synonyms: methylN- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)- L- tryptophanate
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553263
Synonyms: trans- 4- ({[(2,5,9- trimethyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)NCC1CC[C@H](CC1)C(=O)O

STL553264
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553265
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)C=C1[C@](C2)(C)CCC=C1C

STL553266
Synonyms: N~2~- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)glutamine
Smiles: O=C(NC(C(=O)O)CCC(=O)N)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553267
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C1CCCCC1)C=C1[C@](C2)(C)CCC=C1C

STL553268
Synonyms: 5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- yltrans- 4- {[(tert- butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CCC(CC1)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1

STL553269
Synonyms: methylN- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)histidinate
Smiles: COC(=O)C(Cc1cnc[nH]1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553270
Synonyms: 4- {[(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino]methyl}benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553271
Synonyms: (1R,9aR)- 5- ethyl- 1- (hydroxymethyl)octahydro- 2H- quinolizinium
Smiles: OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)CC

STL553272
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)glycine
Smiles: O=C(NCC(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553273
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(2- methoxy- 2- oxo- 1- phenylethyl)amino]- 4- oxobutanoate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553274
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (1H- imidazol- 5- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1cnc[nH]1

STL553275
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553276
Synonyms: 6- [(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino]hexanoicacid
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCCCCC(=O)O

STL553277
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(pyridin- 3- ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553278
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(tetrahydrofuran- 2- ylmethyl)amino]butanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCC1CCCO1

STL553279
Synonyms: trans- 4- ({[(5,9- dimethyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1)NCC1CC[C@H](CC1)C(=O)O

STL553280
Synonyms: trans- 4- ({[(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- (1H- indol- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCC(CC1)CNC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2

STL553281
Synonyms: (2S)- [(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino](phenyl)ethanoicacid
Smiles: O=C(N[C@@H](c1ccccc1)C(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553282
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (1H- indol- 3- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1c[nH]c2c1cccc2

STL553283
Synonyms: (4S,1'S)- N,N'- propane- 1,2- diylbis(4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide)
Smiles: CC(NC(=O)[C@@]12CC[C@](C2(C)C)(C(=O)O1)C)CNC(=O)C12CC[C@@](C2(C)C)(C(=O)O1)C

STL553284
Synonyms: trans- 4- [({1- [(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]- L- prolyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: O=C([C@@H]1CCCN1C(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)NCC1CC[C@H](CC1)C(=O)O

STL553285
Synonyms: (1R,9aR)- 1- (hydroxymethyl)- 5- (prop- 2- en- 1- yl)octahydro- 2H- quinolizinium
Smiles: C=CC[N+]12CCC[C@H]([C@H]2CCCC1)CO

STL553286
Synonyms:
Smiles: CCC([C@@H](C(=O)NCC1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)C

STL553287
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)(O)Cc1ccccc1)C=C1[C@](C2)(C)CCC=C1C

STL553288
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (3,4- dihydroxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1ccc(c(c1)O)O

STL553289
Synonyms:
Smiles: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553290
Synonyms: trans- 4- [({N- [(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]- L- methionyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CSCC[C@@H](C(=O)NCC1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1

STL553291
Synonyms: trans- 4- ({[3- (2,5,9- trimethyl- 7- oxo- 3- phenyl- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)NCC1CC[C@H](CC1)C(=O)O

STL553292
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(pyridin- 2- ylmethyl)amino]butanoate
Smiles: O=C(NCc1ccccn1)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553293
Synonyms: (1R,9aR)- 1- (hydroxymethyl)- 5- [(2E)- 3- phenylprop- 2- en- 1- yl]octahydro- 2H- quinolizinium
Smiles: OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C/C=C/c1ccccc1

STL553294
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(cyclohexylmethyl)amino]- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCC1CCCCC1

STL553295
Synonyms:
Smiles: CCC(=O)OC1[C@@H](OC(CC1N(C)C)C)O[C@H]1[C@H](C)[C@@H](O[C@@H]2CC(OC)[C@@H](C(O2)C)O)[C@@H](C)C(=O)O[C@@H](CC)[C@]([C@H]([C@@H](C(=O)[C@H](C[C@]1(C)O)C)C)O)(C)O

STL553296
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)- L- asparticacid
Smiles: O=C(N[C@H](C(=O)O)CC(=O)O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553297
Synonyms:
Smiles: CN(CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C)Cc1ccccc1

STL553298
Synonyms: 4- hydroxy- 1- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)proline
Smiles: OC1CN(C(C1)C(=O)O)C(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553299
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (cyclohex- 1- en- 1- yl)ethyl]amino}- 4- oxobutanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCC1=CCCCC1

STL553300
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)valine
Smiles: O=C(NC(C(=O)O)C(C)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553301
Synonyms: (1R,9aR)- 5- (2- ethoxy- 2- oxoethyl)- 1- (hydroxymethyl)octahydro- 2H- quinolizinium
Smiles: CCOC(=O)C[N+]12CCCC[C@@H]2[C@@H](CCC1)CO

STL553302
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)- L- leucyl- L- serine
Smiles: OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CC(C)C

STL553303
Synonyms:
Smiles: CC(C[C@@H](C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)C

STL553304
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)leucine
Smiles: CC(CC(C(=O)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)C

STL553305
Synonyms: methyl1- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)prolinate
Smiles: COC(=O)C1CCCN1C(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553306
Synonyms: N- (4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)serine
Smiles: OCC(C(=O)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553307
Synonyms: 6- bromo- 1,2- dimethylbicyclo[3.2.0]hept- 6- ene- 2- carboxylate
Smiles: BrC1=CC2(C1CCC2(C)C(=O)[O-])C

STL553308
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(2- methylpropyl)amino]- 4- oxobutanoate
Smiles: CC(CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)C

STL553309
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)Cl)Cl)C=C1[C@](C2)(C)CCC=C1C

STL553310
Synonyms: trans- 4- [({N~2~- [(2S)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanoyl]- L- asparaginyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: NC(=O)C[C@@H](C(=O)NCC1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1

STL553311
Synonyms: 1- [(4,7,7- trimethyl- 3- oxobicyclo[2.2.1]hept- 1- yl)carbonyl]piperidine- 3- carboxylate
Smiles: [O-]C(=O)C1CCCN(C1)C(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553312
Synonyms: 4- [(4- oxo- 4- {[(5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl]oxy}butanoyl)amino]- 3- phenylbutanoicacid
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCC(c1ccccc1)CC(=O)O

STL553313
Synonyms: 7,8- dihydroxy- 4- methyl- 3- {2- oxo- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethyl}- 2H- chromen- 2- one
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)Cc1c(=O)oc2c(c1C)ccc(c2O)O

STL553314
Synonyms: 3- methoxy- 17,17- dimethyl- 7,8- didehydro- 4,5- epoxymorphinan- 17- ium- 6- ol
Smiles: COc1ccc2c3c1OC1C43CC[N+](C(C2)C4C=CC1O)(C)C

STL553315
Synonyms: 7- hydroxy- 4- methyl- 3- {3- oxo- 3- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]propyl}- 2H- chromen- 2- one
Smiles: Oc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553316
Synonyms: 7- hydroxy- 4- methyl- 3- {2- oxo- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethyl}- 2H- chromen- 2- one
Smiles: Oc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553317
Synonyms: (1R)- 1- [({(2E)- 3- (3,4- dimethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}oxy)methyl]- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1cc(ccc1OC)/C=C(\C(=O)OC[C@@H]1CCC[N+]2(C1CCCC2)C)/NC(=O)c1ccccc1

STL553318
Synonyms: (3aS,6R)- 2- [2- (1H- indol- 3- yl)ethyl]- N- [3- (morpholin- 4- yl)propyl]- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)NCCCN1CCOCC1

STL553319
Synonyms: 5- [2- (1,2- dihydroacenaphthylen- 5- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc3c4c1cccc4CC3)[N+](CC2)(C)C

STL553320
Synonyms: (3aS,6R)- N,2- bis[2- (1H- indol- 3- yl)ethyl]- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)NCCc1c[nH]c2c1cccc2

STL553321
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 4- (1H- pyrazol- 1- yl)butyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CCn1cccn1)[N+](CC2)(C)C

STL553322
Synonyms: (8xi,9xi,14xi,17xi)- 3- hydroxy- 21- (4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium- 5- yl)pregn- 5- en- 20- one
Smiles: COc1c2OCOc2cc2c1C(CC(=O)C1CCC3[C@]1(C)CCC1C3CC=C3[C@]1(C)CCC(C3)O)[N+](CC2)(C)C

STL553323
Synonyms: 5- (3- cyclododecyl- 2- oxopropyl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CC1CCCCCCCCCCC1)[N+](CC2)(C)C

STL553324
Synonyms: 4- methoxy- 5- [3- (2- methoxyphenyl)- 2- oxopropyl]- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)Cc1ccccc1OC)[N+](CC2)(C)C

STL553325
Synonyms: (3aS,6R)- 2- [2- (1H- indol- 3- yl)ethyl]- N- (4- methylphenyl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1ccc(cc1)C

STL553326
Synonyms: (3aS,6R)- 2- (1,3- benzodioxol- 5- yl)- N- (4- methoxyphenyl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1[C@@H]2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2

STL553327
Synonyms: 5- [2- (4- bromophenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(cc1)Br)[N+](CC2)(C)C

STL553328
Synonyms: 5- [2- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)butyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(CCc1ccc(c(c1)OC)O)O)[N+](CC2)(C)C

STL553329
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [2- oxo- 2- (pyridin- 2- yl)ethyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccccn1)[N+](CC2)(C)C

STL553330
Synonyms: (3aS,6R)- 2- (1,3- benzodioxol- 5- yl)- 1- oxo- N- (propan- 2- yl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CC(NC(=O)C1[C@@H]2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)C

STL553331
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (6- methyl- 2- oxohept- 5- en- 1- yl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)CCC=C(C)C)[N+](CC2)(C)C

STL553332
Synonyms: 2- {4,5- dimethoxy- 2- [(E)- 2- (4- methoxyphenyl)ethenyl]phenyl}- N- ethyl- N,N- dimethylethanaminium
Smiles: COc1cc(/C=C/c2ccc(cc2)OC)c(cc1OC)CC[N+](CC)(C)C

STL553333
Synonyms: (3aS,6R)- N- (2- chlorobenzyl)- 2- [2- (1H- indol- 3- yl)ethyl]- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)NCc1ccccc1Cl

STL553334
Synonyms: 5- methyl- 1- {[(1- phenylcyclopentyl)carbonyl]oxy}octahydro- 2H- quinolizinium
Smiles: O=C(C1(CCCC1)c1ccccc1)OC1CCC[N+]2(C1CCCC2)C

STL553335
Synonyms: 5- [2- (2,6- dimethoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1c(OC)cccc1OC)[N+](CC2)(C)C

STL553336
Synonyms: (3aS,6R)- 2- [2- (1H- indol- 3- yl)ethyl]- 1- oxo- N- pentyl- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CCCCCNC(=O)C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2

STL553337
Synonyms: 2- {[5- (methoxycarbonyl)furan- 2- yl]methyl}- 2- methyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indol- 2- ium
Smiles: COC(=O)c1ccc(o1)C[N+]1(C)CCc2c(C1)c1ccccc1[nH]2

STL553338
Synonyms: (3aS,6R)- 2- (1,3- benzodioxol- 5- yl)- 1- oxo- N- (pyridin- 4- ylmethyl)- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: O=C(C1[C@@H]2C=CC3(C1C(=O)N(C3)c1ccc3c(c1)OCO3)O2)NCc1ccncc1

STL553339
Synonyms: 5,7- dihydroxy- 4- methyl- 3- {2- oxo- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethyl}- 2H- chromen- 2- one
Smiles: Oc1cc(O)c2c(c1)oc(=O)c(c2C)CC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553340
Synonyms: 7,8- dimethoxy- 4- methyl- 3- {2- oxo- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethyl}- 2H- chromen- 2- one
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553341
Synonyms: (3aS,6R)- 2- [2- (1H- indol- 3- yl)ethyl]- N- (3- methylbutyl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxamide
Smiles: CC(CCNC(=O)C1C2C=CC3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)C

STL553342
Synonyms: 5- [2- (2,4- dimethoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(OC)ccc1C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553343
Synonyms: N- methyl- N- (2,3,6,7- tetrahydro- 1H,5H,11H- pyrano[2,3- f]pyrido[3,2,1- ij]quinolin- 11- ylidene)methanaminium
Smiles: C[N+](=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3)C

STL553344
Synonyms: 5- [3- (2- carbamoylphenoxy)prop- 1- yn- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccccc1C(=O)N)[N+](CC2)(C)C

STL553345
Synonyms: 5- (3- hydroxyprop- 1- yn- 1- yl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: OCC#CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553346
Synonyms: 5- (3- hydroxy- 3- methylbut- 1- yn- 1- yl)- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CC(O)(C)C)[N+](CC2)(C)C

STL553347
Synonyms: 4- methoxy- 6,6- dimethyl- 5- {3- [(2- oxo- 2H- chromen- 7- yl)oxy]prop- 1- yn- 1- yl}- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc3c(c1)oc(=O)cc3)[N+](CC2)(C)C

STL553348
Synonyms: 5- [3- (4- formyl- 2- methoxyphenoxy)prop- 1- yn- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(C=O)ccc1OCC#CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

STL553349
Synonyms: 5- [3- (4- fluorophenoxy)prop- 1- yn- 1- yl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccc(cc1)F)[N+](CC2)(C)C

STL553350
Synonyms: 4- methoxy- 6,6- dimethyl- 5- (3- phenoxyprop- 1- yn- 1- yl)- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(C#CCOc1ccccc1)[N+](CC2)(C)C

STL553351
Synonyms: 3,5- dimethyl- 6- {3- oxo- 3- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]propyl}- 7H- furo[3,2- g]chromen- 7- one
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C

STL553352
Synonyms: (2R)- 2- [({4- [2- (2- amino- 4- oxo- 4,7- dihydro- 3H- pyrrolo[2,3- d]pyrimidin- 5- yl)ethyl]phenyl}carbonyl)amino]pentanedioate
Smiles: [O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N

STL553353
Synonyms: (2S,3aS,7aS)- 1- [(2S)- 2- {[(1S)- 1- carboxybutyl]amino}propanoyl]octahydro- 1H- indole- 2- carboxylate
Smiles: CCC[C@@H](C(=O)O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])C

STL553354
Synonyms: (1s,5s)- 1- butyl- 5- methyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCCC[C@]12CNC[C@@](C2=O)(CNC1)C

STL553355
Synonyms: 7- ({(2S)- 2- hydroxy- 3- [(3- methylbutyl)amino]propyl}oxy)- 4,8- dimethyl- 2H- chromen- 2- one
Smiles: O[C@H](COc1ccc2c(c1C)oc(=O)cc2C)CNCCC(C)C

STL553356
Synonyms: (1R,7aR)- 1- hydroxy- 7- ({[(2S)- 2- hydroxy- 3- methoxy- 2- (propan- 2- yl)butanoyl]oxy}methyl)- 4- methyl- 2,3,5,7a- tetrahydro- 1H- pyrrolizinium
Smiles: COC([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)C)(C(C)C)O)C

STL553357
Synonyms:
Smiles: C/C=C/1\C[N+]2(C)CC[C@@]34[C@@H]2C[C@@H]1C(=C3N(C)c1c4cccc1)C=O

STL553358
Synonyms: methylN- [(2S)- 2- (1- oxo- 1,3- dihydro- 2H- isoindol- 2- yl)propanoyl]- D- tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N1Cc2c(C1=O)cccc2)C

STL553359
Synonyms:
Smiles: COC(=O)[C@@H]1C[C@@]23CCC[N+]4([C@H]3[C@@]3([C@]1(CC2)N(C(=O)C)c1c3cccc1)CC4)C

STL553360
Synonyms: {5- [(2- methylpropanoyl)amino]- 1H- indol- 3- yl}[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C(C)C)N1CC2(CC1CC(C2)(C)C)C

STL553361
Synonyms: [6- bromo- 1- (carboxymethyl)- 1H- indol- 3- yl][(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]aceticacid
Smiles: OC(=O)Cn1cc(c2c1cc(Br)cc2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O

STL553362
Synonyms: N- [4- (acetylamino)phenyl]- 4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc(cc1)NC(=O)C

STL553363
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 4- oxobutanoate
Smiles: COc1cc(CCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5C3([C@H]([C@H]2C)CC[C@H]5C)OO4)ccc1OC

STL553364
Synonyms: trans- 4- ({[(2,3,5- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)NCC1CC[C@H](CC1)C(=O)O

STL553365
Synonyms: methylN- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}valinate
Smiles: COC(=O)C(C(C)C)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553366
Synonyms: (1S)- N- [1- (4- fluorophenyl)ethyl]- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carbothioamide
Smiles: Fc1ccc(cc1)C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)C

STL553367
Synonyms: ethylN- {[(1S,5S)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}glycinate
Smiles: CCOC(=O)CNC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553368
Synonyms: trans- 4- ({[3- (3,5- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CC[C@H](CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C

STL553369
Synonyms: trans- 4- ({[3- (2,3,5- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CC[C@H](CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STL553370
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(1- phenylethyl)amino]butanoate
Smiles: O=C(NC(c1ccccc1)C)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553371
Synonyms: (1S,5S)- N- (bicyclo[2.2.1]hept- 2- yl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carbothioamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)NC1CC2CC1CC2

STL553372
Synonyms: 8- methoxy- 6- oxo- 6H- benzo[c]chromen- 3- yltrans- 4- ({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Smiles: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OC(=O)C1CC[C@H](CC1)CNC(=O)OCc1ccccc1

STL553373
Synonyms: trans- 4- ({[3- (2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CC[C@H](CC1)C(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C

STL553374
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(2,5- dioxopyrrolidin- 1- yl)oxy]- 4- oxobutanoate
Smiles: O=C(O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)CCC(=O)ON1C(=O)CCC1=O

STL553375
Synonyms: 4,8- dimethyl- 2- oxo- 2H- chromen- 7- yltrans- 4- {[(tert- butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CCC(CC1)C(=O)Oc1ccc2c(c1C)oc(=O)cc2C

STL553376
Synonyms: ethyl1- {[(4R)- 3- (5- oxo- L- prolyl)- 1,3- thiazolidin- 4- yl]carbonyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)[C@@H]1CSCN1C(=O)C1CCC(=O)N1

STL553377
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(4- methoxybenzyl)amino]- 4- oxobutanoate
Smiles: COc1ccc(cc1)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553378
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- oxo- 4- [(2- phenylethyl)amino]butanoate
Smiles: O=C(CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3)NCCc1ccccc1

STL553379
Synonyms: (5aS,6R,8aS,9R,10S,12R,12aR)- 3,6,9- trimethyldecahydro- 3,12- epoxy[1,2]dioxepino[4,3- i]isochromen- 10- yl4- [(4- fluorobenzyl)amino]- 4- oxobutanoate
Smiles: O=C(NCc1ccc(cc1)F)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

STL553380
Synonyms: 7- methoxy- 4- methyl- 3- {2- oxo- 2- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]ethyl}- 2H- chromen- 2- one
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553381
Synonyms: 5- hydroxy- 4- oxo- 2- phenyl- 4H- chromen- 7- yltrans- 4- ({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Smiles: O=C(OCc1ccccc1)NC[C@@H]1CCC(CC1)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1

STL553382
Synonyms: ethylN- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}phenylalaninate
Smiles: CCOC(=O)C(NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1

STL553383
Synonyms: 1,4- dioxo- 3- [(2,3,4- tri- O- acetyl- beta- D- xylopyranosyl)thio]- 1,4- dihydronaphthalen- 2- yl(2xi)- 2,3,4- tri- O- acetyl- 1- thio- beta- D- threo- pentopyranoside
Smiles: CC(=O)OC1[C@@H](OC[C@H]([C@@H]1OC(=O)C)OC(=O)C)SC1=C(S[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c2c(C1=O)cccc2

STL553384
Synonyms: 3- oxo- 2- phenyl- 5- [(2,3,4,6- tetra- O- acetyl- beta- D- glucopyranosyl)thio]- 2,3- dihydropyridazin- 4- yl2,3,4,6- tetra- O- acetyl- 1- thio- beta- D- glucopyranoside
Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2cnn(c(=O)c2S[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)c2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

STL553385
Synonyms: (1S,5R)- N- (isoquinolin- 6- yl)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocine- 3(4H)- carbothioamide
Smiles: S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Nc1ccc2c(c1)ccnc2

STL553386
Synonyms: 3- hydroxy- 1,6- dimethyl- 2- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}pyridin- 4(1H)- one
Smiles: O=c1cc(C)n(c(c1O)CN1CC2(CC1CC(C2)(C)C)C)C

STL553387
Synonyms:
Smiles: OC1[C@@H](COP(=O)(O)[O-])O[C@](C1O)(O)OP(=O)(O)[O-]

STL553388
Synonyms: 6- (azepan- 1- ylmethyl)- 3- hydroxy- 1- methyl- 2- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}pyridin- 4(1H)- one
Smiles: O=c1cc(CN2CCCCCC2)n(c(c1O)CN1CC2(CC1CC(C2)(C)C)C)C

STL553389
Synonyms: 5- (azepan- 1- ylmethyl)- 2- hydroxy- 3- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}- 4H- pyran- 4- one
Smiles: Oc1occ(c(=O)c1CN1CC2(CC1CC(C2)(C)C)C)CN1CCCCCC1

STL553390
Synonyms: 2- hydroxy- 5- (piperidin- 1- ylmethyl)- 3- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}- 4H- pyran- 4- one
Smiles: Oc1occ(c(=O)c1CN1CC2(CC1CC(C2)(C)C)C)CN1CCCCC1

STL553391
Synonyms: 5- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)- 2- hydroxy- 3- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}- 4H- pyran- 4- one
Smiles: Oc1occ(c(=O)c1CN1CC2(CC1CC(C2)(C)C)C)CN1CCc2c(C1)cccc2

STL553392
Synonyms: (1S,5R)- 3- [(5- hydroxy- 1- methyl- 4- oxo- 6- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}- 1,4- dihydropyridin- 2- yl)methyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CC2(CC1CC(C2)(C)C)C)C

STL553393
Synonyms: 6- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)- 3- hydroxy- 1- methyl- 2- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}pyridin- 4(1H)- one
Smiles: Cn1c(CN2CCc3c(C2)cccc3)cc(=O)c(c1CN1CC2(CC1CC(C2)(C)C)C)O

STL553394
Synonyms: (4aS,5aR,7aR)- 10- ethoxy- 1,1,7a,9,12a- pentamethyl- 2- (beta- D- xylopyranosyloxy)octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1- b]pyran- 13- ylbeta- D- glucopyranoside
Smiles: CCOC1OC2CC3([C@](C2CC1C)(C)CCC12C3C(O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)CC3[C@@]2(C1)CCC(C3(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C

STL553395
Synonyms: 3- [(3,4- dihydro- 1H- isochromen- 1- ylcarbonyl)oxy]- N,N,N- trimethylpropan- 1- aminium
Smiles: O=C(C1OCCc2c1cccc2)OCCC[N+](C)(C)C

STL553396
Synonyms: 1- methyl- 1- (8- oxobicyclo[3.2.1]oct- 2- yl)piperidinium
Smiles: O=C1C2CCC(C1CC2)[N+]1(C)CCCCC1

STL553397
Synonyms:
Smiles: CCCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

STL553398
Synonyms: 2,3- dihydro- 1H- indol- 1- yl[(4R)- 3,3- dimethyl- 2- methylidenebicyclo[2.2.1]hept- 1- yl]methanone
Smiles: O=C(C12CCC(C1)C(C2=C)(C)C)N1CCc2c1cccc2

STL553399
Synonyms: N- (3- methoxypropyl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: COCCCNC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STL553400
Synonyms: 5- {2- [5- (3- hydroxy- 3- methylbut- 1- yn- 1- yl)thiophen- 2- yl]- 2- oxoethyl}- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccc(s1)C#CC(O)(C)C)[N+](CC2)(C)C

STL553401
Synonyms:
Smiles: CCCCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

STL553402
Synonyms: (1R,9aR)- 1- ({[(2- methoxyphenyl)carbonyl]oxy}methyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: COc1ccccc1C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL553403
Synonyms: (1S,9aR)- 5- methyl- 1- {[(2- nitrophenyl)amino]methyl}octahydro- 2H- quinolizinium
Smiles: [O-][N+](=O)c1ccccc1NC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C

STL553404
Synonyms: 2- (6,7- diethyl- 2,3- dihydro- 1,4- benzodioxin- 5- yl)- N,N,N- trimethyl- 2- oxoethanaminium
Smiles: CCc1c(CC)cc2c(c1C(=O)C[N+](C)(C)C)OCCO2

STL553405
Synonyms:
Smiles: CC1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1=C(C)CCC[C@@]1(C2)C

STL553406
Synonyms: 4,11,11- trimethyl- N- phenyl- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C)Nc1ccccc1

STL553407
Synonyms:
Smiles: CC[C@H]1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2([C@H]3N(C)c3c2cccc3)C1)CCC=C(C)C

STL553408
Synonyms:
Smiles: CCCCCCCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

STL553409
Synonyms: 3a,6a- dimethylhexahydro- 1H- 1,4- methanocyclopenta[c]furan- 1- carboxylate
Smiles: [O-]C(=O)C12OCC3(C2(C)CCC3C1)C

STL553410
Synonyms:
Smiles: CCCCCCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

STL553411
Synonyms: 8- (4- bromobutyl)- 3- [(3- hydroxy- 2- phenylpropanoyl)oxy]- 8- methyl- 8- azoniabicyclo[3.2.1]octane
Smiles: BrCCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)CO

STL553412
Synonyms: methyl2- {[(2- bromo- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]hept- 1- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C12CCC(C2(C)C)(C(=O)C1Br)C

STL553413
Synonyms: N- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]carbonothioyl}methionine
Smiles: CSCCC(C(=O)O)NC(=S)N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1

STL553414
Synonyms:
Smiles: CCCCCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C4[C@H]1CC1([C@H](C2C3)N(C)c2c1cccc2)[C@H]4O

STL553415
Synonyms: N- (7- methoxy- 2H- naphtho[1,8- bc]oxepin- 2- ylidene)- N- methylmethanaminium
Smiles: COc1ccc2c3c1cccc3OC(=[N+](C)C)C=C2

STL553416
Synonyms: 4- methoxy- 6,6- dimethyl- 5- [(3E)- 2- oxo- 4- (2,6,6- trimethylcyclohex- 1- en- 1- yl)but- 3- en- 1- yl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/C1=C(C)CCCC1(C)C)[N+](CC2)(C)C

STL553417
Synonyms: 4,11,11- trimethyl- N- (2- methylphenyl)- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxamide
Smiles: Cc1ccccc1NC(=O)C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C

STL553418
Synonyms: 8- butyl- 3- [(3- hydroxy- 2- phenylpropanoyl)oxy]- 8- methyl- 8- azoniabicyclo[3.2.1]octane
Smiles: CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)CO

STL553419
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1=O)C)NCc1ccc2c(c1)OCO2

STL553420
Synonyms: 2- (2,3,4,4a,6,7,8,9,10,10b- decahydro- 1H- benzo[c]chromen- 6- yl)- N,N,N,2- tetramethylpropan- 1- aminium
Smiles: C[N+](CC(C1OC2CCCCC2C2=C1CCCC2)(C)C)(C)C

STL553421
Synonyms: N- (3- methoxyphenyl)- 4,11,11- trimethyl- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxamide
Smiles: COc1cccc(c1)NC(=O)C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C

STL553422
Synonyms: N- (2- methoxyphenyl)- 4,11,11- trimethyl- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxamide
Smiles: COc1ccccc1NC(=O)C12CCC(C2(C)C)(c2c1nc1ccccc1n2)C

STL553423
Synonyms: 7- hydroxy- 4,8- dimethyl- 3- {3- oxo- 3- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]propyl}- 2H- chromen- 2- one
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)CCc1c(=O)oc2c(c1C)ccc(c2C)O

STL553424
Synonyms: 5- [2- (furan- 2- yl)- 2- oxoethyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)c1ccco1)[N+](CC2)(C)C

STL553425
Synonyms: 3,4,4- trimethyl- 3b,4,4a,5- tetrahydro- 2H- cyclopropa[3,4]cyclopenta[1,2- c]pyrazole
Smiles: Cc1[nH]nc2c1C1C(C2)C1(C)C

STL553426
Synonyms: 3- hydroxy- 1- methyl- 6- (piperidin- 1- ylmethyl)- 2- {[(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]methyl}pyridin- 4(1H)- one
Smiles: O=c1cc(CN2CCCCC2)n(c(c1O)CN1CC2(CC1CC(C2)(C)C)C)C

STL553427
Synonyms: cholest- 5- en- 3- yl4- nitrobenzoate
Smiles: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)c1ccc(cc1)[N+](=O)[O-])C)C

STL553428
Synonyms: N- (4- chloro- 3- nitrophenyl)pentopyranosylamine
Smiles: OC1COC(C(C1O)O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

STL553429
Synonyms: (3R,5R)- 3,5- dihydroxy- 7- [(1S,2S,6S,8S,8aR)- 6- hydroxy- 2- methyl- 8- {[(2S)- 2- methylbutanoyl]oxy}- 1,2,6,7,8,8a- hexahydronaphthalen- 1- yl]heptanoate
Smiles: CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C

STL553430
Synonyms: (1S,5R)- 3- [(6- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]methyl}- 5- hydroxy- 4- oxo- 4H- pyran- 2- yl)methyl]- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Oc1c(=O)cc(oc1CN1CCN(CC1)Cc1ccc2c(c1)OCO2)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STL553431
Synonyms: N- (6- {[(1R,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]sulfanyl}pyridin- 3- yl)furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1ccc(nc1)SC[C@@H]1CCCN2[C@@H]1CCCC2

STL553432
Synonyms: 2- (4- nitro- 1H- indol- 1- yl)- 1- [2- (pyridin- 3- yl)piperidin- 1- yl]ethanone
Smiles: O=C(N1CCCCC1c1cccnc1)Cn1ccc2c1cccc2[N+](=O)[O-]

STL553433
Synonyms: 6- acetyl- 5- hydroxy- 4- methyl- 10- (6- nitro- 1,3- benzodioxol- 5- yl)- 9,10- dihydro- 2H,8H- pyrano[2,3- f]chromene- 2,8- dione
Smiles: O=C1CC(c2c(O1)c(C(=O)C)c(c1c2oc(=O)cc1C)O)c1cc2OCOc2cc1[N+](=O)[O-]

STL553434
Synonyms: 3- methyl- 5- (prop- 1- en- 2- yl)- 2,4,5,6- tetrahydrocyclopenta[c]pyrazole
Smiles: CC(=C)C1Cc2c(C1)c([nH]n2)C

STL553435
Synonyms: N- (2- methyl- 4- nitrophenyl)hexofuranosylamine
Smiles: OCC(C1OC(C(C1O)O)Nc1ccc(cc1C)[N+](=O)[O-])O

STL553436
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCSCC1)CC1=C(C)CCC[C@@]1(C2)C

STL553437
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCCC1)C=C1[C@](C2)(C)CCC=C1C

STL553438
Synonyms: (3aS,4S,6aR)- 4- {5- [(6S,6aR,13S,13aS)- 3,4,6,7,8,9,10,12,13,13a- decahydro- 2H- 6,13- methanodipyrido[1,2- a:3',2'- e]azocin- 1(6aH)- yl]- 5- oxopentyl}tetrahydro- 1H- thieno[3,4- d]imidazol- 2(3H)- one
Smiles: O=C1N[C@@H]2[C@H](N1)C(SC2)CCCCC(=O)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31

STL553439
Synonyms: trans- 4- ({[(7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCC1CC[C@H](CC1)C(=O)O

STL553440
Synonyms: trans- 4- ({[3- (7- methoxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NCC1CC[C@H](CC1)C(=O)O

STL553441
Synonyms: {[4- oxo- 3- (pyridin- 2- yl)- 4H- chromen- 7- yl]oxy}acetate
Smiles: [O-]C(=O)COc1ccc2c(c1)occ(c2=O)c1ccccn1

STL553442
Synonyms:
Smiles: C=CC[N+]12[C@@H]3C[C@@]45C(C2C[C@@H](C3C4O)C([C@H]1O)CC)N(C)c1c5cccc1

STL553443
Synonyms: (10R,13S)- 10,13- dimethyl- 17- propanoyl- 2,3,4,7,8,9,10,11,12,13,14,15- dodecahydro- 1H- cyclopenta[a]phenanthren- 3- ylacetate(non- preferredname)
Smiles: CCC(=O)C1=CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STL553444
Synonyms: tert- butylN- [(1- {[(4- methylphenyl)sulfonyl]amino}cyclohexyl)carbonyl]- D- alaninate
Smiles: O=C([C@@H](NC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)C)C)OC(C)(C)C

STL553445
Synonyms:
Smiles: COc1ccc(cc1)CNCC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553446
Synonyms: (8xi,9xi,14xi,16alpha,20Z)- 20- [(acetyloxy)imino]- 16,17- epoxypregn- 5- en- 3- ylbenzoate
Smiles: CC(=O)O/N=C(\C12O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)c1ccccc1)/C

STL553447
Synonyms: N- methyl- N- [(1S,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]- 1- (1H- tetrazol- 1- yl)cyclohexanecarboxamide
Smiles: CN(C(=O)C1(CCCCC1)n1cnnn1)C[C@@H]1CCCN2[C@@H]1CCCC2

STL553448
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=C1C

STL553449
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccc1F)C=C1[C@](C2)(C)CCC=C1C

STL553450
Synonyms: (10'R,13'S,17'S)- 10',13'- dimethyl- 1',4',7',8',9',10',11',12',13',14',15',16'- dodecahydro- 2'H- dispiro[1,3- dioxolane- 2,3'- cyclopenta[a]phenanthrene- 17',2''- oxirane]
Smiles: C[C@]12CCC3(CC1=CCC1C2CC[C@]2(C1CCC12OC1)C)OCCO3

STL553451
Synonyms: N,N,N- trimethyl(5- methylfuran- 2- yl)methanaminium
Smiles: Cc1ccc(o1)C[N+](C)(C)C

STL553452
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 4,7,7- trimethyl- 2,3- dioxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: COc1cc(CCNC(=O)C23CCC(C3(C)C)(C(=O)C2=O)C)ccc1OC

STL553453
Synonyms: 5- (1,3- benzodioxol- 5- yl)- N,N,N- trimethyl- 5- oxopentan- 1- aminium
Smiles: O=C(c1ccc2c(c1)OCO2)CCCC[N+](C)(C)C

STL553454
Synonyms: 2- [(3,4- dihydro- 1H- isochromen- 1- ylcarbonyl)oxy]- N,N,N- trimethylethanaminium
Smiles: O=C(C1OCCc2c1cccc2)OCC[N+](C)(C)C

STL553455
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C=C1[C@](C2)(C)CCC=C1C

STL553456
Synonyms: tert- butylN- ({(2R)- 1- [(4- methylphenyl)sulfonyl]piperidin- 2- yl}carbonyl)- D- alaninate
Smiles: O=C([C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C)C)OC(C)(C)C

STL553457
Synonyms: 5- [({(Z)- [1- (4- fluorophenyl)- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}amino)methyl]- 4- methoxy- 6,6- dimethyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)O)[N+](CC2)(C)C

STL553458
Synonyms: trans- 4- ({[(3,5- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)NCC1CC[C@H](CC1)C(=O)O

STL553459
Synonyms: 2- (2- amino- 2- oxoethyl)- 1- methyl- 3,4- dihydroisoquinolinium
Smiles: NC(=O)C[N+]1=C(C)c2c(CC1)cccc2

STL553460
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cc(Cl)ccc1C)C=C1[C@](C2)(C)CCC=C1C

STL553461
Synonyms: trans- 4- ({[3- (7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2)O)NCC1CC[C@H](CC1)C(=O)O

STL553462
Synonyms:
Smiles: CC[C@H]1[C@H]2CC3[N+]([C@@H]1O)([C@H]1C2[C@H](O)C2([C@H]3N(C)c3c2cccc3)C1)CC1CCCCO1

STL553463
Synonyms: trans- 4- ({[3- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(CCc1c(=O)oc2c(c1C)ccc(c2C)O)NCC1CC[C@H](CC1)C(=O)O

STL553464
Synonyms: N- {(7S)- 1,2,3- trimethoxy- 9- oxo- 10- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]- 5,6,7,9- tetrahydrobenzo[a]heptalen- 7- yl}acetamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N2CC3(CC2CC(C3)(C)C)C)NC(=O)C)cc(c1OC)OC

STL553465
Synonyms:
Smiles: COc1ccccc1N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C

STL553466
Synonyms: (2S,3S)- 3- (4- methoxyphenyl)oxirane- 2- carboxylate
Smiles: COc1ccc(cc1)[C@@H]1O[C@@H]1C(=O)[O-]

STL553467
Synonyms: trans- N- methyl- N- [(1S,9aR)- octahydro- 2H- quinolizin- 1- ylmethyl]- 4- (1H- tetrazol- 1- ylmethyl)cyclohexanecarboxamide
Smiles: O=C(N(C[C@@H]1CCCN2[C@@H]1CCCC2)C)C1CC[C@H](CC1)Cn1cnnn1

STL553468
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)C=C1[C@](C2)(C)CCC=C1C

STL553469
Synonyms: (1R)- 1- (3- hydroxypropyl)- 5- methyloctahydro- 2H- quinolizinium
Smiles: OCCC[C@H]1CCC[N+]2(C1CCCC2)C

STL553470
Synonyms: 4- (ethoxycarbonyl)- 1- ethyl- 6,7- dimethoxy- 3- methyl- 2- (4- methylphenyl)isoquinolinium
Smiles: CCOC(=O)c1c(C)[n+](c2ccc(cc2)C)c(c2c1cc(OC)c(c2)OC)CC

STL553471
Synonyms: 2- (6- aminopyridin- 3- yl)- 1- benzyl- 1- methylpyrrolidinium
Smiles: Nc1ccc(cn1)C1CCC[N+]1(C)Cc1ccccc1

STL553472
Synonyms: trans- 4- ({[3- (7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)propanoyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)NCC1CC[C@H](CC1)C(=O)O

STL553473
Synonyms: 2- (2,3,4,4a,6,6a,7,8,10a,10b- decahydro- 1H- benzo[c]chromen- 6- yl)- N,N,N,2- tetramethylpropan- 1- aminium
Smiles: C[N+](CC(C1OC2CCCCC2C2C1CCC=C2)(C)C)(C)C

STL553474
Synonyms:
Smiles: O=C1O[C@H]2[C@@H](C1CN1CCCC(C1)(C)C)C=C1[C@](C2)(C)CCC=C1C

STL553475
Synonyms:
Smiles: C=CCOC(=O)C1(C)C2[C@@H]1C1OC2C=C1

STL553476
Synonyms: (1S,5S)- 3- [3- (1- methyl- 1H- indol- 3- yl)propanoyl]- 9- nitro- 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)c(cc1)[N+](=O)[O-])CCc1cn(c2c1cccc2)C

STL553477
Synonyms: [1- ({[(7S)- 7- (acetylamino)- 1,2,3- trimethoxy- 9- oxo- 5,6,7,9- tetrahydrobenzo[a]heptalen- 10- yl]amino}methyl)cyclohexyl]acetate
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC1(CCCCC1)CC(=O)[O-])NC(=O)C

STL553478
Synonyms: 3- pyridin- 3- yl- D- alanine
Smiles: OC(=O)C(Cc1cccnc1)N

STL553479
Synonyms: (4alpha,19E)- 4- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 12- hydroxy- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc(c(c1)OC)OC

STL553480
Synonyms: (4alpha,19E)- 12- hydroxy- 4- [2- (4- methyl- 3- oxo- 3,4- dihydro- 2H- 1,4- benzoxazin- 6- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2

STL553481
Synonyms: (1S,5S)- 3- {[1- (2- methoxyethyl)- 1H- indol- 6- yl]carbonyl}- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COCCn1ccc2c1cc(cc2)C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553482
Synonyms: (1R,5S)- 3- [(2- hydroxyquinolin- 4- yl)carbonyl]- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Oc1nc2ccccc2c(c1)C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553483
Synonyms: (4alpha,19E)- 12- hydroxy- 4- [2- oxo- 2- (3- oxo- 3,4- dihydro- 2H- 1,4- benzoxazin- 6- yl)ethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc2c(c1)NC(=O)CO2

STL553484
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- 2- [2- carboxy- 1- (3,4- dimethoxyphenyl)ethyl]- 3- hydroxy- 4,5- dimethyl- 1H- imidazol- 3- ium
Smiles: COc1ccc(cc1OC)C(c1[n+](O)c(c(n1Cc1ccc2c(c1)OCO2)C)C)CC(=O)O

STL553485
Synonyms: (1S,5S)- 3- {[1- (2- methoxyethyl)- 1H- indol- 3- yl]acetyl}- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COCCn1cc(c2c1cccc2)CC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553486
Synonyms: (1S,5S)- 3- [(5- methoxy- 1- methyl- 1H- indol- 3- yl)carbonyl]- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc2c(c1)c(cn2C)C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553487
Synonyms: (1S,5S)- 3- {[1- (2H- indazol- 3- yl)- 5- oxopyrrolidin- 3- yl]carbonyl}- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(C1CC(=O)N(C1)c1[nH]nc2c1cccc2)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553488
Synonyms: 2- [2- carboxy- 1- (6- methoxy- 4- oxo- 4H- chromen- 3- yl)ethyl]- 3- hydroxy- 1,4,5- trimethyl- 1H- imidazol- 3- ium
Smiles: COc1ccc2c(c1)c(=O)c(co2)C(c1[n+](O)c(c(n1C)C)C)CC(=O)O

STL553489
Synonyms: (4alpha,19E)- 4- methyl- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(C)CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O

STL553490
Synonyms: (4alpha,19E)- 12- hydroxy- 4- [2- (4- methoxyphenyl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc(cc1)OC

STL553491
Synonyms: 4- [2- carboxy- 1- (3- hydroxy- 1,4,5- trimethyl- 1H- imidazol- 3- ium- 2- yl)ethyl]pyridinium
Smiles: OC(=O)CC(c1[n+](O)c(c(n1C)C)C)c1cc[nH+]cc1

STL553492
Synonyms: (4alpha,19E)- 4- [2- (1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1c2ccccc2n(c1C)C

STL553493
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- 2- [2- carboxy- 1- (4- hydroxy- 3- methoxyphenyl)ethyl]- 3- hydroxy- 4,5- dimethyl- 1H- imidazol- 3- ium
Smiles: COc1cc(ccc1O)C(c1[n+](O)c(c(n1Cc1ccc2c(c1)OCO2)C)C)CC(=O)O

STL553494
Synonyms: (4alpha,19E)- 4- [2- (1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]- 12- hydroxy- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1c2ccccc2n(c1C)C

STL553495
Synonyms: 2- [2- carboxy- 1- (4- oxo- 4H- chromen- 3- yl)ethyl]- 3- hydroxy- 1,4,5- trimethyl- 1H- imidazol- 3- ium
Smiles: OC(=O)CC(c1[n+](O)c(c(n1C)C)C)c1coc2c(c1=O)cccc2

STL553496
Synonyms: (2S,6'R)- 7- chloro- 4,6- dimethoxy- 6'- methyl- 4'- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]- 2'H,3H- spiro[1- benzofuran- 2,1'- cyclohex[3]ene]- 2',3- dione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CC2(CC1CC(C2)(C)C)C)Cl

STL553497
Synonyms: (1S,5S)- 9- nitro- 3- {[1- (propan- 2- yl)- 1H- indol- 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(c1cccc2c1ccn2C(C)C)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553498
Synonyms: (4alpha,19E)- 12- hydroxy- 4- [(3- phenyl- 1,2,4- oxadiazol- 5- yl)methyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)Cc1onc(n1)c1ccccc1

STL553499
Synonyms: (1S,5S)- 9- nitro- 3- {[1- (propan- 2- yl)- 1H- indol- 6- yl]carbonyl}- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: O=C(c1ccc2c(c1)n(cc2)C(C)C)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553500
Synonyms: (4alpha,19E)- 4- [2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)OCCO2

STL553501
Synonyms: (5S)- 3- [(6- chloro- 1H- indol- 1- yl)acetyl]- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: Clc1ccc2c(c1)n(cc2)CC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553502
Synonyms: (4alpha,19E)- 4- [2- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- oxoethyl]- 12- hydroxy- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc2c(c1)OCCCO2

STL553503
Synonyms: (4alpha,19E)- 4- [2- (1- acetyl- 2,3- dihydro- 1H- indol- 5- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)CCN2C(=O)C

STL553504
Synonyms: (4alpha,19E)- 4- [2- oxo- 2- (3- oxo- 3,4- dihydro- 2H- 1,4- benzoxazin- 6- yl)ethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)NC(=O)CO2

STL553505
Synonyms: (1S,5S)- 3- {[5- methoxy- 1- (propan- 2- yl)- 1H- indol- 3- yl]carbonyl}- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc2c(c1)c(cn2C(C)C)C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553506
Synonyms: (4alpha,19E)- 4- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc(c(c1)OC)OC

STL553507
Synonyms: N- (5,6- dimethoxy- 2,3- dihydro- 1H- inden- 1- yl)- 5- [(3aS,4S,6aR)- 2- oxohexahydro- 1H- thieno[3,4- d]imidazol- 4- yl]pentanamide
Smiles: COc1cc2C(CCc2cc1OC)NC(=O)CCCCC1SC[C@H]2[C@@H]1NC(=O)N2

STL553508
Synonyms: 2- [2- carboxy- 1- (4- hydroxy- 3,5- dimethoxyphenyl)ethyl]- 3- hydroxy- 1,4,5- trimethyl- 1H- imidazol- 3- ium
Smiles: COc1cc(cc(c1O)OC)C(c1[n+](O)c(c(n1C)C)C)CC(=O)O

STL553509
Synonyms: (4alpha,19E)- 12- hydroxy- 4- [2- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

STL553510
Synonyms: (4alpha,19E)- 4- [2- (4- methoxyphenyl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc(cc1)OC

STL553511
Synonyms: (4alpha,19E)- 4- [2- (5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

STL553512
Synonyms: 2- [2- carboxy- 1- (2- hydroxyquinolin- 3- yl)ethyl]- 3- hydroxy- 1,4,5- trimethyl- 1H- imidazol- 3- ium
Smiles: OC(=O)CC(c1[n+](O)c(c(n1C)C)C)c1cc2ccccc2nc1O

STL553513
Synonyms: (1S,5S)- 3- {[1- (2- methoxyethyl)- 1H- indol- 4- yl]carbonyl}- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COCCn1ccc2c1cccc2C(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553514
Synonyms: (1R,5S)- 9- nitro- 3- {[1- (propan- 2- yl)- 1H- indol- 3- 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]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])Cc1cn(c2c1cccc2)C(C)C

STL553515
Synonyms: (4alpha,19E)- 4- (4- bromobenzyl)- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)Cc1ccc(cc1)Br

STL553516
Synonyms: (1S,5R)- 9- nitro- 3- {4- [1- (propan- 2- yl)- 1H- indol- 3- yl]butanoyl}- 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)c(cc1)[N+](=O)[O-])CCCc1cn(c2c1cccc2)C(C)C

STL553517
Synonyms: (4alpha,19E)- 4- [2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- oxoethyl]- 12- hydroxy- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1O)C=O)CC(=O)c1ccc2c(c1)OCCO2

STL553518
Synonyms: 4- {[(4alpha,19E)- 17- oxo- 2,16- didehydrocur- 19- en- 4- ium- 4- yl]methyl}benzonitrile
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)Cc1ccc(cc1)C#N

STL553519
Synonyms: ethyl(5a'R,11'S)- 1'- (2- hydroxyphenyl)- 4'- (4- methoxyphenyl)- 8',8'- dimethyl- 2',3',4,10'- tetraoxo- 2',3',7',8'- tetrahydro- 1'H- spiro[cyclohexa- 2,5- diene- 1,6'- [5]oxa[1,9]diaza[5a,10a]methanodipyrrolo[2,1- b
Smiles: CCOC(=O)[C@H]1C23C(=C(O[C@@]41N(C3=O)C(CC14C=CC(=O)C=C1)(C)C)c1ccc(cc1)OC)C(=O)C(=O)N2c1ccccc1O

STL553520
Synonyms:
Smiles: COC(=O)[C@@H]1C[C@@]23CCC[N+]4([C@@H]3[C@@]3([C@]1(CC2)Nc1c3cccc1)CC4)CC(=O)c1ccc(c(c1)OC)OC

STL553521
Synonyms: (1S,5S)- 3- ({[3- (3,4- dimethoxyphenyl)- 2- oxo- 2H- chromen- 7- yl]oxy}acetyl)- 9- nitro- 1,2,3,4,5,6- hexahydro- 8H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 8- one
Smiles: COc1ccc(cc1OC)c1cc2ccc(cc2oc1=O)OCC(=O)N1C[C@H]2CC(C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

STL553522
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- 2- [2- carboxy- 1- (2,3- dimethoxyphenyl)ethyl]- 3- hydroxy- 4,5- dimethyl- 1H- imidazol- 3- ium
Smiles: COc1cccc(c1OC)C(c1[n+](O)c(c(n1Cc1ccc2c(c1)OCO2)C)C)CC(=O)O

STL553523
Synonyms: (4alpha,19E)- 4- [2- (3,4- dihydro- 2H- 1,5- benzodioxepin- 7- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)OCCCO2

STL553524
Synonyms: (4alpha,19E)- 4- [2- (4- methyl- 3- oxo- 3,4- dihydro- 2H- 1,4- benzoxazin- 6- yl)- 2- oxoethyl]- 2,16- didehydrocur- 19- en- 4- ium- 17- al
Smiles: C/C=C\1/C[N+]2(CC[C@@]34[C@H]2C[C@@H]1C(=C3Nc1c4cccc1)C=O)CC(=O)c1ccc2c(c1)N(C)C(=O)CO2

STL553525
Synonyms: (2S,6'R)- 7- chloro- 2'- hydroxy- 3'- {1- (4- hydroxy- 3- methoxyphenyl)- 3- oxo- 3- [(5R)- 1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl]propyl}- 4,6- dimethoxy- 6'- methyl- 3H,4'H- spiro[1- benzofuran- 2,1'- cyclohex[2]ene]-
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC2(CC1CC(C2)(C)C)C

STL553526
Synonyms: 9- bromo- 6- [2- (3,4- dimethoxyphenyl)- 2- oxoethyl]- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1cc(ccc1OC)C(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2Br)OCO1

STL553527
Synonyms: 9- bromo- 4- methoxy- 6- [2- (4- methoxyphenyl)- 2- oxoethyl]- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)CC(=O)c1ccc(cc1)OC

STL553528
Synonyms: 9- bromo- 4- methoxy- 6- methyl- 6- [(6- methyl- 2- oxo- 2H- chromen- 4- yl)methyl]- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1cc(C)cc2

STL553529
Synonyms: 8,9,11,12- tetramethoxy- 2- [2- (4- methoxyphenyl)- 2- oxoethyl]- 2- methyl- 1,2,3,4- tetrahydronaphtho[2,1- f]isoquinolinium
Smiles: COc1ccc(cc1)C(=O)C[N+]1(C)CCc2c(C1)c(OC)c(c1c2ccc2c1cc(c(c2)OC)OC)OC

STL553530
Synonyms: 9- bromo- 6- [(7- hydroxy- 2- oxo- 2H- chromen- 4- yl)methyl]- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 6- ium
Smiles: COc1c2C[N+](C)(CCc2c(c2c1OCO2)Br)Cc1cc(=O)oc2c1ccc(c2)O

STL553531
Synonyms: (9- bromo- 4- methoxy- 6- methyl- 5,6,7,8- tetrahydro[1,3]dioxolo[4,5- g]isoquinolin- 5- yl)acetate
Smiles: COc1c2C(CC(=O)[O-])N(C)CCc2c(c2c1OCO2)Br

STL553532
Synonyms: 4- ({2- [(3- carboxypropanoyl)oxy]- 1,4a- dimethyl- 6- methylidene- 5- [(E)- 2- (2- oxo- 2,5- dihydrofuran- 3- yl)ethenyl]decahydronaphthalen- 1- yl}methoxy)- 4- oxobutanoate
Smiles: [O-]C(=O)CCC(=O)OCC1(C)C(CCC2(C1CCC(=C)C2/C=C/C1=CCOC1=O)C)OC(=O)CCC(=O)O

STL553533
Synonyms: 6,7- dimethoxy- 2,3,3- trimethyl- 3,4- dihydroisoquinolinium
Smiles: COc1cc2C=[N+](C)C(Cc2cc1OC)(C)C

STL553534
Synonyms: 6,7- dimethoxy- 2- methyl- 3,4- dihydroisoquinolinium
Smiles: COc1cc2C=[N+](C)CCc2cc1OC

STL553535
Synonyms: 4- [(E)- 2- (9H- beta- carbolin- 1- yl)ethenyl]phenylnitrite
Smiles: O=NOc1ccc(cc1)/C=C/c1nccc2c1[nH]c1c2cccc1

STL553536
Synonyms: 1- [(E)- 2- (4- methoxyphenyl)ethenyl]- 9H- beta- carboline
Smiles: COc1ccc(cc1)/C=C/c1nccc2c1[nH]c1c2cccc1

STL553537
Synonyms: 1- [(E)- 2- (3,4- dimethoxyphenyl)ethenyl]- 9H- beta- carboline
Smiles: COc1cc(ccc1OC)/C=C/c1nccc2c1[nH]c1c2cccc1

STL553538
Synonyms: 3- phenylproline
Smiles: OC(=O)C1NCCC1c1ccccc1

STL553539
Synonyms: 4- bromo- 3- chloro- 2- methylaniline
Smiles: Nc1ccc(c(c1C)Cl)Br

STL553540
Synonyms: 4- (piperidin- 1- yl)benzonitrile
Smiles: N#Cc1ccc(cc1)N1CCCCC1

STL553541
Synonyms: 1,3- benzothiazole- 6- sulfonylchloride
Smiles: ClS(=O)(=O)c1ccc2c(c1)scn2

STL553542
Synonyms: 7- (2- hydroxyethoxy)- 4- methyl- 2H- chromen- 2- one
Smiles: OCCOc1ccc2c(c1)oc(=O)cc2C

STL553543
Synonyms: 4- methyl- 7- (2- phenylethoxy)- 2H- chromen- 2- one
Smiles: O=c1cc(C)c2c(o1)cc(cc2)OCCc1ccccc1

STL553544
Synonyms: 3- [(2Z)- 2- (furan- 2- ylmethylidene)hydrazinyl]pyrimido[4,5- e][1,2,4]triazine- 6,8(5H,7H)- dione
Smiles: O=c1[nH]c2nc(N/N=C\c3ccco3)nnc2c(=O)[nH]1

STL553545
Synonyms: 7- [(2- methylprop- 2- en- 1- yl)oxy]- 2,3- dihydrocyclopenta[c]chromen- 4(1H)- one
Smiles: CC(=C)COc1ccc2c(c1)oc(=O)c1c2CCC1

STL553546
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- methoxyphenyl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STL553547
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(3,4- dimethoxyphenyl)methanone
Smiles: COc1cc(ccc1OC)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STL553548
Synonyms: 1- benzyl- 2,3,4,9- tetrahydro- 1H- beta- carboline- 3- carboxylicacid
Smiles: OC(=O)C1NC(Cc2ccccc2)c2c(C1)c1ccccc1[nH]2

STL553549
Synonyms: methyl4- {[1H- indol- 3- yl(oxo)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)C(=O)c1c[nH]c2c1cccc2

STL553550
Synonyms: 1- methyl- N- (3- phenylpropyl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- amine
Smiles: Cn1ncc2c1ncnc2NCCCc1ccccc1

STL553551
Synonyms: N- [2- (1H- indol- 3- yl)ethyl]- 1- methyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- amine
Smiles: Cn1ncc2c1ncnc2NCCc1c[nH]c2c1cccc2

STL553552
Synonyms: 3,4- dimethoxy- N'- (1- methyl- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl)benzohydrazide
Smiles: COc1cc(ccc1OC)C(=O)NNc1ncnc2c1cnn2C

STL553553
Synonyms: 6- methoxy- 9H- purine
Smiles: COc1ncnc2c1nc[nH]2

STL553554
Synonyms: N- (2- methylpropyl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- amine
Smiles: CC(CNc1ncnc2c1cn[nH]2)C

STL553555
Synonyms: 4- aminopyrimidine- 2- thiol
Smiles: Nc1ccnc(n1)S

STL553556
Synonyms: pyrimidin- 4- amine
Smiles: Nc1ccncn1

STL553557
Synonyms: 2,3,7- trimethyl- 1H- indole
Smiles: Cc1[nH]c2c(c1C)cccc2C

STL553558
Synonyms: N,N- dimethyl- N'- (1,3,7- trimethyl- 2,4- dioxo- 1,2,3,4- tetrahydrobenzo[g]pteridin- 8- yl)imidoformamide
Smiles: CN(/C=N/c1cc2nc3n(C)c(=O)n(c(=O)c3nc2cc1C)C)C

STL553559
Synonyms: N- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 3,5- diiodotyrosine
Smiles: CN1C(=O)N(C)C(=O)C(=CNC(C(=O)O)Cc2cc(I)c(c(c2)I)O)C1=O

STL553560
Synonyms: 2- {[(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]amino}- 4- (methylsulfinyl)butanoicacid
Smiles: CS(=O)CCC(C(=O)O)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STL553561
Synonyms: methylN- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STL553562
Synonyms: N- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]threonine
Smiles: CC(C(C(=O)O)NC=C1C(=O)N(C)C(=O)N(C1=O)C)O

STL553563
Synonyms: 5- methoxy- 2'- (4- methoxyphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(OC)cc2

STL553564
Synonyms: 5- methoxy- 2'- (4- methylphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)C

STL553565
Synonyms: 2'- (3- methylphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2

STL553566
Synonyms: 5- methoxy- 2'- phenyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1

STL553567
Synonyms: 5- bromo- 2'- phenyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Brc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1

STL553568
Synonyms: 5- bromo- 2'- (4- methylphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(Br)cc2

STL553569
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 5- bromo- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Brc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STL553570
Synonyms: 2'- (3,5- dimethylphenyl)- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)cc(c1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2

STL553571
Synonyms: ethyl4- (5- methyl- 1',2,3'- trioxo- 1,1',2,3',3a',6',7',8',8a',8b'- decahydro- 2'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizin]- 2'- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2

STL553572
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STL553573
Synonyms: 5- ethyl- 2'- (4- methoxyphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)OC

STL553574
Synonyms: ethyl4- (5- ethyl- 1',2,3'- trioxo- 1,1',2,3',3a',6',7',8',8a',8b'- decahydro- 2'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizin]- 2'- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(CC)cc2

STL553575
Synonyms: 5,7- dimethyl- 2'- (4- methylphenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2C

STL553576
Synonyms: 5,7- dimethyl- 2'- phenyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccccc1

STL553577
Synonyms: 2'- (3,4- dimethylphenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C

STL553578
Synonyms: ethyl4- (5,7- dimethyl- 1',2,3'- trioxo- 1,1',2,3',3a',6',7',8',8a',8b'- decahydro- 2'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizin]- 2'- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2C

STL553579
Synonyms: 2'- (4- methoxyphenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2C

STL553580
Synonyms: 2'- (3- bromophenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Brc1cccc(c1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2C

STL553581
Synonyms: 2'- (1,3- benzodioxol- 5- yl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STL553582
Synonyms: 2'- (3,4- dimethylphenyl)- 5- methoxy- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)C)C

STL553583
Synonyms: N- [2- (4- methoxyphenyl)ethyl]- 2- (4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: COc1ccc(cc1)CCNC(=O)Cn1cnc2c(c1=O)cccc2

STL553584
Synonyms: N'- [3,4,5- trihydroxy- 6- (hydroxymethyl)tetrahydro- 2H- pyran- 2- yl]benzohydrazide(non- preferredname)
Smiles: OCC1OC(NNC(=O)c2ccccc2)C(C(C1O)O)O

STL553585
Synonyms: (2E)- 2- [1- (3- ethyl- 5,5,8,8- tetramethyl- 5,6,7,8- tetrahydronaphthalen- 2- yl)ethylidene]hydrazinecarboxamide
Smiles: CCc1cc2c(cc1/C(=N/NC(=O)N)/C)C(C)(C)CCC2(C)C

STL553586
Synonyms: 3,5,5- trimethyl- 8- methylidene- 1,2,4,5,6,7,8,8a- octahydroazulen- 6- yl3,5- dinitrobenzoate
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC1CC(=C)C2C(=C(CC2)C)CC1(C)C

STL553587
Synonyms: N- (4- phenylbutan- 2- yl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CC(NC(=O)C1NCc2c(C1)cccc2)CCc1ccccc1

STL553588
Synonyms: 2- {[(2- {[(4- methoxyphenyl)carbonyl]amino}phenyl)carbonyl]amino}butanoicacid
Smiles: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)CC

STL553589
Synonyms: N- [(2- {[(4- methoxyphenyl)carbonyl]amino}phenyl)carbonyl]valine
Smiles: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(C)C

STL553590
Synonyms: methyl2- ({N- [(2- {[(4- methoxyphenyl)carbonyl]amino}phenyl)carbonyl]valyl}amino)benzoate
Smiles: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)Nc1ccccc1C(=O)OC)C(C)C

STL553591
Synonyms: N- [(2- {[(4- methoxyphenyl)carbonyl]amino}phenyl)carbonyl]- beta- alanine
Smiles: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCC(=O)O

STL553592
Synonyms: N- ({2- [(phenylcarbonyl)amino]phenyl}carbonyl)isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)c1ccccc1NC(=O)c1ccccc1)C

STL553593
Synonyms: N- ({2- [(phenylcarbonyl)amino]phenyl}carbonyl)methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1ccccc1NC(=O)c1ccccc1

STL553594
Synonyms: N- ({2- [(phenylcarbonyl)amino]phenyl}carbonyl)tyrosine
Smiles: OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)Cc1ccc(cc1)O

STL553595
Synonyms: 2- [({2- [(phenylcarbonyl)amino]phenyl}carbonyl)amino]benzoicacid
Smiles: O=C(c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1C(=O)O

STL553596
Synonyms: N- ({2- [(furan- 2- ylcarbonyl)amino]phenyl}carbonyl)tyrosine
Smiles: OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccco1)Cc1ccc(cc1)O

STL553597
Synonyms: 2- (4- methoxyphenyl)- 4H- 1,3- benzoxazin- 4- one
Smiles: COc1ccc(cc1)c1nc(=O)c2c(o1)cccc2

STL553598
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 2- methylquinazolin- 4(3H)- one
Smiles: COc1cc(ccc1OC)CCn1c(C)nc2c(c1=O)cccc2

STL553599
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 2- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: COc1cc(ccc1OC)CCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)C

STL553600
Synonyms: (3,4- dimethoxyphenyl)(1,3,3- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)methanone
Smiles: COc1cc(ccc1OC)C(=O)N1CC2(CC1CC(C2)(C)C)C

STL553601
Synonyms: N- ({2- [(phenylcarbonyl)amino]phenyl}carbonyl)asparticacid
Smiles: OC(=O)CC(C(=O)O)NC(=O)c1ccccc1NC(=O)c1ccccc1

STL553602
Synonyms: methyl2- (2- methyl- 4- oxoquinazolin- 3(4H)- yl)benzoate
Smiles: COC(=O)c1ccccc1n1c(C)nc2c(c1=O)cccc2

STL553603
Synonyms: (2E)- 1- (4- hydroxyphenyl)- 3- (4- methoxyphenyl)prop- 2- en- 1- one
Smiles: COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O

STL553604
Synonyms: 2- hydroxy- N- [(2E)- 3- (3,4,5- trimethoxyphenyl)prop- 2- enoyl]benzamide
Smiles: COc1cc(/C=C/C(=O)NC(=O)c2ccccc2O)cc(c1OC)OC

STL553605
Synonyms: 4- [6,7- dimethoxy- 1- (4- methoxyphenyl)- 3- oxo- 3,4- dihydroisoquinolin- 2(1H)- yl]benzoicacid
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)C(=O)O)C(=O)Cc2c1cc(OC)c(c2)OC

STL553606
Synonyms: 3,4- dimethoxy- N- (2- oxo- 2H- chromen- 3- yl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1cc2ccccc2oc1=O

STL553607
Synonyms: N- (6- chloro- 2- oxo- 2H- chromen- 3- yl)- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc2cc(Cl)ccc2oc1=O

STL553608
Synonyms: N- (2- methoxyphenyl)- 5- oxo- 1- (2- phenylethyl)pyrrolidine- 3- carboxamide
Smiles: COc1ccccc1NC(=O)C1CC(=O)N(C1)CCc1ccccc1

STL553609
Synonyms: 2- hydroxy- 6- methoxyquinoline- 3- carbaldehyde
Smiles: COc1ccc2c(c1)cc(c(n2)O)C=O

STL553610
Synonyms: 2,2,7,7- tetramethyl- N'- [(E)- phenylmethylidene]tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carbohydrazide(non- preferredname)
Smiles: O=C(C1OC2OC(OC2C2C1OC(O2)(C)C)(C)C)N/N=C/c1ccccc1

STL553611
Synonyms: N'- [(E)- (2- fluorophenyl)methylidene]- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carbohydrazide(non- preferredname)
Smiles: O=C(C1OC2OC(OC2C2C1OC(O2)(C)C)(C)C)N/N=C/c1ccccc1F

STL553612
Synonyms: N'- {(Z)- [4- (dimethylamino)phenyl]methylidene}tetrahydro- 3a'H- dispiro[cyclohexane- 1,2'- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 7',1''- cyclohexane]- 5'- carbohydrazide(non- preferredname)
Smiles: O=C(C1OC2OC3(OC2C2C1OC1(O2)CCCCC1)CCCCC3)N/N=C\c1ccc(cc1)N(C)C

STL553613
Synonyms: N'- [(E)- (3- nitrophenyl)methylidene]tetrahydro- 3a'H- dispiro[cyclohexane- 1,2'- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 7',1''- cyclohexane]- 5'- carbohydrazide(non- preferredname)
Smiles: O=C(C1OC2OC3(OC2C2C1OC1(O2)CCCCC1)CCCCC3)N/N=C/c1cccc(c1)[N+](=O)[O-]

STL553614
Synonyms: (3aR,5S,5aR,8aS,8bR)- 2,2,7,7- tetramethyl- N- (4- nitrophenyl)tetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Nc1ccc(cc1)[N+](=O)[O-]

STL553615
Synonyms: phenyl(3aR,5S,5aR,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxylate(non- preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Oc1ccccc1

STL553616
Synonyms: 2- (methoxycarbonyl)phenyl(3aR,5S,5aR,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxylate(non- preferredname)
Smiles: COC(=O)c1ccccc1OC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C

STL553617
Synonyms: 1,4,7- trimethyl- 1,4,6,7- tetrahydroimidazo[4,5- e][1,4]diazepine- 5,8- dione
Smiles: CN1CC(=O)N(c2c(C1=O)n(C)cn2)C

STL553618
Synonyms: S- (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)dodecanethioate(non- preferredname)
Smiles: CCCCCCCCCCCC(=O)SC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553619
Synonyms: S- (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)nonanethioate(non- preferredname)
Smiles: CCCCCCCCC(=O)SC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553620
Synonyms: 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- yloctylcarbonate(non- preferredname)
Smiles: CCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553621
Synonyms: 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- ylnonylcarbonate(non- preferredname)
Smiles: CCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553622
Synonyms: decyl10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- ylcarbonate(non- preferredname)
Smiles: CCCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553623
Synonyms: 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- ylhexadecylcarbonate(non- preferredname)
Smiles: CCCCCCCCCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553624
Synonyms: (2E)- 1- (6- bromo- 2- methyl- 4- phenylquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2c(C)nc3c(c2c2ccccc2)cc(cc3)Br)ccc1OC

STL553625
Synonyms: (2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl)methyloctadecanoate(non- preferredname)
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC1OC2OC(OC2C2C1OC(O2)(C)C)(C)C

STL553626
Synonyms: (2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- yl)methyldocosanoate(non- preferredname)
Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1OC2OC(OC2C2C1OC(O2)(C)C)(C)C

STL553627
Synonyms: 2,2,7,7- tetramethyl- N- octyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: CCCCCCCCNC(=O)C1OC2OC(OC2C2C1OC(O2)(C)C)(C)C

STL553628
Synonyms: N- dodecyl- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxamide(non- preferredname)
Smiles: CCCCCCCCCCCCNC(=O)C1OC2OC(OC2C2C1OC(O2)(C)C)(C)C

STL553629
Synonyms: 5'- (1,4- dioxaspiro[4.5]dec- 2- yl)- 6'- methoxytetrahydrospiro[cyclohexane- 1,2'- furo[2,3- d][1,3]dioxole](non- preferredname)
Smiles: COC1C(OC2C1OC1(O2)CCCCC1)C1COC2(O1)CCCCC2

STL553630
Synonyms: tetrahydro- 3a'H- dispiro[cyclohexane- 1,2'- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 7',1''- cyclohexan]- 5'- ylmethylbenzoate(non- preferredname)
Smiles: O=C(c1ccccc1)OCC1OC2OC3(OC2C2C1OC1(O2)CCCCC1)CCCCC3

STL553631
Synonyms: 2,4,6- tribromophenyl(3aR,5S,5aR,8aS,8bR)- 2,2,7,7- tetramethyltetrahydro- 3aH- bis[1,3]dioxolo[4,5- b:4',5'- d]pyran- 5- carboxylate(non- preferredname)
Smiles: O=C([C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)Oc1c(Br)cc(cc1Br)Br

STL553632
Synonyms: 3- {[(6- methoxy- 2- oxo- 2H- chromen- 3- yl)carbonyl]amino}benzoicacid
Smiles: COc1ccc2c(c1)cc(c(=O)o2)C(=O)Nc1cccc(c1)C(=O)O

STL553633
Synonyms: 6- methoxy- 2- oxo- 2H- chromene- 3- carboxylicacid
Smiles: COc1ccc2c(c1)cc(c(=O)o2)C(=O)O

STL553634
Synonyms: 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- ylphenylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccccc1

STL553635
Synonyms: 4- chlorophenyl10,13- dimethyl- 17- octyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17- tetradecahydro- 1H- cyclopenta[a]phenanthren- 3- ylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccc(cc1)Cl

STL553636
Synonyms: 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- fluorophenylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccccc1F

STL553637
Synonyms: 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- methylphenylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccccc1C

STL553638
Synonyms: 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- yl4- nitrophenylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccc(cc1)[N+](=O)[O-]

STL553639
Synonyms: 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- ylcyclopentanecarboxylate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C1CCCC1

STL553640
Synonyms: 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- yl3- cyclohexylpropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC1CCCCC1

STL553641
Synonyms: 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- yltricyclo[3.3.1.1~3,7~]decane- 1- carboxylate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C12CC3CC(C2)CC(C1)C3

STL553642
Synonyms: S- (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)cyclohexanecarbothioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)C1CCCCC1

STL553643
Synonyms: S- (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)cyclohexylethanethioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)CC1CCCCC1

STL553644
Synonyms: S- (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)O- hexylcarbonothioate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)SC(=O)OCCCCCC

STL553645
Synonyms: 5,6- dibromo- 10,13- dimethyl- 17- octylhexadecahydro- 1H- cyclopenta[a]phenanthren- 3- ylheptanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)OC(=O)CCCCCC)Br)Br

STL553646
Synonyms: 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- ylacetate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C

STL553647
Synonyms: 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- ylpropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CC

STL553648
Synonyms: 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- ylbutanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC

STL553649
Synonyms: 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- ylpentanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCCC

STL553650
Synonyms: 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- ylhexanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCCCC

STL553651
Synonyms: 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- ylheptanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCCCCC

STL553652
Synonyms: 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- yloctanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCCCCCC

STL553653
Synonyms: 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- ylnonanoate(non- preferredname)
Smiles: CCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553654
Synonyms: 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- yldecanoate(non- preferredname)
Smiles: CCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553655
Synonyms: 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- ylundecanoate(non- preferredname)
Smiles: CCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553656
Synonyms: 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- yldodecanoate(non- preferredname)
Smiles: CCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553657
Synonyms: 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- yltridecanoate(non- preferredname)
Smiles: CCCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553658
Synonyms: 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- yltetradecanoate(non- preferredname)
Smiles: CCCCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C

STL553659
Synonyms: 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- bromobutanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(CC)Br

STL553660
Synonyms: 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- ylcyclohexylacetate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CC1CCCCC1

STL553661
Synonyms: 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- phenoxypropanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(Oc1ccccc1)C

STL553662
Synonyms: 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- phenoxybutanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C(Oc1ccccc1)CC

STL553663
Synonyms: 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- yl3- methylpentanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CC(CC)C

STL553664
Synonyms: 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- yl3- methylbutylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)OCCC(C)C

STL553665
Synonyms: 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- methylbutylcarbonate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)OCC(CC)C

STL553666
Synonyms: 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(2E)- but- 2- enoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C=C/C

STL553667
Synonyms: 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(2Z)- 2- methylbut- 2- enoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C(=C\C)/C

STL553668
Synonyms: 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(2Z)- 2,3- diphenylprop- 2- enoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)/C(=C\c1ccccc1)/c1ccccc1

STL553669
Synonyms: 5,6- dibromo- 10,13- dimethyl- 17- octylhexadecahydro- 1H- cyclopenta[a]phenanthren- 3- yl3- methylpentanoate(non- preferredname)
Smiles: CCCCCCCCC1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)OC(=O)CC(CC)C)Br)Br

STL553670
Synonyms: (4E)- 4- (1,3- benzodioxol- 5- ylmethylidene)- 2- (3,4,5- trimethoxyphenyl)- 1,3- oxazol- 5(4H)- one
Smiles: COc1cc(cc(c1OC)OC)C1=N/C(=C/c2ccc3c(c2)OCO3)/C(=O)O1

STL553671
Synonyms: (4E)- 4- [4- (dimethylamino)benzylidene]- 2- (3,4,5- trimethoxyphenyl)- 1,3- oxazol- 5(4H)- one
Smiles: COc1cc(cc(c1OC)OC)C1=N/C(=C/c2ccc(cc2)N(C)C)/C(=O)O1

STL553672
Synonyms: methyl2,3,4- tri- O- acetyl- alpha- D- galactopyranoside
Smiles: CO[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C