Compound Name

SMILES String

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O

CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 |r|

CCOC(=O)C1=C(CC(N(C1c1ccccn1)c1ccc(C)cc1)c1ccccc1)Nc1ccc(C)cc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1ccccn1)c1ccccc1)c1ccc(cc1)C#N)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1ccccn1)c1ccccc1)c1ccccn1)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1cccnc1)c1ccccc1)c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1cccnc1)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1cccnc1)c1ccccc1)c1ccc(cc1)C#N)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1cccnc1)c1ccccc1)c1cccnc1)Nc1ccccc1 |t:5|

CCOC(=O)C1=C(CC(N(C1c1cccs1)c1ccccc1)c1ccc(Br)cc1)Nc1ccccc1 |t:5|

CCOC(=O)C1C(N(C(CC1=O)c1ccccn1)c1ccccc1)c1ccccn1

CCOC(=O)C1C(N(C(CC1=O)c1cccnc1)c1ccccc1)c1cccnc1

CCc1cc(NS(=O)(=O)c2ccc3c(cccc3c2)N(C)C)cc(CC)c1-n1c(=O)n(C)c2ccccc2c1=O |(6.43,-1.61,;6.43,-3.15,;7.78,-3.92,;9.1,-3.15,;10.44,-3.92,;11.76,-3.15,;11.76,-1.61,;13.3,-1.61,;10.23,-1.64,;11.76,-.08,;10.43,.68,;10.41,2.23,;11.74,3,;11.74,4.55,;13.07,5.35,;14.43,4.58,;14.44,3.02,;13.09,2.23,;13.11,.7,;10.41,5.31,;10.39,6.84,;9.08,4.53,;10.43,-5.47,;9.1,-6.22,;9.09,-7.76,;10.41,-8.54,;7.78,-5.46,;6.43,-6.22,;6.43,-7.76,;7.76,-8.54,;5.08,-8.53,;5.08,-10.06,;3.76,-7.76,;2.43,-8.53,;1.1,-7.76,;1.1,-6.22,;2.43,-5.45,;3.76,-6.22,;5.1,-5.43,;5.1,-3.9,)|

CCc1cccc(CC)c1-n1c(=O)[nH]c2ccccc2c1=O |(9.41,3.63,;9.41,2.09,;10.76,1.32,;12.09,2.09,;13.42,1.32,;13.42,-.23,;12.09,-.99,;12.07,-2.53,;13.4,-3.31,;10.76,-.22,;9.41,-.98,;9.41,-2.53,;10.74,-3.31,;8.06,-3.3,;6.73,-2.53,;5.4,-3.3,;4.07,-2.53,;4.07,-.98,;5.4,-.21,;6.73,-.98,;8.07,-.19,;8.07,1.35,)|

CCc1cccc(CC)c1-n1c(=O)n(C)c2ccccc2c1=O |(13.4,-3.31,;12.07,-2.53,;12.09,-.99,;13.42,-.23,;13.42,1.32,;12.09,2.09,;10.76,1.32,;9.41,2.09,;9.41,3.63,;10.76,-.22,;9.41,-.98,;9.41,-2.53,;10.74,-3.31,;8.06,-3.3,;8.06,-4.84,;6.73,-2.53,;5.4,-3.3,;4.07,-2.53,;4.07,-.98,;5.4,-.21,;6.73,-.98,;8.07,-.19,;8.07,1.35,)|

CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CSCc2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSC(c2ccccc2)c2ccccc2)[C@H]1O |r|

CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSCc2ccccc2)[C@H]1O |r|

COC(=O)C1=C(CC(N(C1c1ccc(cc1)[N+]([O-])=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Nc1ccccc1 |t:4|

COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)n2cnc3c(ncnc23)N(C)C)cc1 |r|

N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCCCO |r|

O=c1[nH]c2ccccc2c(=O)n1-c1c2ccccc2cc2ccccc12 |(11.65,-3.55,;10.32,-2.77,;8.96,-3.54,;7.62,-2.77,;6.29,-3.54,;4.96,-2.77,;4.96,-1.22,;6.29,-.44,;7.63,-1.22,;8.96,-.43,;8.96,1.11,;10.32,-1.22,;11.65,-.45,;12.98,-1.22,;12.98,-2.74,;14.31,-3.53,;15.64,-2.76,;15.65,-1.22,;14.32,-.47,;14.33,1.09,;12.98,1.85,;12.98,3.38,;11.65,4.15,;10.33,3.37,;10.33,1.85,;11.65,1.09,)|

OC1=CC(N(C(C1)c1ccccn1)c1ccccc1)c1ccccn1 |t:1|

OC1=CC(N(C(C1)c1cccnc1)c1ccccc1)c1cccnc1 |t:1|