MonarchInit/C3PO huggingface dataset:
Compound: [(1S)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)S(=O)(=O)C)CC5=CC=C(C=C5)Cl)CO
Compound: (1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-[2-(4-morpholinyl)-1-oxoethyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)NC5=CC(=CC=C5)F)C(=O)CN6CCOCC6)CO
Compound: LSM-38792
SMILES: CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)CC3=CC(=CC=C3)F)C)[C@H](C)CO
Compound: [(2S,3R)-1-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
SMILES: C1CC1C(=O)N2CC3(C2)[C@@H]([C@H](N3CC4=CC=C(C=C4)Cl)CO)C5=CC=CC=C5
Compound: N'-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: LSM-38795
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CN=CN=C4)[C@H](C)CO
Compound: (2S)-2-[(4S,5R)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO
Compound: LSM-38797
SMILES: CC=CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)CC4=CN=CC=C4
Compound: N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4
Compound: N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-phenyl-2-azetidinyl]methyl]methanesulfonamide
SMILES: CCN(C[C@H]1[C@@H]([C@H](N1C(=O)COC)CO)C2=CC=CC=C2)S(=O)(=O)C
Compound: 1-[(3S,9R,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 2-cyclopropyl-1-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILES: C1CC1CC(=O)N2CC3(C2)[C@H]([C@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5
Compound: (3aR,4S,9bS)-4-(hydroxymethyl)-N-(2-methoxyphenyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
SMILES: CN1[C@@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5OC)CO
Compound: [(1R)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)CC5=NC=CS5)CC6=CC=C(C=C6)Cl)CO
Compound: (2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)F)[C@@H](C)CO
Compound: (1S)-1'-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)CC5=C(C=CC(=C5)F)F)C(=O)NC6=CC=C(C=C6)F)CO
Compound: 4-[[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
Compound: 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@H]1CN(C)CC5=CC=C(C=C5)C(F)(F)F)[C@@H](C)CO
Compound: (5S,8R)-5,8-bis(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
SMILES: C1CC2=CN=NN2COC[C@@H](NC(=O)[C@H]1CC3=CC=CC=C3)CC4=CC=CC=C4
Compound: (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-(1-oxopropyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CCC(=O)N1C[C@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC(C)C
Compound: N-(cyclobutylmethyl)-N-[[(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
SMILES: CC(=O)N(C[C@H]1[C@@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CCCC3)CC4CCC4
Compound: N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=C(C=C4)OC5=CC=CC=C5)O
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC)[C@@H](C)CO
Compound: LSM-38814
SMILES: C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C
Compound: 3-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)CC5CCOCC5
Compound: (6S,7S,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(C1)CC#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)CC5=CC=CC=N5
Compound: 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)CC4CCCCC4
Compound: N-[[(3S,9S,10S)-16-[(4-chlorophenyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: LSM-38819
SMILES: C1CC1CC(=O)N2C[C@@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
Compound: [(2R,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
SMILES: C1COCCC1CN2[C@H]([C@H](C23CN(C3)CC4=NC=CS4)C5=CC=CC=C5)CO
Compound: [(1R)-1'-(cyclopropylmethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5CC5)CC6=CC=CC=C6OC)CO
Compound: [(1R,2aS,8bS)-4-(3-methylphenyl)sulfonyl-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H]3[C@@H]([C@@H](N3CC4CCOCC4)CO)C5=CC=CC=C52
Compound: (6S,7S,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)CC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)C4=CC=CC=N4
Compound: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F
Compound: [(1R,2aS,8bS)-2-[(4-methoxyphenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3CNC4=CC=CC=C4[C@@H]3[C@@H]2CO
Compound: N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
Compound: 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO
Compound: (2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4CC4)[C@@H](C)CO
Compound: [(8R,9R,10R)-9-[4-(2-fluorophenyl)phenyl]-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@@H](CN(C1)CC3=CN=CN=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC=C5F
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5
Compound: 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-phenylethanone
SMILES: C1COCCC1C(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C52
Compound: LSM-38832
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C
Compound: (6S,7R,8R)-7-[4-(4-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1[C@@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C5=CC=C(C=C5)F
Compound: 1-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)CC4CC4
Compound: (1R)-N-cyclopentyl-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)C(=O)NC5CCCC5)CC6CC6)CO
Compound: (6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1[C@@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br
Compound: [(1S)-7-methoxy-9-methyl-1'-(4-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)CN[C@@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO
Compound: (1S)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-methoxy-1-oxoethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
SMILES: COCC(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)NC5=CC=CC=C5F
Compound: [(1S)-7-methoxy-1'-(pyridin-4-ylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)CC5=CC=NC=C5)CC6=NC=CS6)CO
Compound: [(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCOCC6)CO
Compound: 1-[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO
Compound: N-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO
Compound: [(8S,9S,10S)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: COCC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@@H]2CO)CC4=CC=NC=C4
Compound: [(3aS,4S,9bS)-8-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: CN1[C@@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC=C(C=C4)F)S(=O)(=O)C5=CC=C(C=C5)OC)CO
Compound: N-(2-aminophenyl)-4-[[[(3R,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N
Compound: (4S,7R)-4-(phenylmethyl)-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2
Compound: 1-[(1S)-1'-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
SMILES: CC(=O)N1CC2(CN(C2)CC3=CC=CC=C3Cl)C4=C([C@H]1CO)NC5=C4C=CC(=C5)OC
Compound: N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)C4CCCCC4
Compound: (6R,7R,8S)-7-[4-(1-cyclohexenyl)phenyl]-4-[(3-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC(=CC=C5)F
Compound: [(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
SMILES: CN1[C@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)Br)C(=O)C4CCCCC4)CO
Compound: [(3aR,4S,9bR)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-pyridinyl)methanone
SMILES: C1CCC(=CC1)C2=CC3=C(C=C2)N[C@@H]([C@@H]4[C@H]3N(CC4)C(=O)C5=CN=CC=C5)CO
Compound: 1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CN(C)C(=O)NC5=CC=CC=C5
Compound: 1-[(3aS,4R,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
SMILES: COC1=CC=CC(=C1)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@@H]3N(CC4)C(=O)CC5=CC=CC=C5)CO
Compound: 1-[(3R,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4CC4
Compound: 1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
SMILES: COC1=CC=CC(=C1)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@@H]3N(CC4)C(=O)CC5=CC=CC=C5)CO
Compound: (6R,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)C4=CC=CC=N4
Compound: [(1S)-1'-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-pyridin-4-ylmethanone
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5CC5)C(=O)C6=CC=NC=C6)CO
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)CC5=CC=NC=C5)[C@@H](C)CO
Compound: 1-[2-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol
SMILES: C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@H]4CN(CCCCN4[C@@H]3CO)CC5=CN=CN=C5)O
Compound: (2S,3S)-8-(1-cyclohexenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4=CC=CC=C4F)[C@H](C)CO
Compound: N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4CC4
Compound: (6R,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: C1[C@H]2[C@@H]([C@H](N2C(=O)CN1C(=O)NC3=CC=CC=C3F)CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: [(1S)-7-methoxy-9-methyl-1',2-bis-(4-methylphenyl)sulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)CN([C@@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)S(=O)(=O)C6=CC=C(C=C6)C
Compound: (1S,2aR,8bR)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
SMILES: CC(C)NC(=O)N1[C@H]2CN(C3=CC=CC=C3[C@H]2[C@H]1CO)C(=O)C4=CC=C(C=C4)OC
Compound: [(2S,3R)-1-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(3-pyridinyl)methanone
SMILES: C1C2(CN1C(=O)C3=CN=CC=C3)[C@@H]([C@H](N2CC4=CC=C(C=C4)Cl)CO)C5=CC=CC=C5
Compound: 2-fluoro-N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](N[C@H]2CO)CNC(=O)C3=CC=CC=C3F
Compound: LSM-38867
SMILES: C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C
Compound: 1-heptadecanoyl-2,3-dioleoyl-sn-glycerol
SMILES: O([C@H](COC(CCCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC
Compound: 1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO)C)CN(C)C(=O)NC5=CC=C(C=C5)C(F)(F)F
Compound: N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-pyridinecarboxamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@@H](C)CO
Compound: 3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO
Compound: LSM-38872
SMILES: CC=CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@H]2CO)CCC(F)(F)F
Compound: N-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-fluorobenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CC4
Compound: 4-[4-[(6R,7R,8R)-4-(2-cyclopropyl-1-oxoethyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CC5CC5
Compound: [(1S)-7-methoxy-9-methyl-2-methylsulfonyl-1'-(5-pyrimidinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5=CN=CN=C5)S(=O)(=O)C)CO
Compound: [(1R)-2-[(3,5-dimethoxyphenyl)methyl]-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)S(=O)(=O)C5=CC=CC(=C5)F)CC6=CC(=CC(=C6)OC)OC)CO
Compound: (6S,7S,8R)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC=CC=C4OC
Compound: (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5=CC=CC=N5)C(=O)NC6=CC=C(C=C6)F)CO
Compound: LSM-38879
SMILES: C[C@H]1C(=O)N(CC[C@@H]2CC[C@@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C
Compound: (1S)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxo-2-phenylethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)NC5=CC=CC=C5F)C(=O)CC6=CC=CC=C6)CO
Compound: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2CCC3(CC2)CN([C@@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)C(=O)NC6=CC=C(C=C6)F
Compound: N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: [(8S,9S,10S)-9-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@H](CN(C1)CC3CCOCC3)[C@@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5F
Compound: 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
SMILES: CCCN1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)CN5CCOCC5
Compound: (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: COC1=CC=CC(=C1)NC(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5
Compound: (4S,7R)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)C[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2
Compound: [(1S)-1'-(3-fluorophenyl)sulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: CN1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C4=C([C@H]1CO)N(C5=C4C=CC(=C5)OC)C
Compound: (2R)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
Compound: N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: (4S,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: CC(C)C[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2
Compound: (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-N-(4-fluorophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILES: C1CCN2[C@@H](CN(C1)C(=O)NC3=CC=C(C=C3)F)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
Compound: [(1R,2aR,8bR)-2-(benzenesulfonyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
SMILES: C1[C@H]2[C@H]([C@@H](N2S(=O)(=O)C3=CC=CC=C3)CO)C4=CC=CC=C4N1
Compound: 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: N-ethyl-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide
SMILES: CCN(C[C@@H]1[C@H]([C@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)C3CC3
Compound: (6S,7R,8S)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: C1[C@@H]2[C@H]([C@H](N2C(=O)CN1C(=O)NC3=CC=C(C=C3)F)CO)C4=CC=C(C=C4)C5=CC(=CC=C5)F
Compound: N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)propanamide
SMILES: CCC(=O)N(C[C@@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3)CC(C)C
Compound: (6S,7S,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: COCC(=O)N1C[C@@H]2[C@@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C4=CC=NC=C4
Compound: N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO
Compound: atomoxetine
SMILES: CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Compound: 17-(4-hydroxyphenyl)heptadecanoic acid
SMILES: C(CCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)(=O)O
Compound: [(1S,2aS,8bS)-2-(3-pyridinylmethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
SMILES: C1[C@@H]2[C@@H]([C@H](N2CC3=CN=CC=C3)CO)C4=CC=CC=C4N1
Compound: [(3aR,4R,9bR)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: CN1[C@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)C#CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC(=C5)OC)CO
Compound: [(1R)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-(4-oxanyl)methanone
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](NCC34CCN(CC4)C(=O)C5CCOCC5)CO
Compound: (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCC4)CO
Compound: 4-[4-[(2R,3R)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
SMILES: CC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)CO
Compound: (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1[C@@H]2[C@H]([C@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5
Compound: (2S)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)O[C@H]1CN(C)CC3CCCC3)[C@@H](C)CO
Compound: (2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO
Compound: 1-[[(2S,3R)-8-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: [(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
SMILES: C1[C@H]2[C@H]([C@@H](N2CC3=CC4=C(C=C3)OCO4)CO)C5=CC=CC=C5N1S(=O)(=O)C6=CC=C(C=C6)F
Compound: LSM-38913
SMILES: C[C@@H]1C(=O)N(CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C
Compound: LSM-38914
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C
Compound: N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=CC=C4
Compound: (2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)CC3=CC(=CC=C3)F)[C@H](C)CO
Compound: N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: 1-[[(3S,9S,10S)-16-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: [(8R,9S,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: C1CCN2[C@@H](CN(C1)CC3=CC=CC=N3)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)Br
Compound: 1-[(1R)-2-[(3,5-dimethoxyphenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(4-morpholinyl)ethanone
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)C(=O)CN5CCOCC5)CC6=CC(=CC(=C6)OC)OC)CO
Compound: N'-(2-aminophenyl)-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@H]1CN(C)CC4CC4)[C@@H](C)CO
Compound: 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone
SMILES: C1[C@@H]2[C@@H]([C@@H](N2CC3=CN=CC=C3)CO)C4=CC=CC=C4N1C(=O)CC(F)(F)F
Compound: (8S,9S,10R)-N-cyclopentyl-10-(hydroxymethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILES: C1CCC(C1)NC(=O)N2CCCCN3[C@H](C2)[C@@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CN=CC=C5
Compound: [(1S)-2-(benzenesulfonyl)-1'-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: CCS(=O)(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)S(=O)(=O)C5=CC=CC=C5
Compound: N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
SMILES: CN(C[C@@H]1[C@@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CC=C(C=C3)F)C(=O)C4CCC4
Compound: [(1R)-1'-ethylsulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: CCS(=O)(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C
Compound: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F
Compound: LSM-38928
SMILES: CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)CC3=CC=CC=N3)C)[C@@H](C)CO
Compound: LSM-38929
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CN=CN=C4)[C@H](C)CO
Compound: N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: LSM-38931
SMILES: C1CCN2[C@H](CN(C1)CC3=CN=CC=C3)[C@H]([C@H]2CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
Compound: 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO
Compound: LSM-38933
SMILES: CC=CC1=CC=C(C=C1)C2[C@H]3CNC[C@@H]2N3S(=O)(=O)C4=CC=CC(=C4)F
Compound: 4-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
SMILES: CC(C)(C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@@H]2CO)S(=O)(=O)C)O
Compound: 1-[(1R,2aS,8bS)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
SMILES: C1CC1CC(=O)N2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@@H]2CO)C(=O)C5=CC6=C(C=C5)OCO6
Compound: N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
Compound: [(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
SMILES: CN1C[C@H]2[C@H]([C@@H](N2CC3=CC=CC=C3Cl)CO)C4=CC=CC=C41
Compound: 1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)CC5CCCCC5)[C@@H](C)CO
Compound: 4-(dimethylamino)-N-[[(3R,9R,10S)-16-[(4-fluorophenyl)sulfonylamino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: (6R,7R,8S)-8-(hydroxymethyl)-N-(2-methoxyphenyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)NC4=CC=CC=C4OC
Compound: LSM-38941
SMILES: C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C)OC
Compound: (2S)-4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#C[C@H](C)O)O[C@H]1CNC)[C@@H](C)CO
Compound: N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)OC
Compound: 1-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-cyclopentyl-1-ethylurea
SMILES: CCN(C[C@@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C(=O)NC3CCCC3
Compound: 1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC=C4
Compound: N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide
SMILES: CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(CC)C(=O)C3=CC(=CC=C3)F
Compound: 2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyrazinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILES: C1CC1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3C(=O)C4=NC=CN=C4)CO)C5=CC=CC=C5
Compound: (6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4
Compound: (5S,8S)-8-methyl-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
SMILES: C[C@H]1CCC2=CN=NN2COC[C@@H](NC1=O)CC(C)C
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCC4=CC=NC=C4
Compound: 1-cyclopentyl-3-[[(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
SMILES: C1CCC(C1)NC(=O)NC[C@H]2[C@H]([C@@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4
Compound: (1R)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN([C@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)CC6=CC(=CC(=C6)OC)OC
Compound: 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
Compound: LSM-38955
SMILES: C[C@@H]1C(=O)N(CC[C@H]2CC[C@@H]([C@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C
Compound: (6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H]4CN(CC(=O)N4[C@@H]3CO)C(=O)C5=CC=CC=N5
Compound: 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO
Compound: 2-Pyridyl hydroxymethane sulfonic acid
SMILES: OS(=O)(=O)COc1ccccn1
Compound: 4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
SMILES: CC(C)(C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O
Compound: 1-[[(2S,3R)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: [(1S)-7-methoxy-9-methyl-1'-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2CC3(C2)CN[C@@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO
Compound: [(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-cyclohexylmethanone
SMILES: C1CCC(CC1)C(=O)N2[C@@H]3CNC4=CC=CC=C4[C@@H]3[C@@H]2CO
Compound: N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
SMILES: COCC(=O)NC[C@H]1[C@H]([C@@H](N1C(=O)C2CC2)CO)C3=CC=C(C=C3)C4=CCCC4
Compound: N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2CO)CC3=CN=CC=C3)CNC(=O)C4=CC=CC=N4
Compound: N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO
Compound: 1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
Compound: 1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO
Compound: 2-cyclopropyl-1-[(1S)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)CC5CC5)C(=O)C6=CC(=CC=C6)F)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: (1S)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: CCCNC(=O)N1CCC2(CC1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)CC5CC5
Compound: N-[[(3R,9S,10R)-16-benzamido-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4
Compound: (2S,3S)-2-(hydroxymethyl)-3-phenyl-N-propyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILES: CCCNC(=O)N1CC2(C1)[C@H]([C@H](N2CC3=CC=CC=N3)CO)C4=CC=CC=C4
Compound: 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
Compound: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54
Compound: cyclopropyl-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
SMILES: C1CC1C(=O)N2CC3(C2)[C@H]([C@H](N3CC4=NC=CS4)CO)C5=CC=CC=C5
Compound: 4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=CC=C4
Compound: [(3aS,4S,9bS)-1-(2-methylphenyl)sulfonyl-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: CC1=CC=CC=C1S(=O)(=O)N2CC[C@@H]3[C@H]2C4=C(C=CC(=C4)C#CC5=CC=CC=C5)N[C@@H]3CO
Compound: N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F
Compound: (6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4CCCC4
Compound: (1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-N-phenyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)NC5=CC=CC=C5)S(=O)(=O)C)CO
Compound: 2-[(3R,6aR,8S,10aR)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3)O)O[C@@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
Compound: 2-[(3R,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: [(8R,9S,10R)-6-(2-methylphenyl)sulfonyl-9-[4-(5-pyrimidinyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
SMILES: CC1=CC=CC=C1S(=O)(=O)N2CCCCN3[C@@H](C2)[C@@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CN=CN=C5
Compound: (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
Compound: LSM-38985
SMILES: C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C)OC
Compound: 1-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3
Compound: (4R,7S)-4-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
SMILES: COC1=CC=C(C=C1)C[C@@H]2CCN3C=C(COC[C@@H](NC2=O)CC4=CC=CC=C4)N=N3
Compound: LSM-38988
SMILES: C1[C@H]2[C@H]([C@H](N2C(=O)CN1C(=O)C3=NC=CN=C3)CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
Compound: N-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,4-dimethylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)C)[C@H](C)CO
Compound: LSM-38990
SMILES: C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C)OC
Compound: LSM-38991
SMILES: C[C@@H]1C(=O)N(C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C
Compound: 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: (1S)-N1'-(1,3-benzodioxol-5-yl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)NC5=CC6=C(C=C5)OCO6)C(=O)NC7=CC=C(C=C7)F)CO
Compound: (6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)C(=O)CC4=CC=CC=C4
Compound: [(1R)-7-methoxy-1'-(3-pyridinylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
SMILES: COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)CC5=CN=CC=C5)CC6=NC=CS6)CO
Compound: 1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(pyridin-4-ylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone
SMILES: CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5=CC=NC=C5)C(=O)CN6CCOCC6)CO
Compound: N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
SMILES: CCC(=O)N1[C@H]([C@@H]([C@H]1CO)C2=CC=CC=C2)CN(C(C)C)S(=O)(=O)C
Compound: [(3aS,4S,9bS)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]3[C@H]2C4=C(C=CC(=C4)C#CC5=CC=C(C=C5)F)N[C@@H]3CO
Compound: 4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CS3)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: [(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone
SMILES: C1CCC(C1)C(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)Br)N[C@H]3CO