Compound Name

SMILES String

N#Cc1ccc(cc1)-c1cnc2ccc(N[C@H]3CCCNC3)nn12 |r|

C[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CC#N)cc3)n2n1 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3cccnc3)nn12

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CC(O)=O)cc3)n2n1 |r|

COC[C@H](C)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

C[C@H](N)c1cccc(c1)N1CCOCC1 |r|

C[C@@H](N)c1cccc(c1)N1CCOCC1 |r|

CC(C)[C@H](N)c1cccc(c1)N1CCOCC1 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NC3CCCCC3)nn12

O[C@H]1CCC[C@@H](C1)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

COCCNc1ccc2ncc(-c3ccc(cc3)C#N)n2n1

OCCNc1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)n2n1

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(Cn4ccnc4)cc3)n2n1

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(CNCO)cc3)n2n1

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(CO)cc3)n2n1

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N)cc3)n2n1 |r|

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CN)cc3)n2n1 |r|

O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r,wU:1.0,wD:4.7,(15.66,-19.91,;16.99,-20.68,;18.33,-19.92,;19.66,-20.69,;19.65,-22.22,;18.33,-23,;16.99,-22.23,;20.99,-22.99,;22.32,-22.22,;22.32,-20.68,;23.65,-19.9,;24.98,-20.68,;26.45,-20.2,;27.35,-21.45,;26.45,-22.7,;26.92,-24.16,;25.89,-25.3,;26.36,-26.76,;27.87,-27.08,;28.9,-25.93,;28.42,-24.47,;28.35,-28.55,;28.74,-30.03,;24.98,-22.22,;23.65,-22.98,)|

C[C@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

CN(Cc1ccc(F)nc1)c1ccc2ncc(-c3ccc(N)cc3)n2n1

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(CO)cc3)n2n1 |r|

N#Cc1ccc(cc1)-c1cnc2ccc(NCC3CCCO3)nn12

C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1cccnc1

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccc(cc3)N3CCOCC3)nn12

O[C@H]1CCCC[C@@H]1Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|

CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1 |r|

COc1ccc(cc1)-c1cnc2ccc(NCc3cccnc3)nn12

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CO)cc3)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(N)cc3)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CNCO)cc3)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(Cn4ccnc4)cc3)n2n1

CN(Cc1ccc(F)cc1)c1ccc2ncc(-c3ccc(CN4CCC(O)CC4)cc3)n2n1

N#Cc1ccc(cc1)-c1cnc2ccc(NC3CCCNC3)nn12