MonarchInit/C3PO huggingface dataset:
Compound: 1-cyclohexyl-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
SMILES: CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H](CCCCO1)C)[C@@H](C)CO)C
Compound: N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
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)OC)[C@@H](C)CO)C)CNC
Compound: N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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)CC4=CC=NC=C4
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[(dimethylamino)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]urea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C
Compound: 1-[(3S,9S,10S)-9-[(dimethylamino)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)C
Compound: 1-[[(3R,9S,10R)-16-(dimethylamino)-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]-3-(4-fluorophenyl)-1-methylurea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F
Compound: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)S(=O)(=O)C
Compound: 4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-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)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[(3R,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(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]methanesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC4=C(C=C3)OCO4
Compound: 4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)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]benzenesulfonamide
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
Compound: N-[(3S,9S,10R)-9-[(dimethylamino)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]benzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C
Compound: N-[[(3R,9S,10R)-16-(dimethylamino)-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-2-phenylacetamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3
Compound: 1-cyclohexyl-3-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@H](C)CO)C
Compound: N-[[(3S,9R,10S)-16-(dimethylamino)-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]-4,4,4-trifluoro-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3
Compound: 4-(dimethylamino)-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-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)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: N-[[(3R,9R,10S)-16-(dimethylamino)-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,4-dimethylbenzenesulfonamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C
Compound: 1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)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)CNC
Compound: (3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CNC
Compound: 4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C
Compound: N-[[(3R,9S,10S)-16-(dimethylamino)-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-methylbenzamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3
Compound: N-[(3S,9S,10S)-9-[[[cyclohexyl(oxo)methyl]-methylamino]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-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)C4CCCCC4
Compound: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C
Compound: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)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)C(=O)NC(C)C
Compound: N-[(3S,9S,10S)-9-[(dimethylamino)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]benzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C
Compound: 4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CNC
Compound: 1-[(3R,9R,10S)-9-[(dimethylamino)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-(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=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10R)-9-[(dimethylamino)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]urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C
Compound: N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
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)C(=O)C3=CC=CC=C3
Compound: N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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)CC4=CC=NC=C4
Compound: 3-cyclohexyl-1-[[(3S,9S,10S)-16-(dimethylamino)-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-methylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3
Compound: 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-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=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CNC
Compound: N-[(3S,9R,10S)-9-[(dimethylamino)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]cyclohexanecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C
Compound: N-[[(3R,9S,10S)-16-(dimethylamino)-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]-N-methylmethanesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C
Compound: N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C
Compound: N-[(3R,9S,10R)-9-[(dimethylamino)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)C
Compound: N-[(3R,9R,10R)-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]-4-methylbenzenesulfonamide
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)C)[C@H](C)CO)C)CN(C)CC4CC4
Compound: N-[[(3S,9S,10R)-16-(dimethylamino)-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]-N-methylbenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3
Compound: N-[(3S,9R,10S)-9-[(dimethylamino)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]-4,4,4-trifluorobutanamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C
Compound: 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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)CC3=CC=C(C=C3)OC
Compound: 4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: N-[(3R,9S,10R)-9-[(dimethylamino)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]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)C
Compound: (3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CNC
Compound: 1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-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=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CNC
Compound: N-[(3R,9R,10R)-9-[[[4-(dimethylamino)-1-oxobutyl]-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]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)C(=O)CCCN(C)C
Compound: N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: 1-[(3R,9S,10S)-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]-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)CC3=CC=CC=C3
Compound: N-[[(3R,9R,10S)-16-(dimethylamino)-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]-N-methyl-2-thiophenesulfonamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CS3
Compound: 4-chloro-N-[[(3S,9R,10S)-16-(dimethylamino)-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]-N-methylbenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: (3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
SMILES: CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H](CCCCO1)C)[C@H](C)CO)C
Compound: N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-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)S(=O)(=O)C
Compound: (3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: rolipram
SMILES: COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Compound: tetrahexadec-9-enoyl cardiolipin
SMILES: O(P(OCC(COP(OC[C@@H](COC(CCCCCCCC=CCCCCCC)=O)OC(CCCCCCCC=CCCCCCC)=O)(O)=O)O)(O)=O)C[C@@H](COC(CCCCCCCC=CCCCCCC)=O)OC(CCCCCCCC=CCCCCCC)=O
Compound: 3-cyclohexyl-1-[[(3R,9R,10S)-16-(dimethylamino)-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-methylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3
Compound: 1-[[(3R,9R,10R)-16-(dimethylamino)-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-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F
Compound: N-(2-furanylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: CC1=C(C2=CC=CC=C2N1)CC3=NN=C(O3)SCC(=O)NCC4=CC=CO4
Compound: N-[[2-(1-piperidinyl)-4-thiophen-2-yl-5-thiazolyl]methylideneamino]carbamic acid methyl ester
SMILES: COC(=O)NN=CC1=C(N=C(S1)N2CCCCC2)C3=CC=CS3
Compound: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N
Compound: 4-methyl-N-[2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)C4=CC=CC=C4)C(F)(F)F
Compound: 4-(1-benzimidazolyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
SMILES: CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4C=NC5=CC=CC=C54
Compound: 3-amino-N-(2-fluorophenyl)-6-(2-furanyl)-2-thieno[2,3-b]pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CO4)N)F
Compound: 6-chloro-N-[(6-chloro-5-imidazo[2,1-b]thiazolyl)-oxomethyl]-N-(5-chloro-2-pyridinyl)-5-imidazo[2,1-b]thiazolecarboxamide
SMILES: C1=CC(=NC=C1Cl)N(C(=O)C2=C(N=C3N2C=CS3)Cl)C(=O)C4=C(N=C5N4C=CS5)Cl
Compound: 1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NCC4=CN=CC=C4
Compound: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3
Compound: 3-[[4-(dimethylamino)phenyl]methylidene]-2-(4-morpholinyl)-N-(3,4,5-trimethoxyphenyl)-1-cyclohexenecarboxamide
SMILES: CN(C)C1=CC=C(C=C1)C=C2CCCC(=C2N3CCOCC3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC
Compound: LSM-16248
SMILES: CCCCN1C(=O)C2CC3=C(CN2C1=S)NC4=CC=CC=C34
Compound: 2-(2,4-dimethylanilino)-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide
SMILES: CC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CC=CS3)C
Compound: 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
SMILES: C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NN
Compound: 1-(2-chloro-4-nitrophenyl)-4-(2-methoxyphenyl)piperazine
SMILES: COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
Compound: 3-methyl-N'-(2-pyrrolylidenemethyl)benzohydrazide
SMILES: CC1=CC=CC(=C1)C(=O)NNC=C2C=CC=N2
Compound: 3-[[[3-[(3-nitrophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O
Compound: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide
SMILES: CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILES: CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3NCCC4=CC(=C(C=C4)OC)OC
Compound: 2,3,4-trimethyl-N-(3-pyridinyl)benzenesulfonamide
SMILES: CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CN=CC=C2)C)C
Compound: 5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CN=CC=C3
Compound: 1-[(4-fluorophenyl)methyl]-3-(2-furanylmethyl)-4-imino-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-one
SMILES: CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC4=CC=C(C=C4)F)CC5=CC=CO5)C
Compound: N-(2-methylphenyl)-1-phenazinecarboxamide
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32
Compound: 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)C3CC3
Compound: 1H-indazol-3-amine
SMILES: C1=CC=C2C(=C1)C(=NN2)N
Compound: N'-(9-acridinyl)-2-hydroxybenzohydrazide
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=CC=CC=C4O
Compound: 2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
SMILES: COCCCNC(=O)CSC1=NC2=CC=CC=C2C3=NC(C(=O)N31)CC(=O)NCC4=CC=CC=C4
Compound: [4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone
SMILES: C1=CC=C(C=C1)N2C(=N)C(=C3N=C4C=CC=CC4=N3)C=C(N2)C(=O)C5=CC=CS5
Compound: 2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine
SMILES: CC1=NN(C(=C1)N)C2=NC3=CC=CC=C3S2
Compound: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
SMILES: C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CO2)COC3=CC=CC=C3F
Compound: acetic acid [2-(1-acetyl-6-indolyl)-2-oxoethyl] ester
SMILES: CC(=O)N1C=CC2=C1C=C(C=C2)C(=O)COC(=O)C
Compound: N-(4-ethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide
SMILES: CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC
Compound: N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F
Compound: N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide
SMILES: CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC4=CC=CC=C4OC3=O
Compound: 2-methyl-1-cyclopropanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
SMILES: CC1CC1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br
Compound: 1-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COC1=CC(=CC(=C1OC)OC)C2C(=CN(C=C2C(=O)OC)CC3=CC=C(C=C3)F)C(=O)OC
Compound: N3-(2-furanylmethylideneamino)-5-methyl-1,2,4-triazole-3,4-diamine
SMILES: CC1=NN=C(N1N)NN=CC2=CC=CO2
Compound: 2-[[6-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid
SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O)Cl)OC
Compound: 2-[[3-acetyl-1-[4-(dimethylamino)phenyl]-2-methyl-5-indolyl]oxy]acetamide
SMILES: CC1=C(C2=C(N1C3=CC=C(C=C3)N(C)C)C=CC(=C2)OCC(=O)N)C(=O)C
Compound: N-[5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)SC2=S
Compound: 4-fluoro-N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzamide
SMILES: C1=CC(=CC=C1C(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F
Compound: 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)OCC(=O)N4CCOCC4
Compound: 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenylethanone
SMILES: C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4
Compound: 2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILES: CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4CCCCC4)CC5=CC=CS5)C
Compound: 2-chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
SMILES: COC1=C(C=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)Cl)OC
Compound: 7-[4-(4-acetamidophenyl)sulfonyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C)F)C(=O)O
Compound: 3-(2-methylphenyl)-2-(2-thiazolyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILES: CC1=CC=CC=C1C2N3CCCC3C(=O)N2C4=NC=CS4
Compound: LSM-16285
SMILES: C1=CC(=CC(=C1)O)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC(=CC=C6)O)C2=O
Compound: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILES: CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)[N+](=O)[O-]
Compound: 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C=CC2=CC(=C(C=C2)OC(F)F)OC)N
Compound: 2-(4-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamide
SMILES: CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)COC4=CC=C(C=C4)C#N
Compound: 5-(1-azepanyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile
SMILES: COC1=C(C=C(C=C1)C2=NC(=C(O2)N3CCCCCC3)C#N)OC
Compound: 2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)COC3=CC=CC=C3C#N
Compound: 1-[(2-phenylmethoxyphenyl)methylideneamino]-5-tetrazolamine
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C=NN3C(=NN=N3)N
Compound: 2-[2-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3
Compound: 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidobenzofuro[3,2-c]pyridin-2-ium
SMILES: CC1=[N+](C(=C2C(=C1)OC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)OC)[O-]
Compound: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)Cl
Compound: 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)urea
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=C(C=C(C=C2)Br)F
Compound: 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide
SMILES: CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=CS3)C(=O)N
Compound: 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
SMILES: CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C
Compound: 4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
SMILES: CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)NC(=O)C
Compound: 1,3-dimethyl-7-(phenylmethyl)-8-[2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=CS3)CC4=CC=CC=C4
Compound: 2-methoxy-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3
Compound: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thiourea
SMILES: COC1=CC=CC=C1NC(=S)NCCSC2=CC=C(C=C2)Cl
Compound: 3-(5-nitro-2-thiophenyl)-1-(1-pyrrolidinyl)-2-propen-1-one
SMILES: C1CCN(C1)C(=O)C=CC2=CC=C(S2)[N+](=O)[O-]
Compound: 5-(4-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILES: CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C
Compound: 3-[(3aR,6aS)-6'-chloro-5-(4-chlorophenyl)-7'-methyl-2',4,6-trioxo-1-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]yl]propanamide
SMILES: CC1=C(C=CC2=C1NC(=O)C23[C@H]4[C@@H](C(N3)CCC(=O)N)C(=O)N(C4=O)C5=CC=C(C=C5)Cl)Cl
Compound: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N
Compound: N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES: C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC4=C(C=C3)OCO4
Compound: 1-(3-chlorophenyl)-3-(phenylmethyl)thiourea
SMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Cl
Compound: N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-2,4-dinitroaniline
SMILES: C1C=CC2C1CC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Compound: N-[(4-fluorophenyl)methyl]-2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzoxazin-4-yl]acetamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCC4=CC=C(C=C4)F
Compound: 9H-xanthene-9-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester
SMILES: CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
Compound: 5-methyl-N-[4-(4-morpholinyl)phenyl]-2-pyrazinecarboxamide
SMILES: CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3
Compound: 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea
SMILES: CCOCCCNC(=S)NCCCNC1=NC2=CC3=C(C=C2C=C1C#N)OCO3
Compound: 2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
SMILES: CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3
Compound: 2-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3
Compound: 4-methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester
SMILES: CC1=C(C=C(C=C1)C(=O)ON=C(CC2=CC=CC=C2OC)N)[N+](=O)[O-]
Compound: N-(2,6-diethylphenyl)-2,3-diphenyl-2-propenamide
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3
Compound: N-(3-isoxazolyl)-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NOC=C3
Compound: N-butyl-4-(phenylmethyl)-1-piperidinecarbothioamide
SMILES: CCCCNC(=S)N1CCC(CC1)CC2=CC=CC=C2
Compound: 6-[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: C1COCCN1C(=O)CSC2=NC(=C3C=CC=CC3=O)NN2
Compound: N-(4-ethoxyphenyl)sulfonyl-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-2-furancarboxamide
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C4=CC=CC=C42)OC(=O)S3)C(=O)C5=CC=CO5
Compound: 3-(prop-2-enylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SMILES: C=CCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1
Compound: 1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)N(N=C3C)CC4=CC=CC=C4Cl
Compound: 3-(2,4-dimethoxyphenyl)-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
SMILES: CCN1CCCC1CN(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=S)NC4=C(C=C(C=C4)OC)OC
Compound: 5-phenyl-3-(2-pyridinyl)-1,2,4-triazine
SMILES: C1=CC=C(C=C1)C2=CN=NC(=N2)C3=CC=CC=N3
Compound: 4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid
SMILES: C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC(=O)O
Compound: 3-methyl-5-[[1-oxo-2-(2-pyridinylmethylamino)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CNCC2=CC=CC=N2
Compound: 1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILES: C1=CSC(=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F
Compound: 1-(4-chlorophenyl)-3-(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)Cl
Compound: 3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3OC)CC4=NN=NN4CC5=CC=CO5
Compound: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrile
SMILES: C1CN(CC2=CC=CC=C21)C3=C(N=C(O3)C4=CC=CO4)C#N
Compound: 1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)thiourea
SMILES: C1=CC(=CC=C1CCNC(=S)NC2=CC=C(C=C2)F)Cl
Compound: 1-(4-morpholinyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
SMILES: C1COCCN1C(=O)CSC2=NN3C(=NN=C3C4=CC=CC=N4)C=C2
Compound: 6-phenyl-5-(1-piperidinyl)-2-prop-2-enyl-3-pyridazinone
SMILES: C=CCN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N3CCCCC3
Compound: 2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione
SMILES: C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Compound: N-(2-furanylmethyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NCC3=CC=CO3
Compound: 5-bromo-N-[(5-nitro-2-thiophenyl)methylideneamino]-3-pyridinecarboxamide
SMILES: C1=C(SC(=C1)[N+](=O)[O-])C=NNC(=O)C2=CC(=CN=C2)Br
Compound: 3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCO)C(=O)NC3=CC(=CC=C3)Cl
Compound: N-carbamoyl-2-[4-oxo-2-[(2-oxo-5H-thiazol-4-yl)hydrazo]-5-thiazolyl]acetamide
SMILES: C1C(=NC(=O)S1)NNC2=NC(=O)C(S2)CC(=O)NC(=O)N
Compound: 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester
SMILES: CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)OC
Compound: 2,4-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILES: COC1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)[N+](=O)[O-])OC
Compound: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3
Compound: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-[2-(2,4-dioxo-3-thiazolidinyl)ethylamino]-2-oxoethyl] ester
SMILES: CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCN3C(=O)CSC3=O
Compound: 1-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methylideneamino]-3-propan-2-ylthiourea
SMILES: CC(C)NC(=S)NN=CC1=CCC2CC1C2(C)C
Compound: 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea
SMILES: CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F
Compound: 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
SMILES: CCOC1=CC(=CC2=C1C(=O)NC3=CC=CC=C3O2)[N+](=O)[O-]
Compound: 1-ethyl-N-(2-fluorophenyl)-4-hydroxy-2-oxo-3-quinolinecarboxamide
SMILES: CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3F)O
Compound: 5-(3-anilinoprop-2-enylidene)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: C=CCN1C(=O)C(=CC=CNC2=CC=CC=C2)C(=O)NC1=O
Compound: LSM-16348
SMILES: CCC[N+]1=CN(C2=CC=CC=C21)C(C(=O)C3=CC(=C(C=C3)OC)OC)C(=S)NC4=C(C(=CC=C4)Cl)C
Compound: 5-[2-(1-cyclohexenyl)ethylsulfamoyl]-3-methyl-2-benzofurancarboxylic acid
SMILES: CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CCCCC3)C(=O)O
Compound: 4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=NOC4=C3CCC5=CC=CC=C54
Compound: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC=CC3=O
Compound: N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
SMILES: CC(=O)NC(C(Cl)(Cl)Cl)SC(=S)N(C)C
Compound: N-(2-methoxy-3-dibenzofuranyl)-2-oxolanecarboxamide
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4CCCO4
Compound: 1-(3-chlorophenyl)-3-[4-[4-morpholinyl(oxo)methyl]phenyl]urea
SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl
Compound: N-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-pyridinecarboxamide
SMILES: CC(=NNC(=O)C1=CC=CC=N1)CC(=O)NC2=CC=C(C=C2)F
Compound: 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone
SMILES: CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5
Compound: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine
SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CCN(CC4)CC5=NC=CN5C
Compound: 4-methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC(=C2C=C(NN2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C=C1
Compound: 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3
Compound: 3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILES: CC1=NN(C2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)CCC3=NNN=N3
Compound: 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid
SMILES: CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=C(OC(=C4)C(=O)O)C
Compound: 4-[[dimethoxyphosphoryl(phenyl)methyl]amino]benzoic acid
SMILES: COP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)OC
Compound: (-)-Nissolin
SMILES: COc1c2O[C@@H]3[C@@H](COc4cc(O)ccc34)c2ccc1O
Compound: 2-(4-methyl-1-piperazinyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CN1CCN(CC1)CC(=O)NC2=NN=C(S2)C3=CC=CS3
Compound: 1-[(2-methylpropylamino)methylidene]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-one
SMILES: CC(C)CNC=C1C2=C(C=C(C1=O)[N+](=O)[O-])OC3=C2CCCC3
Compound: 1-(2-fluorophenyl)-3-(N-(phenylmethyl)anilino)thiourea
SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3F
Compound: N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3
Compound: N-(5-chloro-2-pyridinyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide
SMILES: CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NN=NN2C3=CC=CC=C3
Compound: 6-(2,3-dihydroindol-1-ylmethyl)-3-phenylthiazolo[2,3-c][1,2,4]triazole
SMILES: C1CN(C2=CC=CC=C21)CC3=CN4C(=NN=C4S3)C5=CC=CC=C5
Compound: (2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid
SMILES: CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O
Compound: 4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILES: CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CSC
Compound: 4-[(4-phenoxyanilino)methylidene]-1H-pyrazol-5-one
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C3C=NNC3=O
Compound: 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid
SMILES: COC1=C(C=CC(=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)O
Compound: N-[(9-ethyl-3-carbazolyl)methylideneamino]-2-methylbenzamide
SMILES: CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3C)C4=CC=CC=C41
Compound: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
Compound: 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]ethyl]amino]methyl]-1-cyclohexanecarboxylic acid
SMILES: C1CC(CCC1CNC(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4)C(=O)O
Compound: 1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)propyl]thiourea
SMILES: CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NCC2=CC=C(C=C2)F
Compound: 2-[(4-chlorophenyl)sulfonyl-(2-pyridinyl)amino]acetic acid
SMILES: C1=CC=NC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
Compound: 2-(2-methylanilino)-N-[(5-nitro-2-thiophenyl)methylideneamino]acetamide
SMILES: CC1=CC=CC=C1NCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]
Compound: 4-amino-N5-(4-butoxyphenyl)-N5-[2-(cyclohexylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide
SMILES: CCCCOC1=CC=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N
Compound: 3-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC
Compound: LSM-16381
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=NC(C(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Compound: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILES: CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCC3)S2)CC=C
Compound: dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose
SMILES: C[C@@H]1C[C@H](N)[C@@H](O)[C@H](O1)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-2-furanyl)methylideneamino]thiourea
SMILES: CC1=CC=C(O1)C=NNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C
Compound: 1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperidinyl)ethanone
SMILES: CC1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3F)C
Compound: N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILES: C1=CC=C(C=C1)CCNC(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CS4)C(F)(F)F
Compound: LSM-16386
SMILES: CC12COC3(C1(CCC2C3)CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7
Compound: 6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: CC1CCC2=C(C1)SC=C2C(=O)NC3=NN=C(S3)C
Compound: 5-[(4-chlorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one
SMILES: CC1=NNC(=O)N=C1NCC2=CC=C(C=C2)Cl
Compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
Compound: 1-[3-(4-phenylphenoxy)propyl]-1,2,4-triazole
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCN3C=NC=N3
Compound: 4-bromobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester
SMILES: C1=CC(=CC=C1C(=O)ON=C(C2=CC=NC=C2)N)Br
Compound: 9-methoxy-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILES: COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC)C4=NC5=CC=CC=C5N=C42
Compound: N-[4-[cyano-[3-[2-(4-morpholinyl)ethylamino]-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCN4CCOCC4
Compound: 2-methoxy-4-(methylthio)-N-pyridin-4-ylbenzamide
SMILES: COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=NC=C2
Compound: 1-(2-cyanoethyl)-6-(2-fluoro-4-methoxyphenyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=NN2CCC#N)C)C3=C(C=C(C=C3)OC)F
Compound: 2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CC(C)(C)C1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)Br
Compound: 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(1-phenylethyl)acetamide
SMILES: CC(C1=CC=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
Compound: 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: CCC1=C(SC=C1C2=NNC(=S)N2CC3=CC=CC=C3)C
Compound: 1-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
SMILES: C1=CC=C(C(=C1)CNC(=S)NC2=CC=CC=C2Cl)Cl
Compound: N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid 2,2-dimethylpropyl ester
SMILES: CC(C)(C)COC(=O)NC1=CC2=C(S1)N(N=C2C(F)(F)F)C
Compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC5=NSN=C54
Compound: 5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione
SMILES: CC1(NC(=S)N(N1)C2=CC=CC=C2)CCC3=CC=CC=C3
Compound: (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-methyl-1-piperidinyl)methanone
SMILES: CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)Cl
Compound: N-[(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILES: CCOC1=CC=CC=C1C=NNC(=O)COC2=CC=CC=C2CC=C
Compound: 3-methyl-N'-(1-oxo-2-phenoxyethyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarbohydrazide
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)NNC(=O)COC3=CC=CC=C3)C4=CC=CC=C4
Compound: 3-(4-morpholinyl)-4-(2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarboxamide
SMILES: C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
Compound: 4-acetamido-N-(2-phenylethyl)benzamide
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2
Compound: N-([biphenyl]-2-yl)-3-cyclopentylpropanamide
SMILES: C1CCC(C1)CCC(=O)NC2=CC=CC=C2C3=CC=CC=C3
Compound: N-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methoxybenzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2Br)OCCCO3
Compound: 5-(1-acetyl-5-phenyl-3-pyrazolidinylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILES: CC(=O)N1C(CC(=C2C(=O)N(C(=O)N(C2=O)C)C)N1)C3=CC=CC=C3
Compound: 1-[4-(2-chlorophenoxy)butyl]imidazole
SMILES: C1=CC=C(C(=C1)OCCCCN2C=CN=C2)Cl
Compound: 2-amino-4-(2-fluorophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrile
SMILES: C1=CC=C(C(=C1)C2=CC(=NC(=C2C#N)N)C3=CN=CC=C3)F
Compound: 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=COC(=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Br
Compound: 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C4CCCCC4
Compound: N-(2-furanylmethyl)-N-[(7-methyl-4-tetrazolo[1,5-a]quinolinyl)methyl]-2-phenoxyacetamide
SMILES: CC1=CC2=C(C=C1)N3C(=NN=N3)C(=C2)CN(CC4=CC=CO4)C(=O)COC5=CC=CC=C5
Compound: N-[(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-3-(4-morpholinylsulfonyl)aniline
SMILES: CC1=NN(C(=N)C1=NNC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4
Compound: 2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione
SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)N3CCCC3
Compound: N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CO3
Compound: 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
SMILES: C1=CN2C=C(N=C2N=C1)C3=CC(=C(C=C3)Cl)Cl
Compound: [4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4
Compound: N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=C(C=C3)N4C=NN=N4)OC)C(=O)CC5=CC=CS5
Compound: 6-phenyl-3-(2-pyridinyl)-1,2,4-triazine
SMILES: C1=CC=C(C=C1)C2=CN=C(N=N2)C3=CC=CC=N3
Compound: dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)[C@@H](N)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O
Compound: N-[(2-fluoroanilino)-sulfanylidenemethyl]-2-(4-methoxyphenoxy)acetamide
SMILES: COC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2F
Compound: 6-[(3,4-dimethoxyphenyl)methyl]-3-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-2H-1,2,4-triazin-5-one
SMILES: COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NNC=C3C=CC(=O)C=C3O)OC
Compound: 1-(benzenesulfonyl)-3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazole
SMILES: COC1=CC=C(C=C1)C2=NN(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3
Compound: 4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILES: CC1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=CO4
Compound: N-(1,3-benzodioxol-5-yl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamide
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)Cl)N(C3=CC4=C(C=C3)OCO4)C(=O)C5=NC=CN=C5
Compound: 3-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one
SMILES: CC1=NNC(=NC1=O)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 1-(2-methoxyphenyl)-3-[(3-methylphenyl)methylideneamino]thiourea
SMILES: CC1=CC=CC(=C1)C=NNC(=S)NC2=CC=CC=C2OC
Compound: 2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)OC
Compound: N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILES: COCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3
Compound: 2-[[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]butanoic acid
SMILES: CCC(C(=O)O)N=C1C=C(OC2=C1C=C(C=C2)C)C3=CC(=C(C=C3)OC)OC
Compound: 1,3-dimethyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C1=O)C
Compound: 5-[(4-bromoanilino)methylidene]-3-methylthiazolidine-2,4-dione
SMILES: CN1C(=O)C(=CNC2=CC=C(C=C2)Br)SC1=O
Compound: 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3N2
Compound: 4-methyl-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NN=C(CC(=O)C2=CC=CS2)C(F)(F)F
Compound: 3-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one
SMILES: C1CC(=O)NN=C1C(=O)N2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO
Compound: 2-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole
SMILES: CC1=CC=CC=C1N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C
Compound: 2-(3,4-dimethoxyphenyl)-N-[[1-(4-nitrophenyl)-2-pyrrolyl]methylideneamino]acetamide
SMILES: COC1=C(C=C(C=C1)CC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])OC
Compound: 1-(1-benzotriazolyl)-3-(2-methylphenoxy)-2-propanol
SMILES: CC1=CC=CC=C1OCC(CN2C3=CC=CC=C3N=N2)O
Compound: 5-(4-methylphenyl)-2-(1-piperidinyl)-7-thiazolo[4,5-b]pyridinecarboxylic acid
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4
Compound: 2-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline
SMILES: CC1=C2C(=NN=C(C2=C(N1C3=CC=CC=C3N)C)C)C
Compound: 1-(2-ethoxyphenyl)-3-[[1-methyl-5-(1-piperidinylsulfonyl)-3-indolyl]methylideneamino]thiourea
SMILES: CCOC1=CC=CC=C1NC(=S)NN=CC2=CN(C3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C
Compound: 2-methyl-5-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)aniline
SMILES: CC1=C(C=C(C=C1)N2C(=C3C(=NN=C(C3=C2C)C)C)C)N
Compound: N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SMILES: COC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2
Compound: LSM-16446
SMILES: CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)N=C4C(=CC=CN4C3=O)C
Compound: 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester
SMILES: CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C
Compound: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-1-phthalazinone
SMILES: CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
Compound: 2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
SMILES: COCCNC(=O)C(C1=CC=CS1)N(C2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC=C5N=N4
Compound: acetic acid [2-[2-(1-oxo-3-phenylprop-2-enyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl] ester
SMILES: CC(=O)OC1=CC=CC=C1C2=NN(C(C2)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4
Compound: 2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)C
Compound: N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamide
SMILES: CC1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C3=CC=C(C=C3)Cl
Compound: 5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=N1)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
Compound: 1,3-diethyl-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CCN1C(=O)C(=CNC2=CC=C(C=C2)N3CCOCC3)C(=O)N(C1=S)CC
Compound: 2-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-3-pyridinecarboxylic acid
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)CSC2=C(C=CC=N2)C(=O)O
Compound: 2-amino-1-[2-(4-morpholinyl)ethyl]-N-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide
SMILES: C=CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCN4CCOCC4)N