1954 SMILES Strings for Isocitrate dehydrogenase [NADP] cytoplasmic

Compound Name
SMILES String
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc3[nH]ccc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc3[nH]ccc3c2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccccc1 |r|
CC(Nc1nccc(n1)N1CCOC1=O)c1ccccc1
C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)c1ccccc1 |r|
O=C1OC[C@@H](N1c1ccnc(NC2CCCC2)n1)c1ccccc1 |r|
O=C1OC[C@@H](N1c1ccnc(NC2CC2)n1)c1ccccc1 |r|
O=C1OC[C@@H](N1c1ccnc(NC2CCCCCC2)n1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccccc1 |r|
CC[C@H](Nc1nccc(n1)N1[C@H](COC1=O)C(C)C)c1ccccc1 |r|
CC[C@@H](Nc1nccc(n1)N1[C@H](COC1=O)C(C)C)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](C)[C@H](OC1=O)c1ccccc1)c1ccccc1 |r|
O=C1OCCN1c1ccnc(NC2CCCC2)n1
O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NC2CCCC2)n1 |r|
O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CCCC2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](C)[C@@H](OC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H](COC1=O)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 |r|
CC(C)[C@@H]1N(C(=O)OC1(C)C)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@@H]1N(C(=O)OC1(C)C)c1ccnc(N[C@H](C)c2ccccc2)n1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H](C)[C@@H](OC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](C)[C@H](OC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H]2CCc3ccccc23)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H]2CCc3ccccc23)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H]([C@@H](OC1=O)c1ccccc1)c1ccccc1)c1ccccc1 |r|
CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)C[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccccn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccncc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc3ccccc23)n1 |r|
COc1ccc(cc1)[C@@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1[C@H]([C@H](OC1=O)c1ccccc1)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H]([C@H](OC1=O)c1ccccc1)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H]([C@@H](OC1=O)c1ccccc1)c1ccccc1)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccc3ccccc23)n1 |r|
COc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2cncnc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc3ccccc3c2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(F)cc1 |r|
CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H]([C@@H](C)OC1=O)c1ccccc1)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H]([C@@H](C)OC1=O)c1ccccc1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)C(C)(C)OC1=O)c1ccccc1 |r|
CC(C)C[C@@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3ccccc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(C)cc2)n1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)C(C)(C)OC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1cccnc1)c1ccccc1 |r|
COc1ccc(cc1)C1N(C(=O)OC1(C)C)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
O=C1OC[C@H](N1c1ccnc(NCc2ccccc2)n1)c1ccccc1 |r|
O=C1OC[C@@H](N1c1ccnc(NCc2ccccc2)n1)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)N2CCN(C)CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r|
COc1ccc2cc(ccc2c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
COc1cccc(c1)[C@@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Br)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1CCOC1=O)c1cccc2ccccc12 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccc(Br)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(Br)cc2)n1 |r|
COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)C(C)(C)C)c1ccccc1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H](COC1=O)C(C)(C)C)c1ccccc1 |r|
COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccn1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccncc1)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2F)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)N2CCOCC2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccccc1)c1cnn(c1)-c1ccccc1 |r|
COc1cc(cc(OC)c1Br)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc3[nH]ccc3c2)n1 |r|
COc1ccc2cc(ccc2c1Br)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(F)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2C(F)(F)F)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccccc1)c1ccc2ccccc2c1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccccc1)c1ccccc1 |r|
COc1ccccc1[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1CCOC1=O)c1ccc2ccccc2c1 |r|
COc1cccc(c1)[C@H](C)Nc1nc(C)cc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1 |r|
CC(C)[C@H](C)Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|
O=C1OCCN1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:12:13:16:19.20.18,21:19:16:22.13.14,21:13:16:19.20.18|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(c2)[N+]#[C-])n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Cl)c2)n1 |r|
CC(Nc1nccc(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(cc1)N1CCCCC1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2C(F)(F)F)n1 |r|
CC(Nc1nccc(n1)N1C(=O)OCC1(C)C)c1cnn(c1)-c1ccccc1
CC(C)[C@H]1COC(=O)N1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1 |r,TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:15:16:19:22.23.21,24:22:19:25.16.17,24:16:19:22.23.21|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)C1CCCCC1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCCCC2)n1 |r|
CC(COc1ccccc1)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)C1CCCCC1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc3ccccc3c2)ncc1Cl |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)[N+]#[C-])n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1cccc2ccccc12 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)S(N)(=O)=O)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(O)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)C1CCCCC1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc3ccccc3c2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1Cl |r|
COc1ccc(cc1OC)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
COc1ccc2cc(ccc2c1)[C@H](C)Nc1nccc(n1)N1C(=O)OCC1(C)C |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccc2ccccc2c1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Br)cc1 |r|
COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|
COc1cc(ccc1F)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)c1ccc(Br)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cccc(c2)N2CCOCC2)n1 |r|
COc1ccc2cc(ccc2c1)[C@H](C)Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc2ccccc2c1 |r|
CC(Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)N1CCCCC1
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc3OCCOc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cccnc2)n1 |r|
O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NC2CC2)n1 |r|
O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NC2CCCCC2)n1 |r|
O=C1OC[C@H](Cc2ccccc2)N1c1ccnc(NCc2ccccc2)n1 |r|
C[C@@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)COC1=O)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cn(C)nc2C)n1 |r|
CC(C)C[C@H](C)Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|
CC(C)C[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc(F)cc1 |r|
CC(Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc(cc1)N1CCCCC1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)COC1=O)c1ccccc1 |r|
O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CC2)n1 |r|
O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CCCCCC2)n1 |r|
O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NC2CCCCC2)n1 |r|
O=C1OC[C@@H](Cc2ccccc2)N1c1ccnc(NCc2ccccc2)n1 |r|
C[C@@H](Nc1nccc(n1)N1[C@H](Cc2ccccc2)COC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](Cc2ccccc2)COC1=O)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F |r|
COc1cccc(c1)[C@H](C)Nc1ncc(C)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc3ccccc3c2)ncc1C |r|
COc1cccc(c1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc2ccccc2c1 |r|
COc1ccc2cc(ccc2c1)[C@H](C)Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)C1CCCCC1 |r|
C[C@@H](CO)Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)C(C)(C)C |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1cccc2ccccc12 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C(C)(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3OCCc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(C)(C)C)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)C1CC1 |r|
COc1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nccc(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc2ccccc2c1 |r|
COc1cc(ccc1F)[C@H](C)Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(c2ccccc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cccc(F)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Cl)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Cl)c(Cl)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cccc(c2)-n2cccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cccc(c2)-n2cccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-n2cccc2)n1 |r,w:15.16|
COc1ccc(cc1OC)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:10.11|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)N2CCCCC2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnn(c2)-c2ccccc2)n1 |r,w:15.16|
CC(Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r,w:1.0|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc3OCCOc3c2)n1 |r,w:15.16|
CC(Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r,w:1.0|
CC(Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc(cc1)N1CCCCC1 |r,w:1.0|
CC(Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)N1CCCCC1 |w:1.0|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnn(c2)-c2ccc(F)cc2)n1 |r,w:15.16|
COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15|
COc1ccc(cc1)C1N(C(=O)OC1(C)C)c1ccnc(NC(C)c2ccccc2)n1 |w:22.24|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNC(C)(C)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccnc(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2cnn(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC4CN(C)CC4C3)cc2)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC11CCCC1)c1ccc(Oc2ccccc2)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NCC2CCCCC2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)c1ccc(Br)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCn4cnnc4C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)(C)C3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC(C)NC(C)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCCN(C)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)(C)C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)(C)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1 |r,wU:15.16,wD:3.2,(8,-1.93,;7.23,-.59,;5.69,-.59,;8,.74,;9.54,.74,;10.02,2.21,;8.77,3.11,;8.77,4.65,;7.53,2.21,;6.19,2.98,;6.19,4.52,;4.86,5.29,;3.53,4.52,;3.53,2.98,;2.19,2.21,;2.19,.67,;3.53,-.1,;.86,-.1,;.86,-1.64,;-.48,-2.41,;-1.81,-1.64,;-3.14,-2.41,;-3.14,-3.95,;-4.48,-1.64,;-5.81,-2.41,;-7.14,-1.64,;-8.48,-2.41,;-8.48,-3.95,;-10.02,-3.95,;-9.25,-5.29,;-7.14,-4.72,;-5.81,-3.95,;-1.81,-.1,;-3.14,.67,;-.48,.67,;4.86,2.21,)|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCC4C3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C3CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C3CCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCCC4C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3C4CCC3CN(C)C4)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC4CCC(C3)N4C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCC4C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nn[nH]n2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)OCc3ccccc3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(C)(N)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(CC3)N(C)C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)NC(C)(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)NC2CCCCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)Nc2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)N2CCCCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)N2CCN(C)CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCCCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCOCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccc(F)cc1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC11CCCC1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC11CCCC1)c1ccc(Oc2ccccc2)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(Oc2ccccc2)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(Cc3ccccc3)nc2C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnn(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(c2)-n2cccn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-n2cccn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnn(c2C)-c2ccccc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccn1)c1ccccc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)nc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(OC3CCOCC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1cccnc1)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccncc1)c1ccccc1 |r|
COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1 |r|
CC(Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(cc1)-c1ccccc1 |r|
CC(C)[C@@]1(C)COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(C)CC2)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(CN2CCN(C)CC2)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(CN2CCN(C)CC2)cc1 |r|
CC(C)[C@@]1(C)COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 |r|
CC(C)[C@@H]1N(C(=O)OC1(C)C)c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccccn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3ncccc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3cccnc3c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(c(F)c2)-n2ccnc2C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-n2ccnc2C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C2CCCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)N(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(NC(C)=O)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3[nH]2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)[N+]([O-])=O)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(s2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc3cc(Cl)ccc3[nH]2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(CC(C)(C)C)on2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)OCc2ccccc2)n1 |r|
CC(Nc1ncc(F)c(n1)N1CCOC1=O)c1ccc(cn1)-c1ccc(F)c(C)c1
CC(Nc1nccc(n1)N1CCOC1=O)c1ncc(Oc2ccc(F)cc2)cn1
CC(Nc1ncc(F)c(n1)N1CCOC1=O)c1ncc(Oc2ccc(F)cc2)cn1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)[C@H]2CC[C@@H](CC2)Oc2ccc(F)cc2)n1 |r,wU:17.23,wD:3.2,15.16,20.24,(5.9,-1.44,;5.13,-.1,;3.59,-.1,;5.9,1.23,;7.44,1.23,;7.91,2.69,;6.67,3.6,;6.67,5.14,;5.42,2.69,;4.09,3.47,;4.09,5,;2.76,5.78,;1.42,5,;1.42,3.47,;.09,2.69,;-1.25,3.47,;-1.25,5,;-2.58,2.69,;-2.58,1.15,;-3.91,.38,;-5.25,1.15,;-5.25,2.69,;-3.91,3.47,;-6.58,.38,;-6.58,-1.15,;-7.91,-1.93,;-7.91,-3.47,;-6.58,-4.23,;-6.58,-5.78,;-5.25,-3.47,;-5.25,-1.93,;2.76,2.69,)|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Cl)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)c(Cl)c3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3cccnc3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(I)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(cn3)C(F)(F)F)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncccn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nccc(Oc3ccc(F)cc3)n2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F |r|
COc1ccc(cc1)C1N(C(=O)OC1(C)C)c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r,w:8.8|
CC(Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1cnn(c1)-c1ccccc1 |r,w:1.0|
CC(Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccccc1)c1cnn(c1)-c1ccccc1 |r,w:1.0|
CC(Nc1nccc(n1)N1C(=O)OC[C@@]1(C)c1ccc(F)cc1)c1cnn(c1)-c1ccc(F)cc1 |r,w:1.0|
COc1cccc(c1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2c(C)nn(c2C)-c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-n2ccnc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3cccnc3)c(F)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(OC3CCOCC3)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-c2ccncc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)N(C)c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(C)o2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nncn2C)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cn3ncsc3n2)n1 |r,w:15.16|
CCn1ncnc1C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:7.8|
CCn1cnnc1C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:7.8|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cn3ccsc3n2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(NS(C)(=O)=O)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(C)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)S(C)(=O)=O)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)no2)n1 |r,w:15.16|
CCc1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:7.8|
CCCc1noc(n1)[C@@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CCCc1noc(n1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)C2CC2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)C(C)C)n1 |r,w:15.16|
CCn1ccc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:7.8|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc3[nH]ccc3c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc3ccccc3s2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc3ccccn3c2)n1 |r,w:15.16|
COc1ccccc1-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15|
COc1cccc(c1)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(F)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)C2CCCCC2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(F)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc3ccccc3o2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)cs2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccs2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccs2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccco2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccncc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccc2Cl)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccnc2)n1 |r,w:15.16|
CCn1nccc1C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:7.8|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(C)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccc2C)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)S(=O)(=O)N(C)C)n1 |r,w:15.16|
COc1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2noc(n2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cn2)-c2ccc(F)c(C)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3)cn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3ccc(F)cc3)cn2)n1 |r,w:15.16|
CC(Nc1ncc(F)c(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Oc2ccc(F)cc2)cn1 |r,w:1.0|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(Oc3ccc(F)cc3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(Oc3ccc(F)cc3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(Oc3ccc(F)cc3)nc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3F)cn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(F)cc2C)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CO)cc2)n1 |r|
CC1(C)OC(=O)N([C@@H]1c1ccccc1)c1ccnc(NC(c2ccccc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(c2ccccc2)C(F)(F)F)n1 |r,w:15.23|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)c2ccc(F)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)C2CCCCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(o2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2nc(no2)-c2ccc(C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCNCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C2CCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)C2CCN(CC2)C(=O)c2ccncc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)C2CCN(CC2)C(=O)c2cccnc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cn(Cc3ccccc3)nn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cn(nn2)-c2ccccc2)n1 |r,w:15.16|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1cnc(OCC(F)(F)F)c(Cl)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@H]1C(C)OC(=O)N1c1nc(N[C@@H](C)c2ccccc2)ncc1F |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC(C)(C)C1(C)C)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC(C)C1(C)C)c1cnc(OCC(F)(F)F)c(Cl)c1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1cnc(OCC(F)(F)F)c(Cl)c1 |r|
C[C@H](Nc1nc(Cl)cc(n1)N1C(=O)OCC1(C)C)c1ccccc1 |r|
C[C@H](Nc1nc(Cl)cc(n1)N1CCOC1=O)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nc(Cl)cc(n1)N1CCOC1=O)c1ccc(cc1)-c1cnn(C)c1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)C(C)(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2cnn(C)c2C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)n1 |r|
CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C(C)C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)-c2cnn(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)-c2cn[nH]c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCC3)c2)n1 |r|
CC(C)Oc1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)Oc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)COc1cccc(c1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCOC3)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)ncc1F |r|
CC(C)COc1ccc([C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)C(C)C)c(C)c1 |r|
CC(C)COc1ccc(cc1C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCn4ccnc4C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC4CNC4C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(N)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(C)(O)CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCCC(F)(F)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNC4(CC4)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCNCC33CC3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC(F)(F)C(F)(F)C3)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(F)c2F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)c(F)c2)n1 |r,wU:15.16,24.24,3.2,wD:27.28,(-7.46,-3.35,;-7.06,-1.86,;-5.57,-1.46,;-8.15,-.77,;-9.62,-1.25,;-10.52,,;-9.62,1.25,;-10.39,2.58,;-8.15,.77,;-6.82,1.54,;-6.82,3.08,;-5.48,3.85,;-4.15,3.08,;-4.15,1.54,;-2.82,.77,;-1.48,1.54,;-1.48,3.08,;-.15,.77,;-.15,-.77,;1.18,-1.54,;2.52,-.77,;3.85,-1.54,;3.85,-3.08,;5.19,-.77,;6.52,-1.54,;7.85,-.77,;9.19,-1.54,;9.19,-3.08,;10.52,-3.85,;7.85,-3.85,;6.52,-3.08,;2.52,.77,;3.85,1.54,;1.18,1.54,;-5.48,.77,)|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3cncnc3)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(c2ccccc2)C2(COC2)OC1=O)c1ccccc1 |r,w:10.11|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NCc2ccc(Oc3ccccc3)cc2)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@H](COC1=O)c1ccccc1)C1CC1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccc(cc1)-c1ccccc1)C1CC1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(F)(F)CC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCOCC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3O)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N(C)C3CCOCC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N(C)C)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCOCC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCOC[C@H]3C)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)n1 |r|
COC1CCN(CC1)C(=O)c1ccc(cc1F)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(F)CC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC[C@@H](O)C3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCCC3)c(F)c2)n1 |r|
CC(Nc1nccc(n1)N1CCOC1=O)c1noc(n1)-c1ccc(Cl)cc1 |w:1.0|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CNC(C)(C)C)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(Cc3ccccc3)c2C)n1 |r|
C[C@H](Nc1nccc(n1)N1CCOC1=O)c1ccc(Oc2ccccc2)cc1 |r|
CSc1nnc(o1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(OCc3ccc(F)cc3F)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3cncc(Br)c3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(OCc3cccc(F)c3)cn2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnn(c2C)-c2ccc(cc2)C#N)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-c2cccnc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-n2nc(C)cc2C)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccccc2O)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnn(c2C)-c2ccccc2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc3n(C)cnc3c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc3[nH]c(=O)[nH]c3c2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)C2CCCC2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)C(C)(C)C)n1 |r,w:15.16|
CC(C)Cc1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:9.10|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cscn2)n1 |r,w:15.16|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)C2CCOCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)N2CCOCC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nnc(o2)S(C)(=O)=O)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1CC(C)(C)OC1=O)c1ccc(cc1F)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1CC(C)OC1=O)c1ccc(cc1F)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1CC2(CC2)OC1=O)c1ccc(cc1F)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)(C)C1(C)C)c1cnc(c(Cl)c1)C(C)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1cnc(c(Cl)c1)C(C)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)(C)C1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)C1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)(C)C1(C)C)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC(C)C1(C)C)c1ccccc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)C1(C)C)c1ccccc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccccc1 |r|
CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC(C)(C)C1(C)C)c1cnc(OCC(F)(F)F)c(Cl)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1CCOC1=O)c1cc(F)c(Br)cc1F |r|
CC(C)c1cc(F)c(cc1F)[C@H](C)Nc1ncc(F)c(n1)N1CCOC1=O |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nc(Cl)cc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2(C)CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(nc2)C(C)(C)C)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C2(C)CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)C2CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)C2(C)CC2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2(CC2)C#N)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)c(Cl)c2)n1 |r,wU:3.2,24.24,wD:15.16,27.28,(-3.5,-2.45,;-3.9,-3.94,;-2.81,-5.03,;-5.39,-4.34,;-5.87,-5.8,;-7.41,-5.8,;-7.88,-4.34,;-9.37,-3.94,;-6.64,-3.44,;-6.64,-1.9,;-7.97,-1.13,;-7.97,.41,;-6.64,1.18,;-5.3,.41,;-3.97,1.18,;-2.63,.41,;-2.63,-1.13,;-1.3,1.18,;.03,.41,;1.37,1.18,;1.37,2.72,;2.7,3.49,;2.7,5.03,;4.03,2.72,;5.37,3.49,;5.37,5.03,;6.7,5.8,;8.04,5.03,;9.37,5.8,;8.04,3.49,;6.7,2.72,;.03,3.49,;.03,5.03,;-1.3,2.72,;-5.3,-1.13,)|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCCC3)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(O[C@H]3CCOC3)c2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)C2CCCO2)n1 |r|
CCOC1(CC1)c1ccc(cn1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1F)C(F)(F)F |r|
C[C@H](Nc1nccc(n1)N1[C@@H](COC1=O)c1ccccc1)C1CC1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)COC1=O)C1CC1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(c2)C(C)C)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)cc2)ncc1F |r|
CC(C)COc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)COc1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)-c2cnn(C)c2)ncc1F |r|
C[C@H](Nc1ncc(F)c(n1)N1CCOC1=O)c1cccc(F)c1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)nc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)N3CCCCC3)c(F)c2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1 |r|
C[C@H](Nc1nccc(n1)N1C(c2ccccc2)C2(CCOCC2)OC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1C(c2ccccc2)C2(CCOCC2)OC1=O)c1ccccc1 |r,w:10.11|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc3CCCCc3s2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C(F)(F)F)n1 |r|
CC(Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)C(F)(F)F |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)C1CC1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OC(C)(C)C1(C)C)C1CC1 |r|
C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Cc1ccccc1C(N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCC1
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(o2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(C)c2)n1 |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(C)c2)n1 |r|
COc1cc(ccc1Cl)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)OC(C)(C)C |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)n1 |r|
CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)OC(C)(C)C)c1nc(no1)-c1ccc2ccn(C)c2c1 |r|
CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)OC(C)(C)C)c1nc(no1)-c1cccc(c1)C(C)(C)C |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OC(F)(F)F)c2)n1 |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(OC(F)(F)F)c2)n1 |r|
CC(C)c1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)OC(C)(C)C |r|
CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)OC(C)(C)C)c1nc(no1)-c1cccc2n(C)c(C)cc12 |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(cs2)-c2ccc(Br)cc2)ncc1F |r|
C[C@H](Nc1nccc(n1)N1C(COC1=O)C(C)C(F)(F)F)c1nc(no1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(COC1=O)C(C)C(F)(F)F)c1ccc(CO)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cccc(Cl)c2Cl)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(OC(F)(F)F)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cc(F)ccc2C)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)C(C)(C)C)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3)cn2)n1 |r|
C[C@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
CC(O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)(C)C3)c(F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccc(F)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)-c2ccc(F)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(cn2)-c2ccc(F)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(nc2)-c2ccc(nc2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccc(nc2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2cccc(n2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2C)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(c(C)n2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(cs2)-c2ccc(cc2)C#N)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(cs2)-c2ccc(Cl)cc2Cl)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(cs2)-c2ccc(Cl)cc2Cl)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(cs2)-c2ccc(Br)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(cs2)-c2ccc(Br)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(cs2)-c2ccc(cc2)C#N)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(cn2)-c2ccc(F)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(Cl)c(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2ccc(Cl)c(C)c2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cc(Cl)cc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2cc(Cl)cc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(F)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nnc(o2)-c2ccc(F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(CCOc3ccccc3)no2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(C)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(C)cc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccc(C)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccc(C)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccccc2C)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccccc2C)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccc(F)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccc(F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccnc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2cccnc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2noc(Cc3ccccc3)n2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2noc(Cc3ccccc3)n2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2noc(Cc3ccccc3)n2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2noc(Cc3ccccc3)n2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Br)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Br)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(C)c(F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(C)c(F)c2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(C)c(F)c2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(F)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)c(Cl)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)c(Cl)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)cc2Cl)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(F)c(F)c2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(F)c(F)c2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)cc2Cl)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2cc(no2)-c2ccc(Cl)cc2Cl)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(cs2)-c2ccc(F)c(Cl)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(cs2)-c2ccc(F)c(Cl)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(Cl)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(Cl)c2)n1 |r,w:15.16|
CC(C)c1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1C(COC1=O)[C@@H](C)O |r,w:14.16|
CC(C)c1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r,w:14.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(C)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(C)c2)n1 |r,w:15.16|
CCc1ccc(cc1)-c1noc(n1)C(C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)O |r,w:13.15|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(C)c(C)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccc(C)c(C)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc3ccncc23)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc3ccncc23)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(cc2)C(C)C)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(c2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(c2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(OC(F)(F)F)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)c(OC(F)(F)F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OC(F)F)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OC(F)F)c2)n1 |r,w:15.16|
COc1cc(ccc1Cl)-c1noc(n1)C(C)Nc1nccc(n1)N1C(COC1=O)[C@@H](C)O |r,w:14.16|
COc1cc(ccc1Cl)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r,w:14.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3OC(F)(F)Oc3c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3OC(F)(F)Oc3c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(c2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(c2)C(F)(F)F)n1 |r,w:15.16|
CCc1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r,w:13.15|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(cc2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(cc2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(CCc3ccccc3)no2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(CCc3ccccc3)no2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(OC(F)(F)F)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(OC(F)(F)F)cc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OCC(F)(F)F)c2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OCC(F)(F)F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(c(C)s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(cs2)-c2ccc(Br)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(cs2)-c2ccc(Br)cc2)ncc1F |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(c(C)c2)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(c(C)c2)C(F)(F)F)n1 |r,w:15.16|
C[C@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(s2)-c2ccnc(c2)C(C)(C)C(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(C)c(s2)-c2ccnc(c2)C(C)(C)C(F)(F)F)n1 |r,w:15.16|
C[C@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(C)c(s2)-c2ccnc(c2)C(C)(C)C(F)(F)F)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(s2)-c2ccnc(c2)C(C)(C)C(F)(F)F)ncc1F |r,w:13.14|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2ncc(o2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(o2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(o2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)-c2cnn(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1)C(F)F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1)C(F)(F)F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(n1)[C@@H](C)c1cc(F)c(cc1F)-c1cnn(C)c1 |r|
C[C@@H](O)C1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(on2)-c2ccccc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2cnn(c2)-c2ccc(F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2nnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(CF)nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(CF)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(no2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)C1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(F)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(on2)-c2ccc(F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(CN3CCOCC3)on2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@H](C)c2cc(CN3CCOCC3)on2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccccn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2cccnc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccncc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2ccn(n2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(nn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(nn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(nn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2ccc(cc2F)C(C)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cnc(s2)-c2ccc(C)nc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(nc2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccnc(c2)C(F)(F)F)n1 |r|
COC(=O)c1cc(nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1)N1[C@H](COC1=O)[C@@H](C)O |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(c(C)n2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(cc2)C(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)n1 |r|
CCOC1(CC1)c1ccc([C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2(CC2)C#N)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)-c2cnn(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2cnn(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)-c2cn[nH]c2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2(C)CC2)n1 |r|
CC(C)c1ccc([C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)-c2cnn(C)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C2(C)CC2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)-c2cn[nH]c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(C)(C)O)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(F)c(cc2F)-c2cnn(C)c2)ncc1F |r|
C[C@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(C)(C)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1Cl |r|
CC(C)c1cc(F)c(cc1F)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)O |r|
CC(O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(Br)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(Br)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2ncc(Br)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Br)cn2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Br)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(c(Cl)c2)C(C)(F)F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)cc2Cl)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Br)nc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2ccc(Br)cn2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(Cl)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(Cl)c(Cl)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2ncc(Cl)cc2Cl)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(Cl)cc2Cl)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ncc(Cl)cc2Cl)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ncc(OCC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2ccn(n2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccn(n2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccn(n2)-c2ccc(F)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)cn2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2ccc(OCC(F)(F)F)cn2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccn(n2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccn(n2)-c2ccc(F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)cc2Cl)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccn(n2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OCC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OCC(F)(F)F)c(F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(Br)cn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(Cl)c(Cl)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-n2cnc(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(Cl)c(Cl)cc2F)ncc1Cl |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccnc(C)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccc(C)nc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccc(nc2)C(F)(F)F)n1 |r|
CC(C)COc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
COc1ccc([C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(F)c2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(F)c2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(F)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(F)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(F)cc(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(cn2)-c2ccnc(c2)C(F)(F)F)ncc1Cl |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OCC(F)(F)F)nc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(F)F)ncc1F |r|
C[C@@H](O)C1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(C)(F)F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2F)C(C)(F)F)ncc1F |r|
C[C@@H](O)C1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(C)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(s2)-c2ccccc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(s2)-c2ccccn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(O[C@H]3CCOC3)c2)n1 |r|
CC(C)COc1cccc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
CC(C)CS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1nc(Cl)cc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)F)c(F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OC(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC(F)(F)F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC(F)F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)cc2F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(OC(F)(F)F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(OC(F)F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)n1 |r|
CC(C)Oc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
CC(C)COc1ccc(cc1C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2F)ncc1F |r|
CC(C)COc1ccc([C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)cc2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)F)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)n1 |r|
CC(C)CS(=O)(=O)c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)S(=O)(=O)C(C)C)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2)S(=O)(=O)C(C)C)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(OCC3CC3)cc2)n1 |r|
CC(C)COc1ccc([C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(F)c(cc2F)-c2cnn(C)c2)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ccc(cc2F)C(F)(F)F)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CO[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccc(C)nc2)n1 |r|
C[C@@H](N)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](N)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2ccc(C)nc2)n1 |r|
CN[C@H](C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccc(nc2)C(F)(F)F)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnc(s2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(on2)-c2ccc(C)cc2)ncc1F |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(c(C)n2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-n2cnc(C)c2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccn(n2)-c2ccc(nc2)C(F)(F)F)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cc(on1)-c1ccc(Cl)cc1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(c(C)n2)-c2ccc(Cl)cc2)n1 |r|
CC(O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)c2ccnc(c2)C(C)(C)C(F)(F)F)n1 |r|
CC(O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)c2ccc(Cl)c(OC(F)(F)F)c2)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1ccc(cc1F)C(F)F |r|
CC(Nc1nccc(n1)N1C(COC1=O)[C@@H](C)C(F)F)c1nc(no1)-c1ccc(Cl)cc1 |r,w:1.0|
CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1nc(no1)-c1ccc(Cl)cc1 |r,w:1.0|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1ccc(cc1F)C(F)F |r|
CC(Nc1nccc(n1)N1C(COC1=O)[C@@H](C)C(F)F)c1ncc(cn1)-c1ccc(F)c(C)c1 |r,w:1.0|
CC(Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1ncc(cn1)-c1ccc(F)c(C)c1 |r,w:1.0|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3ccn(C)c3c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(OC(F)(F)F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc3n(C)c(C)cc23)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(OC(F)(F)F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)c(C)c2)n1 |r|
COc1cc(ccc1Br)-c1noc(n1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)O |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2cccc(c2)C(C)(C)C)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3CCCc3c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc3CCCc3c2)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2noc(n2)-c2ccc(Cl)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2noc(n2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)[C@@H](C)C(F)F)c1cn(cn1)-c1ccc(F)cc1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(s2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(F)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(F)c(F)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)c(F)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(F)c(Cl)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(C(F)F)c(F)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(on1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cnc(s1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cn(c(C)n1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cnc(s1)-c1ccnc(c1)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccnc(C)c1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccc(C)nc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-c1ccnc(c1)C(F)(F)F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1cc(F)c(cc1F)-n1cnc(C)c1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(C(F)F)c(F)c2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(F)c2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2cc(F)cc(F)c2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(on2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cnn(c2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cc(F)cc(F)c2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(C(F)F)c(F)c2)n1 |r|
C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(F)c2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)c(F)c2)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(F)c(cc2F)-c2cnn(C)c2)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2)ncc1F |r|
C[C@@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)ncc1F |r|
C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ncc(cc2F)-c2ccnc(c2)C(F)(F)F)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](F)C1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(F)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)c(F)c1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(F)c(F)c1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(C(F)F)c(F)c1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2F)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2F)n1 |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(F)cc2F)ncc1F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](CF)COC1=O)c1ncc(o1)-c1ccc(Cl)cc1 |r|
CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(CC2)c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F |r|
CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(CC2)c2ccnc(c2)C(C)(C)C(F)(F)F)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)c(F)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc([nH]2)-c2ccc(Cl)c(Cl)c2)ncc1F |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cn2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)nc2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(cn2)-c2ccc(F)c(c2)C(F)(F)F)n1 |r|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(CCOc3ccccc3)no2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)cc2)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(F)cc2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccccc2F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nnc(o2)-c2ccccc2F)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(C)c(F)c2)n1 |r,w:15.16|
C[C@@H](O)C1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccc2OC(F)(F)F)n1 |r,w:15.16|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccccc2OC(F)(F)F)n1 |r,w:15.16|
CCc1ccc(cc1)-c1noc(n1)C(C)Nc1ncc(F)c(n1)N1C(COC1=O)[C@@H](C)O |r,w:13.15|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2nc(no2)-c2ccc(cc2)C(C)C)ncc1F |r,w:13.14|
CCc1ccc(cc1)-c1noc(n1)C(C)Nc1nccc(n1)N1C(COC1=O)[C@@H](C)O |r,w:13.15|
C[C@@H](O)C1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2ncc(cn2)-c2ccc(Cl)c(Cl)c2)ncc1F |r,w:13.14|
CC(C)c1ccc([C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)[C@@H](C)O)c(F)c1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(c(Cl)c2)C(C)(F)F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(OCC(F)(F)F)c(Cl)c2)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)c(F)c2F)n1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(F)c(Br)cc2F)ncc1F |r|
C[C@H](F)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)ncc1F |r|
Cc1c(\C=C2/Sc3ccccc3C2=O)c(O)n2c3ccccc3nc2c1C#N
Fc1cccc(c1)C(=O)Oc1cccc(\C=C2/SC(=S)NC2=O)c1
Cc1cc(ccc1-c1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1)C(O)=O
[O-][N+](=O)c1ccc(COc2cccc(\C=C3\SC(=S)NC3=O)c2)cc1
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC(C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2cccc(Cl)c2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccccc2Cl)n1 |r|
COc1ccc2cc(ccc2c1)[C@H](C)Nc1nccc(n1)N1[C@H](CNC1=O)C(C)C |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC(C)c2ccc(cc2)-c2ccccc2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC(C)c2ccc(Oc3ccccc3)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](CNC1=O)c1ccccc1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)NCC11CCCC1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)NCC1(C)C)c1cn(cn1)-c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)-n1cnc(c1)C1(CC1)Nc1nccc(n1)N1[C@H](CNC1=O)c1ccccc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](CNC1=O)C1CC1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)-n1cnc(c1)C1(CC1)Nc1nccc(n1)N1[C@H](CNC1=O)C1CC1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2ccc(cc2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(C)cc2)n1 |r|
CCc1ccc(cc1)-n1cnc(c1)C1(CC1)Nc1nccc(n1)N1[C@H](CNC1=O)C(C)C |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(C)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(C)c(Cl)c2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(C)cn2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(Cl)cc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(C)nc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C(C)C)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(F)c(C)c(F)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(CC3CCCCC3)cn2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)C2CCC(F)(F)CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)C2CCC(C)CC2)n1 |r,wD:3.2,(2.59,-.52,;2.19,.97,;.7,1.37,;3.28,2.06,;4.74,1.58,;5.65,2.83,;7.14,3.23,;4.74,4.07,;5.51,5.41,;3.28,3.6,;1.95,4.37,;1.95,5.91,;.61,6.68,;-.72,5.91,;-.72,4.37,;-2.05,3.6,;-2.05,2.06,;-1.28,.72,;-.51,2.06,;-3.39,1.29,;-3.39,-.25,;-4.85,-.73,;-5.76,.52,;-4.85,1.76,;-5.25,-2.22,;-6.74,-2.61,;-7.14,-4.1,;-6.05,-5.19,;-6.45,-6.68,;-4.56,-4.79,;-4.16,-3.3,;.61,3.6,)|
COc1cc(Cl)cc(c1)-n1cnc(c1)C1(CC1)Nc1nccc(n1)N1[C@H](CN(C)C1=O)C(C)C |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(cc2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(CC3CCCC3)cn2)n1 |r|
CCN1C[C@H](C(C)C)N(C1=O)c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(Br)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc3OCOc3c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(Cl)cc(Br)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)C2CCC(C)(C)CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(F)cc(Br)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cccc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(Cl)ccc2F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cccc(c2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cccc(c2)C(C)C)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(C)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)C2CCC(C)(C)CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cc(F)cc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2cc(Cl)cc(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(Cl)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)c(F)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2ncn(n2)-c2cccc(c2)C2CC2)n1 |r|
COc1cc(ccc1Cl)-n1cnc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](CN(C)C1=O)C(C)C |r|
CC(C)CCn1cnc(c1)[C@H](C)Nc1nccc(n1)N1[C@H](CN(C)C1=O)C(C)C |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(c(Br)n2)-c2cccc(c2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(C)C)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2ncn(c2Br)-c2cccc(c2)C2CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2ncn(n2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CCC2)c2cn(cn2)-c2cccc(Br)c2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC(C)(C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C2CC2)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CCN1C[C@H](C(C)C)N(C1=O)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)C2CCC(F)(F)CC2)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(c(C)n2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](Nc1nc(Cl)cc(n1)N1[C@H](CN(C)C1=O)C1CC1)c1cn(cn1)-c1ccc(F)cc1 |r|
C[C@H](Nc1nc(C)cc(n1)N1[C@H](CN(C)C1=O)C1CC1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@@H](O)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1[C@H](C)NC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1[C@@H](C)NC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1[C@@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1[C@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1[C@@H](C)NC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1[C@H](C)NC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1[C@@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1[C@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(F)cc(Cl)c2)n1 |r|
CC(C)[C@@H]1N(C(=O)NC1(C)C)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@@H]1N(C(=O)NC11CC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@@H]1N(C(=O)N(C)C11CC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@@H]1N(C(=O)NC1(C)C)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@@H]1N(C(=O)NC11CC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@@H]1N(C(=O)N(C)C11CC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@@H]1N(C(=O)NC11COC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
CC(C)[C@@H]1N(C(=O)NC11COC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@@H]1N(C(=O)N(C)C11COC1)c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(CC2)c2ccc(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r|
c1ccc(c(c1)[C@@H](C(=O)NC2CC(C2)(F)F)N(c3cc(cnc3)F)C(=O)[C@@H]4CCC(=O)N4c5cc(ccn5)C#N)Cl
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r|
CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)ncc1F |r|
C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r|
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(CC2CC2)N2CCN(CC2)C(=O)C=C)n1 |r,w:23.25|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CC[C@@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
CC[C@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r|
CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
C=CC(=O)N1CCN(C2CCCC/C=C/CN3C(=O)OCc4cnc(nc43)N[C@@H](C)c3ccc2cc3)CC1
C=CC(=O)N1CCN(C2CCCCCCCN3C(=O)OCc4cnc(nc43)N[C@@H](C)c3ccc2cc3)CC1
CSc1cccc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)n1
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S(C)=O)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(SC[C@H](N)C(=O)O)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(SSc3cccc(-c4nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n4)n3)n2)n1)C(F)(F)F
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(S(C)(=O)=O)n2)n1)C(F)(F)F
COc1ccc(Cc2cc(C)cc(=O)n2O)cc1
CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O
COc1cccc(Cc2cc(C)cc(=O)n2O)c1
Cc1cc(Cc2cccc(O)c2)n(O)c(=O)c1
COc1ccccc1Cc1cc(C)cc(=O)n1O
Cc1cc(Cc2ccccc2O)n(O)c(=O)c1
Cc1cc(Cc2cccc(F)c2)n(O)c(=O)c1
Cc1cc(Cc2c(F)c(F)c(F)c(F)c2F)n(O)c(=O)c1
Cc1cc(Cc2ccc(cc2)C#N)n(O)c(=O)c1
Cc1cc(Cc2cccc(c2)C#N)n(O)c(=O)c1
Cc1cc(Cc2cccc(c2)C(O)=O)n(O)c(=O)c1
Cc1cc(Cc2cccc(c2)C(N)=O)n(O)c(=O)c1
Cc1cc(Cc2ccc(cc2)C(F)(F)F)n(O)c(=O)c1
Cc1cc(C)cc(Cc2cc(C)cc(=O)n2O)c1
Cc1cc(Cc2ccsc2)n(O)c(=O)c1
Cc1cc(Cc2cccc(c2)-c2ccccc2)n(O)c(=O)c1
Cc1cc(Cc2ccc(Oc3ccccc3)cc2)n(O)c(=O)c1
Cc1cc(Cc2cccc3ccccc23)n(O)c(=O)c1
COc1ccc2c(Cc3cc(C)cc(=O)n3O)cccc2c1
Cc1cc(Cc2cccc3cc(O)ccc23)n(O)c(=O)c1
Cc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1
COc1ccc(cc1)-c1ccc(Cc2cc(C)cc(=O)n2O)cc1
Cc1cc(Cc2ccc(cc2)-c2ccc(O)cc2)n(O)c(=O)c1
COc1cccc(c1)-c1ccc(Cc2cc(C)cc(=O)n2O)cc1
Cc1cc(Cc2ccc(cc2)-c2cccc(O)c2)n(O)c(=O)c1
Cc1cc(Cc2cc(cc(c2)-c2ccccc2)-c2ccccc2)n(O)c(=O)c1
O=c1ccc(Cc2ccccc2)c[nH]1
Oc1ccc(Cc2ccccc2)cc1O
Oc1cnc(Cc2ccccc2)nc1O
Oc1coc(Cc2ccccc2)cc1=O
On1ccc(=O)n(Cc2ccccc2)c1=O
On1ccn(Cc2ccccc2)c1=O
Cc1cc(Cc2ccccc2)n(N)c(=O)c1
Cc1cc(Cc2ccccc2)oc(=O)c1
Cc1cc(Cc2ccccc2)oc(=S)c1
OC1C=CC(Cc2ccccc2)=CN1O |c:2,12|
On1c(Cc2ccccc2)cccc1=O
ONC(=O)c1cccc(=O)n1O
CC1=CC(=O)N(C(=C1)Cc2ccccc2)O
CC(C)c1cc(Cc2ccccc2)n(O)c(=O)c1
Oc1cc(Cc2ccccc2)n(O)c(=O)c1
On1cc(ccc1=O)C(=O)NCc1ccccc1
ONC(=O)c1ccc(=O)n(O)c1
On1cc(Oc2ccccc2)ccc1=O
On1cc(ccc1=O)-c1ccccc1
On1cc(CCc2ccccc2)ccc1=O
On1cc(CCCc2ccccc2)ccc1=O
On1cc(NC(=O)Cc2ccccc2)ccc1=O
On1c(cccc1=O)-c1ccccc1
CC(c1ccccc1)c1cccc(=O)n1O
On1c(CCc2ccccc2)cccc1=O
COC(=O)c1ccc(CCc2cccc(=O)n2O)cc1
CC1=CC(=O)N(C(=C1)C2CCCCC2)O
Cc1cc(COc2ccccc2)n(O)c(=O)c1
Cc1cc(C)n(O)c(=O)c1
Cc1ccn(O)c(=O)c1Cc1ccccc1
COc1cccc(Cc2c(C)ccn(O)c2=O)c1
Cc1ccn(O)c(=O)c1Cc1cccc(O)c1
COc1cc(Cc2ccccc2)n(O)c(=O)c1
OCc1cc(Cc2ccccc2)n(O)c(=O)c1
CC(=O)OCc1cc(Cc2ccccc2)n(O)c(=O)c1
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)C1CC1)c1ccc(CN2CCC(N)CC2)c(F)c1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)C1CC1)c1ccc(CN2CCC(O)(CC2)C(F)(F)F)cc1F |r|
C[C@H](Nc1nc(Cl)cc(n1)N1[C@H](COC1=O)C1CC1)c1cn(cn1)-c1ccc(F)cc1 |r|
C[C@H](Nc1nc(C)cc(n1)N1[C@H](COC1=O)C1CC1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
CCN1C(=S)N\C(=C\c2ccc(OC)nc2)C1=O
COc1ccc(\C=C2\SC(=S)NC2=O)cn1
O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1ccc(=O)[nH]c1
CN1C(=S)N\C(=C\c2ccc(o2)-c2ccc(F)c(F)c2)C1=O
COc1ccc(\C=C2\NC(=S)N(C)C2=O)cn1
CCN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O
Oc1ccc(CN2C(=S)N\C(=C\c3ccc(O)c(O)c3)C2=O)cc1
CN1C(=S)N\C(=C\c2cc[nH]c(=O)c2)C1=O
Oc1ccc(\C=C2\NC(=S)N(C2=O)c2ccccc2)cc1O
COc1cc(\C=C2\NC(=S)N(C)C2=O)ccn1
COc1ccc(\C=C2\NC(=S)N(Cc3ccccc3)C2=O)cn1
O=C1NC(=S)N\C1=C\c1ccnc(c1)-c1ccccc1
O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1cccnc1
Brc1cc(\C=C2\NC(=S)NC2=O)ccn1
O=C1NC(=S)N\C1=C\c1ccc(=O)[nH]c1
COc1cccc(\C=C2\NC(=S)N(C)C2=O)n1
CN1C(=S)N\C(=C\c2ccc[nH]c2=O)C1=O
COc1ccc(CN2C(=S)N\C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1
CN1C(=S)N\C(=C\c2ccncc2)C1=O
COc1ccc(\C=C2\NC(=S)N(C2=O)c2ccccc2)cc1OC
CN1C(=S)N\C(=C\c2cccc(=O)[nH]2)C1=O
CN1C(=S)N\C(=C\c2ccc(=O)n(O)c2)C1=O
COc1ccc(\C=C2\NC(=S)N(C)C2=O)c[n+]1[O-]
COc1ncccc1\C=C1\NC(=S)N(C)C1=O
OC(=O)CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O
COc1ccc(\C=C2\NC(=S)N(CC(O)=O)C2=O)cn1
CN1C(=S)N(C)\C(=C\c2ccc(=O)[nH]c2)C1=O
CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S
CN1C(=S)N\C(=C\c2ccc(=O)n(C)c2)C1=O
COc1ccc(\C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1OC
CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S
O=C1NC(=O)\C(N1)=C/c1ccc(=O)[nH]c1
COc1ccc(\C=C2\NC(=O)NC2=O)cn1
CSC1=N\C(=C\c2ccc(=O)[nH]c2)C(=O)N1 |t:2|
COc1ccc(\C=C2\NC(=S)NC2=O)cn1
NC1=N\C(=C\c2ccc(=O)[nH]c2)C(=O)N1 |t:1|
O=C1NC(=S)S\C1=C\c1ccc(=O)[nH]c1
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-c1c(-[#8]-[#6]-[#6]=[#6])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2cc(ccc2S1(=O)=O)C#Cc1cccc(F)c1 |r|
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2-c2ccncc2)-c2ccccc2)cc1
Nc1c(Cc2ccc(cc2)S(N)(=O)=O)c(nn1-c1nc(cs1)C(O)=O)-c1cccc(c1)-c1ccccc1
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2ccccc2)cc1
NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(Br)c2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(c2)-c2ccccc2F)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Nc2cn(nc2-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2-c2cccnc2)-c2ccccc2)cc1
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C(F)(F)F)-c2cccc(c2)-c2ccccc2)cc1
NS(=O)(=O)c1ccc(Cc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
NS(=O)(=O)c1ccc(Cc2cn(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
NS(=O)(=O)c1ccc(Nc2cn(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1
Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2ccc(F)c(F)c2)-c2nc(cs2)C(O)=O)cc1
Cc1ccccc1C(N(C(=O)Cc1cscn1)c1cccc(F)c1)C(=O)NC1CCCCC1
Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1
Cc1ccccc1C(N(C(=O)Cc1cccs1)c1cccc(F)c1)C(=O)NC1CCCC1
Cc1ccccc1C(N(C(=O)Cc1c[nH]c2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1
Cc1ccccc1C(N(C(=O)Cc1cccs1)c1cccc(F)c1)C(=O)NC1CCCCC1
Cc1ccccc1C(N(C(=O)Cn1ccc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1
Cc1nc2ccccc2n1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1
Cc1nccn1CC(=O)N(C(C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cc2C)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(C)(C)C)n1 |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1)[C@@H](C)F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(cn2)-c2ccc(F)c(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(C)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(c(C)n2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cc(C)c(cn1)-c1ccnc(c1)C(F)(F)F |r|
CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1cc(C)c(cn1)-c1ccnc(c1)C(F)(F)F |r|
Cc1cc(-c2ccccc2)n(O)c(=O)c1
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
C[C@H](Nc1ncc(F)c(n1)N1CCOC1=O)c1cn(cn1)-c1ccc(Cl)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(no2)-c2ccccc2Cl)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r|
CC[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)ncc1F |r|
C[C@H](Nc1ncc(F)c(n1)N1[C@@H](C)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3ccc(F)cc3)cn2)n1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cc(Cl)ccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N)[C@]1(CCc2cccc(Cl)c12)C(=O)NC1CC(F)(F)C1 |r|
CS(=O)(=O)c1ccnc(c1)N1[C@@H](CCC1=O)C(=O)N(c1cc(F)cc(F)c1)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
FC1(F)CC(C1)NC(=O)[C@@]1(CCc2ccccc12)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1cccc(Cl)c1 |r|
Fc1cncc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1COC(=O)N1c1nccc(n1)C#N)[C@]1(CCc2cccc(Cl)c12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
COc1ccnc(c1)N1[C@@H](CCC1=O)C(=O)N(c1cc(F)cc(F)c1)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cnccn1)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1ccccn1)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cccc(Cl)c12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2c1cccc2Cl)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cccc(F)c12)C(=O)NC1CC(F)(F)C1 |r|
Fc1ccc2CC[C@@](N(C(=O)[C@@H]3CCC(=O)N3c3cc(ccn3)C#N)c3cccc(F)c3)(C(=O)NC3CC(F)(F)C3)c2c1 |r|
Fc1cc(ccc1Cl)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1ccc(cc1F)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1ccc(F)c(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
FC1(F)CC(C1)NC(=O)[C@@]1(CCc2ccccc12)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)c1ccccc1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CCCCC1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NCC1CCC(F)(F)CC1 |r|
Fc1cncc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cccc(Cl)c12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2c1cccc2F)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cccc(c1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2c1cccc2Cl)C(=O)NC1CC(F)(F)C1 |r|
Fc1ccc2c(CC[C@@]2(N(C(=O)[C@@H]2CCC(=O)N2c2cc(ccn2)C#N)c2cccc(F)c2)C(=O)NC2CC(F)(F)C2)c1 |r|
Fc1cccc(N(C(=O)[C@@H]2CCC(=O)N2c2cc(ccn2)C#N)[C@]2(CCc3ccccc23)C(=O)NC2CC(F)(F)C2)c1F |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CCOCC1 |r|
Fc1cncc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(Cc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1COC(=O)N1c1nccc(n1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)Nc1ccccc1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NCC1CC1 |r|
Fc1cccc(c1)N(C(=O)[C@@H]1CCCN1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
Fc1cc(Cl)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1 |r|
C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12 |r|
Fc1cncc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Cc2cc(ccc2S1(=O)=O)C#Cc1cccc(F)c1 |r|
CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3
COC(=O)C1C(C)CC2=C(C(Nc3ccccc3N2)c2c[nH]c3ccccc23)C1=O |t:8|
Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Cc1nccn1CC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1 |r|
O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1nccc(n1)C#N |r|
NS(=O)(=O)c1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)c1cccc(F)c1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCCN1c1ncccn1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1ncccn1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(F)ccn1 |r|
O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1cc(ccn1)C#N |r|
COC(=O)N1CCC[C@H]1CC(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1 |r|
[H][C@]12CC[C@]([H])(C1)C(=O)N2c1nc(N[C@@H](C)c2nc(no2)-c2ccc(Cl)cc2)ncc1F |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)N1c1cc(ccn1)C#N |r|
CC(C)N1C(=O)OCc2cnc(N[C@H](C)c3ccc(CN4CC5(C4)CN(C5)C(=O)C=C)cc3)nc12 |r|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(F)cnc2Nc2cc(F)c(cc12)N1C[C@@H]2C[C@H]1CO2 |r,wU:31.35,33.36,7.10,wD:4.3,(6.54,2.79,;6.19,4.29,;7.32,5.34,;4.72,4.74,;3.59,3.7,;2.12,4.15,;.99,3.1,;1.34,1.6,;2.81,1.15,;3.94,2.2,;.21,.55,;-1.26,1.01,;.55,-.95,;2.05,-1.29,;2.72,-2.68,;4.25,-2.56,;5.12,-3.83,;6.66,-3.72,;4.45,-5.22,;2.92,-5.34,;2.05,-4.07,;.55,-4.41,;-.65,-3.45,;-1.99,-4.22,;-3.32,-3.45,;-4.66,-4.22,;-3.32,-1.91,;-1.99,-1.14,;-.65,-1.91,;-4.66,-1.14,;-4.66,.4,;-5.99,1.17,;-6.24,-.37,;-5.99,-1.91,;-7.32,-1.14,;-7.32,.4,)|
CCOc1ccc(cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCN[C@H](C)C1)N(CC)CC |r,wU:38.42,(8.85,-9.43,;10.18,-10.2,;11.52,-9.43,;12.85,-10.2,;12.85,-11.74,;14.18,-12.51,;15.52,-11.73,;15.51,-10.2,;14.19,-9.43,;14.19,-7.89,;15.52,-7.13,;16.85,-7.9,;17.23,-9.38,;16.47,-10.6,;18.86,-9.85,;15.52,-5.59,;14.19,-4.81,;12.86,-5.59,;11.52,-4.83,;10.11,-5.46,;9.08,-4.32,;9.84,-2.98,;11.35,-3.3,;7.55,-4.48,;6.64,-3.24,;5.12,-3.4,;4.49,-4.81,;2.96,-4.98,;5.41,-6.06,;6.94,-5.89,;12.86,-7.13,;11.52,-7.9,;16.85,-4.83,;16.86,-3.29,;18.18,-5.6,;18.17,-7.14,;19.49,-7.92,;20.83,-7.16,;20.84,-5.61,;22.18,-4.85,;19.51,-4.83,;16.86,-12.5,;16.86,-14.04,;18.2,-14.8,;18.19,-11.72,;19.52,-12.49,)|
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-n1ccc(n1)C(F)(F)F)C1CC1 |r|
COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
COC(=O)Nc1ccnc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)n1 |r|
CCc1ccc(Cl)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.26,-23.79,;54.6,-23.02,;55.93,-23.79,;55.93,-25.33,;57.26,-26.1,;58.6,-25.32,;59.94,-26.09,;58.6,-23.79,;57.27,-23.02,;57.27,-21.48,;58.6,-20.72,;59.93,-21.49,;60.32,-22.97,;59.55,-24.19,;61.94,-23.44,;58.6,-19.18,;57.27,-18.4,;55.94,-19.18,;54.6,-18.42,;53.19,-19.05,;52.16,-17.91,;52.93,-16.57,;54.43,-16.89,;50.63,-18.07,;49.73,-16.83,;48.2,-16.99,;47.57,-18.4,;46.04,-18.57,;48.49,-19.65,;50.02,-19.48,;55.94,-20.72,;54.61,-21.49,;59.93,-18.41,;59.94,-16.87,;61.26,-19.19,;61.25,-20.73,;62.57,-21.5,;63.91,-20.74,;63.92,-19.2,;62.59,-18.42,)|
CCOc1ccc(Cl)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c1=O)C(=O)N1CCN[C@H](C)C1 |r,wU:42.46,(52.26,-37.58,;53.6,-38.35,;54.93,-37.58,;56.26,-38.35,;56.26,-39.89,;57.6,-40.66,;58.94,-39.88,;60.27,-40.65,;58.93,-38.35,;57.6,-37.58,;57.6,-36.04,;58.93,-35.28,;60.26,-36.05,;60.65,-37.53,;59.88,-38.75,;62.28,-38,;58.93,-33.74,;57.6,-32.96,;56.27,-33.74,;54.93,-32.98,;53.53,-33.61,;52.49,-32.47,;53.26,-31.13,;54.77,-31.45,;50.97,-32.63,;50.06,-31.39,;48.53,-31.55,;47.91,-32.96,;48.83,-34.21,;50.35,-34.04,;46.38,-33.13,;44.98,-33.29,;45.23,-32,;45.5,-34.48,;56.27,-35.28,;54.94,-36.05,;60.27,-32.97,;60.27,-31.43,;61.6,-33.75,;61.58,-35.29,;62.91,-36.06,;64.25,-35.3,;64.26,-33.76,;65.6,-33,;62.92,-32.98,)|
COC(=O)C1[C@@H](C)CC2=C([C@@H](Nc3ccccc3N2)c2c[nH]c3ccccc23)C1=O |r,t:8|
[H][C@@]1(COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)nc2[nH]ccc12)[C@H](C)F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@H](C)c2cc(C)c(cn2)-c2ccnc(c2)C(F)(F)F)nc2[nH]ccc12 |r|
C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)c(C)cc12 |r|
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O |r|
COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N |r|
COc1cc(N[C@@H](C)c2cc3cc(Cl)c(OCCn4ccnc4C)cc3[nH]c2=O)ccc1C#N |r|
COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ncc(C#N)c(OC)n1 |r|
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
C[C@H](Nc1ncc(C#N)c(N)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
FC(F)(F)c1csc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
CNS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cscn1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N |r|
Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C1CN(CC(=O)N1c1cc(ccn1)C#N)C1CC1 |r|
OC[C@H](Nc1ncccn1)C(=O)N([C@@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1 |r|
C[C@H](Nc1nccc(n1)N1C(=O)CCC1(C)C)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1nccc(n1)N1[C@H](Cc2ccccc2)[C@H](O)CC1=O)c1cn(cn1)-c1ccc(Cl)cc1 |r|
C[C@H](Nc1ncc(F)c(n1)N1C(CCC1=O)c1nc(C)no1)c1nc(no1)-c1ccc(Cl)cc1 |r|
CC(C)N1C(=O)OCc2cnc(N[C@H](C)c3ccc(CN4CCN(CC4)C(=O)C=C)cc3)nc12 |r|
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(CCC4CN(C4)C(=O)C=C)cc3)nc12 |r|
CC(C)CN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(CN4CCN(CC4)C(=O)C=C)cc3)nc12 |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)[C@@H](C)O |r|
Cn1nccc1-c1cc2N(Cc3cc(F)cnc3Nc2cc1F)C(=O)C1CCN(CC(F)(F)F)CC1
Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 |r,THB:37:38:33.32:35.30|
Cn1nc(C2=C(C(=O)NC2=O)C2=CN(CCCn3ccnc3)C3C=C(F)C=CC23)c2cccnc12 |c:28,t:4,12,25|
Fc1cccc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)CNS(=O)(=O)N1CC1
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
COCCO[C@H]1CC([C@@H](C1)C(=O)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)c1cccc(F)c1)C(=O)OC |r|
CC(C)CN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(COC4CN(C4)C(=O)C=C)cc3)nc12 |r|
Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1CC2(C1)CCCOC2
[H][C@]1(COC(=O)N1c1nc(N[C@H](C)c2cn(cn2)-c2ccc(F)cc2)nc2ccsc12)[C@H](C)O |r|
CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r|
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r|
CC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C |r|
CC(C)(C)C(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn2ccnc2)c1
COc1cc2n([C@@H]3C[C@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1CCC(O)=O |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N |r|
C[C@@H](Nc1nc(N2[C@H](COC2=O)c2ccccc2)c2cn[nH]c2n1)c1cn(cn1)-c1ccc(Cl)cc1 |r|
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r|
C[C@H](Nc1nccc(n1)N1[C@@H](Cc2ccccc2)[C@@H](O)CC1=O)c1cc(on1)-c1ccc(Cl)cc1 |r|
CC(C)N1C(=O)OCc2cnc(N[C@@H](C)c3ccc(OCC4CN(C4)C(=O)C=C)cc3)nc12 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
Cn1c(ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O)C(F)(F)F
COc1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
CCn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
Clc1ccc2[nH]c(=O)c(CNc3cccn(C4CC4)c3=O)cc2c1
CN1CCCC(NCc2cc3cc(Cl)ccc3[nH]c2=O)C1=O
Clc1ccc2[nH]c(=O)c(CNc3ccc([nH]c3=O)C#N)cc2c1
COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)n(C)c1=O |r|
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(F)cc2[nH]c1=O |r|
Cn1c(ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O)C#N
Cn1cccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(C=CC(=O)[C@H]2C)c1ccccc1 |r,c:21|
c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2
C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
[H][C@@]12CCc3cncnc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 |r,t:13|
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(CC(C#N)C(=O)[C@H]2C)c1ccccc1 |r|
[H][C@@]12CCc3c[nH]nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 |r,t:12|
[H][C@@]12CCc3c[nH]nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1cccc(c1)C(O)=O |r,t:12|
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1cccc(c1)C(O)=O |r,t:21|
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@@]1(C)C=C(C#N)C(=O)[C@H]2C |r,t:22|
[H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 |r,t:21|
[H][C@@]12CCc3cn(nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1)C(=O)c1ccccc1 |r,t:12|
[H][C@@]12CCc3cnc(Nc4cccnc4)nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 |r,t:21|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1cc(Cl)nc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(Cl)cc(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccccc2C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(F)cc(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2ncn(n2)-c2cccc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2ncn(c2Cl)-c2cccc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2ncn(c2C#N)-c2cccc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(cc2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cccc(n2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccnc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1nc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)ncc1F)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CCC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(Cl)cc2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2ncn(c2C)-c2cccc(c2)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cc(ccn2)C(F)(F)F)n1)[C@H](C)F |r|
CC(F)(F)[C@H]1COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2ccc(F)c(Cl)c2)n1 |r|
[H][C@@]1(COC(=O)N1c1ccnc(NC2(CC2)c2cn(cn2)-c2cncc(c2)C(F)(F)F)n1)[C@H](C)F |r|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Cl)ccc23)c2cccnc12 |t:4|
Cc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ccncc12 |c:5|
COc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:22|
Cc1cccc2c(cn(CCCn3ccnc3)c12)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cccc(Br)c23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(Br)ccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(F)cc23)c2cccnc12 |t:4|
CCCCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:7|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2cccnc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2nn(CCCn3ccnc3)c3ncccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ccccc12 |t:4|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1cnc2ccccc12 |c:5|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1nnc2ccccc12 |c:5|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1cccc2ccccc12 |c:5|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ccccc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3cc(F)ccc23)c2cccnc12 |t:4|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3cncn3)c3ccccc23)c2cccnc12 |t:4|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2cnccc12 |c:5|
Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccc(Br)cc23)c2cccnc12 |t:4|
CN1C(=O)C(=C(C1=O)c1nn(C)c2ncccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:4|
O=C1NC(=O)C(=C1c1coc2ncccc12)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)c1ccccc1 |c:5|
CCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:5|
O=C1NC(=O)C(=C1c1cc[nH]c1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3nn(C)c4ncccc34)c2c1 |t:18|
[H][C@]12O[C@]([H])(c3c1c(C)c(O)c(OC)c3O)[C@@]1([H])C(=O)[C@H](O)CC\C(C)=C\[C@@]3([H])C=C(C)[C@@H](C)[C@@]4([H])[C@H](CC(C)C)NC(=O)[C@@]34C(=O)[C@]21[H] |r,t:27,31|
[H][C@]12[C@H](CC(C)C)NC(=O)[C@@]11[C@]([H])(C=C(C)[C@H]2C)[C@@]2([H])C(=C)CC[C@@H](O)[C@@]22CC[C@]1(O)O2 |r,t:14|
[H][C@@]12O[C@@]([H])(c3c1c(C)c(O)c(OC)c3O)[C@@]1([H])C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C(C)=C[C@]4([H])\C=C(C)\CC[C@@H](O)C(=O)[C@]21[H] |r,c:37,42|
[H][C@]12O[C@]([H])(c3c1c(C)c(O)c(O)c3O)[C@@]1([H])C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C(C)=C[C@]4([H])\C=C(C)\CC[C@@H](O)C(=O)[C@]21[H] |r,c:36,41|
[H][C@]12O[C@]([H])(c3c1c(C)c(O)c(OC)c3O)[C@@]1([H])C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C(C)=C[C@]4([H])\C=C(C)\CC[C@@H](O)C(=O)[C@]21[H] |r,c:37,42|
[H][C@@]12O[C@@]([H])(c3c1c(C)c(O)c(OC)c3O)[C@@]1([H])C(=O)[C@H](O)CC\C(C)=C\[C@@]3([H])C=C(C)[C@@H](C)[C@@]4([H])[C@H](CC(C)C)NC(=O)[C@@]34C(=O)[C@]21[H] |r,t:27,31|
[H][C@]12O[C@]([H])(c3c1c(O)c(O)c(O)c3C)[C@@]1([H])C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C(C)=C[C@]4([H])\C=C(C)\CC[C@@H](O)C(=O)[C@]21[H] |r,c:36,41|
[H][C@]12[C@H](CC(C)C)NC(=O)[C@@]11[C@]([H])(C=C(CO)[C@H]2C)[C@]2([H])[C@]3(CC[C@]1(O)O3)CCC[C@@]2(C)O |r,t:14|
[H][C@@]12O[C@@]([H])(c3c1c(O)c(O)c(O)c3C)[C@@]1([H])C(=O)[C@@]34C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C(C)=C[C@]4([H])\C=C(C)\CC[C@@H](O)C(=O)[C@]21[H] |r,c:36,41|
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r|
CC(C)Nc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r|
FC1(F)CCC(CC1)Nc1nc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1
CCC(Nc1nc(NC(CC)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1
CC(C)(O)CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1
FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1
CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O
c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O
Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1
Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r|
COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
COc1nc(ccc1N[C@@H](C)c1cc2cc(Cl)ccc2[nH]c1=O)C#N |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(F)cc3[nH]c2=O)ncc1C#N |r|
COc1cc(NCc2cnc3ccccc3c2)ccc1-n1cnnn1
Clc1ccc2[nH]c(=O)c(CNc3ccc(cc3)-n3ccnc3)cc2c1
COc1cc(NCc2cc3cc(Cl)c(OC4CCN(C)CC4)cc3[nH]c2=O)ccc1C#N
COc1cc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N |r|
CCOc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCC4CCCCN4C)cc3[nH]c2=O)ccc1C#N
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N |r|
COc1cc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2cc1Cl
COc1cc(NCc2cc3cc(Cl)cc(OC)c3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCCN4CCOCC4)cc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)cc(OCCN4CCOCC4)c3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCCN4CCCC4=O)cc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCCN(C)C)cc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OCc4cc(C)n(C)n4)cc3[nH]c2=O)ccc1C#N
C[C@H](Nc1ncc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(cc3[nH]c2=O)C2CC2)ncc1C#N |r|
Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N
C[C@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N |r|
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCc4ccccn4)cc3[nH]c2=O)ncc1C#N |r|
COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1
COc1cc(NCc2cc3cc(C)ccc3[nH]c2=O)ccc1-n1cnnn1
COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1-n1cnnn1
COc1cc(NCc2cc3ccccc3[nH]c2=O)ccc1-n1cnnn1
COc1cc(NCc2cc3cc(Cl)ccc3n(C)c2=O)ccc1-n1cnnn1
Cc1cc2cc(CNc3ccc(cc3)-n3cnnn3)c(=O)[nH]c2cc1C
Clc1ccc2[nH]c(=O)c(CNCc3ccc(cc3)C#N)cc2c1
Clc1ccc2[nH]c(=O)c(CNc3cccc(c3)C#N)cc2c1
Clc1ccc2[nH]c(=O)c(CNc3ccc(cn3)C#N)cc2c1
Cc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Cc1nnnn1-c1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc1
Clc1ccc2[nH]c(=O)c(CNc3ccc(cc3)-c3csnn3)cc2c1
Clc1ccc2[nH]c(=O)c(CNc3ccc(cc3)N3CCOCC3)cc2c1
COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1S(C)(=O)=O
FC(F)(F)Oc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Fc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
FC(F)(F)c1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
FC(F)(F)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Clc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(Cl)n3)cc2c1
COc1cc(NCc2cc3cc(ccc3[nH]c2=O)C(F)(F)F)ccc1C#N
COc1cc(NCc2cc3cc(F)ccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3ccccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)cc(OCc4ccccn4)c3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Cl)c(OC[C@@H]4CCCN4C)cc3[nH]c2=O)ccc1C#N |r|
CC(Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O
C[C@@H](Nc1ccc(C#N)c(C)n1)c1cc2cc(Cl)ccc2[nH]c1=O |r|
Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1
COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc(OC)c1C#N
COc1cccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c1
Clc1ccc2[nH]c(=O)c(CNc3ccc(cc3)C#N)cc2c1
Cc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N
CNC(=O)c1ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)cc1
Oc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(Br)ccc3[nH]c2=O)ccc1C#N
Cc1nc(NC(C)(C)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cccc1
COc1cc(ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O)C#N
COc1ccc2[nH]c(=O)c(CNc3ccc(C#N)c(OC)c3)cc2c1
COc1cc(NCc2cc3ccc(C)cc3[nH]c2=O)ccc1-n1cnnn1
COc1cc(NCc2cc3cc(ccc3[nH]c2=O)C(C)(C)C)ccc1C#N
Cc1nc(NC2(CC2)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Cc1cccnc1C(N1CCOCC1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CN1CCN(CC1)C(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CC1)c1ccccc1)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(OC1CCCCC1)c1ccccn1
CC(C)N1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCOCC1)c1ccccn1
Cc1cccc(n1)C(N1CCOCC1)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCOCC1)c1cccc(F)c1
CC(C)(C)N1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CC1)C1CCCCC1)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CC2CC2)CC1)c1ccccn1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(SC1CCCCC1)c1ccccn1
CN1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
CCCCN1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(N1CCOCC1)c1ccccn1
CCN1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2C(C)Cc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
C[C@H](Nc1nccc(n1)N1[C@H](COC1=O)c1ccccc1)c1ncn-2c1CCc1cc(ccc-21)C(F)(F)F |r|
[H][C@@]1(COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2ccc(cc-32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1 |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2COc2cc(Cl)ccc-32)n1)[C@H](C)F |r|
C[C@H](Nc1nccc(n1)N1CC2(CC2)OC1=O)c1ncn-2c1CCc1cc(ccc-21)C(F)(F)F |r|
CC(C)[C@@H]1N(C(=O)OC1(C)C)c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1 |r|
C[C@H](Nc1nccc(n1)N1[C@@H](c2ccccc2)C2(COC2)OC1=O)c1ncn-2c1CCc1cc(ccc-21)C(F)(F)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(F)ccc-32)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(C)ccc-32)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2COc2cc(OC)ccc-32)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2c(Cl)cccc-32)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CSc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn3c2sc2cc(ccc32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(Cl)ccc-32)n1)[C@H](C)F |r|
CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1 |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2COc2cc(ccc-32)C#N)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2COc2cc(ccc-32)C2CC2)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CC(C)c2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2COc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1nc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)ncc1F)[C@H](C)F |r|
[H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ncn-3c2CCCc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Brc1ccc2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
Fc1ccc2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NC2CC2)c1
Brc1ccc2nc(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)[nH]c2c1Br
Cc1cc(C)c2[nH]c(Nc3cc(ccc3-c3ccsc3)S(=O)(=O)NC3CC3)nc2c1
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(NC(=O)C2CCCCC2)c(OCCC(C)C)n1 |r|
CC(C)CCSc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:30.34,TLB:14:15:17:25.24.22,23:22:17.18.19:15,THB:23:22:17:19.20.15,24:18:15:25.22.21,24:22:17.18.19:15,21:22:17:19.20.15,21:20:17:25.24.22,(12.96,-4.86,;11.61,-5.61,;10.3,-4.81,;11.57,-7.15,;10.22,-7.89,;10.19,-9.43,;8.84,-10.17,;7.52,-9.36,;6.18,-10.1,;6.13,-11.64,;7.45,-12.44,;8.81,-11.7,;10.13,-12.51,;10.09,-14.05,;11.48,-11.76,;12.79,-12.56,;12.81,-13.96,;11.68,-15.17,;13.1,-14.77,;13.08,-13.28,;14.06,-12.11,;15.38,-12.64,;15.38,-14.09,;16.83,-14.02,;14.43,-15.3,;14.06,-14.43,;4.86,-9.3,;3.51,-10.05,;2.18,-9.24,;2.22,-7.7,;3.57,-6.97,;3.61,-5.43,;2.3,-4.62,;2.33,-3.08,;.94,-5.36,;4.89,-7.76,)|
OC(=O)C[C@H]1CCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCCC2)n1 |r,wD:4.3,TLB:15:16:18:26.25.23,16:17:25:22.21.20,THB:24:23:18:21.16.20,22:21:18:26.25.23,22:23:18:21.16.20,16:21:25:26.18.17,(11.07,-25.08,;11.66,-26.48,;10.75,-27.68,;13.17,-26.67,;13.76,-28.06,;12.96,-29.39,;13.97,-30.56,;15.4,-29.95,;15.27,-28.41,;16.73,-30.75,;16.68,-32.3,;18,-33.1,;19.36,-32.35,;20.69,-33.17,;20.65,-34.72,;22.05,-32.43,;23.36,-33.23,;23.38,-34.63,;22.25,-35.85,;23.68,-35.45,;23.66,-33.95,;24.63,-32.77,;25.97,-33.31,;25.97,-34.76,;27.42,-34.69,;25.01,-35.97,;24.64,-35.1,;19.39,-30.82,;20.75,-30.07,;20.78,-28.53,;19.46,-27.73,;19.5,-26.18,;20.86,-25.44,;22.18,-26.24,;22.15,-27.78,;18.07,-30.01,)|
OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCC2)n1 |r,TLB:15:16:18:26.25.23,24:23:18.19.20:16,THB:25:19:16:26.23.22,25:23:18.19.20:16,24:23:18:20.21.16,22:23:18:20.21.16,22:21:18:26.25.23|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SCCC(C)C)n1 |r,wD:5.6,1.0,7.9,TLB:17:18:20:27.28.25,26:25:18:20.21.22,THB:27:25:18:20.21.22,27:21:18:28.25.24,26:25:20:18.23.22,24:25:20:18.23.22,24:23:20:27.28.25,(34.39,-33.02,;34.79,-31.53,;35.81,-32.71,;37.23,-32.09,;37.1,-30.56,;35.59,-30.21,;36.36,-28.87,;34.04,-30.18,;32.75,-29.39,;32.78,-27.87,;31.41,-30.12,;38.56,-32.89,;38.51,-34.44,;39.84,-35.24,;41.2,-34.5,;42.53,-35.31,;42.49,-36.86,;43.86,-34.57,;45.18,-35.36,;45.19,-36.77,;44.06,-37.99,;45.49,-37.59,;45.46,-36.08,;46.45,-34.92,;47.79,-35.45,;47.78,-36.9,;49.22,-36.83,;46.81,-38.12,;46.45,-37.24,;41.24,-32.96,;42.59,-32.21,;42.62,-30.67,;43.89,-29.79,;45.26,-30.44,;46.51,-29.57,;45.38,-31.95,;39.91,-32.15,)|
CC(C)CCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCCC2CC2)n1 |r|
CC(C)(C)CCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCC2CCCCC2)n1 |r|
CC1(C)CC(C1)Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OC2CCCC2)n1 |r|
CC(C)CC(C)Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CCCCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCCCC(F)(F)F)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OC2CCCCC2)n1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1nc(ccc1-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6]-1 |r|
CC1CC1COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CCCC(C)Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CCC(C)COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CC(C)COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CCC(C)(C)Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCC2CCC2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCC2CC2)n1 |r|
CC(Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)C1CC1 |r|
COCCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OC2CCOCC2)n1 |r|
CCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CN(C)CCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OC2CCC2)n1 |r|
CCC(C)Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2)n1 |r|
Cc1ccccc1COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
Cc1cccc(COc2nc(ccc2C(=O)NC2CCCCC2)N2CCC[C@@H](CC(O)=O)C2)c1 |r|
Cc1ccc(COc2nc(ccc2C(=O)NC2CCCCC2)N2CCC[C@@H](CC(O)=O)C2)cc1 |r|
COc1ccccc1COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
COc1cccc(COc2nc(ccc2C(=O)NC2CCCCC2)N2CCC[C@@H](CC(O)=O)C2)c1 |r|
COc1ccc(COc2nc(ccc2C(=O)NC2CCCCC2)N2CCC[C@@H](CC(O)=O)C2)cc1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2F)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2cccc(F)c2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccc(F)cc2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2Cl)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2cccc(Cl)c2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccc(Cl)cc2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCCc2ccccc2)n1 |r|
C[C@@H](Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)c1ccccc1 |r|
C[C@H](Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)c1ccccc1 |r|
C[C@@H](Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)c1ccccc1C |r|
Cc1cc(Cl)ccc1COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
CC(C)CCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(SCc2ccccc2)n1 |r|
Cc1ccccc1CSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(SCc2ccccc2F)n1 |r|
CC(C)CCNc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(NC2CCCC2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(NCC2CCCCC2)n1 |r|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(NCc2ccccc2)n1 |r|
Cc1ccccc1CNc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(9.63,-13.64,;10.26,-12.24,;11.72,-12.71,;12.63,-11.47,;11.72,-10.22,;10.26,-10.7,;9.63,-9.29,;8.92,-11.47,;7.38,-11.47,;6.61,-12.8,;6.61,-10.13,;14.16,-11.47,;14.93,-10.13,;16.48,-10.13,;17.25,-11.47,;18.79,-11.47,;19.56,-12.8,;19.56,-10.13,;20.96,-9.75,;22.04,-10.63,;22.26,-12.27,;22.85,-10.92,;24.1,-10.23,;23.78,-8.73,;23.2,-9.95,;22.67,-7.81,;21.41,-8.48,;21.69,-9.97,;16.48,-12.8,;17.25,-14.14,;18.79,-14.14,;19.56,-15.47,;18.79,-16.8,;19.56,-18.13,;17.25,-16.8,;14.93,-12.8,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(=O)OCC)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:24:23:30:26.25.20,24:25:30:22.29.23,THB:29:27:20:22.23.24,29:23:30.27.26:20,28:27:20:22.23.24,19:20:30:22.29.23,(9.63,-13.64,;10.26,-12.24,;11.72,-12.71,;12.63,-11.47,;11.72,-10.22,;10.26,-10.7,;9.63,-9.29,;8.92,-11.47,;7.38,-11.47,;6.61,-10.13,;6.61,-12.8,;5.07,-12.8,;4.3,-14.14,;14.16,-11.47,;14.93,-10.13,;16.48,-10.13,;17.25,-11.47,;18.79,-11.47,;19.56,-12.8,;19.56,-10.13,;20.96,-9.75,;22.04,-10.63,;23.2,-9.95,;23.78,-8.73,;22.67,-7.81,;21.41,-8.48,;21.69,-9.97,;22.85,-10.92,;23.87,-11.94,;24.1,-10.23,;22.26,-12.27,;16.48,-12.8,;17.25,-14.14,;18.79,-14.14,;19.56,-15.47,;18.79,-16.8,;19.56,-18.13,;17.25,-16.8,;14.93,-12.8,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(C4)(C3)OC)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:22:21:27:24.23.18,22:23:27:20.26.21,THB:26:25:18:20.21.22,26:21:27.25.24:18,28:25:18:20.21.22,17:18:27:20.26.21,(13.54,-13.37,;14.16,-11.97,;15.62,-12.44,;16.53,-11.2,;15.62,-9.95,;14.16,-10.43,;13.54,-9.02,;12.83,-11.2,;11.29,-11.2,;10.52,-12.53,;10.52,-9.86,;18.07,-11.2,;18.84,-9.86,;20.38,-9.86,;21.15,-11.2,;22.69,-11.2,;23.46,-12.53,;23.46,-9.86,;24.86,-9.47,;25.95,-10.36,;27.1,-9.68,;27.68,-8.46,;26.57,-7.54,;25.32,-8.21,;25.59,-9.7,;26.75,-10.65,;28,-9.96,;26.16,-11.99,;27.77,-11.67,;27.4,-13.07,;20.38,-12.53,;21.15,-13.86,;22.69,-13.86,;23.46,-15.2,;22.69,-16.53,;23.46,-17.86,;21.15,-16.53,;18.84,-12.53,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.30.27:22.23.24,18:20:24:26.27.29,30:27:20.21.22:24,THB:29:27:20:22.23.24,29:23:20:26.30.27,30:21:24:26.27.29,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;23.24,-9.5,;21.72,-7.61,;20.83,-10.42,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(C4)(C3)OC(F)F)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.29.27:22.23.24,18:20:24:26.27.28,29:27:20.21.22:24,THB:28:27:20:22.23.24,28:23:20:26.29.27,29:21:24:26.27.28,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;21.72,-7.61,;20.83,-10.42,;23.24,-9.5,;24.31,-8.42,;25.79,-8.81,;23.91,-6.95,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(O)c2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCCc2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(CO)c2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2CCCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(c2)B(O)O)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccnc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2ccc(O)cc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2ccc(CO)cc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(c2)C(N)=O)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccncc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccc(O)c2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccc(Cl)c2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccc(O)cc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2CCC(O)CC2)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,(10.96,-14.08,;11.58,-12.68,;13.05,-13.15,;13.96,-11.91,;13.05,-10.66,;11.58,-11.14,;10.96,-9.73,;10.25,-11.91,;8.71,-11.91,;7.94,-13.24,;7.94,-10.57,;15.49,-11.91,;16.26,-10.57,;17.8,-10.57,;18.57,-11.91,;20.11,-11.91,;20.88,-13.24,;20.88,-10.57,;22.28,-10.19,;23.31,-11.21,;24.7,-10.82,;25.07,-9.42,;26.47,-9.04,;24.04,-8.4,;22.63,-8.78,;17.8,-13.24,;18.57,-14.57,;20.11,-14.57,;20.88,-15.91,;20.11,-17.24,;20.88,-18.57,;18.57,-17.24,;16.26,-13.24,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N(C)Cc2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2CCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N(C)C2CCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2CC3CCC2C3)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(OCCC(C)C)n1 |r|
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:30.34,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:23:22:15:17.18.19,23:22:15.16.17:19,25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,(20.88,-20.94,;19.54,-20.18,;18.21,-20.97,;19.52,-18.64,;18.17,-17.89,;18.15,-16.34,;16.8,-15.59,;15.48,-16.38,;14.13,-15.63,;14.12,-14.08,;15.44,-13.29,;16.79,-14.05,;18.11,-13.26,;18.09,-11.72,;19.46,-14.01,;20.7,-13.26,;22.12,-12.86,;22.12,-11.36,;23.1,-10.2,;21.83,-10.65,;21.83,-12.05,;23.09,-12.51,;24.41,-12.19,;25.86,-12.13,;24.42,-10.74,;23.45,-13.39,;12.81,-16.42,;12.83,-17.96,;11.5,-18.75,;10.16,-18,;10.14,-16.45,;8.79,-15.7,;7.47,-16.49,;6.12,-15.73,;7.49,-18.03,;11.47,-15.66,)|
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CC[C@H](CC(O)=O)C1 |r,wD:29.33,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21.01,-19.69,;19.66,-18.93,;18.33,-19.72,;19.64,-17.39,;18.3,-16.63,;18.28,-15.09,;16.92,-14.34,;15.6,-15.13,;14.25,-14.37,;14.24,-12.83,;15.56,-12.04,;16.91,-12.79,;18.23,-12,;18.21,-10.46,;19.58,-12.76,;20.83,-12,;22.25,-11.6,;22.24,-10.11,;23.23,-8.94,;21.95,-9.39,;21.96,-10.8,;23.21,-11.26,;24.53,-10.93,;25.99,-10.87,;24.54,-9.49,;23.58,-12.14,;12.93,-15.16,;12.79,-16.7,;11.29,-17.04,;10.5,-15.72,;8.97,-15.58,;8.08,-16.84,;6.55,-16.71,;8.73,-18.24,;11.52,-14.56,)|
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC(CC1)C(O)=O |TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21,-19.68,;19.66,-18.92,;18.33,-19.71,;19.63,-17.38,;18.29,-16.63,;18.27,-15.08,;16.92,-14.33,;15.6,-15.12,;14.25,-14.37,;14.23,-12.82,;15.55,-12.03,;16.9,-12.79,;18.22,-12,;18.2,-10.45,;19.58,-12.75,;20.82,-12,;22.24,-11.6,;22.23,-10.1,;23.22,-8.94,;21.94,-9.39,;21.95,-10.79,;23.21,-11.25,;24.53,-10.93,;25.98,-10.87,;24.54,-9.48,;23.57,-12.13,;12.92,-15.16,;11.58,-14.4,;10.26,-15.18,;10.28,-16.72,;11.62,-17.48,;12.95,-16.69,;8.95,-17.51,;7.61,-16.75,;8.97,-19.05,)|
CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)-c1ccc(cc1)C(O)=O |TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21.68,-17.87,;20.33,-17.12,;19,-17.91,;20.31,-15.57,;18.97,-14.82,;18.95,-13.28,;17.59,-12.52,;16.27,-13.31,;14.92,-12.56,;14.91,-11.02,;16.23,-10.23,;17.58,-10.98,;18.9,-10.19,;18.88,-8.65,;20.25,-10.94,;21.5,-10.19,;22.92,-9.79,;22.91,-8.3,;23.89,-7.13,;22.62,-7.58,;22.63,-8.98,;23.88,-9.45,;25.2,-9.12,;26.66,-9.06,;25.21,-7.67,;24.24,-10.33,;13.6,-13.34,;12.26,-12.59,;10.93,-13.37,;10.95,-14.92,;12.3,-15.67,;13.63,-14.88,;9.62,-15.71,;8.27,-14.96,;9.64,-17.26,)|
CC(C)CCOc1nc(Nc2cccc(c2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:35:32:25.26.27:29,24:25:29:31.32.34,THB:35:26:29:31.32.34,34:32:25:27.28.29,34:28:25:31.35.32,33:32:25:27.28.29,33:32:25.26.27:29,(21.67,-17.87,;20.33,-17.11,;19,-17.9,;20.31,-15.57,;18.96,-14.82,;18.94,-13.27,;17.59,-12.52,;16.27,-13.31,;14.92,-12.56,;13.59,-13.34,;12.25,-12.59,;10.93,-13.38,;9.59,-12.63,;9.56,-11.08,;10.89,-10.29,;12.24,-11.04,;10.87,-8.74,;12.2,-7.96,;9.53,-7.99,;14.9,-11.01,;16.23,-10.22,;17.58,-10.98,;18.9,-10.19,;18.88,-8.64,;20.25,-10.94,;21.49,-10.19,;22.91,-9.79,;22.91,-8.29,;23.89,-7.13,;22.61,-7.58,;22.62,-8.98,;23.88,-9.44,;25.2,-9.12,;26.65,-9.06,;25.21,-7.67,;24.24,-10.32,)|
CC(C)CCOc1nc(Nc2coc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.68,-16.83,;20.34,-16.07,;19.01,-16.86,;20.32,-14.53,;18.97,-13.77,;18.95,-12.23,;17.6,-11.48,;16.28,-12.27,;14.93,-11.51,;13.6,-12.3,;12.25,-11.54,;12.07,-10.02,;10.56,-9.71,;9.8,-11.06,;10.85,-12.19,;8.27,-11.24,;7.34,-10,;7.66,-12.66,;14.91,-9.97,;16.24,-9.18,;17.59,-9.93,;18.91,-9.14,;18.89,-7.6,;20.26,-9.9,;21.5,-9.14,;22.92,-8.74,;22.92,-7.25,;23.9,-6.08,;22.63,-6.53,;22.64,-7.94,;23.89,-8.4,;25.21,-8.07,;26.67,-8.01,;25.22,-6.63,;24.25,-9.28,)|
CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.29,-15.61,;19.95,-14.86,;18.62,-15.65,;19.93,-13.31,;18.58,-12.56,;18.56,-11.02,;17.21,-10.26,;15.89,-11.05,;14.54,-10.3,;13.21,-11.09,;11.86,-10.33,;11.68,-8.8,;10.17,-8.5,;9.41,-9.84,;10.46,-10.98,;7.88,-10.03,;6.95,-8.79,;7.26,-11.44,;14.52,-8.75,;15.84,-7.96,;17.2,-8.72,;18.52,-7.93,;18.49,-6.38,;19.87,-8.68,;21.11,-7.93,;22.53,-7.53,;22.53,-6.03,;23.51,-4.87,;22.24,-5.32,;22.24,-6.72,;23.5,-7.18,;24.82,-6.86,;26.27,-6.8,;24.83,-5.41,;23.86,-8.06,)|
CC(C)CCOc1nc(Nc2nc(CC(O)=O)cs2)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:35:32:25.26.27:29,24:25:29:31.32.34,THB:35:26:29:31.32.34,34:32:25:27.28.29,34:28:25:31.35.32,33:32:25:27.28.29,33:32:25.26.27:29,(21.78,-17.21,;20.44,-16.45,;19.11,-17.24,;20.42,-14.91,;19.07,-14.16,;19.05,-12.61,;17.7,-11.86,;16.38,-12.65,;15.03,-11.9,;13.7,-12.68,;12.36,-11.93,;10.96,-12.58,;9.92,-11.44,;8.38,-11.62,;7.46,-10.38,;8.07,-8.97,;5.93,-10.56,;10.67,-10.1,;12.19,-10.4,;15.02,-10.35,;16.34,-9.56,;17.69,-10.32,;19.01,-9.53,;18.99,-7.98,;20.36,-10.28,;21.6,-9.53,;23.02,-9.13,;23.02,-7.63,;24,-6.47,;22.73,-6.92,;22.73,-8.32,;23.99,-8.78,;25.31,-8.46,;26.76,-8.4,;25.32,-7.01,;24.35,-9.66,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2)n1 |r,wD:7.9,5.6,1.0,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(10.34,-18.1,;10.15,-16.58,;11.65,-16.23,;11.78,-14.69,;10.36,-14.09,;9.35,-15.26,;8.08,-14.38,;8.61,-16.61,;7.29,-17.41,;5.94,-16.66,;7.32,-18.95,;13.1,-13.9,;13.07,-12.36,;14.39,-11.55,;15.73,-12.3,;17.06,-11.5,;18.4,-12.24,;17.03,-9.96,;18.29,-9.23,;19.71,-8.81,;19.67,-7.31,;20.63,-6.12,;19.36,-6.6,;19.4,-8,;20.67,-8.44,;21.98,-8.08,;23.44,-8,;21.96,-6.64,;21.05,-9.31,;15.77,-13.84,;17.12,-14.58,;18.43,-13.78,;19.79,-14.52,;21.11,-13.73,;22.45,-14.47,;22.49,-16.01,;21.17,-16.81,;19.82,-16.07,;14.45,-14.64,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2C)n1 |r,wD:7.9,5.6,1.0,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(10.34,-18.11,;10.15,-16.58,;11.65,-16.23,;11.78,-14.69,;10.37,-14.1,;9.35,-15.26,;8.09,-14.38,;8.61,-16.61,;7.29,-17.41,;5.94,-16.66,;7.32,-18.95,;13.1,-13.9,;13.07,-12.36,;14.39,-11.55,;15.73,-12.3,;17.06,-11.5,;18.41,-12.24,;17.03,-9.96,;18.29,-9.24,;19.71,-8.81,;19.67,-7.31,;20.63,-6.12,;19.36,-6.6,;19.4,-8,;20.67,-8.44,;21.98,-8.09,;23.44,-8,;21.97,-6.64,;21.05,-9.32,;15.77,-13.84,;17.12,-14.58,;18.44,-13.78,;19.79,-14.53,;21.11,-13.73,;22.46,-14.48,;22.49,-16.02,;21.17,-16.81,;19.82,-16.07,;18.51,-16.87,;14.45,-14.64,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2Cl)n1 |r,wD:7.9,5.6,1.0,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(10.34,-18.1,;10.15,-16.58,;11.65,-16.23,;11.78,-14.69,;10.36,-14.09,;9.35,-15.26,;8.08,-14.38,;8.61,-16.61,;7.29,-17.41,;5.94,-16.66,;7.32,-18.95,;13.1,-13.9,;13.07,-12.36,;14.39,-11.55,;15.73,-12.3,;17.06,-11.5,;18.4,-12.24,;17.03,-9.96,;18.29,-9.23,;19.71,-8.81,;19.67,-7.31,;20.63,-6.12,;19.36,-6.6,;19.4,-8,;20.67,-8.44,;21.98,-8.08,;23.44,-8,;21.96,-6.64,;21.05,-9.31,;15.77,-13.84,;17.12,-14.58,;18.43,-13.78,;19.79,-14.52,;21.11,-13.73,;22.45,-14.47,;22.49,-16.01,;21.17,-16.81,;19.82,-16.07,;18.5,-16.87,;14.45,-14.64,)|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2)n1 |r,wU:4.3,TLB:27:24:17.18.19:21,16:17:21:23.24.26,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(9.85,-12.73,;8.53,-13.52,;7.19,-12.78,;8.56,-15.06,;9.9,-15.8,;9.92,-17.34,;11.27,-18.08,;12.6,-17.29,;12.56,-15.75,;11.21,-15.01,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;16.55,-14.9,;17.9,-15.64,;19.22,-14.84,;20.57,-15.58,;21.89,-14.78,;23.23,-15.53,;23.27,-17.07,;21.95,-17.87,;20.6,-17.13,;15.23,-15.7,)|
Cc1ccccc1COc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:33.38,TLB:28:25:18.19.20:22,17:18:22:24.25.27,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(19.28,-17.93,;20.6,-17.13,;21.95,-17.87,;23.27,-17.07,;23.23,-15.53,;21.89,-14.78,;20.57,-15.58,;19.22,-14.84,;17.9,-15.64,;16.55,-14.9,;15.23,-15.7,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;12.56,-15.75,;12.6,-17.29,;11.27,-18.08,;9.92,-17.34,;9.9,-15.8,;8.56,-15.06,;8.53,-13.52,;9.85,-12.73,;7.19,-12.78,;11.21,-15.01,)|
OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2Cl)n1 |r,wU:4.3,TLB:27:24:17.18.19:21,16:17:21:23.24.26,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(9.85,-12.73,;8.53,-13.52,;7.19,-12.78,;8.56,-15.06,;9.9,-15.8,;9.92,-17.34,;11.27,-18.08,;12.6,-17.29,;12.56,-15.75,;11.21,-15.01,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;16.55,-14.9,;17.9,-15.64,;19.22,-14.84,;20.57,-15.58,;21.89,-14.78,;23.23,-15.53,;23.27,-17.07,;21.95,-17.87,;20.6,-17.13,;19.28,-17.93,;15.23,-15.7,)|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(NC(=O)NC2CCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(NS(=O)(=O)C2CCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(c(OCCC(C)C)n1)S(=O)(=O)NC1CCCCC1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(CNC2CCCCC2)c(OCCC(C)C)n1 |r|
[H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(O)C(=O)O[C@@]5(C)[C@@]6([H])C[C@@]7(C)[C@]8([H])C(=O)[C@@]3(O[C@]458)OC[C@]7([H])C(=O)O6)[C@@]3(C)C(=O)C=CC[C@@]13O2 |r,c:45,THB:18:19:23:27.26,20:19:23:27.26,32:30:23:27.26|
C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5 |r,c:15,t:12,TLB:29:27:25:22.23,32:34:25:22.23,THB:28:27:25:22.23|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(7.94,-18.21,;7.94,-16.67,;9.27,-15.9,;10.61,-16.67,;11.94,-15.9,;11.94,-14.36,;13.27,-13.59,;14.61,-14.36,;10.61,-13.59,;9.27,-14.36,;10.61,-12.05,;11.94,-11.28,;13.27,-12.05,;14.61,-11.28,;15.42,-12.59,;16.15,-11.33,;14.61,-9.74,;13.27,-8.97,;13.27,-7.43,;11.94,-9.74,;10.61,-8.97,;9.27,-9.74,;7.94,-8.97,;6.53,-9.6,;5.5,-8.45,;6.27,-7.12,;7.78,-7.44,;3.97,-8.61,;3.34,-10.02,;1.81,-10.18,;.91,-8.93,;-.62,-9.1,;1.53,-7.53,;3.07,-7.37,;9.27,-11.28,;7.94,-12.05,)|
COc1ccc(OC)c(c1)-n1c(C)ccc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(5.95,-39.75,;7.27,-40.53,;8.61,-39.76,;9.94,-40.54,;11.29,-39.77,;11.29,-38.24,;12.62,-37.47,;13.96,-38.24,;9.96,-37.46,;8.62,-38.23,;9.97,-35.93,;8.65,-35.16,;7.31,-35.92,;8.65,-33.62,;9.98,-32.85,;11.32,-33.63,;12.65,-32.86,;14.05,-33.49,;15.09,-32.35,;14.32,-31.01,;12.82,-31.33,;16.62,-32.52,;17.23,-33.93,;18.76,-34.1,;19.68,-32.86,;21.21,-33.03,;19.05,-31.44,;17.52,-31.28,;11.31,-35.17,;12.64,-35.94,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CCc2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(25.51,-12.01,;26.84,-12.79,;28.17,-12.03,;29.5,-12.81,;30.85,-12.04,;30.85,-10.5,;32.19,-9.73,;33.52,-10.51,;29.52,-9.73,;28.18,-10.49,;29.53,-8.19,;28.21,-7.42,;26.89,-8.18,;25.56,-7.42,;24.78,-8.75,;24.02,-7.41,;25.56,-5.88,;26.89,-5.1,;28.22,-5.88,;29.55,-5.11,;30.88,-5.89,;32.21,-5.13,;33.61,-5.76,;34.65,-4.63,;33.88,-3.29,;32.37,-3.6,;36.17,-4.79,;36.79,-6.21,;38.32,-6.38,;39.23,-5.13,;40.76,-5.3,;38.6,-3.72,;37.08,-3.56,;30.87,-7.43,;32.2,-8.21,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)C=Cc2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |c:17,(25.31,-23.77,;26.64,-24.54,;27.98,-23.78,;29.31,-24.56,;30.65,-23.79,;30.66,-22.25,;31.99,-21.49,;33.32,-22.26,;29.33,-21.48,;27.99,-22.24,;29.34,-19.94,;28.02,-19.17,;26.69,-19.93,;25.36,-19.17,;24.59,-20.5,;23.82,-19.16,;25.36,-17.63,;26.69,-16.85,;28.02,-17.63,;29.35,-16.86,;30.68,-17.64,;32.02,-16.87,;33.42,-17.51,;34.46,-16.37,;33.69,-15.03,;32.18,-15.34,;35.98,-16.54,;36.6,-17.95,;38.13,-18.12,;39.04,-16.88,;40.58,-17.04,;38.42,-15.46,;36.89,-15.3,;30.68,-19.18,;32.01,-19.96,)|
COc1ccc(OC)c(c1)-n1c2CNCC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(41.25,-40.83,;42.58,-41.61,;43.92,-40.85,;45.25,-41.63,;46.59,-40.86,;46.6,-39.32,;47.93,-38.56,;49.26,-39.33,;45.27,-38.55,;43.93,-39.31,;45.28,-37.01,;43.96,-36.24,;42.63,-37,;41.3,-36.24,;41.3,-34.7,;42.63,-33.92,;42.63,-32.38,;43.96,-34.7,;45.29,-33.93,;46.62,-34.71,;47.96,-33.94,;49.36,-34.58,;50.4,-33.44,;49.63,-32.1,;48.13,-32.41,;51.93,-33.6,;52.54,-35.02,;54.07,-35.19,;54.99,-33.94,;56.52,-34.11,;54.36,-32.53,;52.83,-32.37,;46.62,-36.25,;47.95,-37.03,)|
COc1ccc(OC)c(c1)-n1c2CCNC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(60.03,-12.48,;61.36,-13.26,;62.7,-12.5,;64.03,-13.27,;65.37,-12.5,;65.38,-10.97,;66.71,-10.2,;68.04,-10.98,;64.05,-10.2,;62.71,-10.96,;64.06,-8.66,;62.74,-7.89,;61.41,-8.65,;60.08,-7.89,;60.08,-6.35,;61.41,-5.57,;61.41,-4.03,;62.74,-6.35,;64.07,-5.58,;65.4,-6.36,;66.73,-5.6,;68.14,-6.23,;69.17,-5.09,;68.41,-3.75,;66.9,-4.07,;70.7,-5.26,;71.32,-6.67,;72.84,-6.84,;73.76,-5.6,;75.29,-5.77,;73.13,-4.19,;71.6,-4.02,;65.4,-7.9,;66.73,-8.68,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccccc2)c1=O |(71.87,-28.35,;71.87,-26.81,;70.54,-26.04,;69.2,-26.81,;67.87,-26.03,;67.87,-24.49,;66.55,-23.71,;65.21,-24.47,;69.22,-23.73,;70.54,-24.5,;69.22,-22.19,;67.9,-21.42,;66.58,-22.18,;65.25,-21.42,;64.47,-22.75,;63.71,-21.41,;65.25,-19.88,;66.58,-19.1,;66.58,-17.56,;67.91,-19.88,;69.24,-19.11,;70.57,-19.89,;71.9,-19.12,;73.3,-19.76,;74.34,-18.62,;73.58,-17.28,;72.07,-17.59,;75.87,-18.78,;76.49,-20.2,;78.02,-20.37,;78.93,-19.12,;78.3,-17.71,;76.78,-17.55,;70.56,-21.43,;71.89,-22.21,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2ncc(s2)-c2ccc(Cl)cc2)c1=O |(72.74,-44.45,;72.74,-42.91,;71.41,-42.14,;70.07,-42.91,;68.74,-42.13,;68.75,-40.59,;67.42,-39.81,;66.08,-40.58,;70.09,-39.83,;71.42,-40.6,;70.1,-38.29,;68.78,-37.52,;67.45,-38.28,;66.12,-37.52,;65.35,-38.85,;64.58,-37.51,;66.12,-35.98,;67.45,-35.2,;67.45,-33.66,;68.78,-35.98,;70.11,-35.21,;71.44,-35.99,;72.77,-35.22,;74.18,-35.86,;75.22,-34.72,;74.45,-33.38,;72.94,-33.69,;75.08,-31.98,;76.62,-31.83,;77.25,-30.43,;76.35,-29.18,;76.99,-27.77,;74.81,-29.34,;74.19,-30.74,;71.44,-37.53,;72.77,-38.31,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc3cc(Cl)ccc3s2)c1=O |(14.77,-30.72,;14.77,-29.18,;13.44,-28.41,;12.1,-29.18,;10.77,-28.4,;10.78,-26.86,;9.45,-26.08,;8.11,-26.84,;12.12,-26.1,;13.44,-26.87,;12.13,-24.56,;10.8,-23.79,;9.48,-24.55,;8.15,-23.79,;7.37,-25.12,;6.61,-23.78,;8.15,-22.25,;9.48,-21.47,;9.48,-19.93,;10.81,-22.25,;12.14,-21.48,;13.47,-22.26,;14.8,-21.49,;16.21,-22.12,;17.24,-20.99,;18.78,-21,;19.56,-19.67,;21.1,-19.67,;18.79,-18.33,;17.25,-18.32,;16.48,-19.65,;14.97,-19.96,;13.47,-23.8,;14.8,-24.58,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2c[nH]c(n2)-c2ccccc2)c1=O |(49.43,-14.26,;49.43,-12.72,;48.1,-11.95,;46.76,-12.72,;45.43,-11.94,;45.44,-10.4,;44.11,-9.63,;42.77,-10.39,;46.78,-9.64,;48.1,-10.42,;46.78,-8.11,;45.46,-7.33,;44.14,-8.1,;42.81,-7.33,;42.03,-8.66,;41.27,-7.33,;42.81,-5.79,;44.14,-5.02,;44.14,-3.48,;45.47,-5.79,;46.8,-5.03,;48.13,-5.81,;49.46,-5.04,;49.63,-3.51,;51.13,-3.2,;51.9,-4.54,;50.86,-5.68,;53.42,-4.71,;54.04,-6.12,;55.57,-6.29,;56.48,-5.05,;55.86,-3.63,;54.33,-3.47,;48.12,-7.35,;49.45,-8.12,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(c[nH]2)-c2ccc(Cl)cc2)c1=O |(51.25,-28.46,;51.25,-26.92,;49.92,-26.15,;48.58,-26.92,;47.25,-26.14,;47.26,-24.6,;45.93,-23.82,;44.59,-24.58,;48.6,-23.84,;49.92,-24.61,;48.6,-22.3,;47.28,-21.53,;45.96,-22.29,;44.63,-21.53,;43.85,-22.86,;43.09,-21.52,;44.63,-19.99,;45.96,-19.21,;45.96,-17.67,;47.29,-19.99,;48.62,-19.22,;49.95,-20,;51.28,-19.24,;52.68,-19.87,;53.72,-18.73,;52.95,-17.4,;51.45,-17.71,;55.24,-18.9,;55.86,-20.32,;57.39,-20.48,;58.3,-19.24,;59.83,-19.41,;57.68,-17.83,;56.15,-17.66,;49.94,-21.54,;51.27,-22.32,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2ccn(n2)-c2ccccc2)c1=O |(51.01,-43.16,;51.02,-41.62,;49.68,-40.85,;48.34,-41.62,;47.01,-40.84,;47.02,-39.3,;45.69,-38.52,;44.35,-39.28,;48.36,-38.54,;49.69,-39.31,;48.37,-37,;47.05,-36.23,;45.72,-36.99,;44.4,-36.23,;43.62,-37.56,;42.85,-36.22,;44.4,-34.69,;45.72,-33.91,;45.72,-32.37,;47.05,-34.69,;48.38,-33.92,;49.71,-34.7,;51.04,-33.94,;51.21,-32.41,;52.72,-32.1,;53.48,-33.43,;52.45,-34.57,;55.01,-33.6,;55.63,-35.01,;57.16,-35.18,;58.07,-33.94,;57.44,-32.53,;55.91,-32.36,;49.71,-36.24,;51.04,-37.02,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2cccc(c2)-c2ccc(Cl)cc2)c1=O |(12.25,-14.89,;12.25,-13.35,;10.92,-12.58,;9.58,-13.35,;8.25,-12.57,;8.26,-11.03,;6.93,-10.26,;5.59,-11.02,;9.6,-10.27,;10.92,-11.05,;9.61,-8.74,;8.28,-7.96,;6.96,-8.73,;5.63,-7.96,;4.85,-9.29,;4.09,-7.96,;5.63,-6.42,;6.96,-5.65,;6.96,-4.11,;8.29,-6.42,;9.62,-5.66,;10.95,-6.44,;12.28,-5.67,;12.29,-4.14,;13.62,-3.37,;14.96,-4.15,;14.95,-5.69,;13.62,-6.45,;16.28,-6.46,;16.27,-8.01,;17.59,-8.78,;18.93,-8.02,;20.26,-8.8,;18.94,-6.47,;17.61,-5.7,;10.94,-7.98,;12.27,-8.75,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2ccc(cc2)-c2ccccc2)c1=O |(13.19,-29.81,;13.19,-28.27,;11.86,-27.5,;10.52,-28.27,;9.19,-27.49,;9.2,-25.95,;7.87,-25.17,;6.53,-25.94,;10.54,-25.19,;11.86,-25.96,;10.55,-23.65,;9.22,-22.88,;7.9,-23.65,;6.57,-22.88,;5.79,-24.21,;5.03,-22.87,;6.57,-21.34,;7.9,-20.56,;7.9,-19.02,;9.23,-21.34,;10.56,-20.57,;11.89,-21.35,;13.23,-20.59,;14.56,-21.37,;15.89,-20.61,;15.9,-19.07,;14.56,-18.29,;13.23,-19.06,;17.23,-18.31,;18.57,-19.09,;19.9,-18.32,;19.91,-16.78,;18.57,-16.01,;17.24,-16.77,;11.89,-22.89,;13.21,-23.67,)|
COc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(34.64,-39.14,;33.31,-38.36,;31.98,-39.13,;31.97,-40.67,;30.63,-41.44,;29.3,-40.66,;29.31,-39.12,;30.65,-38.36,;30.66,-36.82,;29.34,-36.05,;28.01,-36.81,;26.69,-36.05,;25.91,-37.38,;25.14,-36.04,;26.69,-34.51,;28.01,-33.73,;28.01,-32.19,;29.34,-34.51,;30.67,-33.74,;32,-34.52,;33.34,-33.75,;34.74,-34.39,;35.78,-33.25,;35.01,-31.91,;33.51,-32.22,;37.31,-33.41,;37.92,-34.83,;39.45,-35,;40.37,-33.75,;41.9,-33.92,;39.74,-32.34,;38.21,-32.18,;32,-36.06,;33.33,-36.84,)|
CCOc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(55.97,-9.94,;54.63,-10.7,;53.3,-9.93,;51.97,-10.7,;51.96,-12.23,;50.62,-13,;49.29,-12.22,;49.3,-10.68,;50.64,-9.92,;50.65,-8.39,;49.33,-7.61,;48,-8.38,;46.67,-7.61,;45.9,-8.94,;45.13,-7.61,;46.67,-6.07,;48,-5.3,;48,-3.76,;49.33,-6.07,;50.66,-5.31,;51.99,-6.09,;53.33,-5.32,;54.73,-5.95,;55.76,-4.81,;55,-3.47,;53.49,-3.79,;57.29,-4.98,;57.91,-6.39,;59.44,-6.56,;60.35,-5.32,;61.89,-5.49,;59.73,-3.9,;58.2,-3.74,;51.99,-7.63,;53.32,-8.4,)|
CC(C)Oc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(54.93,-22.99,;53.6,-23.76,;53.59,-25.3,;52.26,-22.98,;50.93,-23.75,;50.93,-25.29,;49.58,-26.06,;48.25,-25.28,;48.26,-23.74,;49.6,-22.98,;49.61,-21.44,;48.29,-20.67,;46.97,-21.43,;45.64,-20.67,;44.86,-22,;44.1,-20.66,;45.64,-19.13,;46.97,-18.35,;46.97,-16.81,;48.3,-19.13,;49.62,-18.36,;50.96,-19.14,;52.29,-18.37,;53.69,-19,;54.73,-17.86,;53.97,-16.53,;52.46,-16.84,;56.26,-18.03,;56.88,-19.44,;58.41,-19.61,;59.32,-18.37,;60.85,-18.54,;58.69,-16.96,;57.16,-16.79,;50.95,-20.68,;52.28,-21.46,)|
CCc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(13.81,-7.87,;12.47,-7.1,;11.14,-7.87,;11.14,-9.41,;9.8,-10.18,;8.47,-9.41,;8.47,-7.87,;9.8,-7.1,;9.8,-5.56,;11.14,-4.79,;12.47,-5.56,;13.81,-4.79,;14.62,-6.1,;15.34,-4.84,;13.81,-3.25,;12.47,-2.48,;12.47,-.94,;11.14,-3.25,;9.8,-2.48,;8.47,-3.25,;7.14,-2.48,;5.73,-3.11,;4.7,-1.96,;5.47,-.63,;6.98,-.95,;3.17,-2.12,;2.54,-3.53,;1.01,-3.69,;.1,-2.44,;-1.43,-2.6,;.73,-1.04,;2.26,-.88,;8.47,-4.79,;7.14,-5.56,)|
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(c2C1)-c1ccccc1C(O)=O |(48.04,-8.42,;48.82,-7.09,;47.28,-7.08,;48.82,-5.55,;50.15,-4.78,;50.15,-3.24,;51.48,-5.55,;52.81,-4.78,;54.14,-5.56,;55.47,-4.8,;56.88,-5.43,;57.91,-4.29,;57.15,-2.95,;55.64,-3.27,;59.44,-4.46,;60.06,-5.87,;61.59,-6.04,;62.5,-4.8,;64.03,-4.96,;61.88,-3.38,;60.35,-3.22,;54.14,-7.1,;55.46,-7.88,;52.8,-7.86,;51.47,-7.09,;50.15,-7.86,;52.79,-9.4,;51.45,-10.16,;51.44,-11.7,;52.77,-12.48,;54.11,-11.71,;54.11,-10.17,;55.65,-10.17,;56.42,-11.5,;56.42,-8.84,)|
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(c2C1)-c1ccccc1Cl |(47.51,-37.01,;48.28,-35.68,;46.74,-35.68,;48.28,-34.14,;49.61,-33.37,;49.61,-31.83,;50.94,-34.14,;52.27,-33.38,;53.6,-34.16,;54.94,-33.39,;56.34,-34.02,;57.38,-32.88,;56.61,-31.54,;55.1,-31.86,;58.91,-33.05,;59.52,-34.46,;61.05,-34.63,;61.97,-33.39,;63.5,-33.56,;61.34,-31.97,;59.81,-31.81,;53.6,-35.7,;54.93,-36.47,;52.26,-36.46,;50.94,-35.68,;49.61,-36.45,;52.25,-37.99,;50.91,-38.75,;50.9,-40.29,;52.23,-41.07,;53.57,-40.3,;53.58,-38.77,;54.91,-38,)|
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(c2C1)-c1ccccc1C(F)(F)F |(70.18,-8.12,;70.96,-6.79,;69.42,-6.78,;70.96,-5.25,;72.29,-4.47,;72.29,-2.93,;73.62,-5.25,;74.95,-4.48,;76.28,-5.26,;77.61,-4.49,;79.01,-5.13,;80.05,-3.99,;79.29,-2.65,;77.78,-2.96,;81.58,-4.15,;82.2,-5.57,;83.73,-5.74,;84.64,-4.49,;86.17,-4.66,;84.01,-3.08,;82.49,-2.92,;76.27,-6.8,;77.6,-7.58,;74.93,-7.56,;73.61,-6.79,;72.29,-7.55,;74.92,-9.1,;73.58,-9.86,;73.57,-11.4,;74.9,-12.18,;76.25,-11.41,;76.25,-9.87,;77.79,-9.87,;78.56,-11.2,;77.78,-8.33,;79.12,-9.09,)|
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(c2C1)-c1ccccc1OC(F)(F)F |(69.42,-21.58,;70.2,-20.25,;68.65,-20.25,;70.2,-18.71,;71.52,-17.94,;71.52,-16.4,;72.85,-18.71,;74.18,-17.95,;75.51,-18.72,;76.85,-17.96,;78.25,-18.59,;79.29,-17.45,;78.52,-16.11,;77.02,-16.43,;80.82,-17.62,;81.43,-19.03,;82.96,-19.2,;83.88,-17.96,;85.41,-18.12,;83.25,-16.54,;81.72,-16.38,;75.51,-20.26,;76.84,-21.04,;74.17,-21.03,;72.85,-20.25,;71.52,-21.02,;74.16,-22.56,;72.82,-23.32,;72.81,-24.86,;74.14,-25.64,;75.48,-24.87,;75.49,-23.33,;76.82,-22.57,;78.15,-23.34,;79.49,-22.58,;77.37,-24.67,;78.91,-24.67,)|
Cc1ccccc1Cn1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(C3CCCCC3)c2C1
COC(=O)c1ccsc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(26.8,-24.51,;28.26,-24.99,;29.41,-23.96,;29.09,-22.45,;30.88,-24.44,;31.34,-25.91,;32.88,-25.91,;33.36,-24.45,;32.11,-23.54,;32.12,-22.01,;30.8,-21.23,;29.48,-22,;28.15,-21.23,;27.37,-22.56,;26.61,-21.23,;28.15,-19.69,;29.48,-18.92,;29.48,-17.38,;30.81,-19.69,;32.14,-18.93,;33.47,-19.71,;34.8,-18.94,;36.2,-19.57,;37.24,-18.43,;36.48,-17.09,;34.97,-17.41,;38.77,-18.6,;39.39,-20.01,;40.92,-20.18,;41.83,-18.94,;43.36,-19.1,;41.2,-17.52,;39.68,-17.36,;33.46,-21.25,;34.79,-22.02,)|
CC1(C)CC(=O)c2cc(-c3nc(cs3)-c3ccc(Cl)cc3)c(=O)n(-c3sccc3C#N)c2C1 |(26.97,-38.48,;27.75,-37.15,;26.21,-37.14,;27.75,-35.61,;29.08,-34.83,;29.08,-33.29,;30.41,-35.61,;31.73,-34.84,;33.07,-35.62,;34.4,-34.85,;35.8,-35.49,;36.84,-34.35,;36.08,-33.01,;34.57,-33.32,;38.37,-34.51,;38.99,-35.93,;40.52,-36.1,;41.43,-34.85,;42.96,-35.02,;40.8,-33.44,;39.27,-33.28,;33.06,-37.16,;34.39,-37.94,;31.72,-37.92,;31.71,-39.46,;32.96,-40.37,;32.48,-41.83,;30.94,-41.82,;30.47,-40.36,;29.02,-39.88,;27.55,-39.4,;30.4,-37.15,;29.08,-37.91,)|
COc1ccc(c(OC)c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(51.02,-44.09,;52.36,-43.33,;52.36,-41.79,;53.7,-41.02,;53.71,-39.48,;52.38,-38.71,;51.04,-39.47,;49.71,-38.69,;48.37,-39.45,;51.03,-41.01,;52.39,-37.17,;51.07,-36.4,;49.72,-37.15,;48.42,-36.4,;47.64,-37.73,;46.87,-36.39,;48.42,-34.86,;49.74,-34.08,;49.74,-32.54,;51.07,-34.86,;52.4,-34.09,;53.73,-34.87,;55.07,-34.1,;56.47,-34.74,;57.51,-33.6,;56.74,-32.26,;55.24,-32.57,;59.04,-33.76,;59.65,-35.18,;61.18,-35.35,;62.1,-34.1,;63.63,-34.27,;61.47,-32.69,;59.94,-32.53,;53.73,-36.41,;55.06,-37.19,)|
COc1cccc(OC)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(71.74,-10.14,;73.08,-9.38,;74.41,-10.16,;74.4,-11.69,;75.73,-12.47,;77.07,-11.7,;77.07,-10.17,;78.41,-9.4,;79.74,-10.17,;75.75,-9.39,;75.75,-7.86,;74.43,-7.09,;73.09,-7.84,;71.78,-7.09,;71,-8.42,;70.24,-7.08,;71.78,-5.55,;73.11,-4.77,;73.11,-3.23,;74.44,-5.55,;75.77,-4.78,;77.1,-5.56,;78.43,-4.79,;79.84,-5.42,;80.87,-4.28,;80.11,-2.94,;78.6,-3.26,;82.4,-4.45,;83.02,-5.86,;84.55,-6.03,;85.46,-4.79,;86.99,-4.96,;84.83,-3.37,;83.31,-3.21,;77.09,-7.1,;78.42,-7.87,)|
COc1c(cccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(O)=O |(70.04,-23.78,;71.38,-23.02,;72.71,-23.8,;72.7,-25.34,;74.03,-26.12,;75.37,-25.34,;75.38,-23.81,;74.05,-23.04,;74.06,-21.5,;72.74,-20.73,;71.39,-21.48,;70.08,-20.73,;69.31,-22.06,;68.54,-20.72,;70.08,-19.19,;71.41,-18.41,;71.41,-16.87,;72.74,-19.19,;74.07,-18.42,;75.4,-19.2,;76.74,-18.43,;78.14,-19.06,;79.18,-17.92,;78.41,-16.59,;76.9,-16.9,;80.71,-18.09,;81.32,-19.5,;82.85,-19.67,;83.77,-18.43,;85.3,-18.6,;83.14,-17.02,;81.61,-16.85,;75.4,-20.74,;76.73,-21.52,;71.36,-26.1,;70.03,-25.32,;71.35,-27.64,)|
COc1cc(ccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(O)=O |(70.17,-39.69,;71.51,-38.93,;72.83,-39.71,;72.83,-41.25,;74.16,-42.03,;75.5,-41.26,;75.5,-39.72,;74.18,-38.95,;74.18,-37.41,;72.86,-36.64,;71.52,-37.39,;70.21,-36.64,;69.43,-37.97,;68.67,-36.63,;70.21,-35.1,;71.54,-34.32,;71.54,-32.78,;72.87,-35.1,;74.2,-34.33,;75.53,-35.11,;76.86,-34.34,;78.26,-34.98,;79.3,-33.84,;78.54,-32.5,;77.03,-32.81,;80.83,-34,;81.45,-35.42,;82.98,-35.59,;83.89,-34.34,;85.42,-34.51,;83.26,-32.93,;81.74,-32.77,;75.52,-36.65,;76.85,-37.43,;74.15,-43.57,;72.81,-44.34,;75.48,-44.35,)|
COc1ccc(cc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(O)=O |(6.61,-11.3,;7.95,-10.54,;9.28,-11.31,;9.27,-12.85,;10.6,-13.63,;11.94,-12.86,;11.94,-11.33,;10.62,-10.55,;10.62,-9.02,;9.3,-8.24,;7.96,-9,;6.65,-8.24,;5.87,-9.57,;5.11,-8.24,;6.65,-6.7,;7.98,-5.93,;7.98,-4.39,;9.31,-6.7,;10.64,-5.94,;11.97,-6.72,;13.3,-5.95,;14.7,-6.58,;15.74,-5.44,;14.98,-4.1,;13.47,-4.42,;17.27,-5.61,;17.89,-7.02,;19.42,-7.19,;20.33,-5.95,;21.86,-6.12,;19.7,-4.53,;18.18,-4.37,;11.96,-8.26,;13.29,-9.03,;13.27,-13.64,;13.27,-15.18,;14.61,-12.87,)|
COc1cccc(C(O)=O)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(6.09,-39.09,;7.43,-38.33,;8.76,-39.11,;8.75,-40.65,;10.08,-41.43,;11.43,-40.66,;11.43,-39.12,;12.76,-38.36,;13.86,-39.44,;13.53,-37.01,;10.1,-38.35,;10.11,-36.81,;8.79,-36.04,;7.44,-36.79,;6.14,-36.04,;5.36,-37.37,;4.6,-36.03,;6.14,-34.5,;7.47,-33.72,;7.47,-32.18,;8.79,-34.5,;10.12,-33.73,;11.46,-34.51,;12.79,-33.74,;14.19,-34.38,;15.23,-33.24,;14.46,-31.9,;12.96,-32.21,;16.76,-33.41,;17.37,-34.82,;18.9,-34.99,;19.82,-33.75,;21.35,-33.91,;19.19,-32.33,;17.66,-32.17,;11.45,-36.05,;12.78,-36.83,)|
COc1cccc(C)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(27.01,-10.71,;28.35,-9.94,;29.68,-10.72,;29.67,-12.26,;31,-13.04,;32.34,-12.27,;32.34,-10.73,;33.68,-9.97,;31.02,-9.96,;31.03,-8.42,;29.7,-7.65,;28.36,-8.4,;27.05,-7.65,;26.27,-8.98,;25.51,-7.64,;27.05,-6.11,;28.38,-5.34,;28.38,-3.8,;29.71,-6.11,;31.04,-5.34,;32.37,-6.12,;33.7,-5.36,;35.11,-5.99,;36.14,-4.85,;35.38,-3.51,;33.87,-3.83,;37.67,-5.02,;38.29,-6.43,;39.82,-6.6,;40.73,-5.36,;42.26,-5.52,;40.1,-3.94,;38.58,-3.78,;32.36,-7.66,;33.69,-8.44,)|
COc1ncccc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(27.35,-23.99,;28.69,-23.23,;30.02,-24.01,;30.01,-25.55,;31.34,-26.33,;32.68,-25.55,;32.68,-24.02,;31.36,-23.25,;31.37,-21.71,;30.04,-20.94,;28.7,-21.69,;27.39,-20.94,;26.62,-22.27,;25.85,-20.93,;27.39,-19.4,;28.72,-18.62,;28.72,-17.08,;30.05,-19.4,;31.38,-18.63,;32.71,-19.41,;34.04,-18.64,;35.45,-19.27,;36.48,-18.13,;35.72,-16.8,;34.21,-17.11,;38.01,-18.3,;38.63,-19.71,;40.16,-19.88,;41.07,-18.64,;42.6,-18.81,;40.45,-17.23,;38.92,-17.06,;32.71,-20.95,;34.03,-21.73,)|
COc1ccncc1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(27.41,-41.78,;28.75,-41.02,;30.08,-41.8,;30.07,-43.33,;31.4,-44.11,;32.74,-43.34,;32.75,-41.81,;31.42,-41.03,;31.43,-39.5,;30.11,-38.73,;28.76,-39.48,;27.46,-38.73,;26.68,-40.06,;25.91,-38.72,;27.46,-37.19,;28.78,-36.41,;28.78,-34.87,;30.11,-37.19,;31.44,-36.42,;32.77,-37.2,;34.11,-36.43,;35.51,-37.06,;36.55,-35.92,;35.78,-34.58,;34.28,-34.9,;38.08,-36.09,;38.69,-37.5,;40.22,-37.67,;41.14,-36.43,;42.67,-36.6,;40.51,-35.01,;38.98,-34.85,;32.77,-38.74,;34.1,-39.51,)|
CCOc1ccc(OCC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(57.25,-13.98,;55.92,-13.21,;54.58,-13.98,;53.25,-13.2,;51.91,-13.97,;50.58,-13.2,;50.59,-11.66,;49.26,-10.88,;47.92,-11.64,;46.59,-10.86,;51.93,-10.9,;53.26,-11.67,;51.94,-9.36,;50.62,-8.59,;49.27,-9.34,;47.96,-8.59,;47.19,-9.92,;46.42,-8.58,;47.96,-7.05,;49.29,-6.27,;49.29,-4.73,;50.62,-7.05,;51.95,-6.28,;53.28,-7.06,;54.62,-6.29,;56.02,-6.92,;57.06,-5.78,;56.29,-4.45,;54.78,-4.76,;58.58,-5.95,;59.2,-7.36,;60.73,-7.53,;61.64,-6.29,;63.18,-6.46,;61.02,-4.88,;59.49,-4.71,;53.28,-8.6,;54.61,-9.38,)|
CCOc1cccc(OCC)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(47.8,-25.24,;47.81,-23.7,;49.15,-22.94,;50.47,-23.72,;50.46,-25.26,;51.79,-26.04,;53.14,-25.27,;53.14,-23.73,;54.48,-22.96,;55.81,-23.74,;57.14,-22.97,;51.81,-22.96,;51.82,-21.42,;50.5,-20.65,;49.16,-21.4,;47.85,-20.65,;47.07,-21.98,;46.31,-20.64,;47.85,-19.11,;49.18,-18.33,;49.18,-16.79,;50.51,-19.11,;51.84,-18.34,;53.17,-19.12,;54.5,-18.35,;55.9,-18.99,;56.94,-17.85,;56.18,-16.51,;54.67,-16.82,;58.47,-18.01,;59.09,-19.43,;60.62,-19.6,;61.53,-18.35,;63.06,-18.52,;60.9,-16.94,;59.37,-16.78,;53.16,-20.66,;54.49,-21.44,)|
CCc1cccc(C)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(48.16,-39.2,;49.5,-38.44,;50.82,-39.22,;50.81,-40.76,;52.14,-41.54,;53.49,-40.77,;53.49,-39.23,;54.83,-38.47,;52.16,-38.46,;52.17,-36.92,;50.85,-36.15,;49.51,-36.9,;48.2,-36.15,;47.42,-37.48,;46.66,-36.14,;48.2,-34.61,;49.53,-33.83,;49.53,-32.29,;50.86,-34.61,;52.19,-33.84,;53.52,-34.62,;54.85,-33.85,;56.25,-34.49,;57.29,-33.35,;56.53,-32.01,;55.02,-32.32,;58.82,-33.51,;59.44,-34.93,;60.97,-35.1,;61.88,-33.85,;63.41,-34.02,;61.25,-32.44,;59.72,-32.28,;53.51,-36.16,;54.84,-36.94,)|
CCc1cccc(CC)c1-n1c2CC(C)(C)CC(=O)c2cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O |(70.23,-10.18,;71.57,-9.42,;72.9,-10.19,;72.89,-11.73,;74.22,-12.51,;75.56,-11.74,;75.56,-10.21,;76.9,-9.44,;78.23,-10.21,;74.24,-9.43,;74.25,-7.9,;72.92,-7.12,;71.58,-7.88,;70.27,-7.12,;69.49,-8.45,;68.73,-7.12,;70.27,-5.58,;71.6,-4.81,;71.6,-3.27,;72.93,-5.58,;74.26,-4.82,;75.59,-5.6,;76.92,-4.83,;78.33,-5.46,;79.36,-4.32,;78.6,-2.98,;77.09,-3.3,;80.89,-4.49,;81.51,-5.9,;83.04,-6.07,;83.95,-4.83,;85.48,-5,;83.33,-3.41,;81.8,-3.25,;75.58,-7.14,;76.91,-7.91,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)OC |(79.43,-23.67,;78.09,-22.9,;76.76,-23.68,;76.77,-25.21,;75.43,-25.99,;74.1,-25.22,;74.1,-23.68,;72.76,-22.91,;71.43,-23.68,;75.43,-22.91,;75.43,-21.37,;74.11,-20.61,;72.77,-21.38,;74.11,-19.07,;75.43,-18.29,;76.76,-19.07,;78.1,-18.3,;79.5,-18.93,;80.54,-17.79,;79.77,-16.45,;78.26,-16.77,;82.06,-17.95,;82.68,-19.37,;84.21,-19.53,;85.12,-18.29,;86.65,-18.45,;84.49,-16.87,;82.96,-16.71,;76.76,-20.61,;78.1,-21.38,;72.77,-18.3,;72.77,-16.76,;71.44,-19.08,;70.1,-18.31,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(O)=O |(78.61,-37.89,;77.28,-37.13,;75.95,-37.9,;75.95,-39.44,;74.61,-40.22,;73.28,-39.44,;73.28,-37.91,;71.95,-37.13,;70.61,-37.9,;74.62,-37.14,;74.62,-35.6,;73.29,-34.84,;71.96,-35.61,;73.29,-33.3,;74.62,-32.52,;75.95,-33.3,;77.28,-32.52,;78.69,-33.15,;79.72,-32.01,;78.95,-30.68,;77.45,-30.99,;81.24,-32.18,;81.86,-33.59,;83.39,-33.76,;84.3,-32.51,;85.83,-32.68,;83.67,-31.1,;82.15,-30.94,;75.95,-34.84,;77.28,-35.61,;71.95,-32.53,;70.62,-33.3,;71.95,-30.99,)|
CCOC(=O)c1cc(-c2nc(cs2)-c2ccc(Cl)cc2)c(=O)n(-c2c(CC)cccc2CC)c1-c1ccccc1 |(4.78,-7.73,;6.11,-6.96,;7.44,-7.72,;8.78,-6.95,;8.77,-5.41,;10.11,-7.72,;11.44,-6.94,;12.77,-7.72,;14.1,-6.94,;15.51,-7.57,;16.54,-6.43,;15.78,-5.1,;14.27,-5.41,;18.06,-6.6,;18.69,-8.01,;20.21,-8.18,;21.13,-6.93,;22.66,-7.1,;20.5,-5.52,;18.97,-5.36,;12.77,-9.26,;14.1,-10.03,;11.44,-10.02,;11.89,-11.49,;13.38,-11.83,;14.43,-10.71,;15.93,-11.05,;13.83,-13.3,;12.78,-14.43,;11.28,-14.08,;10.83,-12.61,;9.33,-12.26,;8.28,-13.38,;10.11,-9.26,;8.78,-10.03,;7.44,-9.26,;6.11,-10.03,;6.11,-11.57,;7.46,-12.34,;8.78,-11.56,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NC |(14.46,-24.6,;13.12,-23.84,;11.79,-24.61,;11.79,-26.15,;10.46,-26.92,;9.12,-26.15,;9.12,-24.61,;7.79,-23.84,;6.46,-24.61,;10.46,-23.85,;10.46,-22.31,;9.13,-21.54,;7.8,-22.32,;9.13,-20,;10.46,-19.23,;11.79,-20,;13.12,-19.23,;14.53,-19.86,;15.56,-18.72,;14.8,-17.39,;13.29,-17.7,;17.08,-18.89,;17.71,-20.3,;19.24,-20.47,;20.15,-19.22,;21.68,-19.38,;19.52,-17.81,;17.99,-17.65,;11.79,-21.54,;13.12,-22.32,;7.8,-19.24,;7.79,-17.7,;6.46,-20.01,;5.13,-19.25,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N(C)C |(15.22,-38.42,;13.88,-37.65,;12.55,-38.42,;12.56,-39.96,;11.22,-40.74,;9.88,-39.97,;9.88,-38.43,;8.55,-37.66,;7.22,-38.42,;11.22,-37.66,;11.22,-36.12,;9.89,-35.36,;8.56,-36.13,;9.89,-33.82,;11.22,-33.04,;12.55,-33.82,;13.89,-33.05,;15.29,-33.68,;16.32,-32.53,;15.56,-31.2,;14.05,-31.51,;17.85,-32.7,;18.47,-34.11,;20,-34.28,;20.91,-33.03,;22.44,-33.2,;20.28,-31.62,;18.75,-31.46,;12.55,-35.36,;13.88,-36.13,;8.56,-33.05,;8.55,-31.51,;7.23,-33.83,;5.89,-33.06,;7.23,-35.37,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NC(C)C |(38.69,-13.3,;37.36,-12.53,;36.02,-13.31,;36.03,-14.84,;34.69,-15.62,;33.36,-14.85,;33.36,-13.31,;32.02,-12.54,;30.69,-13.31,;34.69,-12.54,;34.7,-11.01,;33.37,-10.24,;32.03,-11.02,;33.37,-8.7,;34.7,-7.93,;36.02,-8.7,;37.36,-7.93,;38.76,-8.56,;39.8,-7.42,;39.03,-6.08,;37.52,-6.4,;41.32,-7.59,;41.94,-9,;43.47,-9.16,;44.38,-7.92,;45.91,-8.08,;43.75,-6.51,;42.22,-6.35,;36.02,-10.24,;37.36,-11.02,;32.03,-7.94,;32.03,-6.4,;30.7,-8.71,;29.36,-7.94,;29.36,-6.4,;28.03,-8.72,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCC(C)C |(40.22,-39.19,;38.89,-38.43,;37.56,-39.2,;37.56,-40.74,;36.22,-41.52,;34.89,-40.74,;34.89,-39.21,;33.56,-38.43,;32.22,-39.2,;36.23,-38.44,;36.23,-36.9,;34.9,-36.14,;33.57,-36.91,;34.9,-34.6,;36.23,-33.82,;37.56,-34.6,;38.89,-33.82,;40.3,-34.45,;41.33,-33.31,;40.56,-31.98,;39.06,-32.29,;42.85,-33.48,;43.47,-34.89,;45,-35.06,;45.91,-33.81,;47.44,-33.98,;45.28,-32.4,;43.76,-32.24,;37.56,-36.14,;38.89,-36.91,;33.56,-33.83,;33.56,-32.29,;32.23,-34.6,;30.9,-33.84,;29.56,-34.61,;28.23,-33.85,;29.57,-36.15,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCCO |(65.46,-11.28,;64.12,-10.51,;62.79,-11.29,;62.79,-12.82,;61.46,-13.6,;60.12,-12.83,;60.12,-11.29,;58.79,-10.52,;57.45,-11.29,;61.46,-10.52,;61.46,-8.98,;60.13,-8.22,;58.8,-8.99,;60.13,-6.68,;61.46,-5.9,;62.79,-6.68,;64.12,-5.91,;65.53,-6.54,;66.56,-5.4,;65.79,-4.06,;64.29,-4.38,;68.08,-5.56,;68.7,-6.98,;70.23,-7.14,;71.14,-5.9,;72.68,-6.06,;70.51,-4.48,;68.99,-4.32,;62.79,-8.22,;64.12,-8.99,;58.79,-5.92,;58.79,-4.38,;57.46,-6.69,;56.13,-5.92,;54.8,-6.7,;53.46,-5.93,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCCOC |(66.33,-23.52,;65,-22.76,;63.67,-23.53,;63.67,-25.06,;62.33,-25.84,;61,-25.07,;61,-23.53,;59.67,-22.76,;58.33,-23.53,;62.34,-22.76,;62.34,-21.23,;61.01,-20.46,;59.68,-21.24,;61.01,-18.92,;62.34,-18.15,;63.67,-18.92,;65,-18.15,;66.41,-18.78,;67.44,-17.64,;66.67,-16.3,;65.17,-16.62,;68.96,-17.81,;69.58,-19.22,;71.11,-19.38,;72.02,-18.14,;73.56,-18.3,;71.39,-16.73,;69.87,-16.57,;63.67,-20.46,;65,-21.24,;59.67,-18.16,;59.67,-16.62,;58.34,-18.93,;57.01,-18.17,;55.67,-18.94,;54.34,-18.17,;53.01,-18.95,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCC(O)=O |(66.62,-39.55,;65.29,-38.78,;63.95,-39.56,;63.96,-41.09,;62.62,-41.87,;61.29,-41.1,;61.29,-39.56,;59.95,-38.79,;58.62,-39.56,;62.62,-38.79,;62.63,-37.26,;61.3,-36.49,;59.96,-37.26,;61.3,-34.95,;62.63,-34.18,;63.95,-34.95,;65.29,-34.18,;66.69,-34.81,;67.73,-33.67,;66.96,-32.33,;65.45,-32.65,;69.25,-33.84,;69.87,-35.25,;71.4,-35.41,;72.31,-34.17,;73.84,-34.33,;71.68,-32.76,;70.15,-32.6,;63.95,-36.49,;65.29,-37.26,;59.96,-34.19,;59.96,-32.65,;58.63,-34.96,;57.29,-34.19,;55.96,-34.97,;54.63,-34.21,;55.97,-36.51,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCCN |(15.8,-10.39,;14.47,-9.63,;13.13,-10.4,;13.14,-11.94,;11.8,-12.71,;10.47,-11.94,;10.47,-10.4,;9.14,-9.63,;7.8,-10.4,;11.8,-9.64,;11.81,-8.1,;10.48,-7.33,;9.14,-8.11,;10.48,-5.79,;11.81,-5.02,;13.13,-5.79,;14.47,-5.02,;15.87,-5.65,;16.91,-4.51,;16.14,-3.18,;14.63,-3.49,;18.43,-4.68,;19.05,-6.09,;20.58,-6.26,;21.49,-5.01,;23.02,-5.17,;20.86,-3.6,;19.33,-3.44,;13.13,-7.33,;14.47,-8.11,;9.14,-5.03,;9.14,-3.49,;7.81,-5.8,;6.47,-5.04,;5.14,-5.81,;3.81,-5.04,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCCNC |(15.79,-22.46,;14.46,-21.7,;13.13,-22.47,;13.13,-24.01,;11.79,-24.78,;10.46,-24.01,;10.46,-22.47,;9.13,-21.7,;7.79,-22.47,;11.8,-21.71,;11.8,-20.17,;10.47,-19.41,;9.14,-20.18,;10.47,-17.87,;11.8,-17.09,;13.13,-17.87,;14.46,-17.09,;15.87,-17.72,;16.9,-16.58,;16.13,-15.25,;14.63,-15.56,;18.42,-16.75,;19.04,-18.16,;20.57,-18.33,;21.48,-17.08,;23.01,-17.25,;20.85,-15.67,;19.33,-15.51,;13.13,-19.41,;14.46,-20.18,;9.13,-17.1,;9.13,-15.56,;7.8,-17.87,;6.47,-17.11,;5.13,-17.88,;3.8,-17.11,;2.47,-17.89,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCC(N)=O |(16.06,-37.02,;14.72,-36.25,;13.39,-37.02,;13.4,-38.56,;12.06,-39.34,;10.72,-38.57,;10.72,-37.03,;9.39,-36.26,;8.06,-37.02,;12.06,-36.26,;12.06,-34.72,;10.73,-33.96,;9.4,-34.73,;10.73,-32.42,;12.06,-31.64,;13.39,-32.42,;14.73,-31.65,;16.13,-32.28,;17.16,-31.14,;16.4,-29.8,;14.89,-30.11,;18.69,-31.3,;19.31,-32.71,;20.84,-32.88,;21.75,-31.63,;23.28,-31.8,;21.12,-30.22,;19.59,-30.06,;13.39,-33.96,;14.72,-34.73,;9.4,-31.65,;9.39,-30.11,;8.07,-32.43,;6.73,-31.66,;5.4,-32.43,;4.06,-31.67,;5.4,-33.97,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCCCNC |(40.75,-9.52,;39.41,-8.76,;38.08,-9.53,;38.08,-11.06,;36.75,-11.84,;35.41,-11.07,;35.41,-9.53,;34.08,-8.76,;32.74,-9.53,;36.75,-8.76,;36.75,-7.23,;35.42,-6.46,;34.09,-7.24,;35.42,-4.92,;36.75,-4.15,;38.08,-4.92,;39.41,-4.15,;40.82,-4.78,;41.85,-3.64,;41.09,-2.3,;39.58,-2.62,;43.37,-3.81,;43.99,-5.22,;45.52,-5.38,;46.44,-4.14,;47.97,-4.3,;45.81,-2.73,;44.28,-2.57,;38.08,-6.46,;39.41,-7.24,;34.08,-4.16,;34.08,-2.62,;32.75,-4.93,;31.42,-4.17,;30.09,-4.94,;28.75,-4.17,;27.42,-4.95,;26.08,-4.18,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NCc1ccccc1 |(39.87,-37.69,;38.54,-36.92,;37.21,-37.7,;37.21,-39.23,;35.87,-40.01,;34.54,-39.24,;34.54,-37.7,;33.21,-36.93,;31.87,-37.7,;35.88,-36.93,;35.88,-35.4,;34.55,-34.63,;33.22,-35.41,;34.55,-33.09,;35.88,-32.32,;37.21,-33.09,;38.54,-32.32,;39.94,-32.95,;40.98,-31.81,;40.21,-30.47,;38.7,-30.79,;42.5,-31.98,;43.12,-33.39,;44.65,-33.55,;45.56,-32.31,;47.09,-32.47,;44.93,-30.9,;43.4,-30.74,;37.21,-34.63,;38.54,-35.41,;33.21,-32.33,;33.21,-30.79,;31.88,-33.1,;30.54,-32.34,;29.21,-33.11,;27.88,-32.34,;26.55,-33.11,;26.55,-34.65,;27.9,-35.42,;29.22,-34.64,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)NC1CCCCC1 |(66.41,-10.98,;65.08,-10.21,;63.74,-10.98,;63.75,-12.52,;62.41,-13.3,;61.08,-12.53,;61.08,-10.99,;59.74,-10.22,;58.41,-10.98,;62.41,-10.22,;62.41,-8.68,;61.09,-7.92,;59.75,-8.69,;61.09,-6.38,;62.41,-5.6,;63.74,-6.38,;65.08,-5.61,;66.48,-6.24,;67.52,-5.09,;66.75,-3.76,;65.24,-4.07,;69.04,-5.26,;69.66,-6.67,;71.19,-6.84,;72.1,-5.59,;73.63,-5.76,;71.47,-4.18,;69.94,-4.02,;63.74,-7.92,;65.08,-8.69,;59.75,-5.61,;59.75,-4.07,;58.42,-6.39,;57.08,-5.62,;57.08,-4.07,;55.76,-3.31,;54.42,-4.07,;54.42,-5.62,;55.76,-6.39,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCOCC1 |(16.59,-26.68,;17.92,-25.92,;19.26,-26.68,;19.26,-28.22,;20.59,-29,;21.93,-28.22,;21.92,-26.68,;23.26,-25.91,;24.6,-26.67,;20.59,-25.92,;20.59,-24.38,;19.27,-23.61,;17.93,-24.39,;19.27,-22.07,;20.59,-21.29,;21.92,-22.07,;23.26,-21.3,;24.66,-21.93,;25.7,-20.79,;24.93,-19.45,;23.42,-19.77,;27.23,-20.95,;27.84,-22.37,;29.38,-22.53,;30.29,-21.29,;31.82,-21.45,;29.66,-19.87,;28.13,-19.71,;21.92,-23.61,;23.26,-24.39,;17.93,-21.31,;17.93,-19.77,;16.6,-22.08,;15.27,-21.3,;13.94,-22.07,;13.94,-23.61,;15.27,-24.38,;16.61,-23.61,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(16.59,-26.68,;17.92,-25.92,;19.26,-26.68,;19.26,-28.22,;20.59,-29,;21.93,-28.22,;21.92,-26.68,;23.26,-25.91,;24.6,-26.67,;20.59,-25.92,;20.59,-24.38,;19.27,-23.61,;17.93,-24.39,;19.27,-22.07,;20.59,-21.29,;21.92,-22.07,;23.26,-21.3,;24.66,-21.93,;25.7,-20.79,;24.93,-19.45,;23.42,-19.77,;27.23,-20.95,;27.84,-22.37,;29.38,-22.53,;30.29,-21.29,;31.82,-21.45,;29.66,-19.87,;28.13,-19.71,;21.92,-23.61,;23.26,-24.39,;17.93,-21.31,;17.93,-19.77,;16.6,-22.08,;15.27,-21.3,;13.94,-22.07,;13.94,-23.61,;15.27,-24.38,;16.61,-23.61,)|
CCc1cccc(CC)c1-n1c(C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCN(C)CC1 |(16.59,-26.68,;17.92,-25.92,;19.26,-26.68,;19.26,-28.22,;20.59,-29,;21.93,-28.22,;21.92,-26.68,;23.26,-25.91,;24.6,-26.67,;20.59,-25.92,;20.59,-24.38,;19.27,-23.61,;17.93,-24.39,;19.27,-22.07,;20.59,-21.29,;21.92,-22.07,;23.26,-21.3,;24.66,-21.93,;25.7,-20.79,;24.93,-19.45,;23.42,-19.77,;27.23,-20.95,;27.84,-22.37,;29.38,-22.53,;30.29,-21.29,;31.82,-21.45,;29.66,-19.87,;28.13,-19.71,;21.92,-23.61,;23.26,-24.39,;17.93,-21.31,;17.93,-19.77,;16.6,-22.08,;15.27,-21.3,;13.94,-22.07,;13.94,-23.61,;12.6,-24.37,;15.27,-24.38,;16.61,-23.61,)|
CCCc1c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c(=O)n1-c1c(CC)cccc1CC)C(=O)N1CCNCC1 |(5.12,-38.01,;6.46,-37.24,;7.79,-38,;9.12,-37.23,;9.12,-35.69,;10.45,-34.91,;11.78,-35.69,;13.11,-34.92,;14.52,-35.55,;15.55,-34.41,;14.79,-33.07,;13.28,-33.39,;17.08,-34.57,;17.7,-35.99,;19.23,-36.15,;20.14,-34.91,;21.67,-35.07,;19.51,-33.49,;17.98,-33.34,;11.78,-37.23,;13.11,-38,;10.45,-37.99,;10.45,-39.53,;11.78,-40.3,;13.11,-39.52,;14.45,-40.29,;11.79,-41.83,;10.45,-42.61,;9.11,-41.84,;9.11,-40.3,;7.78,-39.53,;6.45,-40.3,;7.79,-34.93,;6.46,-35.7,;7.78,-33.39,;9.11,-32.61,;9.11,-31.08,;7.78,-30.31,;6.44,-31.08,;6.44,-32.62,)|
CCc1cccc(CC)c1-n1c(C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(36.39,-10.92,;34.87,-10.69,;33.91,-11.9,;34.48,-13.33,;33.52,-14.55,;32,-14.32,;31.44,-12.89,;29.91,-12.66,;28.95,-13.86,;32.4,-11.68,;31.83,-10.25,;30.5,-9.49,;29.17,-10.26,;27.84,-9.49,;29.17,-11.8,;30.5,-7.95,;31.83,-7.17,;33.16,-7.95,;34.5,-7.18,;35.9,-7.81,;36.93,-6.67,;36.17,-5.33,;34.66,-5.65,;38.46,-6.83,;39.08,-8.24,;40.61,-8.41,;41.52,-7.17,;43.05,-7.33,;40.89,-5.75,;39.36,-5.59,;33.16,-9.49,;34.49,-10.26,;29.17,-7.18,;27.84,-7.96,;29.16,-5.64,;30.49,-4.87,;30.49,-3.34,;29.16,-2.56,;27.83,-3.34,;27.82,-4.88,)|
CCc1cccc(CC)c1-n1c(CC(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(35.54,-25.97,;34.19,-25.24,;32.88,-26.05,;32.92,-27.59,;31.61,-28.4,;30.25,-27.66,;30.21,-26.13,;28.86,-25.39,;27.55,-26.19,;31.53,-25.32,;31.49,-23.78,;30.16,-23.02,;28.83,-23.79,;27.33,-23.39,;26.94,-21.9,;26.24,-24.47,;30.16,-21.48,;31.49,-20.7,;32.82,-21.48,;34.15,-20.71,;35.56,-21.34,;36.59,-20.2,;35.83,-18.86,;34.32,-19.18,;38.12,-20.37,;38.74,-21.78,;40.27,-21.94,;41.18,-20.7,;42.71,-20.86,;40.55,-19.28,;39.02,-19.13,;32.82,-23.02,;34.15,-23.79,;28.83,-20.72,;27.49,-21.49,;28.82,-19.18,;30.15,-18.4,;30.15,-16.87,;28.82,-16.1,;27.48,-16.87,;27.48,-18.41,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(34.78,-41.41,;33.43,-40.68,;32.11,-41.49,;32.16,-43.02,;30.84,-43.84,;29.49,-43.1,;29.45,-41.56,;28.1,-40.83,;26.78,-41.63,;30.77,-40.76,;30.73,-39.22,;29.4,-38.46,;28.07,-39.23,;26.57,-38.83,;26.17,-37.34,;25.48,-39.91,;29.4,-36.92,;30.73,-36.14,;32.06,-36.92,;33.39,-36.15,;34.8,-36.78,;35.83,-35.64,;35.06,-34.3,;33.56,-34.62,;37.35,-35.8,;37.97,-37.22,;39.5,-37.38,;40.41,-36.14,;41.94,-36.3,;39.78,-34.72,;38.26,-34.56,;32.06,-38.46,;33.39,-39.23,;28.06,-36.15,;26.73,-36.93,;28.06,-34.61,;29.39,-33.84,;29.39,-32.31,;28.06,-31.54,;26.72,-32.31,;26.72,-33.85,)|
CCc1cccc(CC)c1-n1c(CC2CC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(57.79,-12.67,;56.44,-11.94,;55.13,-12.75,;55.18,-14.29,;53.86,-15.1,;52.5,-14.36,;52.46,-12.83,;51.11,-12.09,;49.8,-12.89,;53.78,-12.02,;53.74,-10.48,;52.41,-9.72,;51.08,-10.49,;49.58,-10.09,;48.49,-8.99,;48.08,-10.49,;52.41,-8.18,;53.74,-7.4,;55.07,-8.18,;56.41,-7.41,;57.81,-8.04,;58.84,-6.9,;58.08,-5.56,;56.57,-5.88,;60.37,-7.07,;60.99,-8.48,;62.52,-8.64,;63.43,-7.4,;64.96,-7.56,;62.8,-5.98,;61.27,-5.83,;55.07,-9.72,;56.4,-10.49,;51.08,-7.42,;49.75,-8.19,;51.07,-5.88,;52.4,-5.1,;52.4,-3.57,;51.07,-2.8,;49.73,-3.57,;49.73,-5.11,)|
CCc1cccc(CC)c1-n1c(CCOC)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(57.45,-26.55,;56.09,-25.82,;54.78,-26.63,;54.83,-28.16,;53.51,-28.97,;52.15,-28.24,;52.11,-26.7,;50.76,-25.96,;49.45,-26.77,;53.43,-25.9,;53.39,-24.36,;52.06,-23.6,;50.73,-24.37,;49.4,-23.6,;48.06,-24.37,;46.73,-23.61,;52.06,-22.06,;53.39,-21.28,;54.72,-22.06,;56.06,-21.29,;57.46,-21.92,;58.49,-20.77,;57.73,-19.44,;56.22,-19.75,;60.02,-20.94,;60.64,-22.35,;62.17,-22.52,;63.08,-21.27,;64.61,-21.44,;62.45,-19.86,;60.92,-19.7,;54.72,-23.6,;56.05,-24.37,;50.73,-21.29,;49.4,-22.07,;50.72,-19.75,;52.05,-18.98,;52.05,-17.45,;50.72,-16.67,;49.38,-17.44,;49.38,-18.99,)|
CCc1cccc(CC)c1-n1c(CCC(F)(F)F)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(57.32,-40.25,;55.97,-39.52,;54.65,-40.33,;54.7,-41.87,;53.38,-42.68,;52.03,-41.94,;51.99,-40.4,;50.64,-39.67,;49.32,-40.47,;53.31,-39.6,;53.27,-38.06,;51.94,-37.3,;50.61,-38.07,;49.27,-37.31,;47.94,-38.08,;46.6,-37.31,;47.94,-39.62,;46.6,-38.83,;51.94,-35.76,;53.27,-34.98,;54.6,-35.76,;55.93,-34.99,;57.34,-35.62,;58.37,-34.48,;57.6,-33.14,;56.1,-33.46,;59.89,-34.65,;60.51,-36.06,;62.04,-36.22,;62.95,-34.98,;64.48,-35.14,;62.32,-33.56,;60.8,-33.41,;54.6,-37.3,;55.93,-38.07,;50.6,-35,;49.27,-35.77,;50.6,-33.46,;51.93,-32.68,;51.93,-31.15,;50.6,-30.38,;49.26,-31.15,;49.26,-32.69,)|
CCc1cccc(CC)c1-n1c(CC2CCOC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(79.35,-12.05,;77.99,-11.32,;76.68,-12.13,;76.73,-13.66,;75.41,-14.48,;74.06,-13.74,;74.02,-12.2,;72.66,-11.47,;71.35,-12.27,;75.33,-11.4,;75.29,-9.86,;73.97,-9.1,;72.63,-9.87,;71.13,-9.47,;69.93,-10.44,;68.63,-9.59,;69.03,-8.09,;70.58,-8.01,;73.97,-7.56,;75.29,-6.78,;76.62,-7.56,;77.96,-6.79,;79.36,-7.42,;80.4,-6.28,;79.63,-4.94,;78.12,-5.26,;81.92,-6.44,;82.54,-7.85,;84.07,-8.02,;84.98,-6.78,;86.51,-6.94,;84.35,-5.36,;82.82,-5.2,;76.62,-9.1,;77.96,-9.87,;72.63,-6.79,;71.3,-7.57,;72.63,-5.25,;73.95,-4.48,;73.95,-2.95,;72.62,-2.18,;71.29,-2.95,;71.28,-4.49,)|
CCc1cccc(CC)c1-n1c(CC2CCOCC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(79.11,-26.1,;77.76,-25.37,;76.45,-26.18,;76.49,-27.71,;75.18,-28.52,;73.82,-27.79,;73.78,-26.25,;72.43,-25.51,;71.12,-26.32,;75.1,-25.45,;75.06,-23.91,;73.73,-23.15,;72.4,-23.92,;70.9,-23.51,;70.51,-22.01,;69.02,-21.6,;67.91,-22.69,;68.3,-24.19,;69.8,-24.61,;73.73,-21.61,;75.06,-20.83,;76.39,-21.61,;77.72,-20.83,;79.13,-21.46,;80.16,-20.32,;79.4,-18.99,;77.89,-19.3,;81.69,-20.49,;82.31,-21.9,;83.84,-22.07,;84.75,-20.82,;86.28,-20.99,;84.12,-19.41,;82.59,-19.25,;76.39,-23.15,;77.72,-23.92,;72.4,-20.84,;71.06,-21.61,;72.39,-19.3,;73.72,-18.53,;73.72,-17,;72.39,-16.22,;71.05,-16.99,;71.05,-18.54,)|
CCc1cccc(CC)c1-n1c(CC2CCNC2)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(79.87,-41.43,;78.51,-40.7,;77.2,-41.51,;77.25,-43.04,;75.93,-43.85,;74.58,-43.12,;74.54,-41.58,;73.18,-40.84,;71.87,-41.65,;75.85,-40.78,;75.81,-39.24,;74.49,-38.48,;73.15,-39.25,;71.66,-38.84,;70.45,-39.82,;69.15,-38.97,;69.55,-37.47,;71.1,-37.39,;74.49,-36.94,;75.82,-36.16,;77.15,-36.94,;78.48,-36.16,;79.88,-36.79,;80.92,-35.65,;80.15,-34.32,;78.64,-34.63,;82.44,-35.82,;83.06,-37.23,;84.59,-37.4,;85.5,-36.15,;87.03,-36.32,;84.87,-34.74,;83.34,-34.58,;77.15,-38.48,;78.48,-39.25,;73.15,-36.17,;71.82,-36.94,;73.15,-34.63,;74.48,-33.86,;74.48,-32.32,;73.14,-31.55,;71.81,-32.32,;71.81,-33.87,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C)C1 |(16.73,-13.32,;15.37,-12.59,;14.06,-13.4,;14.11,-14.93,;12.79,-15.74,;11.44,-15.01,;11.4,-13.47,;10.04,-12.73,;8.73,-13.54,;12.71,-12.67,;12.67,-11.13,;11.35,-10.37,;10.02,-11.14,;8.52,-10.73,;8.12,-9.24,;7.42,-11.82,;11.35,-8.83,;12.68,-8.05,;14.01,-8.83,;15.34,-8.06,;16.74,-8.69,;17.78,-7.54,;17.01,-6.21,;15.5,-6.52,;19.3,-7.71,;19.92,-9.12,;21.45,-9.29,;22.36,-8.04,;23.89,-8.21,;21.73,-6.63,;20.2,-6.47,;14.01,-10.37,;15.34,-11.14,;10.01,-8.06,;8.68,-8.84,;10.01,-6.52,;11.34,-5.75,;11.34,-4.22,;10,-3.44,;8.67,-4.21,;7.34,-3.44,;8.67,-5.76,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1C |(16.32,-26.44,;14.96,-25.71,;13.65,-26.52,;13.7,-28.05,;12.38,-28.87,;11.02,-28.13,;10.99,-26.59,;9.63,-25.86,;8.32,-26.66,;12.3,-25.79,;12.26,-24.25,;10.94,-23.49,;9.6,-24.26,;8.1,-23.85,;7.71,-22.37,;7.01,-24.94,;10.94,-21.95,;12.26,-21.17,;13.59,-21.95,;14.93,-21.18,;16.33,-21.81,;17.37,-20.67,;16.6,-19.33,;15.09,-19.65,;18.89,-20.83,;19.51,-22.24,;21.04,-22.41,;21.95,-21.17,;23.48,-21.33,;21.32,-19.75,;19.79,-19.59,;13.59,-23.49,;14.93,-24.26,;9.6,-21.18,;8.27,-21.96,;9.6,-19.64,;10.92,-18.87,;10.92,-17.34,;9.59,-16.56,;8.26,-17.34,;8.25,-18.88,;6.92,-19.65,)|
CCC1CN(CCN1)C(=O)c1cc(-c2nc(cs2)-c2ccc(Cl)cc2)c(=O)n(c1C=C(C)C)-c1c(CC)cccc1CC |(7.43,-30.07,;7.43,-31.61,;8.76,-32.38,;8.76,-33.92,;10.1,-34.68,;11.43,-33.91,;11.43,-32.38,;10.1,-31.61,;10.11,-36.22,;8.77,-37,;11.44,-36.99,;12.77,-36.21,;14.1,-36.99,;15.43,-36.22,;16.84,-36.85,;17.87,-35.71,;17.11,-34.37,;15.6,-34.69,;19.39,-35.87,;20.02,-37.29,;21.54,-37.45,;22.46,-36.21,;23.99,-36.37,;21.83,-34.79,;20.3,-34.63,;14.1,-38.53,;15.43,-39.3,;12.77,-39.29,;11.44,-38.53,;10.11,-39.3,;8.61,-38.9,;8.22,-37.41,;7.52,-39.98,;12.81,-40.83,;14.16,-41.56,;15.47,-40.75,;16.82,-41.48,;14.2,-43.09,;12.89,-43.91,;11.53,-43.17,;11.49,-41.63,;10.14,-40.9,;8.82,-41.7,)|
CCCC1CN(CCN1)C(=O)c1cc(-c2nc(cs2)-c2ccc(Cl)cc2)c(=O)n(c1C=C(C)C)-c1c(CC)cccc1CC |(28.91,-2.46,;30.24,-3.23,;30.24,-4.77,;31.57,-5.54,;31.57,-7.08,;32.91,-7.84,;34.24,-7.07,;34.24,-5.54,;32.91,-4.77,;32.92,-9.38,;31.59,-10.16,;34.25,-10.15,;35.58,-9.37,;36.91,-10.15,;38.25,-9.38,;39.65,-10.01,;40.68,-8.87,;39.92,-7.53,;38.41,-7.85,;42.21,-9.03,;42.83,-10.44,;44.36,-10.61,;45.27,-9.37,;46.8,-9.53,;44.64,-7.95,;43.11,-7.79,;36.91,-11.69,;38.24,-12.46,;35.58,-12.45,;34.25,-11.69,;32.92,-12.46,;31.42,-12.06,;31.03,-10.57,;30.33,-13.14,;35.62,-13.99,;36.97,-14.72,;38.28,-13.91,;39.63,-14.64,;37.01,-16.25,;35.7,-17.07,;34.34,-16.33,;34.3,-14.79,;32.95,-14.06,;31.64,-14.86,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC2(CC2)C1 |(38.63,-28.74,;37.28,-28.01,;35.96,-28.82,;36.01,-30.36,;34.69,-31.17,;33.34,-30.43,;33.3,-28.89,;31.95,-28.16,;30.63,-28.96,;34.62,-28.09,;34.58,-26.55,;33.25,-25.79,;31.92,-26.56,;30.42,-26.16,;30.02,-24.67,;29.33,-27.24,;33.25,-24.25,;34.58,-23.47,;35.91,-24.25,;37.24,-23.48,;38.65,-24.11,;39.68,-22.97,;38.91,-21.63,;37.41,-21.95,;41.2,-23.13,;41.82,-24.55,;43.35,-24.71,;44.26,-23.47,;45.8,-23.63,;43.63,-22.05,;42.11,-21.89,;35.91,-25.79,;37.24,-26.56,;31.91,-23.48,;30.58,-24.26,;31.91,-21.94,;33.24,-21.17,;33.24,-19.64,;31.91,-18.87,;30.57,-19.63,;29.03,-19.62,;29.8,-18.29,;30.57,-21.18,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(CO)C1 |(39.34,-43.55,;37.98,-42.82,;36.67,-43.63,;36.72,-45.16,;35.4,-45.98,;34.05,-45.24,;34.01,-43.7,;32.65,-42.97,;31.34,-43.77,;35.32,-42.9,;35.28,-41.36,;33.96,-40.6,;32.62,-41.37,;31.13,-40.97,;30.73,-39.48,;30.03,-42.05,;33.96,-39.06,;35.29,-38.28,;36.62,-39.06,;37.95,-38.29,;39.35,-38.92,;40.39,-37.78,;39.62,-36.44,;38.11,-36.76,;41.91,-37.94,;42.53,-39.35,;44.06,-39.52,;44.97,-38.28,;46.5,-38.44,;44.34,-36.86,;42.81,-36.7,;36.62,-40.6,;37.95,-41.37,;32.62,-38.29,;31.29,-39.07,;32.62,-36.75,;33.95,-35.98,;33.95,-34.45,;32.61,-33.68,;31.28,-34.45,;29.95,-33.68,;29.95,-32.14,;31.28,-35.99,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(=O)C1 |(61.23,-13.13,;59.88,-12.39,;58.57,-13.2,;58.61,-14.74,;57.3,-15.55,;55.94,-14.81,;55.9,-13.28,;54.55,-12.54,;53.23,-13.34,;57.22,-12.47,;57.18,-10.93,;55.85,-10.17,;54.52,-10.95,;53.02,-10.54,;52.63,-9.05,;51.93,-11.62,;55.85,-8.63,;57.18,-7.86,;58.51,-8.63,;59.84,-7.86,;61.25,-8.49,;62.28,-7.35,;61.52,-6.01,;60.01,-6.33,;63.8,-7.52,;64.43,-8.93,;65.96,-9.09,;66.87,-7.85,;68.4,-8.01,;66.24,-6.44,;64.71,-6.28,;58.51,-10.17,;59.84,-10.95,;54.52,-7.87,;53.18,-8.64,;54.51,-6.33,;55.84,-5.56,;55.84,-4.02,;54.51,-3.25,;53.17,-4.02,;51.84,-3.25,;53.17,-5.57,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(F)(F)F |(60.74,-27.67,;59.39,-26.94,;58.08,-27.75,;58.12,-29.28,;56.81,-30.09,;55.45,-29.36,;55.41,-27.82,;54.06,-27.08,;52.74,-27.89,;56.73,-27.02,;56.69,-25.48,;55.36,-24.72,;54.03,-25.49,;52.53,-25.08,;52.14,-23.59,;51.44,-26.17,;55.36,-23.18,;56.69,-22.4,;58.02,-23.18,;59.35,-22.41,;60.76,-23.04,;61.79,-21.89,;61.03,-20.56,;59.52,-20.87,;63.32,-22.06,;63.94,-23.47,;65.47,-23.64,;66.38,-22.39,;67.91,-22.56,;65.75,-20.98,;64.22,-20.82,;58.02,-24.72,;59.35,-25.49,;54.03,-22.41,;52.69,-23.19,;54.02,-20.87,;55.35,-20.1,;55.35,-18.57,;54.02,-17.79,;52.68,-18.56,;52.68,-20.11,;51.35,-17.79,;51.35,-16.25,;49.81,-17.78,;50.57,-19.12,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C#N |(60.34,-42.18,;58.98,-41.45,;57.67,-42.26,;57.72,-43.79,;56.4,-44.61,;55.05,-43.87,;55.01,-42.33,;53.65,-41.6,;52.34,-42.4,;56.32,-41.53,;56.28,-39.99,;54.96,-39.23,;53.62,-40,;52.13,-39.6,;51.73,-38.11,;51.03,-40.68,;54.96,-37.69,;56.29,-36.91,;57.62,-37.69,;58.95,-36.92,;60.35,-37.55,;61.39,-36.41,;60.62,-35.07,;59.11,-35.39,;62.91,-36.57,;63.53,-37.99,;65.06,-38.15,;65.97,-36.91,;67.5,-37.07,;65.34,-35.49,;63.81,-35.33,;57.62,-39.23,;58.95,-40,;53.62,-36.92,;52.29,-37.7,;53.62,-35.38,;54.95,-34.61,;54.95,-33.08,;53.61,-32.31,;52.28,-33.08,;52.28,-34.62,;50.94,-32.31,;49.61,-31.54,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(O)=O |(81.66,-16.59,;80.31,-15.86,;79,-16.67,;79.04,-18.21,;77.73,-19.02,;76.37,-18.28,;76.33,-16.75,;74.98,-16.01,;73.67,-16.81,;77.65,-15.94,;77.61,-14.4,;76.28,-13.64,;74.95,-14.41,;73.45,-14.01,;73.06,-12.52,;72.36,-15.09,;76.28,-12.1,;77.61,-11.32,;78.94,-12.1,;80.28,-11.33,;81.68,-11.96,;82.71,-10.82,;81.95,-9.48,;80.44,-9.8,;84.24,-10.99,;84.86,-12.4,;86.39,-12.56,;87.3,-11.32,;88.83,-11.48,;86.67,-9.9,;85.14,-9.75,;78.94,-13.64,;80.27,-14.41,;74.95,-11.34,;73.62,-12.11,;74.94,-9.8,;76.27,-9.02,;76.27,-7.49,;74.94,-6.72,;73.6,-7.49,;73.6,-9.03,;72.27,-6.72,;72.26,-5.18,;70.93,-7.49,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNC(C1)C(N)=O |(81.26,-31.34,;79.9,-30.61,;78.59,-31.42,;78.64,-32.95,;77.32,-33.77,;75.97,-33.03,;75.93,-31.49,;74.58,-30.76,;73.26,-31.56,;77.25,-30.69,;77.21,-29.15,;75.88,-28.39,;74.55,-29.16,;73.05,-28.75,;72.65,-27.27,;71.96,-29.84,;75.88,-26.85,;77.21,-26.07,;78.54,-26.85,;79.87,-26.08,;81.28,-26.71,;82.31,-25.57,;81.54,-24.23,;80.04,-24.55,;83.83,-25.73,;84.45,-27.14,;85.98,-27.31,;86.89,-26.07,;88.42,-26.23,;86.26,-24.65,;84.74,-24.49,;78.54,-28.39,;79.87,-29.16,;74.54,-26.08,;73.21,-26.86,;74.54,-24.54,;75.87,-23.77,;75.87,-22.24,;74.54,-21.46,;73.2,-22.24,;73.2,-23.78,;71.87,-21.46,;71.86,-19.92,;70.53,-22.23,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2(CNC2)C1 |(15.52,-13.36,;14.17,-12.63,;12.86,-13.44,;12.9,-14.97,;11.59,-15.78,;10.23,-15.05,;10.19,-13.51,;8.84,-12.77,;7.53,-13.58,;11.51,-12.71,;11.47,-11.17,;10.14,-10.41,;8.81,-11.18,;7.31,-10.77,;6.92,-9.28,;6.22,-11.86,;10.14,-8.87,;11.47,-8.09,;12.8,-8.87,;14.13,-8.09,;15.54,-8.73,;16.57,-7.58,;15.81,-6.25,;14.3,-6.56,;18.1,-7.75,;18.72,-9.16,;20.25,-9.33,;21.16,-8.08,;22.69,-8.25,;20.53,-6.67,;19,-6.51,;12.8,-10.41,;14.13,-11.18,;8.81,-8.1,;7.47,-8.87,;8.8,-6.56,;9.89,-5.48,;8.79,-4.38,;9.88,-3.29,;8.78,-2.2,;7.69,-3.29,;7.71,-5.48,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CC2CCC(C1)N2 |TLB:33:35:42:38.39,(16.11,-27.82,;14.75,-27.09,;13.44,-27.89,;13.49,-29.43,;12.17,-30.24,;10.82,-29.51,;10.78,-27.97,;9.42,-27.23,;8.11,-28.04,;12.09,-27.16,;12.05,-25.63,;10.73,-24.87,;9.39,-25.64,;7.89,-25.23,;7.5,-23.74,;6.8,-26.32,;10.73,-23.33,;12.05,-22.55,;13.38,-23.33,;14.72,-22.55,;16.12,-23.18,;17.16,-22.04,;16.39,-20.71,;14.88,-21.02,;18.68,-22.21,;19.3,-23.62,;20.83,-23.79,;21.74,-22.54,;23.27,-22.71,;21.11,-21.13,;19.58,-20.97,;13.38,-24.87,;14.72,-25.64,;9.39,-22.56,;8.06,-23.33,;9.39,-21.02,;8.41,-20.21,;6.57,-20.21,;5.58,-21.56,;6.76,-20.84,;7.36,-19.51,;9.12,-19.47,;6.3,-18.67,)|
CCc1cccc(CC)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1C2CCC1CNC2 |THB:33:35:41.42.40:37.38,(15.96,-41.01,;14.6,-40.28,;13.29,-41.09,;13.34,-42.62,;12.02,-43.43,;10.67,-42.7,;10.63,-41.16,;9.27,-40.42,;7.96,-41.23,;11.94,-40.36,;11.9,-38.82,;10.58,-38.06,;9.25,-38.83,;7.75,-38.42,;7.35,-36.93,;6.65,-39.51,;10.58,-36.52,;11.91,-35.74,;13.24,-36.52,;14.57,-35.74,;15.97,-36.37,;17.01,-35.23,;16.24,-33.9,;14.73,-34.21,;18.53,-35.4,;19.15,-36.81,;20.68,-36.98,;21.59,-35.73,;23.12,-35.9,;20.96,-34.32,;19.43,-34.16,;13.24,-38.06,;14.57,-38.83,;9.24,-35.75,;7.91,-36.52,;9.24,-34.21,;8.46,-32.85,;8.93,-31.25,;8.06,-32.33,;7.96,-33.79,;6.32,-34.43,;5.54,-33.07,;6.74,-33.49,)|
[#6]\[#6](-[#6])=[#6]/c1c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c(=O)n1-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1
CCc1ccccc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.88,-27.83,;30.2,-27.02,;31.55,-27.76,;31.59,-29.3,;32.94,-30.03,;34.26,-29.22,;34.21,-27.68,;32.87,-26.95,;32.83,-25.42,;31.5,-24.66,;30.17,-25.43,;28.67,-25.02,;28.27,-23.53,;27.58,-26.11,;31.5,-23.12,;32.83,-22.34,;34.16,-23.12,;35.49,-22.34,;36.9,-22.97,;37.93,-21.83,;37.16,-20.5,;35.66,-20.81,;39.45,-22,;40.07,-23.41,;41.6,-23.58,;42.51,-22.33,;44.05,-22.5,;41.88,-20.92,;40.36,-20.76,;34.16,-24.66,;35.49,-25.43,;30.16,-22.35,;28.83,-23.12,;30.16,-20.81,;31.5,-20.04,;31.5,-18.51,;30.17,-17.73,;28.83,-18.51,;28.83,-20.05,)|
CCc1cccc(C)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(28.42,-42.16,;29.73,-41.36,;31.08,-42.09,;31.12,-43.63,;32.48,-44.37,;33.79,-43.55,;33.75,-42.02,;35.06,-41.21,;32.4,-41.29,;32.36,-39.75,;31.03,-38.99,;29.7,-39.76,;28.2,-39.36,;27.81,-37.87,;27.11,-40.44,;31.03,-37.45,;32.36,-36.67,;33.69,-37.45,;35.02,-36.68,;36.43,-37.31,;37.46,-36.17,;36.7,-34.83,;35.19,-35.15,;38.99,-36.33,;39.61,-37.74,;41.14,-37.91,;42.05,-36.67,;43.58,-36.83,;41.42,-35.25,;39.89,-35.09,;33.69,-38.99,;35.02,-39.76,;29.7,-36.68,;28.37,-37.46,;29.69,-35.14,;31.03,-34.37,;31.03,-32.84,;29.7,-32.07,;28.37,-32.84,;28.36,-34.38,)|
CCc1cccc(Cl)c1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(52.93,-11.96,;54.25,-11.16,;55.6,-11.89,;55.64,-13.43,;56.99,-14.17,;58.31,-13.35,;58.26,-11.82,;59.57,-11.01,;56.91,-11.09,;56.88,-9.55,;55.55,-8.79,;54.22,-9.56,;52.72,-9.15,;52.32,-7.67,;51.63,-10.24,;55.55,-7.25,;56.88,-6.47,;58.21,-7.25,;59.54,-6.48,;60.95,-7.11,;61.98,-5.97,;61.21,-4.63,;59.71,-4.95,;63.5,-6.13,;64.12,-7.54,;65.65,-7.71,;66.56,-6.47,;68.09,-6.63,;65.93,-5.05,;64.41,-4.89,;58.21,-8.79,;59.54,-9.56,;54.21,-6.48,;52.88,-7.26,;54.21,-4.94,;55.55,-4.17,;55.55,-2.64,;54.22,-1.87,;52.88,-2.64,;52.88,-4.18,)|
CCc1ccc(C)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(53.1,-26.6,;54.42,-25.79,;55.77,-26.53,;55.81,-28.07,;57.16,-28.8,;58.48,-27.99,;59.84,-28.72,;58.43,-26.46,;57.09,-25.73,;57.05,-24.19,;55.72,-23.43,;54.39,-24.2,;52.89,-23.79,;52.49,-22.3,;51.8,-24.88,;55.72,-21.89,;57.05,-21.11,;58.38,-21.89,;59.71,-21.11,;61.12,-21.74,;62.15,-20.6,;61.38,-19.27,;59.88,-19.58,;63.67,-20.77,;64.29,-22.18,;65.82,-22.35,;66.73,-21.1,;68.27,-21.27,;66.1,-19.69,;64.58,-19.53,;58.38,-23.43,;59.71,-24.2,;54.38,-21.12,;53.05,-21.89,;54.38,-19.58,;55.72,-18.81,;55.72,-17.28,;54.39,-16.5,;53.05,-17.28,;53.05,-18.82,)|
CCc1ccc(OC)cc1-n1c(C=C(C)C)c(cc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O)C(=O)N1CCNCC1 |(73.5,-12.39,;74.81,-11.58,;76.16,-12.32,;76.2,-13.86,;77.56,-14.59,;78.87,-13.78,;80.23,-14.51,;80.28,-16.05,;78.83,-12.25,;77.48,-11.52,;77.44,-9.98,;76.11,-9.22,;74.78,-9.99,;73.28,-9.58,;72.89,-8.09,;72.19,-10.67,;76.11,-7.68,;77.44,-6.9,;78.77,-7.68,;80.1,-6.9,;81.51,-7.54,;82.54,-6.39,;81.78,-5.06,;80.27,-5.37,;84.07,-6.56,;84.69,-7.97,;86.22,-8.14,;87.13,-6.89,;88.66,-7.06,;86.5,-5.48,;84.97,-5.32,;78.77,-9.22,;80.1,-9.99,;74.78,-6.91,;73.45,-7.68,;74.77,-5.37,;76.11,-4.6,;76.11,-3.07,;74.78,-2.3,;73.45,-3.07,;73.44,-4.61,)|
COc1ccc(OC)c(c1)-n1cccc(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2nc3ccc(Cl)cc3s2)c1=O |(13.52,-17.13,;13.52,-15.59,;12.19,-14.82,;10.85,-15.59,;9.52,-14.81,;9.53,-13.27,;8.2,-12.49,;6.86,-13.25,;10.87,-12.51,;12.19,-13.28,;10.88,-10.97,;9.55,-10.2,;8.23,-10.96,;6.9,-10.2,;6.12,-11.53,;5.36,-10.19,;6.9,-8.66,;8.23,-7.88,;8.23,-6.34,;9.56,-8.66,;10.89,-7.89,;12.22,-8.67,;13.55,-7.9,;14.96,-8.53,;15.99,-7.4,;17.52,-7.41,;18.3,-6.08,;17.53,-4.74,;18.31,-3.41,;16,-4.73,;15.23,-6.06,;13.72,-6.37,;12.21,-10.21,;13.54,-10.99,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-c2cn(cn2)-c2ccc(Cl)cc2)c1=O |(31.08,-26.66,;31.08,-25.12,;29.75,-24.34,;28.41,-25.11,;27.08,-24.34,;27.09,-22.8,;25.76,-22.02,;24.42,-22.78,;28.43,-22.04,;29.76,-22.81,;28.44,-20.5,;27.12,-19.73,;25.79,-20.49,;24.46,-19.73,;23.69,-21.06,;22.92,-19.72,;24.46,-18.19,;25.79,-17.41,;25.79,-15.87,;27.12,-18.19,;28.45,-17.42,;29.78,-18.2,;31.11,-17.44,;32.52,-18.07,;33.55,-16.93,;32.79,-15.59,;31.28,-15.91,;35.08,-17.1,;35.69,-18.51,;37.22,-18.68,;38.14,-17.44,;39.67,-17.61,;37.51,-16.02,;35.98,-15.86,;29.78,-19.74,;31.11,-20.52,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(-n2cc(cn2)-c2ccccc2)c1=O |(72.72,-28.77,;72.72,-27.23,;71.39,-26.46,;70.05,-27.23,;68.72,-26.45,;68.73,-24.91,;67.4,-24.13,;66.06,-24.89,;70.07,-24.15,;71.39,-24.92,;70.07,-22.61,;68.75,-21.84,;67.43,-22.6,;66.1,-21.84,;65.32,-23.17,;64.56,-21.83,;66.1,-20.3,;67.43,-19.52,;67.43,-17.98,;68.76,-20.3,;70.09,-19.53,;71.42,-20.31,;72.75,-19.55,;74.15,-20.19,;75.19,-19.05,;74.42,-17.71,;72.92,-18.02,;76.71,-19.21,;77.33,-20.63,;78.86,-20.8,;79.77,-19.55,;79.15,-18.14,;77.62,-17.98,;71.41,-21.85,;72.74,-22.63,)|
COc1ccc(OC)c(c1)-n1c2CC(C)(C)CC(=O)c2cc(C(=O)NCc2ccc(Cl)cc2)c1=O |(33,-14.01,;33,-12.47,;31.67,-11.7,;30.33,-12.47,;29,-11.69,;29.01,-10.15,;27.68,-9.37,;26.34,-10.13,;30.35,-9.39,;31.67,-10.16,;30.36,-7.85,;29.03,-7.08,;27.71,-7.84,;26.38,-7.08,;25.61,-8.41,;24.84,-7.07,;26.38,-5.54,;27.71,-4.76,;27.71,-3.22,;29.04,-5.54,;30.37,-4.77,;31.7,-5.55,;33.04,-4.79,;33.04,-3.25,;34.37,-5.56,;35.7,-4.8,;37.03,-5.57,;37.02,-7.11,;38.35,-7.89,;39.69,-7.12,;41.02,-7.89,;39.69,-5.57,;38.36,-4.81,;31.7,-7.09,;33.03,-7.87,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(N3CC4CCC3CO4)c(F)c12 |r,wU:7.10,wD:4.3,(6.06,11.28,;5.29,12.61,;6.06,13.94,;3.75,12.61,;2.98,11.28,;1.44,11.28,;.67,9.94,;1.44,8.61,;2.98,8.61,;3.75,9.94,;.67,7.28,;-.87,7.28,;1.44,5.94,;2.98,5.94,;3.94,4.74,;5.41,5.19,;6.54,4.14,;6.2,2.64,;4.72,2.19,;3.59,3.24,;2.21,2.57,;.82,3.24,;-.31,2.19,;-1.78,2.64,;-2.12,4.14,;-3.59,4.6,;-4.72,3.55,;-6.2,4.01,;-5.25,5.78,;-4.94,4.48,;-3.94,6.1,;-5.41,6.55,;-6.54,5.51,;-.99,5.19,;-1.34,6.69,;.48,4.74,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cc(F)c(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(6.06,11.28,;5.29,12.61,;6.06,13.94,;3.75,12.61,;2.98,11.28,;1.44,11.28,;.67,9.94,;1.44,8.61,;2.98,8.61,;3.75,9.94,;.67,7.28,;-.87,7.28,;1.44,5.94,;2.98,5.94,;3.94,4.74,;5.41,5.19,;6.54,4.14,;6.2,2.64,;4.72,2.19,;3.59,3.24,;2.21,2.57,;.82,3.24,;-.31,2.19,;-1.78,2.64,;-2.91,1.6,;-2.12,4.14,;-.99,5.19,;.48,4.74,;-3.59,4.6,;-4.72,3.55,;-6.2,4.01,;-5.25,5.78,;-4.94,4.48,;-3.94,6.1,;-5.41,6.55,;-6.54,5.51,)|
Fc1cnc2Nc3ccc(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1C[C@@H]2C[C@H]1CO2 |r|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(cnc2Nc2ccc(cc12)N1CC2CCC1CO2)S(C)(=O)=O |r,wU:7.10,wD:4.3,(6.76,5.45,;5.67,4.36,;6.07,2.87,;4.18,4.76,;3.09,3.67,;1.6,4.07,;.51,2.98,;.91,1.49,;2.4,1.09,;3.49,2.18,;-.18,.4,;-1.66,.8,;.22,-1.09,;1.72,-1.43,;2.4,-2.81,;3.91,-2.7,;4.76,-3.97,;4.1,-5.34,;2.58,-5.45,;1.72,-4.18,;.23,-4.53,;-.98,-3.58,;-2.3,-4.34,;-3.64,-3.58,;-3.64,-2.04,;-2.31,-1.27,;-.98,-2.04,;-4.97,-1.27,;-6.31,-2.04,;-7.64,-1.27,;-6.87,.07,;-5.98,-1.06,;-4.97,.27,;-6.31,1.04,;-7.64,.27,;6.3,-3.97,;7.07,-5.31,;7.64,-3.2,;6.3,-2.43,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(C)cnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(7.2,5.45,;6.11,4.36,;6.51,2.87,;4.62,4.76,;3.53,3.67,;2.04,4.07,;.96,2.98,;1.35,1.49,;2.84,1.09,;3.93,2.18,;.27,.4,;-1.22,.8,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;6.75,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.53,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;-4.53,-1.27,;-5.86,-2.04,;-7.2,-1.27,;-6.43,.07,;-5.54,-1.06,;-4.53,.27,;-5.86,1.04,;-7.2,.27,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(Cl)cnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(7.2,5.45,;6.11,4.36,;6.51,2.87,;4.62,4.76,;3.53,3.67,;2.04,4.07,;.96,2.98,;1.35,1.49,;2.84,1.09,;3.93,2.18,;.27,.4,;-1.22,.8,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;6.75,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.53,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;-4.53,-1.27,;-5.86,-2.04,;-7.2,-1.27,;-6.43,.07,;-5.54,-1.06,;-4.53,.27,;-5.86,1.04,;-7.2,.27,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,(6.54,2.79,;6.19,4.29,;7.32,5.34,;4.72,4.74,;3.59,3.7,;2.12,4.15,;.99,3.1,;1.34,1.6,;2.81,1.15,;3.94,2.2,;.21,.55,;-1.26,1.01,;.55,-.95,;2.05,-1.29,;2.72,-2.68,;4.25,-2.56,;5.12,-3.83,;6.66,-3.72,;4.45,-5.22,;2.92,-5.34,;2.05,-4.07,;.55,-4.41,;-.65,-3.45,;-1.99,-4.22,;-3.32,-3.45,;-3.32,-1.91,;-1.99,-1.14,;-.65,-1.91,;-4.66,-1.14,;-4.66,.4,;-5.99,1.17,;-5.59,-.32,;-6.77,-.68,;-5.99,-1.91,;-7.32,-1.14,;-7.32,.4,)|
[H][C@]12CC[C@]([H])(CC(C1)OC)N2c1ccc2Nc3ncccc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2c1 |r|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2(C1)CCCOC2 |r,wU:7.10,wD:4.3,(7.13,5.88,;6.36,4.54,;7.13,3.21,;4.82,4.54,;4.05,3.21,;2.51,3.21,;1.74,1.88,;2.51,.54,;4.05,.54,;4.82,1.88,;1.74,-.79,;.2,-.79,;2.51,-2.12,;4.05,-2.12,;5.01,-3.33,;6.48,-2.87,;7.61,-3.92,;7.27,-5.42,;5.8,-5.88,;4.67,-4.83,;3.28,-5.5,;1.9,-4.83,;.77,-5.88,;-.7,-5.42,;-1.05,-3.92,;.08,-2.87,;1.55,-3.33,;-2.54,-3.52,;-3.31,-2.19,;-4.64,-2.96,;-3.87,-4.29,;-5.73,-4.05,;-7.22,-3.65,;-7.61,-2.16,;-6.52,-1.07,;-5.04,-1.47,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2C[C@H]1CO2 |r,wU:7.10,29.33,wD:4.3,31.34,THB:24:27:32.33:30,(6.2,5.88,;5.43,4.54,;6.2,3.21,;3.89,4.54,;3.12,3.21,;1.58,3.21,;.81,1.88,;1.58,.54,;3.12,.54,;3.89,1.88,;.81,-.79,;-.73,-.79,;1.58,-2.12,;3.12,-2.12,;4.08,-3.33,;5.55,-2.87,;6.68,-3.92,;6.34,-5.42,;4.87,-5.88,;3.74,-4.83,;2.35,-5.5,;.97,-4.83,;-.16,-5.88,;-1.64,-5.42,;-1.98,-3.92,;-.85,-2.87,;.62,-3.33,;-3.47,-3.52,;-3.86,-2.04,;-5.2,-2.8,;-6.68,-2.41,;-4.8,-4.29,;-5.57,-5.63,;-5.96,-4.14,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r,wU:7.10,wD:4.3,TLB:24:27:33.34:30.31,(-6.84,-6.23,;-5.37,-5.78,;-4.24,-6.83,;-5.03,-4.28,;-3.55,-3.82,;-2.42,-4.87,;-.95,-4.42,;-.61,-2.92,;-1.74,-1.87,;-3.21,-2.32,;.86,-2.46,;1.99,-3.51,;1.2,-.96,;;,1.54,;-1.43,2.1,;-1.66,3.63,;-.46,4.59,;.97,4.02,;1.2,2.5,;2.71,2.16,;3.37,.77,;4.91,.89,;5.78,-.39,;5.11,-1.77,;3.57,-1.89,;2.71,-.62,;5.98,-3.05,;6.16,-4.49,;7.5,-5.2,;9.04,-4.65,;8.93,-3.23,;7.33,-3.79,;6.93,-5.71,;7.31,-6.87,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |r,wU:4.3,wD:7.10,(3.77,6.54,;3,5.21,;1.46,5.21,;3.77,3.88,;3,2.54,;3.77,1.21,;3,-.12,;1.46,-.12,;.69,1.21,;1.46,2.54,;.69,-1.46,;-.85,-1.46,;1.46,-2.79,;3,-2.79,;3.96,-4,;5.43,-3.54,;6.56,-4.59,;6.22,-6.09,;4.75,-6.54,;3.62,-5.5,;2.23,-6.17,;.84,-5.5,;-.29,-6.54,;-1.76,-6.09,;-2.1,-4.59,;-.97,-3.54,;.5,-4,;-3.59,-4.19,;-3.99,-2.7,;-5.47,-2.3,;-6.56,-3.39,;-6.16,-4.88,;-4.68,-5.28,)|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r|
[H][C@]12CN(c3ccc4Nc5ncccc5C(C)N(C(=O)[C@H]5CC[C@@H](CC5)OC(C)C)c4c3)[C@]([H])(CO1)C2 |r,wU:20.20,1.0,32.36,wD:23.27,(-5.47,2.53,;-5.86,1.04,;-4.53,.27,;-4.53,-1.27,;-3.2,-2.04,;-3.2,-3.58,;-1.86,-4.34,;-.53,-3.58,;.67,-4.53,;2.17,-4.18,;3.02,-5.45,;4.54,-5.34,;5.21,-3.97,;4.36,-2.7,;2.84,-2.81,;2.17,-1.43,;3.25,-.34,;.66,-1.09,;.27,.4,;-1.22,.8,;1.35,1.49,;.96,2.98,;2.04,4.07,;3.53,3.67,;3.93,2.18,;2.84,1.09,;4.62,4.76,;6.11,4.36,;7.2,5.45,;6.51,2.87,;-.53,-2.04,;-1.86,-1.27,;-5.86,-2.04,;-5.86,-3.58,;-7.2,-1.27,;-7.2,.27,;-6.26,-.55,)|
[H][C@]12CN(c3ccc4Nc5ncncc5CN(C(=O)[C@H]5CC[C@@H](CC5)OC(C)C)c4c3)[C@]([H])(CO1)C2 |r,wU:19.19,1.0,31.35,wD:22.26,(-5.47,2.53,;-5.86,1.04,;-4.53,.27,;-4.53,-1.27,;-3.2,-2.04,;-3.2,-3.58,;-1.86,-4.34,;-.53,-3.58,;.67,-4.53,;2.17,-4.18,;3.02,-5.45,;4.54,-5.34,;5.21,-3.97,;4.36,-2.7,;2.84,-2.81,;2.17,-1.43,;.66,-1.09,;.27,.4,;-1.22,.8,;1.35,1.49,;.96,2.98,;2.04,4.07,;3.53,3.67,;3.93,2.18,;2.84,1.09,;4.62,4.76,;6.11,4.36,;7.2,5.45,;6.51,2.87,;-.53,-2.04,;-1.86,-1.27,;-5.86,-2.04,;-5.86,-3.58,;-7.2,-1.27,;-7.2,.27,;-6.26,-.55,)|
[H][C@]12CN(c3cc4N(Cc5cccnc5Nc4cn3)C(=O)[C@H]3CC[C@@H](CC3)OC(C)C)[C@]([H])(CO1)C2 |r,wU:21.23,1.0,31.35,wD:24.30,(-5.47,2.53,;-5.86,1.04,;-4.53,.27,;-4.53,-1.27,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.53,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;.27,.4,;-1.22,.8,;1.35,1.49,;.96,2.98,;2.04,4.07,;3.53,3.67,;3.93,2.18,;2.84,1.09,;4.62,4.76,;6.11,4.36,;7.2,5.45,;6.51,2.87,;-5.86,-2.04,;-5.86,-3.58,;-7.2,-1.27,;-7.2,.27,;-6.26,-.55,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cnn(CC3CCOCC3)c12 |r,wU:7.10,wD:4.3,(7.03,5.45,;5.94,4.36,;6.34,2.87,;4.45,4.76,;3.36,3.67,;1.88,4.07,;.79,2.98,;1.19,1.49,;2.67,1.09,;3.76,2.18,;.1,.4,;-1.39,.8,;.49,-1.09,;2,-1.43,;2.67,-2.81,;4.19,-2.7,;5.04,-3.97,;4.37,-5.34,;2.85,-5.45,;2,-4.18,;.5,-4.53,;-.7,-3.58,;-2.17,-4.05,;-3.07,-2.81,;-2.17,-1.56,;-2.57,-.07,;-4.05,.33,;-5.14,-.76,;-6.63,-.36,;-7.03,1.12,;-5.94,2.21,;-4.45,1.81,;-.7,-2.04,)|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)-c1cnn(C)c1 |r|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2nccnc2Nc2ccc(cc12)C1CCOCC1 |r,wU:7.10,wD:4.3,(7.2,5.45,;6.11,4.36,;6.51,2.87,;4.62,4.76,;3.53,3.67,;2.04,4.07,;.96,2.98,;1.35,1.49,;2.84,1.09,;3.93,2.18,;.27,.4,;-1.22,.8,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.53,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;-4.53,-1.27,;-5.86,-2.04,;-7.2,-1.27,;-7.2,.27,;-5.86,1.04,;-4.53,.27,)|
CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cnc(cc12)C1COCCO1 |r,wU:7.10,wD:4.3,(7.2,5.45,;6.11,4.36,;6.51,2.87,;4.62,4.76,;3.53,3.67,;2.04,4.07,;.96,2.98,;1.35,1.49,;2.84,1.09,;3.93,2.18,;.27,.4,;-1.22,.8,;.66,-1.09,;2.17,-1.43,;2.84,-2.81,;4.36,-2.7,;5.21,-3.97,;4.54,-5.34,;3.02,-5.45,;2.17,-4.18,;.67,-4.54,;-.53,-3.58,;-1.86,-4.34,;-3.2,-3.58,;-3.2,-2.04,;-1.86,-1.27,;-.53,-2.04,;-4.53,-1.27,;-4.53,.27,;-5.86,1.04,;-7.2,.27,;-7.2,-1.27,;-5.86,-2.04,)|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1COCCO1 |r|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)C1COCCO1 |r|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2cc(F)c(cc12)C1COCCO1 |r|
O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1
CC(N(C(=O)Cc1cccs1)c1cccc(F)c1)(C(=O)NC1CCCCC1)c1ccccc1
Fc1cccc(c1)N([C@@H](C(=O)NC1CCCCC1)c1ccccc1)C(=O)Cc1cccs1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(F)c2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 |r|
COc1ccc(cc1OC)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C#N)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2ccccc2)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccccc2)n1 |r|
CC(C)[C@@H]1COC(=O)N1c1ccnc(NC(C)c2ccccc2)n1 |r|
Cc1ccccc1C(N(C(=O)Cn1cnc2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1
COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C[C@]3(C)C(N)=O)C(=O)c2ccc[nH]2)cc1C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NC(=O)C=C)n1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NS(=O)(=O)C=C)n1 |r|
CCS(=O)(=O)NC1CCN(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC3CCN(CC3)S(=O)(=O)C=C)cc2)n1 |r|
CCS(=O)(=O)N1CCC(CC1)Nc1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
CCN1CCN(CC1)c1cc(Nc2ccc(cc2)[C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)C(C)C)ccc1NC(=O)C=C |r|
CCN1CCN(CC1)c1cc(Nc2ccc(cc2)[C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)C(C)C)ccc1NC(=O)CC |r|
CCN1CCN(CC1)c1cc(Nc2ccc(cc2)[C@H](C)Nc2nccc(n2)N2[C@H](COC2=O)C(C)C)ccc1NS(=O)(=O)C=C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NS(=O)(=O)C=C)ncc1F |r|
CCS(=O)(=O)NC1CCN(CC1)c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NC(=O)C=C)ncc1F |r|
CCC(=O)NC1CCN(CC1)c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCC(CC2)NC(=O)CCl)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCCC(C2)NS(=O)(=O)C=C)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCCC(C2)NC(=O)C=C)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)N2CCCC(C2)NC(=O)CCl)ncc1F |r|
CCC(=O)NC1CCCN(C1)c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(NC3CCN(CC3)S(=O)(=O)C=C)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(cc2)-c2ccc(N(C)C)c(NC(=O)C=C)c2)ncc1F |r|
CCC(=O)Nc1cc(ccc1N(C)C)-c1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(N(C)C)c(NC(=O)C=C)c3)cc2)ncc1F |r|
CCC(=O)Nc1cc(Nc2ccc(cc2)[C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)C(C)C)ccc1N(C)C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(N(C)C)c(NS(=O)(=O)C=C)c3)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(N4CCOCC4)c(NC(=O)C=C)c3)cc2)ncc1F |r|
CCC(=O)Nc1cc(Nc2ccc(cc2)[C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)C(C)C)ccc1N1CCOCC1 |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NC(=O)C=C)c(c3)N3CCOCC3)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NS(=O)(=O)C=C)c(c3)N3CCOCC3)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NC(=O)CCl)c(c3)N3CCOCC3)cc2)ncc1F |r|
CCC(=O)Nc1ccc(Nc2ccc(cc2)[C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)C(C)C)cc1N1CCOCC1 |r|
CCN1CCN(CC1)c1cc(Nc2ccc(cc2)[C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)C(C)C)ccc1NS(=O)(=O)C=C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NS(=O)(=O)C=C)c(c3)N(C)C)cc2)ncc1F |r|
COc1cc(Nc2ccc(cc2)[C@H](C)Nc2ncc(F)c(n2)N2[C@H](COC2=O)C(C)C)ccc1NS(=O)(=O)C=C |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NS(=O)(=O)C=C)c(C)c3)cc2)ncc1F |r|
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NS(=O)(=O)C=C)c(F)c3)cc2)ncc1F |r|
C[C@H](Nc1ncc(cn1)C#N)c1ccc(cc1)N1CCC(CC1)NS(=O)(=O)C=C |r|
CCS(=O)(=O)NC1CCN(CC1)c1ccc(cc1)[C@H](C)Nc1ncc(cn1)C#N |r|
C[C@H](Nc1ccc(cn1)C#N)c1ccc(Nc2ccc(NS(=O)(=O)C=C)c(c2)N(C)C)cc1 |r|
CCS(=O)(=O)Nc1ccc(Nc2ccc(cc2)[C@H](C)Nc2ccc(cn2)C#N)cc1N(C)C |r|
C[C@H](Nc1ccc(cn1)C#N)c1ccc(Nc2ccc(NC(=O)C=C)c(c2)N(C)C)cc1 |r|
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CNC(=O)/C=C/c3cccnc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCNC(=O)/C=C/c3cccnc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCCNC(=O)/C=C/c3cccnc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)CCCCNC(=O)/C=C/c3cccnc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4cccnc4)C3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4cccnc4)CC3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5ncccc5o4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)COc4cccnc4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)NCc4cccnc4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cccnc4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cnccn4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4ccc5nccn5c4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cnc5[nH]ccc5c4)cc3)cc2)n1
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccc(NC(=O)c4cc5cnccc5[nH]4)cc3)cc2)n1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)OC(C)(C)C)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cc1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cn1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cn1
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cn1
CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C
O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:7.6|
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
COc1cc(O)c(-c2cc(-c3ccc(O)cc3)nc(N3CCNCC3)n2)cc1CC=C(C)C
COc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ncccn3)n2)c(O)c1
Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.9,1.01,;2.57,.24,;1.13,.79,;.16,-.41,;-1.38,-.41,;-2.15,-1.74,;-2.15,.93,;-3.69,.93,;-4.16,2.39,;-2.92,3.3,;-1.67,2.39,;-.18,2.79,;.91,1.7,;.22,4.28,;1.3,3.19,;-4.77,-.16,;-6.26,.24,;-6.66,1.72,;-7.35,-.85,;-6.95,-2.34,;-8.04,-3.43,;-5.47,-2.74,;-4.38,-1.65,;-2.89,-2.05,;1,-1.7,;.6,-3.19,;1.69,-4.28,;3.18,-3.88,;3.58,-2.39,;5.07,-1.99,;5.47,-.5,;6.95,-.11,;8.04,-1.19,;7.35,1.38,;2.49,-1.3,)|
C[C@H](Nc1nccc(N2CCCC2=O)n1)c1ccc(Oc2ccccc2)cc1
C[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1
C[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)cs1
C[C@H](Nc1nccc(N2CCCC2=O)n1)c1cc(-c2ccc(Cl)cc2)no1
CCOC(=O)[C@@H]1CCN(c2ccnc(N[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)n2)C1=O
C[C@H](Nc1nccc(N2CCC(N)C2=O)n1)c1nc(-c2ccc(Cl)cc2)cs1
C[C@H](Nc1nccc(N2CC[C@H](C)C2=O)n1)c1cc(-c2ccc(Cl)cc2)no1
CC(C)n1nc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21
C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C(C)C)C(=O)OC4)cc2)CC1
C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C)C(=O)OC4)cc2)CC1
C=CC(=O)N1CCC(N(C)Cc2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r|
CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1CCOC1=O |r|
C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r|
COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@@H]3C(N)=O)cc1C
CC1CC(n2c(Nc3ccc(C(C)C)cc3)nc3cc(C(=O)O)ccc32)CC(C)(C)C1
COC(=O)c1ccc2c(c1)nc(Nc1ccc(C(C)C)cc1)n2C1CC(C)CC(C)(C)C1
CC1CC(n2c(Nc3ccc(C(C)C)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1
CC1CC(n2c(Nc3ccc(COC(F)(F)F)cc3)nc3cc(OCC(=O)Nc4ccccc4Cl)ccc32)CC(C)(C)C1
C[C@H]1C[C@H](CC(C)(C)[C@@H]1O)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12 |r|
FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2Cc3ccccc3C2)n1
FC(F)(F)c1cccc(n1)-c1nc(NCC2CC2)nc(NCC2CC2)n1
O=C(Nc1ccccc1)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)c1ccc[nH]1)CC2
Cn1cc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21
Cn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21
CC(C)n1nc(C2=C(c3cn(CCCn4ccnc4)c4cc(Cl)ccc34)C(=O)NC2=O)c2ccccc21
C[C@H](Nc1nc(N2C(=O)OC[C@@H]2[C@@H](C)O)c2cc[nH]c2n1)c1ccccc1F
COc1ccccc1[C@H](C)Nc1nc(N2C(=O)OC[C@@H]2[C@@H](C)O)c2cc[nH]c2n1
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1cn(C)c2c(/C=C/C(=O)O)cccc12
CC(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl |(.45,2.14,;-.89,2.91,;-.89,4.45,;-2.22,2.14,;-3.47,3.04,;-4.71,2.14,;-4.24,.67,;-2.7,.67,;-1.93,-.66,;-2.6,-1.83,;-.39,-.66,;.52,.58,;1.98,.11,;1.98,-1.43,;3.13,-2.46,;4.61,-2.06,;5.01,-.58,;6.5,-.18,;7.59,-1.27,;6.9,1.31,;2.81,-3.97,;1.34,-4.45,;.2,-3.42,;.52,-1.91,;-5.28,-1.26,;-4.51,-2.59,;-2.97,-2.59,;-5.28,-3.93,;-6.82,-3.93,;-7.59,-2.59,;-6.82,-1.26,;-7.59,.08,)|
CC(C)(F)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1cc2c3c(cccc31)/C(=C/C(=O)O)CC2
COC(C)(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl |(.45,5.24,;.45,3.7,;-.89,2.93,;.45,2.16,;-.89,4.47,;-2.22,2.16,;-3.47,3.06,;-4.71,2.16,;-4.24,.69,;-2.7,.69,;-1.93,-.64,;-2.6,-1.81,;-.39,-.64,;.52,.6,;1.98,.13,;1.98,-1.41,;3.13,-2.44,;4.61,-2.04,;5.01,-.56,;6.5,-.16,;7.59,-1.25,;6.9,1.33,;2.81,-3.95,;1.34,-4.42,;.2,-3.39,;.52,-1.89,;-5.28,-1.24,;-4.51,-2.57,;-2.97,-2.57,;-5.28,-3.9,;-6.82,-3.9,;-7.59,-5.24,;-7.59,-2.57,;-6.82,-1.24,;-7.59,.1,)|
Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(1.55,2.14,;.01,1.25,;-1.45,1.72,;-2.36,.48,;-3.9,.48,;-4.67,-.86,;-4.67,1.81,;-6.21,1.81,;-6.68,3.28,;-5.44,4.18,;-4.19,3.28,;-2.71,3.67,;-1.62,2.59,;-2.31,5.16,;-1.22,4.07,;-7.6,.51,;-7.21,-.98,;-5.72,-1.38,;-8.29,-2.07,;-9.78,-1.67,;-10.87,-2.76,;-10.18,-.18,;-9.09,.9,;-9.49,2.39,;-1.45,-.77,;-1.77,-2.28,;-.63,-3.31,;.84,-2.83,;1.16,-1.32,;2.64,-.92,;3.04,.56,;4.53,.96,;5.62,-.13,;4.93,2.45,;.01,-.29,)|
OC(=O)\C=C\c1cccc2n(ccc12)C(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CCN(CC1)C(=O)C=C |(7.84,-1.85,;6.75,-.76,;7.15,.72,;5.26,-1.16,;4.86,-2.65,;3.37,-3.05,;3.05,-4.55,;1.59,-5.03,;.44,-4,;.76,-2.49,;-.14,-1.25,;.76,-0,;2.23,-.48,;2.23,-2.02,;-1.68,-1.25,;-2.45,-2.58,;-2.45,.09,;-1.97,1.55,;-3.22,2.46,;-4.47,1.55,;-3.99,.09,;-5.26,-1.18,;-6.75,-.79,;-7.15,.7,;-7.84,-1.87,;-7.44,-3.36,;-5.95,-3.76,;-4.86,-2.67,;-3.37,-3.07,;-.49,1.95,;.6,.86,;2.09,1.26,;2.49,2.75,;1.4,3.84,;-.09,3.44,;3.98,3.14,;5.06,2.06,;4.37,4.63,;5.86,5.03,)|
CC(C)(C#N)c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1
Cn1nccc1-c1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1
OC(=O)C1CC2(C1)CC(C2)C(=O)N1Cc2cccnc2Nc2ccccc12
O=C(N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21)C12CCC3(F)CCC(CC(C3)C1)C2
O=C(C1CC2(CC(O)C2)C1)N1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21
COC(=O)C1CCC2=C(C1=O)C(c1c[nH]c3ccccc13)Nc1ccccc1N2
COc1ccc(C(=O)[C@@H](Cn2cncn2)[C@H](Sc2ccccc2)c2ccccc2)cc1
O=C(NCc1ccc(C(F)(F)F)cc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1
O=C1c2ccccc2C(=O)C2C1C(=O)N(CCCn1cnnc1)[C@H]2c1ccc(F)cc1
CSc1nn(-c2ccccc2C)c(-c2ccc3c(c2)OCCO3)c1-n1ccnc1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12