2584 SMILES Strings for Transient receptor potential cation channel subfamily A member 1
Compound Name
SMILES String
BrC(C#N)c1ccccc1
BrCc1ccccc1
Brc1ccc2Cc3ccccc3N=Cc2c1 |c:13|
Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Brc1cccc2C=Nc3ccccc3Cc12 |c:6|
C1c2ccccc2C=Nc2ccccc12 |c:8|
C=C1OC(=O)c2ccccc12
C=CC=O
C=CCCCCCN=C=S
C=CCCCCN=C=S
C=CCCCN=C=S
C=CCCN=C=S
C=CCN=C=S
C=CCSCC=C
C=CCSS(=O)CC=C
C=CCSSCC=C
C=CCSSSCC=C
CC#CCN([C@@H](C)C(=O)NCc1ccnc(c1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3ccnc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@@H]3C(F)(F)F)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O |r|
CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(N)=O)c2c1=O |r|
CC(=C)C1CCC(C=O)=CC1 |c:8|
CC(=O)C=C1C(=O)N(CC#C)c2ccccc12 |w:3.2|
CC(=O)CBr
CC(=O)CCn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2nc(C)n(CC(=O)Nc3cccc(n3)-c3ccc(Cl)cc3)c2c1=O
CC(=O)Cn1c(=O)n(C)c2nc(C)n(CC(=O)Nc3cccc(n3)-c3ccc(F)c(F)c3)c2c1=O
CC(=O)Cn1c(=O)n(C)c2nc(C)n(CC(=O)Nc3cccc(n3)-c3cnc(cn3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2nc(C)n(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O |r|
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3ccc(Cl)cc3)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3ccc(F)c(F)c3)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O |r|
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cncc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cncc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
CC(=O)Cn1c(=O)n(C)c2ncn(CC(N)=O)c2c1=O
CC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
CC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
CC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
CC(=O)Nc1nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c2n1C |r,c:20|
CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
CC(=O)Oc1ccc(\C=C\c2ccccc2)cc1
CC(=O)Oc1ccccc1\C=C\c1ccccc1
CC(=O)SC(NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
CC(=O)c1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
CC(C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2[nH]c(=O)n(Cc3nc(C)no3)c(=O)c12
CC(C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |w:1.0|
CC(C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |w:1.0|
CC(C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2[nH]c(=O)n(Cc3nc(C)no3)c(=O)c12
CC(C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |w:1.0|
CC(C)(C(=O)NCC(Cc1ccccc1)N1CCC(O)(CC1)C(F)(F)F)c1ccccc1
CC(C)(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
CC(C)(C)Nc1c(nc2c(Br)cc(Cl)cn12)-c1cccc(Cl)c1
CC(C)(C)Nc1c(nc2cc(ccn12)C(F)(F)F)-c1cccc(Cl)c1
CC(C)(C)Nc1c(nc2ccc(Cl)cn12)-c1cccc(c1)C#N
CC(C)(C)Nc1c(nc2ccc(F)cn12)-c1cccc(c1)C#N
CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cc(Cl)cc(Cl)c1
CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Br)c1
CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(F)c1
CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#C
CC(C)(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#N
CC(C)(C)OC(=O)Nc1ccccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
CC(C)(C)OC(=O)c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(c1)-c1ccc(cc1)C(F)(F)F |r|
CC(C)(C)OC(=O)c1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cc1)C(F)(F)F
CC(C)(C)OCC(NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F
CC(C)(C)OC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
CC(C)(C)c1ccc(NC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)cc1
CC(C)(C)c1ccc(NC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1
CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
CC(C)(C)c1ccc(OC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)cc1
CC(C)(C)c1ccc(OC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1
CC(C)(C)c1ccc(cc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
CC(C)(C)c1cccc(NC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)c1
CC(C)(C)c1cccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)c1
CC(C)(C)c1cccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)c1
CC(C)(C)c1cccc(OC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)c1
CC(C)(C)c1ccccc1-c1ccc2[nH]ncc2c1
CC(C)C(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)C(F)(F)F)c2c1=O |r|
CC(C)C(C)(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
CC(C)C(C)Nc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
CC(C)C(NC(=O)N(C)C(C)(C)C)C(=O)c1ccc(Cl)cc1
CC(C)C(NC(=O)N(C)C(C)(C)C)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)N1CCc2ccccc2C1)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)cc1
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c(F)c1
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cn1
CC(C)C(NC(=O)OC(C)(C)C)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1c(C)noc1-c1ccccc1)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1c(C)noc1C(C)C)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc(cc1)[N+]([O-])=O
CC(C)C(NC(=O)c1cc(Cl)ccc1F)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1cc2ccccc2n1C)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1ccc(Cl)cc1F)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(F)cc1
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)[N+]([O-])=O
CC(C)C(NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccc(cc1)C#N
CC(C)C(NC(=O)c1cnn(c1C(F)(F)F)C(C)(C)C)C(=O)c1ccc2nonc2c1
CC(C)C(NC(=O)c1cnoc1C(C)(C)C)C(=O)c1ccc(cc1)C#N
CC(C)C1CCC(C)CC1O
CC(C)C1CCN(CC1)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)nc1
CC(C)CCC(=O)c1ccoc1
CC(C)CCOc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
CC(C)CN1C(=O)\C(=C\C(O)=O)c2cc(F)ccc12
CC(C)CN1C(=O)\C(=C\C(O)=O)c2cccc(Cl)c12
CC(C)CN1C(=O)\C(=C\C(O)=O)c2cccc(F)c12
CC(C)CN=C=S
CC(C)CNc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)CC1
CC(C)CNc1nc(ncc1C(=O)NCc1ccccn1)N1CCN(Cc2ccccc2)CC1
CC(C)CNc1nc(ncc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)CC1
CC(C)COc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)Cc2c(C)oc3n(C)c(=O)n(C)c(=O)c23)n1
CC(C)COc1c(F)cc(cc1F)-c1csc(NC(=O)Cc2coc3n(C)c(=O)n(C)c(=O)c23)n1
CC(C)COc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
CC(C)COc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CC(C)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
CC(C)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CC(C)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
CC(C)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
CC(C)N(C1(CC1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCC1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCC1CCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCC1CN(CCO1)c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NC[C@@H]1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
CC(C)N(CC(=O)NC[C@@H]1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
CC(C)N(CC(=O)NC[C@H]1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
CC(C)N(CC(=O)NC[C@H]1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
CC(C)N(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cnccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1O)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)N(CC(=O)NCc1cc(ncn1)C1=CCC(CC1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |t:16|
CC(C)N(CC(=O)NCc1cc(ncn1)N1CCC(CC1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCc1cc(ncn1)N1CCC(F)(F)CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCc1ccc(O)c(c1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cnccc2o1
CC(C)N(CC(=O)NCc1cccc(c1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccn(C)n1
CC(C)N(CC(=O)NCc1cccc(c1)-c1cnc(nc1)N1CCC[C@@H]1C)S(=O)(=O)c1ccc(F)cc1 |r|
CC(C)N(CC(=O)NCc1cccc(c1)C1CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)N(CC(=O)NCc1cccc(c1)N1CCCC1)S(=O)(=O)c1ccc(F)cc1
CC(C)N1C(=O)C(C=C(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)C1=O)c1ccc(nc1)C(F)(F)F |r,t:7|
CC(C)N1C(=O)C(C=C(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)C1=O)c1ccc(cc1)C(F)(F)F |r,t:7|
CC(C)N=C=S
CC(C)Nc1c(nc2ccc(Br)cn12)-c1cccc(Cl)c1
CC(C)Nc1c(nc2ccc(Cl)cn12)-c1cccc(Cl)c1
CC(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Cl)c1
CC(C)Nc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(c1)C#C
CC(C)Nc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F
CC(C)Nc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
CC(C)OC(=O)c1ccc2Cc3ccccc3N=Cc2c1 |c:18|
CC(C)OCCN(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)OCCN(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CC(C)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCCc1ccccc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCc1ccccc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:17:18:16.15.21:22,THB:19:18:15:21.20.22,19:20:17.18.23:15,17:16:18.23.19:22|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(C)cc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(Cl)cc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)-c1ccccc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)C(C)(C)C |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(cc1)C(F)(F)F |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(Cl)c1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)-c1ccccc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)C(C)(C)C |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(c1)C(F)(F)F |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(Cl)cc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(cc1)C(C)(C)C |r|
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O |r|
CC(C)[C@H](N)C(=O)OCn1c(cs\c1=N/C(=O)Cc1c(C)oc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(OC(F)(F)F)c(Cl)c1 |r|
CC(C)[C@H]([NH3+])C(=O)OCn1c(cs\c1=N/C(=O)Cc1csc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(F)c(c1F)C(F)(F)F |r|
CC(C)\C(=N/O)\C(\C)=C\c1ccc(F)cc1
CC(C)\C(=N\O)\C(\C)=C\c1ccc(F)cc1
CC(C)c1cc(CCC(=O)CC(O)CCCCCCc2ccccc2)c(C)cc1O
CC(C)c1cc(CCC(=O)CC(O)CCCCCCc2ccccc2)cc(C(C)C)c1O
CC(C)c1cc(CCC(=O)CC(O)Cc2ccccc2)c(C)cc1O
CC(C)c1cc(CCC(=O)CC(O)Cc2ccccc2)cc(C(C)C)c1O
CC(C)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
CC(C)c1ccc(C)c(O)c1
CC(C)c1ccc(C)cc1C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
CC(C)c1ccc(C)cc1C(=O)NCCc1ccccc1
CC(C)c1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
CC(C)c1ccc(C)cc1C(=O)Oc1ccc(Cl)cc1
CC(C)c1ccc(C)cc1C(=O)Oc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1C(=O)Oc1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1N
CC(C)c1ccc(C)cc1NC(=O)CCCCCCCc1ccccc1
CC(C)c1ccc(C)cc1NC(=O)Cc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1NC(=O)Cc1cccc(I)c1
CC(C)c1ccc(C)cc1NC(=O)Nc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1NC(=O)Nc1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1NC(=O)Oc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1NC(=O)Oc1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1NC(=O)Oc1ccc(cc1)C(F)(F)F
CC(C)c1ccc(C)cc1NC(=O)Oc1cccc(c1)-c1ccccc1
CC(C)c1ccc(C)cc1NC(=O)c1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1NC(=O)c1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1O
CC(C)c1ccc(C)cc1OC(=O)Cc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1OC(=O)Nc1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1OC(=O)Nc1ccc(cc1)C(C)(C)C
CC(C)c1ccc(C)cc1OC(=O)c1ccc(C)cc1
CC(C)c1ccc(C)cc1OC(=O)c1ccc(cc1)-c1ccccc1
CC(C)c1ccc(C)cc1OC(=O)c1ccc(cc1)C(C)(C)C
CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
CC(C)c1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
CC(C)c1ccccc1-c1ccc2[nH]ncc2c1
CC(C)c1onc(C)c1C(=O)NC(C(=O)c1ccc(C#N)c(F)c1)C(C)(C)C
CC(C)c1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1)C(F)(F)F
CC(C)n1c(=O)c(CNC(=O)C2(CC2)NS(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O
CC(C)n1c(=O)c(CNC(=O)[C@@H]2C=CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r,c:12|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CC(F)(F)CN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(F)cccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(C)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(Cl)cc2)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(F)cc2)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(nc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(Cl)cc2)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(F)cc2)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3s2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cn(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cn(-c2ccc(nc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(nc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1c(=O)c(CNC(=O)[C@H](C)NS(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(F)cccc3o2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(nc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(cn2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(-c2ccc(nc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(CNC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(F)cccc3o2)c1=O)-c1ccc(cc1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1=O)-c1ccc(cc1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1=O)-c1ccc(cn1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1=O)-c1ccc(nc1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1=O)-c1ccc(cc1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1=O)-c1ccc(cn1)C(F)(F)F |r|
CC(C)n1cc(cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1=O)-c1ccc(nc1)C(F)(F)F |r|
CC(C)n1nc2ncn(Cc3nc(CC(O)c4ccc(Cl)cc4)no3)c(=O)c2c1C
CC(C=Cc1ccc(Cl)cc1)N=O |w:3.3|
CC(C=Cc1ccc2OCOc2c1)N=O |w:3.3|
CC(C=Cc1cccc(Cl)c1)N=O |w:3.3|
CC(C=Cc1ccccc1)N=O |w:3.3|
CC(CN=O)=Cc1ccc(Cl)cc1 |w:5.5|
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
CC(Cc1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
CC(N=O)C(C)=Cc1ccc(Cl)cc1 |w:6.6|
CC(N=O)C(C)=Cc1cccc(C)c1 |w:6.6|
CC(N=O)C(C)=Cc1ccccc1 |w:6.6|
CC(O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O |r|
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O |r,t:11|
CC1(C)CCC[C@]2(C)[C@@H](CC\C=C(/CC=O)C=O)[C@H](CC[C@@H]12)C=O |r|
CC1(C)CCC[C@]2(C)[C@@H](CC\C=C(/CC=O)C=O)[C@]3(CO3)CC[C@@H]12 |r|
CC1(C)CC[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 |THB:9:8:5.4:1|
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 |THB:9:8:1:4.5|
CC1(CCCC1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F
CC1(CCCC1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1Cl)-c1ccc(nc1)C(F)(F)F
CC1(CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F
CC1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
CC12CC(C1)[C@H](N2S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r,wU:5.19,(-7.68,1.39,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-5.05,.59,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-6.69,-1.52,;-7.91,-.57,;-9.34,-1.15,;-9.55,-2.67,;-10.98,-3.25,;-8.34,-3.62,;-6.91,-3.04,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;5.64,3.62,;2.98,3.62,;1.64,2.85,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
CC1=CC(=O)c2c(O)cccc2C1=O |t:1|
CC1=NC(=S)NC(C1C(=O)c1ccccc1)c1ccccc1 |t:1|
CC1CCCN(C1C)C(=O)c1csc(Nc2ccc(C)cc2)n1
CC1N(CCc2c1[nH]c1ccc(O)cc21)C(=O)Nc1ccc(cc1)C(C)(C)C
CC1N(CCc2c1[nH]c1ccc(O)cc21)C(=O)Nc1ccc(cc1)C(F)(F)F
CC1N(CCc2c1[nH]c1ccc(O)cc21)C(=O)Oc1cccc(c1)-c1ccccc1
CC1NN(C)c2ncn(Cc3nnn(CCc4ccc(Cl)cc4)n3)c(=O)c12
CCC(=O)Cn1c(=O)n(C)c2ncn(C(C)C(=O)Nc3ccnc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |w:14.14|
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cncc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cncc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn(CC(N)=O)c2c1=O
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3ccc(nc3)C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(OC)c(c3)C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(cn3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3ccnc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3ccnc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3ccnc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3cnc(cn3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(Cl)c(Cl)c3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(C)c(Cl)c3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(C)c(F)c3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O |r|
CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(N)=O)c2c1=O |r|
CCC(=O)c1sc(nc1[O-])-c1cccc(F)c1
CCC(C)N=C=S
CCC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
CCC(CC)CN1C(=O)\C(=C\C(=O)N2CCOCC2)c2cccc(F)c12
CCC(N=O)C(C)=Cc1ccc(C)nc1 |w:7.7|
CCC(N=O)C(C)=Cc1ccc(F)nc1 |w:7.7|
CCC(N=O)C(C)=Cc1ccc(OC)nc1 |w:7.7|
CCC(N=O)C(C)=Cc1ccc(nc1)C(F)(F)F |w:7.7|
CCC(N=O)C(C)=Cc1cccnc1 |w:7.7|
CCC(N=O)C(C)=Cc1cccs1 |w:7.7|
CCC(N=O)C(C)=Cc1ccncc1 |w:7.7|
CCC(N=O)C(C)=Cc1ccsc1 |w:7.7|
CCC(N=O)C(C)=Cc1cnc2ccccc2c1 |w:7.7|
CCC(N=O)C(C)=Cc1cncc2ccccc12 |w:7.7|
CCC(N=O)C(C)=Cc1cnccc1C |w:7.7|
CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |r,t:2,THB:2:20:5.4.19:7.8.9.10|
CCCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)C(F)(F)F)c2c1=O |r|
CCCCC(CC)c1[nH]c(=O)n(SC(Cl)(Cl)Cl)c1O
CCCCCC(=O)C=CC=O |w:8.8|
CCCCCC(O)CC(=O)CCc1cc(C(C)C)c(O)c(c1)C(C)C
CCCCCC(O)CC(=O)CCc1cc(C(C)C)c(O)cc1C
CCCCCC(O)CC(=O)CCc1ccc(O)cc1
CCCCCC(O)CC(=O)CCc1ccc2OCOc2c1
CCCCCC(O)CC(=O)CCc1ccccc1
CCCCCC(O)\C=C\C=O
CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCC(=O)NCC=C)c1
CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1
CCCCCCCCCC(=O)NC(C(C)C)C(=O)c1ccc(cc1)C#N
CCCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1
CCCCCCCC\C=C(/CCCCCCCC(O)=O)[N+]([O-])=O
CCCCCCCC\C=C/CCCCCCCC(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
CCCCCCCC\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1
CCCCCC[C@@H](O)C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1 |r|
CCCCCC[C@H](C\C=C/CCCCCCCCn1nnc(n1)-c1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r|
CCCCCCc1ccc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)cc1
CCCCCCc1ccc(cc1)-c1csc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)n1
CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O |r,c:10|
CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O |r,c:10|
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O |r,c:19|
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1C(O)=O |r,t:11|
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38|
CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
CCCCCc1cc(O)c2CCC(C)(CCCC(C)(C)c3ccc(C)cc3)Oc2c1
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1C(O)=O |r,t:11|
CCCCCc1cc2O[C@]3(Cc2c(O)c1)[C@@H](C)CCCC3(C)C |r|
CCCCCc1cc2O[C@]3(Cc2c(O)c1)[C@H](C)CCCC3(C)C |r|
CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1
CCCCCc1cccc(OC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)c1
CCCCOC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:12|
CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:16|
CCCC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
CCCC\C(\C=C\c1ccc(F)cc1)=N/O
CCCCc1ccc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)cc1
CCCN(C)c1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
CCCN(CCC)c1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
CCCNc1cc(C)cc(NC(=O)c2c(F)cccc2F)c1
CCCNc1cc(N)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2ccc(F)c(F)c2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2ccc(F)cc2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2ccccc2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2ccccn2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2cccnc2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
CCCNc1cc(NC(=O)c2ccncc2)cc(c1)C(F)(F)F
CCCOc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F
CCC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
CCC\C(\C=C\c1ccc(F)cc1)=N/O
CCC\C=C1/OC(=O)C2=C1CCC=C2 |c:8,13|
CCC\C=C1/OC(=O)c2c1cc(C)cc2C
CCC\C=C1/OC(=O)c2ccccc12
CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
CCN(CC(=O)NCC1CCCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CCN(CC(=O)NCC1CCN(C1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CCN(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CCN(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CCN(CC)C(=O)c1cccc2C=Nc3ccccc3Cc12 |c:12|
CCN(CC)C(=S)SSC(=S)N(CC)CC
CCN(CC)c1ncc(cn1)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 |r|
CCN(CC)c1ncc(cn1)-c1nc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(CC(=O)CC)c(=O)c23)cs1 |r|
CCN(CC)c1ncc(cn1)-c1nc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)cs1 |r|
CCN([C@@H](C)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
CCN([C@@H](C)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
CCNc1c(nc2ccc(cn12)C(F)(F)F)-c1cccc(Cl)c1
CCNc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F
CCNc1nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c2n1C |r,c:19|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|
CCOC(=O)C1C(NC(=S)N=C1c1ccccc1)c1cccc(OC)c1 |c:10|
CCOC(=O)CBr
CCOC(C(C)Oc1c(OC)cc(CC=C)cc1OC)c1ccc(O)c(OC)c1
CCOc1cc(\C=C\C(=O)Nc2ccccc2C(O)=O)ccc1O
CCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(CC(=O)CC)c(=O)c23)n1 |r|
CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 |r|
CC[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C2)([C@H]13)C(=O)OC |r,THB:2:22:10.9.8.7:21.4.5,1:2:20.21:6.5|
CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C2)([C@H]13)C(=O)OC |r,TLB:1:2:19.18:6.5,21:18:2.3:6.5,THB:7:6:2.3:19.18,10:18:2.3:6.5|
CC\C(=N/O)\C(\C)=C\c1cc(F)c(F)c(F)c1
CC\C(=N/O)\C(\C)=C\c1ccc(C)nc1
CC\C(=N/O)\C(\C)=C\c1ccc(F)c(C)c1
CC\C(=N/O)\C(\C)=C\c1ccc(F)c(Cl)c1
CC\C(=N/O)\C(\C)=C\c1ccc(F)c(F)c1
CC\C(=N/O)\C(\C)=C\c1ccc(F)c(c1)C#N
CC\C(=N/O)\C(\C)=C\c1ccc(F)c(c1)C(F)(F)F
CC\C(=N/O)\C(\C)=C\c1ccc(F)cc1
CC\C(=N/O)\C(\C)=C\c1ccc(F)nc1
CC\C(=N/O)\C(\C)=C\c1ccc(OC)nc1
CC\C(=N/O)\C(\C)=C\c1ccc(nc1)C(F)(F)F
CC\C(=N/O)\C(\C)=C\c1ccccc1F
CC\C(=N/O)\C(\C)=C\c1cccnc1
CC\C(=N/O)\C(\C)=C\c1cccs1
CC\C(=N/O)\C(\C)=C\c1ccncc1
CC\C(=N/O)\C(\C)=C\c1ccsc1
CC\C(=N/O)\C(\C)=C\c1cnc2ccccc2c1
CC\C(=N/O)\C(\C)=C\c1cncc2ccccc12
CC\C(=N/O)\C(\C)=C\c1cnccc1C
CC\C(=N/OC)\C(\C)=C\c1ccc(F)cc1
CC\C(=N\O)\C(\C)=C\c1ccc(F)cc1
CC\C(\C=C\c1ccc(F)cc1)=N/O
CC\C=C1/OC(=O)c2c1cc(C)cc2C
CC\C=C\C=O
CCc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
CCc1cc(NC(=O)Cn2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)nc(c1)C(F)(F)F
CCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
CCc1ccc(O)c(O)c1
CCc1ccc(O)c(OC)c1
CCc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
CCc1ccccc1-c1ccc2[nH]ncc2c1
CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OC(F)F)c(F)c1
CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1
CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1)C(F)(F)F
CCn1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CCn1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
CN(C(=O)OC(C)(C)C)c1ccc(cn1)-c1ccc(F)c(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
CN(C(C)(C)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CN(C)C(=O)CNc1nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c2n1C |r,c:23|
CN(C)C(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
CN(C)C(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CN(C)C(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
CN(C)C(=O)\C=C1\C(=O)N(CC2CCCC2)c2c1cccc2F
CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cc1)C(F)(F)F |r|
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccc(C)cc2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccc(CO)cc2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccc(O)cc2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(C)c2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(CO)c2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(O)c2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(C)=O)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2cccc(c2)C(N)=O)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2C)n1
CN(C)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2O)n1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccc(C)cc1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccc(CO)cc1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccc(O)cc1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1cccc(C)c1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1cccc(CO)c1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1cccc(O)c1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1cccc(c1)C(C)=O
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1cccc(c1)C(N)=O
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1C
CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1O
CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:18|
CN(C)CCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
CN(C)C[C@@H]1CC[C@@H](N1S(=O)(=O)c1cc(C)c(F)c(C)c1)c1ccc(F)cc1 |r|
CN(C)[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1O)C(F)(F)F |r|
CN(C)c1cc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)ccn1
CN(C)c1cc(ccn1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1 |r|
CN(C)c1ccc(C=CCN=O)cc1 |w:7.6|
CN(C)c1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
CN(C)c1ccc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)cn1 |r|
CN(C)c1ccc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
CN(C)c1ccc(cn1)-c1ccc(F)c(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
CN(C)c1ccc(cn1)-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1
CN(C)c1cccc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)c1
CN(C)c1cccc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)n1
CN(C)c1cncc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)c1 |r|
CN(C)c1nc(C)c2n1ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(cc1O)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(cc1O)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(nc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(cc1O)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(nc1)C(F)(F)F |r|
CN(C)c1nc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(nc1)C(F)(F)F |r|
CN(C)c1ncc(cn1)-c1ccc(F)c(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
CN(C1CCCCC1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CN(C1CCCCC1)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
CN(CC(=O)NCC1CN(CCO1)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
CN(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CN(CC(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cc2cc(F)ccc2o1
CN(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
CN(CCCCc1ccccc1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CN(CCCCc1ccccc1)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
CN(Cc1ccc2ccccc2c1)C(=O)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
CN(Cc1ccc2ccccc2c1)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
CN(c1n[nH]c2cc(ccc12)C(F)(F)F)c1ccc(Cl)nc1
CN(c1nn(C)c2cc(ccc12)C(F)(F)F)c1ccc(Cl)nc1
CN1C(=O)C(=CC(C)=O)c2ccccc12 |w:5.5|
CN1C(=O)C(F)(F)Oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12 |r|
CN1C(=O)CCc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc(Cl)c(Cl)s4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)c(F)cc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)c(Cl)cc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)c(F)cc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5cccc(F)c5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5o4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc(Br)cc4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc(C)cc4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc(s4)C#N)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc5OCOc5c4)n3)c(=O)c12 |r|
CN1C(=O)COc2ncn(Cc3nnn(C[C@H](O)c4ccc5cc(oc5c4)C#N)n3)c(=O)c12 |r|
CN1C(=O)CSc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12 |r|
CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(c(F)c3)C(F)(F)F)c2C1=O
CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(C)c3)c2C1=O
CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(Cl)c3)c2C1=O
CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)cc3)c2C1=O
CN1C(=O)c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)c2C1=O
CN1C2=NCCN2c2ncn(CC(=O)Nc3nc(cs3)-c3ccc(Br)cc3)c2C1=O |t:2|
CN1C2=NCCN2c2ncn(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(C)(C)C)c2C1=O |t:2|
CN1C=NC2N=CN(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cc(F)c(Cl)c(F)c3)C(=O)C12 |r,c:2,5|
CN1CCC(CC1)Nc1nc(C)c2n1ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
CN1CCC[C@H]1c1cccnc1 |r|
CN1CCN(CC1)c1nc(C)c2n1ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
CN1CCOc2cc(COc3cccc(CNC(=O)[C@@H]4CCCN4S(=O)(=O)c4cc5cc(F)ccc5o4)c3)cnc12 |r|
CN1CCc2c(C1)ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
CN1CCc2c(sc3ncn(Cc4nnn(C[C@H](O)c5ccc(Cl)cc5)n4)c(=O)c23)C1=O |r|
CNC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
CNC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(N)=O)c2c1=O |r|
CNC(=O)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
CNC(=O)c1ccc(cn1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1 |r|
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(F)c(F)c4)no3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(F)cc4)no3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc5OCOc5c4)no3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nnn(C[C@H](O)c4ccc(C)cc4)n3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c2c1C |r|
CNC(=O)c1sc2ncn(Cc3nnn(C[C@H](O)c4ccc5OCOc5c4)n3)c(=O)c2c1C |r|
CNC[C@@H]1CC[C@@H](N1S(=O)(=O)c1cc(C)c(F)c(C)c1)c1ccc(F)cc1 |r|
CN\C(=C/C(=N)C(F)(F)F)c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
CNc1ccc(cn1)-c1ccc(F)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
CNc1ccccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
CNc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CNc1nc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
CNc1nc(ccc1-c1cc(CNC(=O)C2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ccn1)C(F)(F)F |r|
CNc1nc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c2n1C |r,c:18|
COC(=O)C(Oc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1)c1ccccc1 |r|
COC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O |c:4,t:7|
COC(=O)C1=C(C)N=C(C)C([C@@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O |r,c:4,t:7|
COC(=O)C1=C(C)N=C(C)C([C@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O |r,c:4,t:7|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
COC(=O)CNc1c(nc2ccc(F)cn12)-c1cccc(F)c1
COC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
COC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
COC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
COC(=O)Nc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(C3)CCc1c2[nH]c2ccc(OC)cc12 |r,TLB:8:12:18.17.16.15:5.6.14,9:8:4.5:13.14|
COC(=O)c1ccc2C=Nc3ccccc3Oc2c1 |c:8|
COC(=O)c1ccc2Cc3ccccc3C=Nc2c1 |c:16|
COC(=O)c1ccc2Cc3ccccc3N=Cc2c1 |c:16|
COC(=O)c1ccc2N=Cc3ccccc3Cc2c1 |c:8|
COC(=O)c1cccc(CN2C(=O)\C(=C\C(N)=O)c3ccccc23)c1
COC(=O)c1cccc(c1)-c1ccc(Cc2nnn(n2)C(=O)N(C)C)cc1
COC(=O)c1cccc(c1)-c1ccc(Cc2nnnn2C(=O)N(C)C)cc1
COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
COC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:9|
COC(=O)c1cccc2Cc3ccccc3C=Nc12 |c:17|
COC(=O)c1cccc2Cc3ccccc3N=Cc12 |c:17|
COC(=O)c1cccc2N=Cc3ccccc3Cc12 |c:9|
COC(=O)c1cccc2N=Cc3ccccc3Oc12 |c:9|
COCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
COCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(cn3)N3CC4C(C3)C4(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(cn3)N3CC4CC4C3)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)C(F)(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cncc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
COCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(N)=O)c2c1=O |r|
COCC(O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
COCCCNC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:13|
COCCCOc1cc(ccn1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:17|
COCCCOc1cccc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
COCCCOc1cccc(c1)C1NC(=S)Nc2c1oc1c(F)cccc21
COCCCOc1cccc(c1)[C@@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
COCCCOc1cccc(c1)[C@@H]1NC(=S)Nc2c1oc1ncccc21 |r|
COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
COCCCOc1cccc(c1)[C@H]1NC(=S)Nc2c1oc1ccccc21 |r|
COCCCOc1cccc(c1)[C@H]1NC(=S)Nc2c1oc1ncccc21 |r|
COCCCOc1cccc(n1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
COCCCOc1ccnc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
COCCCOc1cncc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
COCCN(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
COCCN(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1
COCCNC(=O)c1ccc2c(n[nH]c2c1)-c1ccc(cc1)C#N
COCCNC(=O)c1cnc(nc1NCC(C)C)N1CCN(Cc2ccccc2)CC1
COCCNc1nc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c2n1C |r,c:21|
COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
COCCOc1cc(cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)n1)-c1ccc(nc1)C(F)(F)F |r|
COCCOc1nc(ccc1-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F |r|
COCCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O |r|
COC[C@@H]1CC[C@@H](N1S(=O)(=O)c1cc(C)c(F)c(C)c1)c1ccc(F)cc1 |r|
COC[C@]1(CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
COCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
COc1c(F)ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1F |r|
COc1cc(C=C)ccc1O
COc1cc(CC=C)ccc1O
COc1cc(CCC(=O)CC(O)CCCCCCc2ccccc2)ccc1O
COc1cc(CCC(=O)CC(O)Cc2ccccc2)ccc1O
COc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc(c1)-c1ccc(nc1)C(F)(F)F |r|
COc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(c1)-c1ccc(nc1)C(F)(F)F |r|
COc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(n1)-c1cnc(nc1)C(F)(F)F |r|
COc1cc(NC(=O)Cn2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)nc(c1)C(F)(F)F
COc1cc(O)cc(\C=C\c2ccccc2)c1
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
COc1cc(OC)cc(\C=C\c2ccccc2)c1
COc1cc(OC)cc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
COc1cc(\C=C\C)ccc1O
COc1cc(cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)n1)-c1ccc(nc1)C(F)(F)F |r|
COc1cc2CCN([C@@H](c3ccc(Cl)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 |r|
COc1cc2CCN([C@@H](c3ccc(F)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 |r|
COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 |r|
COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
COc1cc2ccnc(Oc3ccc(F)cc3F)c2cc1OC
COc1cc2ncnc(Oc3ccc(F)cc3F)c2cc1OC
COc1ccc(C=C(C)C(C)N=O)cc1 |w:6.5|
COc1ccc(CCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
COc1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
COc1ccc(NC(=O)Nc2cc(C)ccc2C(C)C)cc1
COc1ccc(NC(=O)Oc2cc(C)ccc2C(C)C)cc1
COc1ccc(NC(=O)c2cc(C)ccc2C(C)C)cc1
COc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
COc1ccc(OC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 |r|
COc1ccc(OC(=O)Nc2cc(C)ccc2C(C)C)cc1
COc1ccc(OC(=O)c2cc(C)ccc2C(C)C)cc1
COc1ccc(OC)c(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1 |c:18|
COc1ccc(Oc2ncnc3[nH]ccc23)cc1
COc1ccc(\C=C2/OC(=O)c3ccccc23)cc1
COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1
COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
COc1ccc(\C=C\c2ccc(O)cc2)cc1
COc1ccc(\C=C\c2ccc(OC)cc2)cc1
COc1ccc(\C=C\c2cccc(OC)c2)cc1
COc1ccc(\C=C\c2ccccc2)cc1
COc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1 |r|
COc1ccc(cc1)C(=O)NC(C(C)C)C(=O)c1ccc(cc1)C#N
COc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
COc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(C)C
COc1ccc(cc1)C(=O)Oc1cc(C)ccc1C(C)C
COc1ccc(cc1)C1=C[C@@H]2[C@H](C1)[C@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r,t:9|
COc1ccc(cc1)C1=C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r,t:9|
COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
COc1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
COc1ccc(cc1)[C@@H](O)Cn1nnc(Cn2cnc3OCC(=O)N(C)c3c2=O)n1 |r|
COc1ccc(cc1)[C@H]1C[C@@H](C1)c1noc(Cn2cnc3nccc(C)c3c2=O)n1 |r,wU:8.8,wD:10.13,(10.58,.73,;9.68,-.51,;8.15,-.35,;7.24,-1.6,;5.71,-1.44,;5.08,-.03,;5.99,1.21,;7.52,1.05,;3.55,.13,;2.36,-.84,;1.39,.36,;2.58,1.33,;-.14,.52,;-.91,1.85,;-2.42,1.53,;-2.58,,;-3.92,-.77,;-5.25,,;-5.25,1.54,;-6.58,2.31,;-7.92,1.54,;-9.25,2.31,;-10.58,1.54,;-10.58,,;-9.25,-.77,;-9.25,-2.31,;-7.92,,;-6.58,-.77,;-6.58,-2.31,;-1.18,-.63,)|
COc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O |r,wU:10.13,wD:8.8,(10.26,-2.67,;9.68,-1.25,;8.15,-1.04,;7.21,-2.25,;5.68,-2.05,;5.1,-.62,;6.04,.6,;7.57,.39,;3.57,-.41,;2.64,.81,;1.41,-.12,;2.35,-1.34,;-.12,.04,;-1.15,-1.1,;-2.55,-.47,;-3.89,-1.24,;-5.22,-.47,;-5.22,1.07,;-6.55,1.84,;-7.89,1.07,;-9.35,1.54,;-10.26,.3,;-9.35,-.95,;-9.83,-2.41,;-7.89,-.47,;-6.55,-1.24,;-6.55,-2.78,;-2.39,1.06,;-.89,1.38,;-.26,2.78,)|
COc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(CN2C=NC3N=CN(C)C3C2=O)n1 |r,c:21,24|
COc1ccc2C(=C)OC(=O)c2c1
COc1ccc2C(=O)O\C(=C/C)c2c1
COc1ccc2C=Nc3ccccc3Oc2c1 |c:6|
COc1ccc2c(Oc3ccc(F)cc3F)nccc2c1
COc1ccc2c(Oc3ccc(F)cc3F)ncnc2c1
COc1ccc2ncnc(Oc3ccc(F)cc3F)c2c1
COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11|
COc1cccc(CCNC(=O)Cn2cnc3c(C)cccc3c2=O)c1
COc1cccc(\C=C\c2ccc(O)cc2)c1
COc1cccc(\C=C\c2ccccc2)c1
COc1cccc(c1)C1C2C(=O)c3ccccc3C2=NC(=S)N1C |c:21|
COc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:13|
COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15|
COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
COc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
COc1cccc(c1)[C@@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:13|
COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:13|
COc1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
COc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
COc1ccccc1CCNC(=O)Cn1cnc2c(C)cccc2c1=O
COc1ccccc1\C=C\C(=O)Nc1ccccc1C(O)=O
COc1ccccc1\C=C\c1ccccc1
COc1cnc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(nc1)C(F)(F)F |r|
COc1cnc(CNC(=O)[C@]2(C)C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(nc1)C(F)(F)F |r|
COc1cnc(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
COc1nc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(n1)-c1ccc(nc1)C(F)(F)F |r|
COc1nc(ccc1-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F |r|
COc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1 |r|
COc1nccc2c1ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
COc1nn(cc1CC(=O)NC1CCC1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F
COc1nn(cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F |r|
COc1nn(cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)F |r|
COc1nn(cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
COc1nn(cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F
COc1nn(cc1CNC(=O)C1CCC1(C)S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F
COc1nn(cc1CNC(=O)C1CCCC1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F
COc1nn(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r,wU:11.11,(-.83,4.71,;-.06,3.38,;1.08,2.35,;2.59,2.67,;3.36,1.33,;2.33,.19,;.92,.81,;-.41,.04,;-1.75,.81,;-3.08,.04,;-3.08,-1.5,;-4.41,.81,;-4.89,2.28,;-6.43,2.28,;-6.91,.81,;-5.37,.81,;-5.66,-.09,;-5.66,-1.63,;-4.89,-2.96,;-4.12,-1.63,;-6.99,-2.4,;-8.33,-1.63,;-9.66,-2.4,;-9.66,-3.94,;-10.99,-4.71,;-8.33,-4.71,;-6.99,-3.94,;4.89,1.17,;5.48,-.25,;7,-.46,;7.94,.76,;7.36,2.19,;5.83,2.39,;9.47,.56,;10.99,.35,;9.67,2.08,;9.26,-.97,)|
COc1nn(cc1CNC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1cnc(cn1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1cccc(F)c1)-c1ccc(cc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(F)cc1)C#N)-c1ccc(cc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
COc1nn(cc1CNC(=O)[C@]1(C)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
CS(=O)(=O)SCCN
CSCCCCCCCN=C=S
CSCCCCCCN=C=S
CSCCCCCN=C=S
CSCCCCN=C=S
CSCCCN=C=S
CSc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(cc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccccn3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(C)c1)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(Cl)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(=O)NC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(N)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC3COC3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccccn3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1cncc(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1nc(=O)o[nH]1)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cccc(n1)-c1noc(n1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccccn3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CCC[C@@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccccn3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(Cl)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(Cl)c1)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(cn1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(=O)NC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(N)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccccn3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CCC[C@@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1cncc(n1)-c1cncc(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(Cl)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(F)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(F)c1)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(F)(F)F)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(F)(F)F)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(F)(F)F)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(N)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC3CCO3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CCC(F)(F)F)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12 |r|
C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(=O)Nc1ncsc1-c1cnc(nc1)C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12 |r|
C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(CC3CCO3)c(=O)c12 |r|
C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12 |r|
C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3ccon3)c(=O)c12 |r|
C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12 |r|
C[C@@H](Cn1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O)c1ccc(Cl)cc1 |r|
C[C@@H](N(C)S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
C[C@@H](N([C@@H](C(N)=O)c1ccccc1)C(=O)c1ccccc1)c1cc(F)cc(F)c1 |r|
C[C@@H]1CC[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@@H]1C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@@H]1Oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c2N(C)C1=O |r|
C[C@@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1ccc(nn1)C(F)(F)F |r|
C[C@@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1cnc(cn1)C(F)(F)F |r|
C[C@@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F |r|
C[C@@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F |r|
C[C@@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](Cn1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O)c1ccc(Cl)cc1 |r|
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C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccc(O)c(c1)-c1cnc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccc(O)c(c1)-c1ncc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(OCC2CCOCC2)c1 |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(OCc2ccc(cc2)C#N)c1 |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1ccc(nn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1cnc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cccc(c1)-c1ncc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1O)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cn(-c2ccc(cc2)C(F)(F)F)c(=O)n(C)c1=O |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cncc(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cncc(c1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cnnc(c1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cc(ccc1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(OCC2CCOCC2)c1 |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(OCc2ccc(cc2)C#N)c1 |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1O)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(nc(n1)N(C)C)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cc(ncn1)-c1ccc(cc1O)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1ccc(O)c(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1cccc(c1)-c1ccc(cn1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)NCc1ccnc(c1)-c1ccc(cc1O)C(F)(F)F |r|
C[C@H]1CCCN([C@H]1C)C(=O)c1nc(Nc2ccc(Cl)cc2F)sc1C |r|
C[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1Oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c2N(C)C1=O |r|
C[C@H]1[C@@H](F)CN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
C[C@H]1[C@@H]2[C@H](CN1c1cccc(Cl)c1)[C@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1c(F)cnc(c1F)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(-c2cnc(nc2)C(F)(F)F)c(cn1)C#N |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(Cl)cn1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccn1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(nc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C#N)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1cnc(cn1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F |r|
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
C[C@]1(CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(cn1)C(F)(F)F |r|
C[C@]1(CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@]1(CCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@]1(C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@]1(C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
C[C@]1(C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 |c:9|
C\C(=C/c1ccc(F)cc1)\C(=N\O)\C(C)(C)C
C\C(=C/c1ccccc1)C(=O)Nc1ccccc1C(O)=O
C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
C\C(=C/c1nc(Cn2cnc3ncn(C)c3c2=O)no1)c1ccc(Cl)cc1
C\C(=C/c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1ccc(Cl)cc1
C\C(\C=C\c1ccc(F)cc1)=N/O
C\C=C\C=C\C=C/CC\C=C\C(=O)NCC(C)(C)O
C\C=C\C=O
Cc1[nH]c2ncnc(Oc3ccc(F)cc3F)c2c1C
Cc1c(N)nn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12)C(N)=O |r|
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12)C(N)=O |r|
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4ccc(C)cc4)n3)c(=O)c12)C(N)=O |r|
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12)C(N)=O |r|
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4cc(F)cc(F)c4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4cc5ccccc5o4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(C)cc4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(=O)NCC(C)(C)O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(=O)NCC(F)F |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(F)c(F)c4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc(F)cc4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc5OC(F)(F)Oc5c4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc5OCOc5c4)no3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(Cl)cc5o4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5o4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Br)cc4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc(C)cc4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c12)C(N)=O
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc(F)c(F)c4)n3)c(=O)c12)C(N)=O |r|
Cc1c(sc2ncn(Cc3nnn(C[C@H](O)c4ccc5OCOc5c4)n3)c(=O)c12)C(N)=O |r|
Cc1c2n(cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)cnc1=O |r|
Cc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
Cc1cc(=O)nc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12 |r|
Cc1cc(Br)cn2c(NC(C)(C)C)c(nc12)-c1cccc(Cl)c1
Cc1cc(C)cc(c1)S(=O)(=O)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)ccc1Cl
Cc1cc(CN2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(C)c1F |r|
Cc1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(n1)-c1cnc(nc1)C(F)(F)F |r|
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4ccc(Br)c(n4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4ccc(C#N)c(n4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4ccc(cn4)N4CCC(CC4)C(C)(C)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4ccc5ccccc5n4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4ccc(nc4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(F)c4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)on1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CC(F)(F)C4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CC5C(C4)C5(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CC5CC5C4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CCC(CC4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CCC(F)(F)CC4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)N4CCN(CC(F)(F)F)CC4)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)no1
Cc1cc(Cn2c(=O)n(C)c3ncn(CC(N)=O)c3c2=O)no1
Cc1cc(N)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:20|
Cc1cc(cc(C)c1F)C(=O)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1CC(F)(F)C[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1CC[C@@H](F)[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1C[C@H](F)C[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1[C@H](CNCC(F)(F)F)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(C)c1F)S(=O)(=O)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)n1)-c1cnc(nc1)C(F)(F)F |r|
Cc1cc(cc(CNC(=O)[C@@H]2[C@@H](F)CCN2S(=O)(=O)c2ccc(F)cc2)n1)-c1cnc(nc1)C(F)(F)F |r|
Cc1cc(cc(Cl)c1F)S(=O)(=O)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cc2cn[nH]c12)-c1ccccc1C(F)(F)F
Cc1cc(ccc1F)S(=O)(=O)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1 |r|
Cc1cc(cnc1C(F)(F)F)-c1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(Cc4ccon4)c(=O)c23)n1
Cc1cc(cnc1C(F)(F)F)-c1nc(NC(=O)Cn2cnc3n(C)c(=O)n(CC(F)(F)F)c(=O)c23)cs1
Cc1cc(nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12)C#N |r|
Cc1cc(nc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12)C#N |r,wD:15.15,17.18,(-7.46,-2.69,;-7.46,-1.15,;-8.8,-.39,;-8.8,1.15,;-7.46,1.92,;-6.13,1.15,;-4.8,1.92,;-3.46,1.15,;-3.46,-.39,;-2.13,-1.16,;-.8,-.39,;.61,-1.01,;1.64,.13,;.87,1.47,;-.63,1.15,;3.17,-.03,;4.14,-1.22,;5.34,-.26,;6.11,1.08,;4.37,.94,;6.87,-.42,;7.5,-1.82,;9.03,-1.98,;9.93,-.74,;11.47,-.9,;9.31,.67,;7.78,.83,;-4.8,-1.16,;-4.8,-2.7,;-6.13,-.39,;-10.13,1.93,;-11.47,2.7,)|
Cc1cc(nc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(F)cc3)c(=O)c12)C#N |r,wU:15.15,17.18,(-7.46,-2.69,;-7.46,-1.15,;-8.8,-.38,;-8.8,1.15,;-7.46,1.93,;-6.13,1.15,;-4.8,1.93,;-3.46,1.15,;-3.46,-.38,;-2.13,-1.15,;-.8,-.38,;.61,-1.01,;1.64,.13,;.87,1.47,;-.63,1.15,;3.17,-.03,;4.37,.94,;5.34,-.26,;6.11,1.08,;4.14,-1.22,;6.87,-.42,;7.5,-1.82,;9.03,-1.98,;9.93,-.74,;11.47,-.9,;9.31,.67,;7.78,.83,;-4.8,-1.15,;-4.8,-2.69,;-6.13,-.38,;-10.13,1.93,;-11.47,2.69,)|
Cc1cc(nc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12)C#N
Cc1cc(nc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12)C#N |r,wU:13.12,wD:15.17,(-7.45,-2.78,;-7.45,-1.24,;-8.78,-.47,;-8.78,1.07,;-7.45,1.84,;-6.11,1.07,;-4.78,1.84,;-3.45,1.07,;-3.45,-.47,;-2.11,-1.24,;-.78,-.47,;.63,-1.1,;1.66,.04,;3.19,-.12,;4.42,.81,;5.35,-.42,;4.12,-1.35,;6.87,-.63,;7.45,-2.06,;8.98,-2.27,;9.92,-1.06,;11.45,-1.27,;9.35,.37,;7.82,.58,;.89,1.38,;1.52,2.78,;-.62,1.06,;-4.78,-1.24,;-4.78,-2.78,;-6.11,-.47,;-10.11,1.84,;-11.45,2.61,)|
Cc1cc(nc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12)C#N |r,wU:13.12,15.15,(-7.45,-2.78,;-7.45,-1.24,;-8.78,-.47,;-8.78,1.07,;-7.45,1.84,;-6.11,1.07,;-4.78,1.84,;-3.45,1.07,;-3.45,-.47,;-2.11,-1.24,;-.78,-.47,;.63,-1.1,;1.66,.04,;3.19,-.12,;4.42,.81,;5.35,-.42,;6.13,.91,;4.12,-1.35,;6.87,-.63,;7.45,-2.06,;8.98,-2.27,;9.92,-1.06,;11.45,-1.27,;9.35,.37,;7.82,.58,;.89,1.38,;1.52,2.78,;-.62,1.06,;-4.78,-1.24,;-4.78,-2.78,;-6.11,-.47,;-10.11,1.84,;-11.45,2.61,)|
Cc1cc2C(=C)OC(=O)c2c(C)c1
Cc1cc2C(=O)OC(=C)c2cc1Cl
Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Cc1cc2\C(OC(=O)c2c(C)c1)=C\c1ccccc1
Cc1cc2c(Oc3ccc(F)cc3F)ncnc2[nH]1
Cc1cc2nc(c(NC(C)(C)C)n2cc1Br)-c1cccc(Cl)c1
Cc1ccc(=O)n2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ccc(=O)n2ccn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.13,wD:16.18,(-8.78,-3.08,;-8.78,-1.54,;-10.11,-.77,;-10.11,.77,;-8.78,1.54,;-8.78,3.08,;-7.45,.77,;-6.11,1.54,;-4.78,.77,;-4.78,-.77,;-3.45,-1.54,;-2.11,-.77,;-.71,-1.4,;.33,-.25,;1.86,-.41,;3.09,.51,;4.01,-.71,;2.78,-1.64,;5.54,-.93,;6.12,-2.36,;7.64,-2.57,;8.59,-1.36,;10.11,-1.57,;8.01,.07,;6.49,.29,;-.44,1.08,;.18,2.49,;-1.95,.76,;-6.11,-1.54,;-6.11,-3.08,;-7.45,-.77,)|
Cc1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
Cc1ccc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cc(F)ccc4o3)c2)cn1 |r|
Cc1ccc(O)c(O)c1
Cc1ccc(Oc2ncnc3[nH]ccc23)c(C)c1
Cc1ccc(Oc2ncnc3[nH]ccc23)cc1
Cc1ccc(\C=C2/OC(=O)c3ccccc23)cc1
Cc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1
Cc1ccc(cc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
Cc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3n(C)c(=O)n(C)c(=O)c23)n1
Cc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
Cc1ccc(cc1)[C@@H](O)Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1 |r|
Cc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cc1ccc(cc1N=C=O)N=C=O
Cc1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cc1ccc2C(=C)OC(=O)c2c1
Cc1ccc2C(=O)OC(=C)c2c1
Cc1ccc2c(c1)ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
Cc1ccc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c1
Cc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F |r|
Cc1cccc(Nc2ccccc2C(O)=O)c1C
Cc1cccc(O)c1C
Cc1cccc(O)c1O
Cc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cc1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
Cc1cccc2c1ncn(CC(=O)NCCc1ccc(OC(F)F)cc1)c2=O
Cc1cccc2c1ncn(CC(=O)NCCc1ccccc1)c2=O
Cc1cccc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c12
Cc1cccc2nn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12 |r|
Cc1ccccc1-c1ccc2[nH]ncc2c1
Cc1ccccc1Oc1ncnc2[nH]ccc12
Cc1ccnc2cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1ccnc2n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(N)nc(=O)c12 |r|
Cc1ccnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ccnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12
Cc1ccnc2ncn(Cc3nc(no3)C3Cc4ccccc4C3)c(=O)c12
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r,wU:17.20,wD:15.15,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(F)cc3)c(=O)c12 |r,wU:15.15,wD:17.20,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;3.04,1.33,;4.01,.13,;2.81,-.84,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r,wU:17.20,wD:15.15,(-9.89,-2.31,;-9.89,-.77,;-11.22,,;-11.22,1.54,;-9.89,2.31,;-8.55,1.54,;-7.22,2.31,;-5.89,1.54,;-5.89,,;-4.55,-.77,;-3.22,,;-1.81,-.63,;-.78,.52,;-1.55,1.85,;-3.06,1.53,;.75,.36,;1.72,-.84,;2.92,.13,;1.95,1.33,;4.45,-.03,;5.07,-1.44,;6.61,-1.6,;7.51,-.35,;9.04,-.51,;10.13,.57,;11.22,1.66,;9.04,1.66,;11.22,-.51,;6.88,1.05,;5.35,1.21,;-7.22,-.77,;-7.22,-2.31,;-8.55,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(OC(F)F)cc3)c(=O)c12 |r,wU:17.20,wD:15.15,(-10.02,-2.31,;-10.02,-.77,;-11.35,,;-11.35,1.54,;-10.02,2.31,;-8.68,1.54,;-7.35,2.31,;-6.02,1.54,;-6.02,,;-4.68,-.77,;-3.35,,;-1.94,-.63,;-.91,.52,;-1.68,1.85,;-3.19,1.53,;.62,.36,;1.59,-.84,;2.79,.13,;1.82,1.33,;4.32,-.03,;4.94,-1.44,;6.48,-1.6,;7.38,-.35,;8.91,-.51,;9.82,.73,;11.35,.57,;9.19,2.14,;6.76,1.05,;5.22,1.21,;-7.35,-.77,;-7.35,-2.31,;-8.68,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r,wU:17.20,wD:15.15,(-9.11,-1.88,;-9.11,-.34,;-10.44,.43,;-10.44,1.97,;-9.11,2.74,;-7.78,1.97,;-6.44,2.74,;-5.11,1.97,;-5.11,.43,;-3.78,-.34,;-2.44,.43,;-1.04,-.2,;-.01,.95,;-.78,2.28,;-2.28,1.96,;1.53,.79,;2.5,-.41,;3.69,.56,;2.72,1.75,;5.22,.4,;6.13,1.64,;7.66,1.48,;8.29,.08,;9.82,-.09,;10.44,-1.49,;9.54,-2.74,;8.01,-2.58,;7.38,-1.17,;5.85,-1.01,;-6.44,-.34,;-6.44,-1.88,;-7.78,.43,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3cccc(Cl)c3)c(=O)c12 |r,wU:17.20,wD:15.15,(-8.17,-2.31,;-8.17,-.77,;-9.51,,;-9.51,1.54,;-8.17,2.31,;-6.84,1.54,;-5.5,2.31,;-4.17,1.54,;-4.17,,;-2.84,-.77,;-1.5,,;-.1,-.63,;.93,.52,;.16,1.85,;-1.34,1.53,;2.47,.36,;3.43,-.84,;4.63,.13,;3.66,1.33,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,;-5.5,-.77,;-5.5,-2.31,;-6.84,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wD:15.15,17.18,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;4.78,1.46,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(F)cc3)c(=O)c12 |r,wD:15.15,17.18,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;4.78,1.46,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3cccc(Cl)c3)c(=O)c12 |r,wD:15.15,17.18,(-8.17,-2.31,;-8.17,-.77,;-9.51,,;-9.51,1.54,;-8.17,2.31,;-6.84,1.54,;-5.5,2.31,;-4.17,1.54,;-4.17,,;-2.84,-.77,;-1.5,,;-.1,-.63,;.93,.52,;.16,1.85,;-1.34,1.53,;2.47,.36,;3.43,-.84,;4.63,.13,;5.4,1.46,;3.66,1.33,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,;-5.5,-.77,;-5.5,-2.31,;-6.84,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3cccc(F)c3)c(=O)c12 |r,wU:15.15,17.18,(-8.17,-2.31,;-8.17,-.77,;-9.51,,;-9.51,1.54,;-8.17,2.31,;-6.84,1.54,;-5.5,2.31,;-4.17,1.54,;-4.17,,;-2.84,-.77,;-1.5,,;-.1,-.63,;.93,.52,;.16,1.85,;-1.34,1.53,;2.47,.36,;3.66,1.33,;4.63,.13,;5.4,1.46,;3.43,-.84,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,;-5.5,-.77,;-5.5,-2.31,;-6.84,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](O)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wD:15.15,17.18,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;4.78,1.46,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3C[C@@](O)(C3)c3cccc(Cl)c3)c(=O)c12 |r,wD:15.15,17.18,(-8.17,-2.31,;-8.17,-.77,;-9.51,,;-9.51,1.54,;-8.17,2.31,;-6.84,1.54,;-5.5,2.31,;-4.17,1.54,;-4.17,,;-2.84,-.77,;-1.5,,;-.1,-.63,;.93,.52,;.16,1.85,;-1.34,1.53,;2.47,.36,;3.43,-.84,;4.63,.13,;5.4,1.46,;3.66,1.33,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,;-5.5,-.77,;-5.5,-2.31,;-6.84,,)|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:19|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Cc5ccccc5[C@H]34)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Oc5c(cccc5Cl)[C@H]34)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nn(CCCOc4cccc(Cl)c4)c(=O)o3)c(=O)c12
Cc1ccnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1ccnc2ncn(Cc3nn(CCc4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Cc1ccnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-8.78,-2.78,;-8.78,-1.24,;-10.12,-.47,;-10.12,1.07,;-8.78,1.84,;-7.45,1.07,;-6.12,1.84,;-4.78,1.07,;-4.78,-.47,;-3.45,-1.24,;-2.11,-.47,;-.71,-1.1,;.32,.04,;1.85,-.12,;2.79,-1.34,;4.01,-.41,;3.08,.81,;5.54,-.62,;6.12,-2.05,;7.65,-2.25,;8.59,-1.04,;10.12,-1.25,;8.01,.39,;6.48,.6,;-.45,1.38,;.18,2.78,;-1.95,1.06,;-6.12,-1.24,;-6.12,-2.78,;-7.45,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-8.78,-2.78,;-8.78,-1.24,;-10.11,-.47,;-10.11,1.07,;-8.78,1.84,;-7.45,1.07,;-6.11,1.84,;-4.78,1.07,;-4.78,-.47,;-3.45,-1.24,;-2.11,-.47,;-.71,-1.1,;.33,.04,;1.86,-.12,;2.78,-1.35,;4.01,-.42,;3.09,.81,;5.54,-.63,;6.12,-2.06,;7.64,-2.27,;8.59,-1.06,;10.11,-1.27,;8.01,.37,;6.49,.58,;-.44,1.38,;.18,2.78,;-1.95,1.06,;-6.11,-1.24,;-6.11,-2.78,;-7.45,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-9.54,-2.78,;-9.54,-1.24,;-10.88,-.47,;-10.88,1.07,;-9.54,1.84,;-8.21,1.07,;-6.88,1.84,;-5.54,1.07,;-5.54,-.47,;-4.21,-1.24,;-2.87,-.47,;-1.47,-1.1,;-.44,.04,;1.09,-.12,;2.02,-1.35,;3.25,-.42,;2.32,.81,;4.78,-.63,;5.35,-2.06,;6.88,-2.27,;7.83,-1.06,;7.25,.37,;5.72,.58,;9.35,-1.27,;10.88,-1.49,;-1.21,1.38,;-.58,2.78,;-2.71,1.06,;-6.88,-1.24,;-6.88,-2.78,;-8.21,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc5ncccc5c4)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-9.25,-2.78,;-9.25,-1.24,;-10.59,-.47,;-10.59,1.07,;-9.25,1.84,;-7.92,1.07,;-6.59,1.84,;-5.25,1.07,;-5.25,-.47,;-3.92,-1.24,;-2.59,-.47,;-1.18,-1.1,;-.15,.04,;1.38,-.12,;2.31,-1.35,;3.54,-.42,;2.61,.81,;5.07,-.63,;5.64,-2.06,;7.17,-2.27,;8.12,-1.06,;9.64,-1.27,;10.59,-.06,;10.01,1.37,;8.49,1.58,;7.54,.37,;6.01,.58,;-.92,1.38,;-.29,2.78,;-2.42,1.06,;-6.59,-1.24,;-6.59,-2.78,;-7.92,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wD:13.12,15.15,(-8.78,-2.78,;-8.78,-1.24,;-10.11,-.47,;-10.11,1.07,;-8.78,1.84,;-7.45,1.07,;-6.11,1.84,;-4.78,1.07,;-4.78,-.47,;-3.45,-1.24,;-2.11,-.47,;-.71,-1.1,;.33,.04,;1.86,-.12,;2.78,-1.35,;4.01,-.42,;4.79,.91,;3.09,.81,;5.54,-.63,;6.12,-2.06,;7.64,-2.27,;8.59,-1.06,;10.11,-1.27,;8.01,.37,;6.49,.58,;-.44,1.38,;.18,2.78,;-1.95,1.06,;-6.11,-1.24,;-6.11,-2.78,;-7.45,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r,wD:13.12,15.15,(-8.78,-2.78,;-8.78,-1.24,;-10.11,-.47,;-10.11,1.07,;-8.78,1.84,;-7.45,1.07,;-6.11,1.84,;-4.78,1.07,;-4.78,-.47,;-3.45,-1.24,;-2.11,-.47,;-.71,-1.1,;.33,.04,;1.86,-.12,;2.78,-1.35,;4.01,-.42,;4.79,.91,;3.09,.81,;5.54,-.63,;6.12,-2.06,;7.64,-2.27,;8.59,-1.06,;10.11,-1.27,;8.01,.37,;6.49,.58,;-.44,1.38,;.18,2.78,;-1.95,1.06,;-6.11,-1.24,;-6.11,-2.78,;-7.45,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12 |r,wD:13.12,15.15,(-9.54,-2.78,;-9.54,-1.24,;-10.88,-.47,;-10.88,1.07,;-9.54,1.84,;-8.21,1.07,;-6.88,1.84,;-5.54,1.07,;-5.54,-.47,;-4.21,-1.24,;-2.87,-.47,;-1.47,-1.1,;-.44,.04,;1.09,-.12,;2.02,-1.35,;3.25,-.42,;4.03,.91,;2.32,.81,;4.78,-.63,;5.35,-2.06,;6.88,-2.27,;7.83,-1.06,;7.25,.37,;5.72,.58,;9.35,-1.27,;10.88,-1.49,;-1.21,1.38,;-.58,2.78,;-2.71,1.06,;-6.88,-1.24,;-6.88,-2.78,;-8.21,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4cccc(F)c4)c(=O)o3)c(=O)c12 |r,wU:13.12,15.15,(-8.2,-2.78,;-8.2,-1.24,;-9.54,-.47,;-9.54,1.07,;-8.2,1.84,;-6.87,1.07,;-5.54,1.84,;-4.2,1.07,;-4.2,-.47,;-2.87,-1.24,;-1.53,-.47,;-.13,-1.1,;.9,.04,;2.43,-.12,;3.66,.81,;4.59,-.42,;5.37,.91,;3.36,-1.35,;6.12,-.63,;6.69,-2.06,;8.22,-2.27,;9.17,-1.06,;8.59,.37,;9.54,1.58,;7.06,.58,;.13,1.38,;.76,2.78,;-1.37,1.06,;-5.54,-1.24,;-5.54,-2.78,;-6.87,-.47,)|
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@](F)(C4)c4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12 |r,wU:15.15,wD:13.12,(-9.55,-2.78,;-9.55,-1.24,;-10.88,-.47,;-10.88,1.07,;-9.55,1.84,;-8.21,1.07,;-6.88,1.84,;-5.54,1.07,;-5.54,-.47,;-4.21,-1.24,;-2.88,-.47,;-1.47,-1.1,;-.44,.04,;1.09,-.12,;2.02,-1.34,;3.25,-.41,;4.03,.92,;2.32,.81,;4.78,-.62,;5.36,-2.05,;6.88,-2.25,;7.83,-1.04,;7.24,.39,;5.72,.6,;9.35,-1.25,;10.88,-1.45,;9.56,.28,;9.14,-2.77,;-1.21,1.38,;-.58,2.78,;-2.72,1.06,;-6.88,-1.24,;-6.88,-2.78,;-8.21,-.47,)|
Cc1cnc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1cnc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc1-c1ccc(nc1)C(F)(F)F |r|
Cc1cnc(Cl)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1cnc(N)n(Cc2nc(no2)[C@@H]2CO[C@H](C2)c2ccc(Cl)cc2)c1=O |r|
Cc1cnc(cc1CNC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r,wU:17.20,wD:15.15,(-9.11,-1.88,;-9.11,-.34,;-10.44,.43,;-10.44,1.97,;-9.11,2.74,;-7.78,1.97,;-6.44,2.74,;-5.11,1.97,;-5.11,.43,;-3.78,-.34,;-2.44,.43,;-1.04,-.2,;-.01,.95,;-.78,2.28,;-2.28,1.96,;1.53,.79,;2.5,-.41,;3.69,.56,;2.72,1.75,;5.22,.4,;6.13,1.64,;7.66,1.48,;8.29,.08,;9.82,-.09,;10.44,-1.49,;9.54,-2.74,;8.01,-2.58,;7.38,-1.17,;5.85,-1.01,;-6.44,-.34,;-6.44,-1.88,;-7.78,.43,)|
Cc1cncc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wD:15.15,17.18,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;4.78,1.46,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1cncc2ncn(Cc3nc(no3)[C@H]3C[C@@](O)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wD:15.15,17.18,(-8.8,-2.31,;-8.8,-.77,;-10.13,,;-10.13,1.54,;-8.8,2.31,;-7.46,1.54,;-6.13,2.31,;-4.8,1.54,;-4.8,,;-3.46,-.77,;-2.13,,;-.72,-.63,;.31,.52,;-.46,1.85,;-1.97,1.53,;1.84,.36,;2.81,-.84,;4.01,.13,;4.78,1.46,;3.04,1.33,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,;-6.13,-.77,;-6.13,-2.31,;-7.46,,)|
Cc1cncc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Cc5ccccc5[C@H]34)c(=O)c12 |r|
Cc1cncc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1cnccc1\N=N\c1ccccc1
Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1cnn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cccc(F)c3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cn3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)C#N)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4cn[nH]c4c3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4cnn(C)c4c3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ncsc4c3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)ccn3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c(=O)c12 |r|
Cc1cnn2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wU:14.14,16.17,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.89,1.33,;3.86,.13,;4.63,1.46,;2.66,-.84,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cc1cnn2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3cccc(Cl)c3)c(=O)c12 |r,wU:14.14,16.17,(-8.93,-1.94,;-8.45,-.48,;-9.36,.77,;-8.45,2.02,;-6.99,1.54,;-5.65,2.31,;-4.32,1.54,;-4.32,,;-2.99,-.77,;-1.65,,;-.25,-.63,;.79,.52,;.02,1.85,;-1.49,1.53,;2.32,.36,;3.51,1.33,;4.48,.13,;5.25,1.46,;3.29,-.84,;6.01,-.03,;6.64,-1.44,;8.17,-1.6,;9.08,-.35,;8.45,1.05,;9.36,2.3,;6.92,1.21,;-5.65,-.77,;-5.65,-2.31,;-6.99,,)|
Cc1cnnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1csc2ncc(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)n12
Cc1n[nH]c2ccc(cc12)-c1ccccc1C(F)(F)F
Cc1n[nH]c2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(Br)n2ncn(Cc3nc(CC(O)c4ccc(Cl)cc4)no3)c(=O)c12
Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(Br)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1nc(C)n2ncn(Cc3nc(CC(O)c4ccc(Cl)cc4)no3)c(=O)c12
Cc1nc(C)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(C)n2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1nc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(n1)-c1ccc(nc1)C(F)(F)F |r|
Cc1nc(Cl)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1
Cc1nc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)no1
Cc1nc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1
Cc1nc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)no1
Cc1nc(N)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1nc(N2CC(CN)C2)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(N2CCNCC2)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(N2CCOCC2)n2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc(NC2CNC2)n2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nc2[nH]c(=O)n(C)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Cc1nc2n(C)c(=O)n(Cc3ccccn3)c(=O)c2n1CC(=O)Nc1cccc(n1)-c1ccc(Cl)cc1
Cc1nc2n(C)c(=O)n(Cc3ccccn3)c(=O)c2n1CC(=O)Nc1cccc(n1)-c1ccc(F)c(F)c1
Cc1nc2n(C)c(=O)n(Cc3ccccn3)c(=O)c2n1CC(=O)Nc1cccc(n1)-c1cnc(nc1)C(F)(F)F
Cc1nc2n(C)c(=O)n(Cc3ccccn3)c(=O)c2n1CC(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F |r|
Cc1nc2nc(C)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c2n1C |r|
Cc1nc2nc(Cl)n(C)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Cc1nc2nc(N)n(C)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Cc1nc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c2n1C |r|
Cc1nc2ncn(C)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Cc1nc2ncn(C)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r|
Cc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(CCCO)c(=O)c23)n1
Cc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(CCO)c(=O)c23)n1
Cc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)Cn2cnc3n(C)c(=O)n(Cc4ccon4)c(=O)c23)n1
Cc1ncccc1C(=O)N([C@@H](C(N)=O)c1ccccc1)[C@@H]1CCc2c1cc(Cl)cc2F |r|
Cc1ncn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ncn2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1ncn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1ncn2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cc1ncn2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cc1ncnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cc1nn(C)c2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1nn(C)c2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1
Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)n1
Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1
Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(c(C)c4)C(F)(F)F)c3c2=O)n1
Cc1noc(Cn2c(=O)n(C)c3ncn(CC(N)=O)c3c2=O)n1
Cc1noc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cc1noc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.6,-1.24,;-2.26,-.47,;-.86,-1.1,;.17,.04,;1.71,-.12,;2.93,.81,;3.86,-.41,;2.64,-1.34,;5.39,-.62,;5.97,-2.05,;7.5,-2.25,;8.44,-1.04,;9.97,-1.25,;7.86,.39,;6.33,.6,;-.6,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(C)(C)C)c(F)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(c(F)c1)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)cc(c1)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(OC(F)(F)F)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(c1)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(OC(F)(F)F)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1F)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(Cl)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(F)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OCC(F)(F)F)c(Cl)c1
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1F)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(cc1F)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1COC(=O)CN
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1COP(O)(O)=O
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5cccc(F)c5o4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5o4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Br)cc4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4ccc(C)cc4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c2c1C(N)=O |r|
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)s4)n3)c(=O)c2c1C(N)=O |r|
Cc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1
ClCC(=O)c1ccccc1
Clc1cc(Cl)cc(\C=C\c2ccccc2)c1
Clc1cc(ccn1)\N=N\c1ccccc1
Clc1ccc(C=CCN=O)cc1 |w:5.4|
Clc1ccc(CCNC(=O)Cn2cnc3c(cccc3c2=O)C#N)cc1
Clc1ccc(CCNC(=O)Cn2cnc3ccccc3c2=O)cc1
Clc1ccc(CCNC(=O)Cn2cnc3cnccc3c2=O)cc1
Clc1ccc(CCNC(=O)Cn2cnc3ncccc3c2=O)cc1
Clc1ccc(CCc2nc(Cn3cnc4ncccc4c3=O)no2)cc1
Clc1ccc(CCc2nnc(Cn3cnc4ncccc4c3=O)o2)cc1
Clc1ccc(CCc2noc(Cn3cnc4ncccc4c3=O)n2)cc1
Clc1ccc(CCc2noc(Cn3cnc4ncccc4c3=O)n2)cn1
Clc1ccc(CCc2noc(Cn3cnc4nccnc4c3=O)n2)cc1
Clc1ccc(CCc2noc(Cn3cnc4ncncc4c3=O)n2)cc1
Clc1ccc(CCc2noc(Cn3cnc4nnccc4c3=O)n2)cc1
Clc1ccc(Nc2n[nH]c3ccccc23)cc1
Clc1ccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Clc1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
Clc1ccc(OC(=O)N2CCN(Cc3ccccn3)CC2)cc1
Clc1ccc(Oc2ncnc3[nH]ccc23)cc1
Clc1ccc(SC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1
Clc1ccc(SC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
Clc1ccc(\C=C2/OC(=O)c3ccccc23)cc1
Clc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
Clc1ccc(\C=C\c2nc(Cn3cnc4ncccc4c3=O)no2)cc1
Clc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Clc1ccc(cc1)-c1nnc(N2CCOCC2)n1-c1ccccc1
Clc1ccc(cc1)C(=O)C(NC(=O)c1ccccc1)C1CC1
Clc1ccc(cc1)[C@H]1C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r,wU:7.7,wD:9.12,(10.13,-.51,;8.6,-.35,;7.69,-1.6,;6.16,-1.44,;5.54,-.03,;6.44,1.21,;7.97,1.05,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,)|
Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2ccn3c(cccc3=O)c2=O)oc1=O |r,wU:7.7,wD:9.12,(10.11,-1.57,;8.59,-1.36,;7.64,-2.57,;6.12,-2.36,;5.54,-.93,;6.49,.29,;8.01,.07,;4.01,-.71,;2.78,-1.64,;1.86,-.41,;3.09,.51,;.33,-.25,;-.71,-1.4,;-2.11,-.77,;-3.45,-1.54,;-4.78,-.77,;-4.78,.77,;-6.11,1.54,;-7.45,.77,;-7.45,-.77,;-8.78,-1.54,;-10.11,-.77,;-10.11,.77,;-8.78,1.54,;-8.78,3.08,;-6.11,-1.54,;-6.11,-3.08,;-1.95,.76,;-.44,1.08,;.18,2.49,)|
Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3nccc(Cl)c3c2=O)oc1=O |r,wU:7.7,wD:9.12,(10.11,-1.27,;8.59,-1.06,;7.64,-2.27,;6.12,-2.06,;5.54,-.63,;6.49,.58,;8.01,.37,;4.01,-.42,;2.78,-1.35,;1.86,-.12,;3.09,.81,;.33,.04,;-.71,-1.1,;-2.11,-.47,;-3.45,-1.24,;-4.78,-.47,;-4.78,1.07,;-6.11,1.84,;-7.45,1.07,;-8.78,1.84,;-10.11,1.07,;-10.11,-.47,;-8.78,-1.24,;-8.78,-2.78,;-7.45,-.47,;-6.11,-1.24,;-6.11,-2.78,;-1.95,1.06,;-.44,1.38,;.18,2.78,)|
Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O |r,wU:7.7,wD:9.12,(10.11,-1.27,;8.59,-1.06,;7.64,-2.27,;6.12,-2.06,;5.54,-.63,;6.49,.58,;8.01,.37,;4.01,-.42,;2.78,-1.35,;1.86,-.12,;3.09,.81,;.33,.04,;-.71,-1.1,;-2.11,-.47,;-3.45,-1.24,;-4.78,-.47,;-4.78,1.07,;-6.11,1.84,;-7.45,1.07,;-8.78,1.84,;-10.11,1.07,;-10.11,-.47,;-8.78,-1.24,;-7.45,-.47,;-6.11,-1.24,;-6.11,-2.78,;-1.95,1.06,;-.44,1.38,;.18,2.78,)|
Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2ncc3ncccc3c2=O)oc1=O |r,wU:9.12,wD:7.7,(10.11,-1.27,;8.59,-1.06,;7.64,-2.27,;6.12,-2.06,;5.54,-.63,;6.49,.58,;8.01,.37,;4.01,-.42,;3.09,.81,;1.86,-.12,;2.78,-1.35,;.33,.04,;-.71,-1.1,;-2.11,-.47,;-3.45,-1.24,;-4.78,-.47,;-4.78,1.07,;-6.11,1.84,;-7.45,1.07,;-8.78,1.84,;-10.11,1.07,;-10.11,-.47,;-8.78,-1.24,;-7.45,-.47,;-6.11,-1.24,;-6.11,-2.78,;-1.95,1.06,;-.44,1.38,;.18,2.78,)|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ccc3nc(=O)ccn3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ccn3c(cccc3=O)c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3CNCCc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3NC(=O)CCc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3[nH]c(=O)ccc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3cnccc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnn3ncc(C#N)c3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ncc3CNCCc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Clc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ncn3c(cccc3=O)c2=O)n1 |r|
Clc1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Clc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
Clc1cccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)c1
Clc1cccc(c1)-c1nc2ccc(Cl)cn2c1NC1CC1
Clc1cccc(c1)C1=C[C@@H]2[C@H](C1)[C@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r,t:8|
Clc1cccc(c1)C1=C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r,t:8|
Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3cnccc3c2=O)n1 |r|
Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Clc1cccc(c1)[C@H]1C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r,wU:7.7,wD:9.12,(9.51,2.3,;8.6,1.05,;9.23,-.35,;8.32,-1.6,;6.79,-1.44,;6.16,-.03,;7.07,1.21,;4.63,.13,;3.43,-.84,;2.47,.36,;3.66,1.33,;.93,.52,;.16,1.85,;-1.34,1.53,;-1.5,,;-2.84,-.77,;-4.17,,;-4.17,1.54,;-5.5,2.31,;-6.84,1.54,;-8.17,2.31,;-9.51,1.54,;-9.51,,;-8.17,-.77,;-6.84,,;-5.5,-.77,;-5.5,-2.31,;-.1,-.63,)|
Clc1ccccc1-c1ccc2[nH]ncc2c1
Clc1ccccc1\[#6]=[#6](\C#N)C#N
Clc1cccnc1N1CCN(CC1)C(=O)Oc1cccc(c1)-c1ccccc1
Clc1ccnc(c1)C1=C[C@@H]2[C@H](C1)[C@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r,t:8|
Clc1ccnc(c1)C1=C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r,t:8|
Clc1ccnc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Clc1ccnc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Clc1cnc(CNc2cc3sncc3cc2Cl)s1
Clc1cnc(CNc2ccc3cnsc3c2)s1
Clc1cnc(CNc2ccc3sncc3c2)s1
Clc1cncc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)c1 |r|
Clc1csc(c1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Clc1csc(c1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
Cn1c(=O)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cn(-c2ccc(cc2)C(F)(F)F)c1=O |r|
Cn1c(Cl)cnc1CNc1ccc2sncc2c1
Cn1c(Cl)nc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:19|
Cn1c(N)nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1c(N)nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1c(N)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:19|
Cn1c(NC2CCOCC2)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:26|
Cn1c(NC2COC2)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:24|
Cn1c(NCCO)nc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:22|
Cn1c(NCc2ccccn2)nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1c(nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12)C(F)F |r|
Cn1c2=[N]=C[N](CC(=O)Nc3nc(cs3)-c3ccc(Br)cc3)=c2c(=O)n(C)c1=O |c:23|
Cn1c2c(ccc1=O)ncn(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)c2=O |r|
Cn1c2c(ccc1=O)ncn(Cc1nc(no1)[C@@H]1[C@H]3CN(C[C@@H]13)c1cc(Cl)ccn1)c2=O |r|
Cn1c2c(ccc1=O)ncn(Cc1nc(no1)[C@@H]1[C@H]3CN(C[C@@H]13)c1cccc(Cl)c1)c2=O |r|
Cn1c2c(ccc1=O)ncn(Cc1nc(no1)[C@H]1[C@@H]3CC(=C[C@H]13)c1ccccc1)c2=O |r,c:22|
Cn1c2c(ccc1=O)ncn(Cc1nn(C[C@H](F)c3ccc(Cl)cc3)c(=O)o1)c2=O |r|
Cn1c2c(ccc1=O)ncn(Cc1nn([C@H]3C[C@@H](C3)c3ccc(Cl)cc3)c(=O)o1)c2=O |r,wU:15.15,wD:17.20,(-8.11,-2.78,;-8.11,-1.24,;-6.78,-.47,;-6.78,1.07,;-8.11,1.84,;-9.45,1.07,;-9.45,-.47,;-10.78,-1.24,;-5.45,1.84,;-4.11,1.07,;-4.11,-.47,;-2.78,-1.24,;-1.45,-.47,;-.04,-1.1,;.99,.04,;2.52,-.12,;3.75,.81,;4.68,-.42,;3.45,-1.35,;6.21,-.63,;6.78,-2.06,;8.31,-2.27,;9.26,-1.06,;10.78,-1.27,;8.68,.37,;7.15,.58,;.22,1.38,;.85,2.78,;-1.28,1.06,;-5.45,-1.24,;-5.45,-2.78,)|
Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)[nH]c1=O |r|
Cn1c2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)oc1=O |r|
Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(C)(C)C)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC4CCC4)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3ccc(OCC(C)(C)C)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3ccn(n3)-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3ccn(n3)-c3cccc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(Cl)ccc3F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Br)cc3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(F)cc3F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(I)cc3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C3CCCCC3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(cc3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(Cl)c3F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(F)c3F)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(OC(F)(F)F)c3)c2c(=O)n(C)c1=O
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3ccc(F)cc3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3ccc(I)cc3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(F)cc3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)cc3)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2cnn(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3ccc(Cl)cc3)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3ccc(F)c(F)c3)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)C(F)(F)F)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c(=O)n(Cc2ccccn2)c1=O |r|
Cn1c2ncn(CC(=O)Nc3csc(n3)-c3ccc(Cl)cc3)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(CC(=O)Nc3csc(n3)-c3ccc(F)c(F)c3)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(CC(=O)Nc3csc(n3)-c3cnc(nc3)C(F)(F)F)c2c(=O)n(Cc2ccccn2)c1=O
Cn1c2ncn(Cc3nc(CC(O)c4ccc(Cl)cc4)no3)c(=O)c2n(C)c1=O
Cn1c2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2c(=O)n(C)c1=O |r|
Cn1c2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c2c(=O)n(C)c1=O |r|
Cn1c2noc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(F)c(OC(F)(F)F)c3)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(CCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2scc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2scc(CC(=O)\N=c3/scc(-c4ccc(F)c(c4F)C(F)(F)F)n3COP(O)(O)=O)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(cc3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Cn1cc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cn1cc(cn1)-c1cc(Cl)cc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cn1cc(cn1)-c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cn1cc(cn1)-c1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Cn1ccc2c(Oc3ccc(F)cc3F)ncnc12
Cn1ccc2cc(CCn3nc(Cn4cnc5ncn(C)c5c4=O)oc3=O)ccc12
Cn1ccc2cc(ccc12)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1 |r|
Cn1cnc2[nH]c(=O)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2c(nn(Cc3nc(CCc4ccc(Cl)cc4)no3)c2c1=O)C#N
Cn1cnc2c(nn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12)C#N |r|
Cn1cnc2c(nn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12)C(N)=O |r|
Cn1cnc2c(nn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2c1=O)C#N |r|
Cn1cnc2c(nn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c2c1=O)C#N |r|
Cn1cnc2c(nn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c2c1=O)C#N
Cn1cnc2c(nn(Cc3nn(CCc4ccc(OC(F)F)cc4)c(=O)o3)c2c1=O)C#N
Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1cnc2cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2cnn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cncc(Cl)c3)c(=O)c12 |r|
Cn1cnc2cnn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cn1cnc2cnn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.59,-1.24,;-2.26,-.47,;-.85,-1.1,;.18,.04,;1.71,-.12,;2.94,.81,;3.86,-.42,;2.64,-1.35,;5.39,-.63,;5.97,-2.06,;7.49,-2.27,;8.44,-1.06,;9.97,-1.27,;7.86,.37,;6.34,.58,;-.59,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2nc(Cl)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2c1=O |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c2c1=O |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)C(F)(F)F)c(=O)c12 |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)S(F)(F)(F)(F)F)c(=O)c12 |r|
Cn1cnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cccc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(CC(O)c4ccc(Cl)cc4)no3)c(=O)c12
Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CC[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CC[C@H](C3)c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@@]4(Cc5ccccc45)C3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cc(F)c(F)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cc(F)cc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Br)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)c(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=S)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2c1=O |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)c(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c2c1=O |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(OC(F)F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)-c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)C(F)(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)C3CC3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(cc3)S(F)(F)(F)(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc4ncsc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cccc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3cccc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccccc3Cl)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccccc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@](C)(C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4C=C([C@@H](O)[C@@H]34)c3ccccc3)c(=O)c12 |r,c:17|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)c(F)c(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cc(F)cc(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(Cl)cc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(Cl)cn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)cc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)cc3F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(F)cn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc(cc3)C#N)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc4[nH]ncc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc4ccncc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc4ncsc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccc4scnc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccc(c3)C(F)F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3cccnc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccncc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC[C@H](Oc5ccccc5)[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H](F)c5ccc(Cl)cc5)C[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3c(F)ccc(Cl)c3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)c(F)cc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)c(F)cn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)cc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)cc(c3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)c(C#N)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)c(Cl)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)cc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)cc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)cc(c3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)ccc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(F)ccn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc4ccccc4cn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(C#N)c(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(C#N)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(C=O)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)c(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)cc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)cn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(Cl)nc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(F)c(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(OC(F)F)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(cc3)-c3cnco3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(cc3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(cc3)C(F)(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc(cc3F)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4CCCCc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4CCCc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ccccc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ccncc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4n(C)ncc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ncccc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ncoc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ncsc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4ocnc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4scnc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccc4sncc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(OC(F)(F)F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(OC(F)F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(SC(F)(F)F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-c3cccnc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-c3ccncc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-c3cnco3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-c3ncco3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)-n3cccn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)C(F)(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)C(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(c3)C3CC3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(n3)C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3C#N)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3Cl)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccccn3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccnc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccnc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccnc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ccncc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cnc4ccccc4c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cncc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cncc(F)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cncc(c3)C(F)(F)F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3ncccc3F)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4C[C@@H]3CN(C4)c3ccccc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5c(cccc5Cl)[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5cc(Cl)ccc5[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5ccccc5C[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4Oc5c(cccc5Cl)[C@@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3CC[C@@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)C(=O)c3cccc(Cl)c3)c(=O)c12 |r,wU:14.14,wD:16.19,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.75,.55,;3.72,-.65,;2.52,-1.62,;5.25,-.81,;5.88,-2.22,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)C(F)(F)c3cccc(Cl)c3)c(=O)c12 |r,wU:14.14,wD:16.19,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.75,.55,;3.72,-.65,;2.52,-1.62,;5.25,-.81,;6.34,-1.9,;4.16,-1.9,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)Oc3ccc(Cl)cc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.07,-3.26,;-8.59,-1.8,;-9.5,-.55,;-8.59,.69,;-7.13,.22,;-5.79,.99,;-4.46,.22,;-4.46,-1.32,;-3.12,-2.09,;-1.79,-1.32,;-.38,-1.95,;.65,-.8,;-.12,.53,;-1.63,.21,;2.18,-.96,;3.15,-2.16,;4.34,-1.19,;3.37,.01,;5.88,-1.35,;6.78,-.11,;8.31,-.27,;9.22,.98,;8.59,2.39,;9.5,3.63,;7.06,2.55,;6.15,1.3,;-5.79,-2.09,;-5.79,-3.63,;-7.13,-1.32,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)Oc3ccc(F)cc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.07,-3.26,;-8.59,-1.8,;-9.5,-.55,;-8.59,.69,;-7.13,.22,;-5.79,.99,;-4.46,.22,;-4.46,-1.32,;-3.12,-2.09,;-1.79,-1.32,;-.38,-1.95,;.65,-.8,;-.12,.53,;-1.63,.21,;2.18,-.96,;3.15,-2.16,;4.34,-1.19,;3.37,.01,;5.88,-1.35,;6.78,-.11,;8.31,-.27,;9.22,.98,;8.59,2.39,;9.5,3.63,;7.06,2.55,;6.15,1.3,;-5.79,-2.09,;-5.79,-3.63,;-7.13,-1.32,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)Oc3cccc(Cl)c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.52,-1.62,;3.72,-.65,;2.75,.55,;5.25,-.81,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)Oc3cccc(F)c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.52,-1.62,;3.72,-.65,;2.75,.55,;5.25,-.81,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)Oc3cccc(c3)C#N)c(=O)c12 |r,wU:16.19,wD:14.14,(-10.46,-2.72,;-9.98,-1.25,;-10.89,-.01,;-9.98,1.24,;-8.52,.76,;-7.18,1.53,;-5.85,.76,;-5.85,-.78,;-4.52,-1.55,;-3.18,-.78,;-1.78,-1.4,;-.75,-.26,;-1.52,1.07,;-3.02,.75,;.79,-.42,;1.75,-1.62,;2.95,-.65,;1.98,.55,;4.48,-.81,;5.39,.44,;4.76,1.84,;5.67,3.09,;7.2,2.93,;7.82,1.52,;6.92,.27,;9.36,1.36,;10.89,1.2,;-7.18,-1.55,;-7.18,-3.09,;-8.52,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3cc(Cl)ccc3F)c(=O)c12 |r,wU:16.19,wD:14.14,(-8.93,-1.75,;-8.45,-.29,;-9.36,.96,;-8.45,2.2,;-6.99,1.73,;-5.65,2.5,;-4.32,1.73,;-4.32,.19,;-2.99,-.58,;-1.65,.19,;-.25,-.44,;.79,.71,;.02,2.04,;-1.49,1.72,;2.32,.54,;3.29,-.65,;4.48,.32,;3.51,1.51,;6.01,.16,;6.92,1.4,;8.45,1.24,;9.36,2.49,;9.08,-.17,;8.17,-1.41,;6.64,-1.25,;5.74,-2.5,;-5.65,-.58,;-5.65,-2.12,;-6.99,.19,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.66,-.84,;3.86,.13,;2.89,1.33,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(F)c(Cl)c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.66,-.84,;3.86,.13,;2.89,1.33,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;8.73,2.3,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-10.64,-1.94,;-10.17,-.48,;-11.07,.77,;-10.17,2.02,;-8.7,1.54,;-7.37,2.31,;-6.03,1.54,;-6.03,,;-4.7,-.77,;-3.37,,;-1.96,-.63,;-.93,.52,;-1.7,1.85,;-3.21,1.53,;.6,.36,;1.57,-.84,;2.77,.13,;1.8,1.33,;4.3,-.03,;4.93,-1.44,;6.46,-1.6,;7.36,-.35,;8.89,-.51,;9.98,.57,;11.07,1.66,;8.89,1.66,;11.07,-.51,;6.74,1.05,;5.2,1.21,;-7.37,-.77,;-7.37,-2.31,;-8.7,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc(OC(F)F)cc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-10.77,-1.94,;-10.3,-.48,;-11.2,.77,;-10.3,2.02,;-8.83,1.54,;-7.5,2.31,;-6.16,1.54,;-6.16,,;-4.83,-.77,;-3.5,,;-2.09,-.63,;-1.06,.52,;-1.83,1.85,;-3.34,1.53,;.47,.36,;1.44,-.84,;2.64,.13,;1.67,1.33,;4.17,-.03,;4.8,-1.44,;6.33,-1.6,;7.23,-.35,;8.76,-.51,;9.67,.73,;11.2,.57,;9.04,2.14,;6.61,1.05,;5.07,1.21,;-7.5,-.77,;-7.5,-2.31,;-8.83,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccc4ccccc4c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-10.01,-1.94,;-9.53,-.48,;-10.44,.77,;-9.53,2.02,;-8.07,1.54,;-6.73,2.31,;-5.4,1.54,;-5.4,,;-4.06,-.77,;-2.73,,;-1.32,-.63,;-.29,.52,;-1.06,1.85,;-2.57,1.53,;1.24,.36,;2.21,-.84,;3.4,.13,;2.43,1.33,;4.94,-.03,;5.56,-1.44,;7.09,-1.6,;8,-.35,;9.53,-.51,;10.44,.73,;9.81,2.14,;8.28,2.3,;7.37,1.05,;5.84,1.21,;-6.73,-.77,;-6.73,-2.31,;-8.07,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3cccc(Cl)c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-8.93,-1.94,;-8.45,-.48,;-9.36,.77,;-8.45,2.02,;-6.99,1.54,;-5.65,2.31,;-4.32,1.54,;-4.32,,;-2.99,-.77,;-1.65,,;-.25,-.63,;.79,.52,;.02,1.85,;-1.49,1.53,;2.32,.36,;3.29,-.84,;4.48,.13,;3.51,1.33,;6.01,-.03,;6.64,-1.44,;8.17,-1.6,;9.08,-.35,;8.45,1.05,;9.36,2.3,;6.92,1.21,;-5.65,-.77,;-5.65,-2.31,;-6.99,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3cccc(F)c3)c(=O)c12 |r,wU:16.19,wD:14.14,(-8.93,-1.94,;-8.45,-.48,;-9.36,.77,;-8.45,2.02,;-6.99,1.54,;-5.65,2.31,;-4.32,1.54,;-4.32,,;-2.99,-.77,;-1.65,,;-.25,-.63,;.79,.52,;.02,1.85,;-1.49,1.53,;2.32,.36,;3.29,-.84,;4.48,.13,;3.51,1.33,;6.01,-.03,;6.64,-1.44,;8.17,-1.6,;9.08,-.35,;8.45,1.05,;9.36,2.3,;6.92,1.21,;-5.65,-.77,;-5.65,-2.31,;-6.99,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3cccc(c3)C#N)c(=O)c12 |r,wU:16.19,wD:14.14,(-8.96,-.89,;-8.49,.58,;-9.39,1.82,;-8.49,3.07,;-7.02,2.59,;-5.69,3.36,;-4.35,2.59,;-4.35,1.05,;-3.02,.28,;-1.69,1.05,;-.28,.43,;.75,1.57,;-.02,2.9,;-1.53,2.58,;2.28,1.41,;3.25,.21,;4.45,1.18,;3.48,2.38,;5.98,1.02,;6.89,2.27,;8.42,2.1,;9.04,.7,;8.14,-.55,;6.61,-.39,;8.76,-1.95,;9.39,-3.36,;-5.69,.28,;-5.69,-1.26,;-7.02,1.05,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@H](C3)c3ccccc3)c(=O)c12 |r,wU:16.19,wD:14.14,(-8.79,-1.94,;-8.31,-.48,;-9.22,.77,;-8.31,2.02,;-6.85,1.54,;-5.51,2.31,;-4.18,1.54,;-4.18,,;-2.85,-.77,;-1.51,,;-.11,-.63,;.92,.52,;.15,1.85,;-1.35,1.53,;2.46,.36,;3.43,-.84,;4.62,.13,;3.65,1.33,;6.15,-.03,;6.78,-1.44,;8.31,-1.6,;9.22,-.35,;8.59,1.05,;7.06,1.21,;-5.51,-.77,;-5.51,-2.31,;-6.85,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wU:14.14,16.17,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.89,1.33,;3.86,.13,;4.63,1.46,;2.66,-.84,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(F)cc3)c(=O)c12 |r,wD:14.14,16.17,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.66,-.84,;3.86,.13,;4.63,1.46,;2.89,1.33,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@@](O)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wU:14.14,16.17,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.89,1.33,;3.86,.13,;4.63,1.46,;2.66,-.84,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@H](C3)C(F)(F)c3cccc(F)c3)c(=O)c12 |r,wU:14.14,16.19,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.75,.55,;3.72,-.65,;2.52,-1.62,;5.25,-.81,;5.88,-2.22,;6.78,-.97,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3C[C@H](Cc4cccc(Cl)c4)C3)c(=O)c12 |r,wU:14.14,wD:16.17,(-9.69,-2.72,;-9.22,-1.25,;-10.12,-.01,;-9.22,1.24,;-7.75,.76,;-6.42,1.53,;-5.08,.76,;-5.08,-.78,;-3.75,-1.55,;-2.42,-.78,;-1.01,-1.4,;.02,-.26,;-.75,1.07,;-2.26,.75,;1.55,-.42,;2.75,.55,;3.72,-.65,;5.25,-.81,;6.15,.44,;5.53,1.84,;6.43,3.09,;7.96,2.93,;8.59,1.52,;10.12,1.36,;7.69,.27,;2.52,-1.62,;-6.42,-1.55,;-6.42,-3.09,;-7.75,-.78,)|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cc(Cl)ccn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(C#N)c(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(Cl)cc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(Cl)cn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)c(F)c3F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)cc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(F)cn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc(cc3)C(F)F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4ccncc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4n(C)ncc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4oncc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccc4scnc4c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(Cl)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(F)c3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(F)c3F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(c3)-c3cnco3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccc(c3)C(F)F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3F)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccn3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cccnc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccncc3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3cnco3)c(=O)c12 |r,c:18|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Cc5c(cccc5Cl)[C@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Cc5cc(Cl)ccc5[C@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Cc5ccccc5[C@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4Oc5c(cccc5Cl)[C@H]34)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nc(no3)[C@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(CCCOc4cccc(Cl)c4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCCOc4cccc(F)c4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Br)c(Cl)c4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Br)cc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)c(c4)-c4ccccc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c2c1=O
Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4F)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)s4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(OC(F)(F)F)cc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)-c4ccccc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C(F)F)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C4CC4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc5ccc(cc5c4)C#N)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccc5ccccc5c4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4cccc(c4)-c4ccccc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(CCc4ccccc4)c(=O)o3)c(=O)c12
Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Br)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@@H]4CCc5cc(Cl)ccc45)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@@H]4CCc5ccc(Cl)cc45)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Br)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)(F)F)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn(C[C@H](F)c4cccc(Cl)c4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4cccc(Cl)c4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4cccc(F)c4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@@H]4C[C@@H](F)[C@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@H]4CC[C@@H](C4)c4ccccc4)c(=O)o3)c(=O)c12 |r|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.14,-3.15,;-8.66,-1.68,;-9.57,-.44,;-8.66,.81,;-7.2,.33,;-5.86,1.1,;-4.53,.33,;-4.53,-1.21,;-3.19,-1.98,;-1.86,-1.21,;-.45,-1.83,;.58,-.69,;2.11,-.85,;3.04,-2.08,;4.27,-1.14,;3.33,.08,;5.79,-1.35,;6.74,-.14,;8.26,-.34,;9.2,.87,;8.62,2.3,;9.57,3.52,;7.1,2.51,;6.15,1.29,;-.19,.65,;.43,2.05,;-1.7,.32,;-5.86,-1.98,;-5.86,-3.52,;-7.2,-1.21,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(Cl)c4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.72,-2.63,;-9.25,-1.17,;-10.15,.08,;-9.25,1.32,;-7.78,.85,;-6.45,1.62,;-5.11,.85,;-5.11,-.69,;-3.78,-1.46,;-2.45,-.69,;-1.04,-1.32,;-.01,-.18,;1.52,-.34,;2.45,-1.57,;3.68,-.64,;2.75,.59,;5.21,-.85,;6.15,.36,;5.57,1.79,;6.52,3,;8.05,2.79,;8.63,1.36,;10.15,1.15,;7.68,.15,;-.78,1.16,;-.15,2.56,;-2.28,.84,;-6.45,-1.46,;-6.45,-3,;-7.78,-.69,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(F)c4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.72,-2.64,;-9.24,-1.18,;-10.15,.07,;-9.24,1.31,;-7.78,.84,;-6.44,1.61,;-5.11,.84,;-5.11,-.7,;-3.78,-1.47,;-2.44,-.7,;-1.04,-1.33,;-.01,-.18,;1.53,-.34,;2.46,-1.57,;3.68,-.64,;2.75,.59,;5.21,-.85,;6.15,.37,;5.57,1.79,;6.51,3.01,;8.04,2.8,;8.62,1.38,;10.15,1.17,;7.68,.16,;-.78,1.15,;-.15,2.56,;-2.28,.83,;-6.44,-1.47,;-6.44,-3.01,;-7.78,-.7,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(c4)C#N)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-10.48,-2.64,;-10.01,-1.18,;-10.91,.07,;-10.01,1.31,;-8.54,.84,;-7.21,1.61,;-5.87,.84,;-5.87,-.7,;-4.54,-1.47,;-3.21,-.7,;-1.8,-1.33,;-.77,-.18,;.76,-.34,;1.69,-1.57,;2.92,-.64,;1.99,.59,;4.45,-.85,;5.39,.37,;4.81,1.79,;5.75,3.01,;7.28,2.8,;7.86,1.38,;6.92,.16,;9.38,1.17,;10.91,.96,;-1.54,1.15,;-.91,2.56,;-3.05,.83,;-7.21,-1.47,;-7.21,-3.01,;-8.54,-.7,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4ccccc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-8.96,-2.63,;-8.48,-1.17,;-9.39,.08,;-8.48,1.32,;-7.02,.85,;-5.68,1.62,;-4.35,.85,;-4.35,-.69,;-3.02,-1.46,;-1.68,-.69,;-.28,-1.32,;.75,-.18,;2.29,-.34,;3.21,-1.57,;4.44,-.64,;3.52,.59,;5.97,-.85,;6.92,.36,;8.44,.15,;9.39,1.36,;8.81,2.79,;7.28,3,;6.34,1.79,;-.02,1.16,;.61,2.56,;-1.52,.84,;-5.68,-1.46,;-5.68,-3,;-7.02,-.69,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Br)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.6,-1.24,;-2.26,-.47,;-.86,-1.1,;.17,.04,;1.71,-.12,;2.93,.81,;3.86,-.41,;2.64,-1.34,;5.39,-.62,;5.97,-2.05,;7.5,-2.25,;8.44,-1.04,;9.97,-1.25,;7.86,.39,;6.33,.6,;-.6,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)c(F)c4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.59,-1.24,;-2.26,-.47,;-.85,-1.1,;.18,.04,;1.71,-.12,;2.94,.81,;3.86,-.42,;2.64,-1.35,;5.39,-.63,;5.97,-2.06,;7.49,-2.27,;8.44,-1.06,;9.97,-1.27,;7.86,.37,;8.81,1.58,;6.34,.58,;-.59,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-8.77,-2.41,;-8.29,-.95,;-9.2,.3,;-8.29,1.54,;-6.83,1.07,;-5.49,1.84,;-4.16,1.07,;-4.16,-.47,;-2.82,-1.24,;-1.49,-.47,;-.08,-1.1,;.95,.04,;2.48,-.12,;3.71,.81,;4.63,-.42,;3.41,-1.35,;6.16,-.63,;6.74,-2.06,;8.26,-2.27,;9.21,-1.06,;10.74,-1.27,;8.63,.37,;7.11,.58,;.18,1.38,;.8,2.78,;-1.33,1.06,;-5.49,-1.24,;-5.49,-2.78,;-6.83,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.6,-1.24,;-2.26,-.47,;-.86,-1.1,;.17,.04,;1.71,-.12,;2.93,.81,;3.86,-.41,;2.64,-1.34,;5.39,-.62,;5.97,-2.05,;7.5,-2.25,;8.44,-1.04,;9.97,-1.25,;7.86,.39,;6.33,.6,;-.6,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.59,-1.24,;-2.26,-.47,;-.85,-1.1,;.18,.04,;1.71,-.12,;2.64,-1.35,;3.86,-.42,;2.94,.81,;5.39,-.63,;5.97,-2.06,;7.49,-2.27,;8.44,-1.06,;9.97,-1.27,;7.86,.37,;6.34,.58,;-.59,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.6,-1.24,;-2.26,-.47,;-.86,-1.1,;.17,.04,;1.71,-.12,;2.64,-1.34,;3.86,-.41,;2.93,.81,;5.39,-.62,;5.97,-2.05,;7.5,-2.25,;8.44,-1.04,;9.97,-1.25,;7.86,.39,;6.33,.6,;-.6,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-10.77,-2.41,;-10.3,-.95,;-11.2,.3,;-10.3,1.54,;-8.83,1.07,;-7.5,1.84,;-6.16,1.07,;-6.16,-.47,;-4.83,-1.24,;-3.5,-.47,;-2.09,-1.1,;-1.06,.04,;.47,-.12,;1.7,.81,;2.63,-.42,;1.4,-1.35,;4.15,-.63,;4.73,-2.06,;6.26,-2.27,;7.2,-1.06,;8.73,-1.27,;9.68,-.06,;11.2,-.27,;9.1,1.37,;6.63,.37,;5.1,.58,;-1.83,1.38,;-1.2,2.78,;-3.34,1.06,;-7.5,-1.24,;-7.5,-2.78,;-8.83,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-10.3,-2.41,;-9.83,-.95,;-10.73,.3,;-9.83,1.54,;-8.36,1.07,;-7.03,1.84,;-5.69,1.07,;-5.69,-.47,;-4.36,-1.24,;-3.03,-.47,;-1.62,-1.1,;-.59,.04,;.94,-.12,;1.87,-1.34,;3.1,-.41,;2.17,.81,;4.63,-.62,;5.21,-2.05,;6.74,-2.25,;7.68,-1.04,;7.1,.39,;5.57,.6,;9.2,-1.25,;10.73,-1.45,;-1.36,1.38,;-.73,2.78,;-2.86,1.06,;-7.03,-1.24,;-7.03,-2.78,;-8.36,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-10.3,-2.41,;-9.83,-.95,;-10.73,.3,;-9.83,1.54,;-8.36,1.07,;-7.03,1.84,;-5.69,1.07,;-5.69,-.47,;-4.36,-1.24,;-3.03,-.47,;-1.62,-1.1,;-.59,.04,;.94,-.12,;1.87,-1.34,;3.1,-.41,;2.17,.81,;4.63,-.62,;5.21,-2.05,;6.74,-2.25,;7.68,-1.04,;7.1,.39,;5.57,.6,;9.2,-1.25,;10.15,-.03,;9.79,-2.67,;10.73,-1.45,;-1.36,1.38,;-.73,2.78,;-2.86,1.06,;-7.03,-1.24,;-7.03,-2.78,;-8.36,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.83,-1.86,;-9.35,-.4,;-10.26,.85,;-9.35,2.09,;-7.89,1.62,;-6.55,2.39,;-5.22,1.62,;-5.22,.08,;-3.89,-.69,;-2.55,.08,;-1.15,-.55,;-.12,.6,;1.41,.43,;2.35,-.79,;3.57,.14,;2.64,1.37,;5.1,-.07,;6.04,1.15,;7.57,.94,;8.15,-.48,;9.68,-.69,;10.26,-2.12,;9.32,-3.34,;7.79,-3.13,;7.21,-1.7,;5.68,-1.49,;-.89,1.93,;-.26,3.34,;-2.39,1.61,;-6.55,-.69,;-6.55,-2.23,;-7.89,.08,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4cccc(Cl)c4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-8.96,-2.41,;-8.48,-.95,;-9.39,.3,;-8.48,1.54,;-7.02,1.07,;-5.68,1.84,;-4.35,1.07,;-4.35,-.47,;-3.02,-1.24,;-1.68,-.47,;-.28,-1.1,;.75,.04,;2.29,-.12,;3.52,.81,;4.44,-.42,;3.21,-1.35,;5.97,-.63,;6.55,-2.06,;8.07,-2.27,;9.02,-1.06,;8.44,.37,;9.39,1.58,;6.92,.58,;-.02,1.38,;.61,2.78,;-1.52,1.06,;-5.68,-1.24,;-5.68,-2.78,;-7.02,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccccc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-8.78,-2.41,;-8.3,-.95,;-9.2,.3,;-8.3,1.54,;-6.83,1.07,;-5.5,1.84,;-4.17,1.07,;-4.17,-.47,;-2.83,-1.24,;-1.5,-.47,;-.09,-1.1,;.94,.04,;2.47,-.12,;3.4,-1.34,;4.63,-.41,;3.7,.81,;6.15,-.62,;6.74,-2.05,;8.26,-2.25,;9.2,-1.04,;8.62,.39,;7.1,.6,;.17,1.38,;.79,2.78,;-1.34,1.06,;-5.5,-1.24,;-5.5,-2.78,;-6.83,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wD:12.11,14.14,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.6,-1.24,;-2.26,-.47,;-.86,-1.1,;.17,.04,;1.71,-.12,;2.64,-1.34,;3.86,-.41,;4.64,.92,;2.93,.81,;5.39,-.62,;5.97,-2.05,;7.5,-2.25,;8.44,-1.04,;9.97,-1.25,;7.86,.39,;6.33,.6,;-.6,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r,wD:12.11,14.14,(-9.54,-2.26,;-9.06,-.79,;-9.97,.45,;-9.06,1.7,;-7.6,1.22,;-6.26,1.99,;-4.93,1.22,;-4.93,-.32,;-3.59,-1.09,;-2.26,-.32,;-.85,-.94,;.18,.2,;1.71,.04,;2.64,-1.19,;3.86,-.26,;4.65,1.07,;2.94,.97,;5.39,-.47,;5.97,-1.9,;7.49,-2.11,;8.44,-.9,;9.97,-1.11,;7.86,.53,;6.34,.74,;-.59,1.54,;.5,2.63,;-2.1,1.22,;-6.26,-1.09,;-6.26,-2.63,;-7.6,-.32,)|
Cn1cnc2ncn(Cc3noc(CCc4ccc(Cl)cc4)n3)c(=O)c12
Cn1cnc2nnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1cnc2nnn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Cn1cncc1C(=O)NCc1nc(no1)[C@H]1CO[C@@H](C1)c1ccc(Cl)cc1 |r|
Cn1nc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Cn1nc(Nc2ccc(Cl)nc2)c2ccc(cc12)C(F)(F)F
Cn1nc(cc1-c1cc(F)cc(CNC(=O)[C@@H]2C3CC(C3)N2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F |r,wU:16.16,(8.28,2.16,;7.95,.65,;8.99,-.5,;8.22,-1.83,;6.71,-1.51,;6.55,.02,;5.21,.79,;5.21,2.33,;3.88,3.1,;3.88,4.64,;2.55,2.33,;2.55,.79,;1.21,.02,;-.12,.79,;-1.45,.02,;-1.45,-1.52,;-2.79,.79,;-2.95,2.32,;-4.45,2.64,;-5.22,1.31,;-3.69,1.18,;-4.19,.17,;-4.51,-1.34,;-4.12,-2.83,;-2.97,-1.34,;-5.98,-1.82,;-7.12,-.79,;-8.59,-1.26,;-8.91,-2.77,;-10.37,-3.24,;-7.76,-3.8,;-6.3,-3.32,;3.88,.02,;8.84,-3.24,;7.94,-4.48,;10.37,-3.4,;9.47,-4.64,)|
Cn1nc(cc1-c1ccc(F)c(CNC(=O)[C@@H]2C3CC(C3)N2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F |r,wU:16.16,(8.28,2.93,;7.95,1.42,;8.99,.27,;8.22,-1.06,;6.71,-.74,;6.55,.79,;5.21,1.56,;5.21,3.1,;3.88,3.87,;2.55,3.1,;1.21,3.87,;2.55,1.56,;1.21,.79,;-.12,1.56,;-1.45,.79,;-1.45,-.75,;-2.79,1.56,;-2.95,3.09,;-4.45,3.41,;-5.22,2.08,;-3.69,1.95,;-4.19,.94,;-4.51,-.57,;-4.12,-2.06,;-2.97,-.57,;-5.98,-1.05,;-7.12,-.02,;-8.59,-.49,;-8.91,-2,;-10.37,-2.47,;-7.76,-3.03,;-6.3,-2.55,;3.88,.79,;8.84,-2.47,;7.94,-3.71,;10.37,-2.63,;9.47,-3.87,)|
Cn1nc(cc1-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1)C(F)(F)F
Cn1nc(cc1-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1)C(F)(F)F
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(F)c1
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1)C(F)(F)F
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(cc1)C(F)(F)F
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(F)c(c2F)C(F)(F)F)n1COP(O)(O)=O
Cn1ncc2cc(ccc12)-c1ccccc1C(F)(F)F
Cn1ncc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12
Cn1ncc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1ncc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cn1nnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1nnc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1nnc2cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1nnc2nc(N)n(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CC[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cc(Cl)ccn3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c(=O)c12 |r|
Cn1nnc2ncn(Cc3nc(no3)[C@H]3C[C@@](F)(C3)c3ccc(Cl)cc3)c(=O)c12 |r,wD:14.14,16.17,(-9.55,-1.94,;-9.08,-.48,;-9.98,.77,;-9.08,2.02,;-7.61,1.54,;-6.28,2.31,;-4.95,1.54,;-4.95,,;-3.61,-.77,;-2.28,,;-.87,-.63,;.16,.52,;-.61,1.85,;-2.12,1.53,;1.69,.36,;2.66,-.84,;3.86,.13,;4.63,1.46,;2.89,1.33,;5.39,-.03,;6.01,-1.44,;7.55,-1.6,;8.45,-.35,;9.98,-.51,;7.82,1.05,;6.29,1.21,;-6.28,-.77,;-6.28,-2.31,;-7.61,,)|
Cn1nnc2ncn(Cc3nc(no3)[C@H]3[C@@H]4CC(=C[C@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Cn1nnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.32,-2.41,;-8.85,-.95,;-9.75,.3,;-8.85,1.54,;-7.38,1.07,;-6.05,1.84,;-4.72,1.07,;-4.72,-.47,;-3.38,-1.24,;-2.05,-.47,;-.64,-1.1,;.39,.04,;1.92,-.12,;3.45,-.31,;3.64,1.21,;2.12,1.41,;5.17,1.02,;5.76,-.4,;7.29,-.6,;8.23,.62,;9.75,.43,;7.63,2.05,;6.11,2.24,;-.38,1.38,;.24,2.78,;-1.89,1.06,;-6.05,-1.24,;-6.05,-2.78,;-7.38,-.47,)|
Cn1nnc2ncn(Cc3nnn(CCc4ccc(Cl)cc4)n3)c(=O)c12
Cn1nncc1C(=O)NCc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
FC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1
FC(F)(F)C1CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccccc1
FC(F)(F)COCc1ccc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)(F)COc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
FC(F)(F)Oc1ccc(cc1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1
FC(F)(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)ncn1 |r|
FC(F)(F)Oc1ccc(cc1)-c1ccnc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(cc1)C#N
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(nc1)C#N
FC(F)(F)Oc1ccc2c(n[nH]c2c1)-c1ccc(s1)C#N
FC(F)(F)Oc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)Oc1ccccc1-c1ccc2[nH]ncc2c1
FC(F)(F)Oc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
FC(F)(F)c1cc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)ccn1
FC(F)(F)c1cc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cnccc4o3)c2)ccn1 |r|
FC(F)(F)c1cc(NCCc2ccccc2)cc(NC(=O)c2cccs2)c1
FC(F)(F)c1cc(NCc2ccccc2)cc(NC(=O)c2cccs2)c1
FC(F)(F)c1cc(NCc2cccs2)cc(NC(=O)c2cccs2)c1
FC(F)(F)c1cc(Oc2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)cc2)ccn1 |r|
FC(F)(F)c1cc([nH]n1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)(F)c1ccc(CCc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(CNc2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)ccn2)cc1 |r|
FC(F)(F)c1ccc(COc2cccc(CNC(=O)C3C=CCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |c:20|
FC(F)(F)c1ccc(COc2cccc(CNC(=O)C3CC(F)(F)CN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1
FC(F)(F)c1ccc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1
FC(F)(F)c1ccc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cn1
FC(F)(F)c1ccc(COc2cccc(CNC(=O)C3CCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1
FC(F)(F)c1ccc(COc2cccc(CNC(=O)[C@@H]3CC=CCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r,c:21|
FC(F)(F)c1ccc(COc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)nc1 |r|
FC(F)(F)c1ccc(CS(=O)(=O)c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(CS(=O)c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(CSc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(Cl)c(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(Cl)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)c1 |r|
FC(F)(F)c1ccc(NC(=O)N2CCc3c(C2)[nH]c2ccccc32)cc1
FC(F)(F)c1ccc(NCc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)nc1 |r|
FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
FC(F)(F)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
FC(F)(F)c1ccc(OC(=O)N2CCN(Cc3ccccn3)CC2)cc1
FC(F)(F)c1ccc(OCc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(Oc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cn1
FC(F)(F)c1ccc(Oc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(Oc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cnccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(SCc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(Sc2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(\C=C\c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)cc1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)nc(OCc2ccccc2)n1
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)C2CCN2S(=O)(=O)c2cc3ccccc3o2)ncn1
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cnn1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)nc(n1)N1CCC1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)nc(n1)N1CCCC1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)nc(n1)N1CCOCC1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccncc3o2)ncn1
FC(F)(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)ncn1 |r|
FC(F)(F)c1ccc(cc1)-c1cc(ccn1)C1(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
FC(F)(F)c1ccc(cc1)-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
FC(F)(F)c1ccc(cc1)-c1cnnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(cc1)-n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c(=O)n(C2CCOCC2)c1=O |r|
FC(F)(F)c1ccc(cc1)-n1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccc1=O |r|
FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(cc1)S(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(cc1)S(=O)Cc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(cc1)S(=O)c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(cn1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1
FC(F)(F)c1ccc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cnn1 |r|
FC(F)(F)c1ccc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)c1ccc(cn1)-c1cc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)c1ccc(cn1)-c1cc(Cl)cc(c1)C1(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
FC(F)(F)c1ccc(cn1)-c1cc(ccn1)C1(CC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
FC(F)(F)c1ccc(cn1)-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(cn1)-c1ccnc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(cn1)-c1cncc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(cn1)-c1cnnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(nc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)(F)c1ccc(nc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)c1ccc(nc1)-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(nc1)-c1ccnc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2)c1 |r|
FC(F)(F)c1ccc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3c(Cl)nccc3o2)c1 |r|
FC(F)(F)c1ccc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)c1 |r|
FC(F)(F)c1ccc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(nc1)-c1cncc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1
FC(F)(F)c1ccc(nc1)-c1cnnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(nn1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc(nn1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ccc2c(Nc3ccc(Cl)cc3)n[nH]c2c1
FC(F)(F)c1ccc2c(Nc3ccc(Cl)nc3)n[nH]c2c1
FC(F)(F)c1ccc2c(Nc3ccc(nc3)C(F)(F)F)n[nH]c2c1
FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1cccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)c1
FC(F)(F)c1cccc(OC(=O)N2CCN(CC2)c2ncccc2Cl)c1
FC(F)(F)c1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4ccccc4o3)cc2)c1 |r|
FC(F)(F)c1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc4cnccc4o3)cc2)c1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
FC(F)(F)c1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C#N
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C1CC1
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
FC(F)(F)c1ccccc1-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)Oc1ccc(Cl)cc1
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)Oc1cccc(Cl)c1
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)Oc1cccc(c1)-c1ccccc1
FC(F)(F)c1cnc(cn1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1cnc(cn1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1cnc(nc1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1cnc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1cnc(nc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)c1 |r|
FC(F)(F)c1cncc(COc2cccc(CNC(=O)C3CCCN3S(=O)(=O)c3cc4ccccc4o3)c2)c1
FC(F)(F)c1ncc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)(F)c1ncc(cn1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)c1ncc(cn1)-c1cc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3ccccc3o2)ncn1 |r|
FC(F)(F)c1ncc(cn1)-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)(F)c1ncc(cn1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)C12CCC(CC1)(CC2)c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncn1 |r|
FC(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
FC(F)Oc1ccc(cc1)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1
FC(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(Cl)n1 |r|
FC(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ccn1 |r|
FC(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncc1F |r|
FC(F)Oc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncn1 |r|
FC(F)Oc1ccc(cc1)[C@@H](F)Cn1nc(Cn2cnc3ncccc3c2=O)oc1=O |r|
FC(F)Oc1ccc(cn1)-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1 |r|
FC(F)[C@]1(CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
FC(F)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
FC(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
FC(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncc1F |r|
FC(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncn1 |r|
FC(F)c1ccc(cc1)-c1cc(CNC(=O)[C@@H]2[C@@H](F)CCN2S(=O)(=O)c2ccc(F)cc2)ncn1 |r|
FC(F)c1ccc(cc1)-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
FC(F)c1ccc(cc1F)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ncn1 |r|
FC(F)c1ccc(cn1)-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)cc(Cl)n1 |r|
FC(F)c1ccc(cn1)-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1 |r|
FC(F)c1ccc(nc1)-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1 |r|
FC(F)c1ccccc1-c1ccc2[nH]ncc2c1
FC(F)c1cnc(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)c(F)c1)-c1cnc(nc1)C(F)(F)F |r,wU:13.13,(-1.03,2.08,;.31,2.85,;.31,4.39,;1.64,2.08,;2.98,2.85,;4.31,2.08,;4.31,.54,;2.98,-.23,;1.64,.54,;.31,-.23,;-1.03,.54,;-2.36,-.23,;-2.36,-1.77,;-3.69,.54,;-3.96,2.06,;-5.48,2.27,;-6.16,.89,;-4.62,.89,;-5.05,-.18,;-5.27,-1.71,;-4.69,-3.14,;-3.74,-1.92,;-6.69,-2.29,;-6.91,-3.81,;-8.34,-4.39,;-9.55,-3.44,;-10.98,-4.02,;-9.34,-1.92,;-10.55,-.97,;-7.91,-1.34,;5.64,-.23,;5.64,-1.77,;6.98,-2.54,;8.31,-1.77,;8.31,-.23,;6.98,.54,;9.64,-2.54,;10.98,-1.77,;9.64,-4.08,;10.98,-3.31,)|
FC(F)c1cnc(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r,wU:13.13,(-1.03,2.08,;.31,2.85,;.31,4.39,;1.64,2.08,;2.98,2.85,;4.31,2.08,;4.31,.54,;2.98,-.23,;1.64,.54,;.31,-.23,;-1.03,.54,;-2.36,-.23,;-2.36,-1.77,;-3.69,.54,;-3.96,2.06,;-5.48,2.27,;-6.16,.89,;-4.62,.89,;-5.05,-.18,;-5.27,-1.71,;-4.69,-3.14,;-3.74,-1.92,;-6.69,-2.29,;-7.91,-1.34,;-9.34,-1.92,;-9.55,-3.44,;-10.98,-4.02,;-8.34,-4.39,;-6.91,-3.81,;5.64,-.23,;5.64,-1.77,;6.98,-2.54,;8.31,-1.77,;8.31,-.23,;6.98,.54,;9.64,-2.54,;10.98,-1.77,;9.64,-4.08,;10.98,-3.31,)|
FC(F)c1cnc(cn1)-c1cc(F)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)c1 |r|
FC(F)c1nn(cc1CC(=O)N[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
FC(F)c1nn(cc1CNC(=O)C1CCC1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F
FC(F)c1nn(cc1CNC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(cc1)C(F)(F)F |r|
FC(F)c1nn(cc1CNC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1ccc(nc1)C(F)(F)F |r|
FC(F)c1nn(cc1CNC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F |r|
FC1CC2CC1C(N2S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F
FC1CC2CC1C(N2S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
FCC(NS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F
FC[C@]1(F)C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H](Cn1nc(Cn2cnc3ncccc3c2=O)oc1=O)c1ccc(Cl)cc1 |r|
F[C@@H]1CCN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)s1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)c(F)c1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)c(F)c1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(-c2ccc(cc2)C(F)(F)F)c(cn1)C#N |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(-c2ccc(nc2)C(F)(F)F)c(cn1)C#N |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(Cl)nc(c1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(Cl)nc(c1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1ccc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1ccc(nn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1cnc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1cnc(s1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1csc(n1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-c1nc(cs1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-n1cc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-n1ccc(cc1=O)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)-n1ccc(n1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)cc(c1)C1CCC(CN1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(F)nc(c1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2C3CCC2CC(C3)C(F)(F)F)c(F)cn1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2CCC(CC2)C(F)(F)F)c(F)cn1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2CCC(CC2)C(F)(F)F)c(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2CCC(F)(F)CC2)c(F)cn1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2CCC3(CC3(F)F)CC2)c(F)cn1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(N2CCC3(CC3)CC2)c(F)cn1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(Cl)cn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(Cl)cn1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(c(F)c1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)[N]1=CC=C(OC(F)(F)F)C=C1 |r,wU:3.17,wD:1.0,c:39,t:30,32,(-6.33,3.5,;-5.56,2.16,;-4.1,1.69,;-4.1,.15,;-5.56,-.33,;-6.47,.92,;-5.96,-1.82,;-4.47,-2.21,;-6.36,-3.3,;-7.45,-1.42,;-8.54,-2.51,;-10.02,-2.11,;-10.42,-.62,;-11.91,-.22,;-9.33,.47,;-7.84,.07,;-2.76,-.62,;-2.76,-2.16,;-1.43,.15,;-.09,-.62,;1.24,.15,;2.57,-.62,;3.91,.15,;3.91,1.69,;5.24,2.46,;2.57,2.46,;1.24,1.69,;5.24,-.62,;6.57,.15,;7.91,-.62,;7.91,-2.16,;9.24,-2.93,;10.58,-2.16,;11.91,-1.39,;9.81,-.83,;11.35,-3.5,;6.57,-2.93,;5.24,-2.16,)|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(cc(F)n1)-c1ccc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(cc(F)n1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(cc(c1)-c1ccc(nc1)C(F)(F)F)C#N |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1C#N)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1Cl)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1ccc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1ccc(nn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1cnc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccn1)-c1cnc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ccn1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(cnc1F)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(nc(c1)-c1ccc(nc1)C(F)(F)F)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(nc(c1)-c1cnc(nc1)C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C#N)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C#N)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C#N)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1F)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)c(F)c1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(SC(F)(F)F)cc1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(c(F)c1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C1CC1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(cc1F)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C1CC1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc2OC(F)(F)Oc2c1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)C1=CCC(CC1)C(F)(F)F |r,t:29|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)N1CCC(CC1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)[C@H]1CC[C@@H](CC1)C(F)(F)F |r,wU:29.35,3.17,wD:26.28,1.0,(-5.84,3.94,;-5.21,2.53,;-3.7,2.21,;-3.54,.68,;-4.95,.05,;-5.98,1.2,;-5.27,-1.45,;-3.94,-2.22,;-5.27,-2.99,;-6.73,-1.93,;-7.88,-.9,;-9.34,-1.37,;-9.66,-2.88,;-11.13,-3.36,;-8.52,-3.91,;-7.05,-3.43,;-2.21,-.09,;-2.21,-1.63,;-.88,.68,;.46,-.09,;1.79,.68,;3.13,-.09,;4.46,.68,;4.46,2.22,;3.13,2.99,;1.79,2.22,;5.79,-.09,;5.79,-1.63,;7.13,-2.4,;8.46,-1.63,;8.46,-.09,;7.13,.68,;9.79,-2.4,;11.13,-1.63,;11.13,-3.17,;9.79,-3.94,)|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)[C@H]1CC[C@@H](CC1)C(F)(F)F |r,wU:3.17,29.35,wD:26.28,1.0,(-5.48,3.88,;-4.71,2.55,;-3.24,2.07,;-3.24,.53,;-4.71,.06,;-5.61,1.3,;-5.48,-1.28,;-5.48,-2.82,;-4.14,-2.05,;-6.97,-1.68,;-8.05,-.59,;-9.54,-.99,;-9.94,-2.47,;-11.43,-2.87,;-8.85,-3.56,;-7.36,-3.16,;-1.91,-.24,;-1.91,-1.78,;-.58,.53,;.76,-.24,;2.09,.53,;3.43,-.24,;4.76,.53,;4.76,2.07,;3.43,2.84,;2.09,2.07,;6.09,-.24,;6.09,-1.78,;7.43,-2.55,;8.76,-1.78,;8.76,-.24,;7.43,.53,;10.09,-2.55,;11.43,-3.32,;10.86,-1.21,;9.32,-3.88,)|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)[C@H]1CC[C@H](CC1)C(F)(F)F |r,wU:3.17,wD:29.35,26.28,1.0,(-5.84,3.94,;-5.21,2.53,;-3.7,2.21,;-3.54,.68,;-4.95,.05,;-5.98,1.2,;-5.27,-1.45,;-3.94,-2.22,;-5.27,-2.99,;-6.73,-1.93,;-7.88,-.9,;-9.34,-1.37,;-9.66,-2.88,;-11.13,-3.36,;-8.52,-3.91,;-7.05,-3.43,;-2.21,-.09,;-2.21,-1.63,;-.88,.68,;.46,-.09,;1.79,.68,;3.13,-.09,;4.46,.68,;4.46,2.22,;3.13,2.99,;1.79,2.22,;5.79,-.09,;5.79,-1.63,;7.13,-2.4,;8.46,-1.63,;8.46,-.09,;7.13,.68,;9.79,-2.4,;11.13,-1.63,;11.13,-3.17,;9.79,-3.94,)|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccnc(c1)-c1ccc(OC(F)(F)F)cc1 |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccnc(c1)-c1cnc(cn1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1C#N)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1C1CC1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cn(nc1Cl)-c1ccc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cncc(c1)-c1cnc(nc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ncc(F)c(-c2ccc(nc2)C(F)(F)F)c1F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(cc1)C#N)C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cccc(F)c1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cncc(F)c1)C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
F[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cncc(F)c1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
F[C@@]1(C[C@@H](C1)c1noc(Cn2ccn3c(cccc3=O)c2=O)n1)c1ccc(Cl)cc1 |r,wU:3.5,1.0,(4.78,.69,;4.01,-.64,;3.04,.56,;1.84,-.41,;2.81,-1.61,;.31,-.25,;-.46,1.08,;-1.97,.76,;-2.13,-.77,;-3.46,-1.54,;-4.8,-.77,;-4.8,.77,;-6.13,1.54,;-7.46,.77,;-7.46,-.77,;-8.8,-1.54,;-10.13,-.77,;-10.13,.77,;-8.8,1.54,;-8.8,3.08,;-6.13,-1.54,;-6.13,-3.08,;-.72,-1.4,;5.54,-.8,;6.16,-2.21,;7.69,-2.37,;8.6,-1.12,;10.13,-1.28,;7.97,.28,;6.44,.44,)|
F[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3cnccc3c2=O)n1)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.78,1.46,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,)|
F[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3nccc(Cl)c3c2=O)n1)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.78,1.46,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-8.8,-2.31,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,)|
F[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.78,1.46,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,)|
F[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1)c1cccc(Cl)c1 |r,wD:3.5,1.0,(5.4,1.46,;4.63,.13,;3.43,-.84,;2.47,.36,;3.66,1.33,;.93,.52,;.16,1.85,;-1.34,1.53,;-1.5,,;-2.84,-.77,;-4.17,,;-4.17,1.54,;-5.5,2.31,;-6.84,1.54,;-8.17,2.31,;-9.51,1.54,;-9.51,,;-8.17,-.77,;-6.84,,;-5.5,-.77,;-5.5,-2.31,;-.1,-.63,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,)|
F[C@@]1(C[C@@H](C1)c1noc(Cn2ncc3ncccc3c2=O)n1)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.78,1.46,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,)|
F[C@@]1(C[C@@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.79,.91,;4.01,-.42,;2.78,-1.35,;1.86,-.12,;3.09,.81,;.33,.04,;-.71,-1.1,;-2.11,-.47,;-3.45,-1.24,;-4.78,-.47,;-4.78,1.07,;-6.11,1.84,;-7.45,1.07,;-8.78,1.84,;-10.11,1.07,;-10.11,-.47,;-8.78,-1.24,;-7.45,-.47,;-6.11,-1.24,;-6.11,-2.78,;-1.95,1.06,;-.44,1.38,;.18,2.78,;5.54,-.63,;6.12,-2.06,;7.64,-2.27,;8.59,-1.06,;10.11,-1.27,;8.01,.37,;6.49,.58,)|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(F)cc(c1)-c1cnc(cn1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(c(F)cn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ccc1C#N)-c1cnc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ccn1)-c1cnc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ncc1C#N)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1ccc(F)c(c1)-c1cnc(cn1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1CCN([C@@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
F[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1c(ccc2[nH]ncc12)-c1ccccc1C(F)(F)F
Fc1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(OCc2ccc(cc2)C#N)c1
Fc1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(OCc2ccncc2)c1
Fc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(OCc2ccccc2)c1 |r|
Fc1cc(F)c(Oc2ncnc3[nH]ccc23)c(F)c1
Fc1cc(ccc1C#N)-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1
Fc1cc(ccn1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Fc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Fc1ccc(-c2ccc3[nH]ncc3c2)c(c1)C(F)(F)F
Fc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc(Cc2ncnc3[nH]ccc23)cc1
Fc1ccc(Nc2n[nH]c3c(OC(F)(F)F)cccc23)cc1F
Fc1ccc(Nc2n[nH]c3cc(Cl)ccc23)cc1F
Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)ccc23)cc1F
Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)cc1F
Fc1ccc(Nc2n[nH]c3cc(OC(F)(F)F)cnc23)nc1
Fc1ccc(Nc2n[nH]c3cc(ccc23)-c2ccc(F)c(F)c2)cc1F
Fc1ccc(Nc2n[nH]c3cc(ccc23)C(F)(F)F)cc1F
Fc1ccc(Nc2n[nH]c3cc(cnc23)C(F)(F)F)cc1F
Fc1ccc(Nc2n[nH]c3cc(ncc23)C(F)(F)F)cc1F
Fc1ccc(Nc2ncnc3[nH]ccc23)cc1
Fc1ccc(Oc2cccc3[nH]ccc23)c(F)c1
Fc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Fc1ccc(Oc2ccncn2)c(F)c1
Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Fc1ccc(Oc2nccc3ccccc23)c(F)c1
Fc1ccc(Oc2nccc3ccoc23)c(F)c1
Fc1ccc(Oc2nccc3occc23)c(F)c1
Fc1ccc(Oc2ncnc3[nH]cc(Cl)c23)c(F)c1
Fc1ccc(Oc2ncnc3[nH]cc(I)c23)c(F)c1
Fc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1
Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Fc1ccc(Oc2ncnc3[nH]ccc23)cc1F
Fc1ccc(Oc2ncnc3cc[nH]c23)c(F)c1
Fc1ccc(Oc2ncnc3ccccc23)c(F)c1
Fc1ccc(Oc2ncnc3ccoc23)c(F)c1
Fc1ccc(Oc2ncnc3occc23)c(F)c1
Fc1ccc(c(c1)-c1ccc2[nH]ncc2c1)C(F)(F)F
Fc1ccc(cc1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Fc1ccc(cc1)-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
Fc1ccc(cc1)-c1cccc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1
Fc1ccc(cc1)-c1n[nH]c2cc(NC3CCN(CC4CC4)CC3)cnc12
Fc1ccc(cc1)-c1n[nH]c2cc(OC(F)(F)F)cnc12
Fc1ccc(cc1)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)C1CCC1C(=O)NCc1cn(nc1C(F)(F)F)-c1ccc(nc1)C(F)(F)F
Fc1ccc(cc1)S(=O)(=O)C1CCC1C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F
Fc1ccc(cc1)S(=O)(=O)C1CCCC1C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F
Fc1ccc(cc1)S(=O)(=O)C1CCC[C@H]1C(=O)NCc1cn(nc1C(F)(F)F)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(Cl)nc(c1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-4.02,;-9.55,-3.44,;-9.34,-1.92,;-7.91,-1.34,;-6.69,-2.29,;-6.91,-3.81,;-8.34,-4.39,;-5.27,-1.71,;-4.69,-3.14,;-3.74,-1.92,;-5.05,-.18,;-6.16,.89,;-5.48,2.27,;-3.96,2.06,;-4.62,.89,;-3.69,.54,;-2.36,-.23,;-2.36,-1.77,;-1.03,.54,;.31,-.23,;1.64,.54,;1.64,2.08,;2.98,2.85,;2.98,4.39,;4.31,2.08,;4.31,.54,;2.98,-.23,;5.64,-.23,;5.64,-1.77,;6.98,-2.54,;8.31,-1.77,;8.31,-.23,;6.98,.54,;9.64,-2.54,;10.98,-1.77,;9.64,-4.08,;10.98,-3.31,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(F)cc(c1)-c1ccc(nc1)C(F)(F)F |r,wU:15.18,(-11.13,-3.65,;-9.66,-3.18,;-9.34,-1.67,;-7.88,-1.19,;-6.73,-2.22,;-7.05,-3.73,;-8.52,-4.21,;-5.27,-1.75,;-4.87,-3.24,;-3.73,-1.75,;-4.95,-.24,;-5.98,.9,;-5.21,2.24,;-3.7,1.92,;-4.45,.77,;-3.54,.38,;-2.21,-.38,;-2.21,-1.93,;-.88,.38,;.46,-.38,;1.79,.38,;1.79,1.93,;3.13,2.69,;3.13,4.23,;4.46,1.93,;4.46,.38,;3.13,-.38,;5.79,-.38,;7.13,.38,;8.46,-.38,;8.46,-1.93,;7.13,-2.69,;5.79,-1.93,;9.79,-2.69,;11.13,-1.93,;9.79,-4.23,;11.13,-3.47,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-11.13,-3.65,;-9.66,-3.18,;-9.34,-1.67,;-7.88,-1.19,;-6.73,-2.22,;-7.05,-3.73,;-8.52,-4.21,;-5.27,-1.75,;-4.87,-3.24,;-3.73,-1.75,;-4.95,-.24,;-5.98,.9,;-5.21,2.24,;-3.7,1.92,;-4.45,.77,;-3.54,.38,;-2.21,-.38,;-2.21,-1.93,;-.88,.38,;.46,-.38,;1.79,.38,;1.79,1.93,;3.13,2.69,;3.13,4.23,;4.46,1.93,;4.46,.38,;3.13,-.38,;5.79,-.38,;5.79,-1.93,;7.13,-2.69,;8.46,-1.93,;8.46,-.38,;7.13,.38,;9.79,-2.69,;11.13,-1.93,;9.79,-4.23,;11.13,-3.47,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(Cl)cn1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;5.64,3.62,;2.98,3.62,;1.64,2.85,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;5.64,3.62,;2.98,3.62,;1.64,2.85,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(cc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.63,-5.35,;-9.29,-4.58,;-9.29,-3.04,;-7.96,-2.27,;-6.62,-3.04,;-6.62,-4.58,;-7.96,-5.35,;-5.29,-2.27,;-4.52,-3.61,;-3.75,-2.27,;-5.29,-.73,;-6.54,.17,;-6.06,1.64,;-4.52,1.64,;-5,.17,;-4.04,.17,;-2.71,-.6,;-2.71,-2.14,;-1.38,.17,;-.04,-.6,;1.29,.17,;2.62,-.6,;3.96,.17,;3.96,1.71,;2.62,2.48,;1.29,1.71,;2.62,4.02,;3.39,5.35,;1.85,5.35,;5.29,-.6,;5.29,-2.14,;6.62,-2.91,;7.96,-2.14,;7.96,-.6,;6.62,.17,;9.29,-2.91,;10.06,-1.58,;8.52,-4.24,;10.63,-3.68,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1C#N)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.63,;-9.55,-3.06,;-9.34,-1.53,;-7.91,-.95,;-6.69,-1.9,;-6.91,-3.43,;-8.34,-4,;-5.27,-1.32,;-4.69,-2.75,;-3.74,-1.54,;-5.05,.2,;-6.16,1.27,;-5.48,2.65,;-3.96,2.44,;-4.62,1.27,;-3.69,.92,;-2.36,.15,;-2.36,-1.39,;-1.03,.92,;.31,.15,;1.64,.92,;2.98,.15,;4.31,.92,;4.31,2.46,;2.98,3.23,;1.64,2.46,;.31,3.23,;-1.03,4,;5.64,.15,;5.64,-1.39,;6.98,-2.16,;8.31,-1.39,;8.31,.15,;6.98,.92,;9.64,-2.16,;10.98,-1.39,;9.64,-3.7,;10.98,-2.93,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1F)-c1ccc(nc1)C(F)(F)F |r,wU:15.18,(-11.13,-2.88,;-9.66,-2.41,;-9.34,-.9,;-7.88,-.42,;-6.73,-1.45,;-7.05,-2.96,;-8.52,-3.44,;-5.27,-.98,;-4.87,-2.47,;-3.73,-.98,;-4.95,.53,;-5.98,1.67,;-5.21,3.01,;-3.7,2.69,;-4.45,1.54,;-3.54,1.15,;-2.21,.38,;-2.21,-1.16,;-.88,1.15,;.46,.38,;1.79,1.15,;3.13,.38,;4.46,1.15,;4.46,2.69,;3.13,3.46,;1.79,2.69,;.46,3.47,;5.79,.38,;7.13,1.15,;8.46,.38,;8.46,-1.16,;7.13,-1.93,;5.79,-1.16,;9.79,-1.93,;11.13,-1.16,;9.79,-3.47,;11.13,-2.7,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-11.13,-2.88,;-9.66,-2.41,;-9.34,-.9,;-7.88,-.42,;-6.73,-1.45,;-7.05,-2.96,;-8.52,-3.44,;-5.27,-.98,;-4.87,-2.47,;-3.73,-.98,;-4.95,.53,;-5.98,1.67,;-5.21,3.01,;-3.7,2.69,;-4.45,1.54,;-3.54,1.15,;-2.21,.38,;-2.21,-1.16,;-.88,1.15,;.46,.38,;1.79,1.15,;3.13,.38,;4.46,1.15,;4.46,2.69,;3.13,3.46,;1.79,2.69,;.46,3.47,;5.79,.38,;5.79,-1.16,;7.13,-1.93,;8.46,-1.16,;8.46,.38,;7.13,1.15,;9.79,-1.93,;11.13,-1.16,;9.79,-3.47,;11.13,-2.7,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(cnc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-4.02,;-9.55,-3.44,;-9.34,-1.92,;-7.91,-1.34,;-6.69,-2.29,;-6.91,-3.81,;-8.34,-4.39,;-5.27,-1.71,;-4.69,-3.14,;-3.74,-1.92,;-5.05,-.18,;-6.16,.89,;-5.48,2.27,;-3.96,2.06,;-4.62,.89,;-3.69,.54,;-2.36,-.23,;-2.36,-1.77,;-1.03,.54,;.31,-.23,;1.64,.54,;2.98,-.23,;4.31,.54,;4.31,2.08,;2.98,2.85,;1.64,2.08,;.31,2.85,;-1.03,2.08,;.31,4.39,;-1.03,3.62,;5.64,-.23,;5.64,-1.77,;6.98,-2.54,;8.31,-1.77,;8.31,-.23,;6.98,.54,;9.64,-2.54,;10.98,-1.77,;9.64,-4.08,;10.98,-3.31,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(OCC(F)(F)F)n1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.63,-6.61,;-9.29,-5.84,;-9.29,-4.3,;-7.96,-3.53,;-6.62,-4.3,;-6.62,-5.84,;-7.96,-6.61,;-5.29,-3.53,;-4.52,-4.87,;-3.75,-3.53,;-5.29,-1.99,;-6.54,-1.09,;-6.06,.38,;-4.52,.38,;-5,-1.09,;-4.04,-1.09,;-2.71,-1.86,;-2.71,-3.4,;-1.38,-1.09,;-.04,-1.86,;1.29,-1.09,;2.62,-1.86,;3.96,-1.09,;3.96,.45,;2.62,1.22,;2.62,2.76,;1.29,3.53,;1.29,5.07,;1.29,6.61,;2.83,5.07,;-.25,5.07,;1.29,.45,;5.29,-1.86,;5.29,-3.4,;6.62,-4.17,;7.96,-3.4,;7.96,-1.86,;6.62,-1.09,;9.29,-4.17,;10.06,-2.83,;8.52,-5.5,;10.63,-4.94,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(c1)-c1cnc(nc1)C(F)(F)F)C1CC1 |r,wU:15.18,(-10.63,-5.35,;-9.29,-4.58,;-9.29,-3.04,;-7.96,-2.27,;-6.62,-3.04,;-6.62,-4.58,;-7.96,-5.35,;-5.29,-2.27,;-4.52,-3.61,;-3.75,-2.27,;-5.29,-.73,;-6.54,.17,;-6.06,1.64,;-4.52,1.64,;-5,.17,;-4.04,.17,;-2.71,-.6,;-2.71,-2.14,;-1.38,.17,;-.04,-.6,;1.29,.17,;1.29,1.71,;2.62,2.48,;3.96,1.71,;3.96,.17,;2.62,-.6,;5.29,-.6,;5.29,-2.14,;6.62,-2.91,;7.96,-2.14,;7.96,-.6,;6.62,.17,;9.29,-2.91,;10.06,-1.58,;8.52,-4.24,;10.63,-3.68,;2.62,4.02,;3.39,5.35,;1.85,5.35,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(n1)C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.63,-5.46,;-9.29,-4.69,;-9.29,-3.15,;-7.96,-2.38,;-6.62,-3.15,;-6.62,-4.69,;-7.96,-5.46,;-5.29,-2.38,;-4.52,-3.71,;-3.75,-2.38,;-5.29,-.84,;-6.54,.07,;-6.06,1.53,;-4.52,1.53,;-5,.07,;-4.04,.07,;-2.71,-.7,;-2.71,-2.24,;-1.38,.07,;-.04,-.7,;1.29,.07,;2.62,-.7,;3.96,.07,;3.96,1.61,;2.62,2.38,;1.29,1.61,;2.62,3.92,;2.62,5.46,;4.16,3.92,;1.08,3.92,;5.29,-.7,;5.29,-2.24,;6.62,-3.01,;7.96,-2.24,;7.96,-.7,;6.62,.07,;9.29,-3.01,;10.06,-1.68,;8.52,-4.35,;10.63,-3.78,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-4.68,;-9.55,-4.11,;-9.34,-2.58,;-7.91,-2.01,;-6.69,-2.95,;-6.91,-4.48,;-8.34,-5.06,;-5.27,-2.38,;-4.69,-3.8,;-3.74,-2.59,;-5.05,-.85,;-6.16,.22,;-5.48,1.6,;-3.96,1.39,;-4.62,.22,;-3.69,-.13,;-2.36,-.9,;-2.36,-2.44,;-1.03,-.13,;.31,-.9,;1.64,-.13,;2.98,-.9,;4.31,-.13,;4.31,1.41,;2.98,2.18,;1.64,1.41,;2.98,3.72,;3.75,5.06,;2.21,5.06,;5.64,-.9,;5.64,-2.44,;6.98,-3.21,;8.31,-2.44,;8.31,-.9,;6.98,-.13,;9.64,-3.21,;10.98,-2.44,;9.64,-4.75,;10.98,-3.98,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Br)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;.31,3.62,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C#N)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-11.17,-.54,;-9.64,-.78,;-8.68,.43,;-7.16,.19,;-6.6,-1.24,;-7.56,-2.45,;-9.09,-2.21,;-5.08,-1.48,;-5.33,-3,;-3.56,-1.71,;-4.86,.05,;-5.97,1.12,;-5.3,2.5,;-3.77,2.29,;-4.43,1.12,;-3.5,.77,;-2.17,,;-2.17,-1.54,;-.84,.77,;.5,,;1.83,.77,;3.16,,;4.5,.77,;4.5,2.31,;3.16,3.08,;1.83,2.31,;.5,3.08,;-.84,3.85,;5.83,,;5.83,-1.54,;7.17,-2.31,;8.5,-1.54,;8.5,,;7.17,.77,;9.83,-2.31,;11.17,-1.54,;9.83,-3.85,;11.17,-3.08,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-4.02,;-9.55,-3.44,;-9.34,-1.92,;-7.91,-1.34,;-6.69,-2.29,;-6.91,-3.81,;-8.34,-4.39,;-5.27,-1.71,;-4.69,-3.14,;-3.74,-1.92,;-5.05,-.18,;-6.16,.89,;-5.48,2.27,;-3.96,2.06,;-4.62,.89,;-3.69,.54,;-2.36,-.23,;-2.36,-1.77,;-1.03,.54,;.31,-.23,;1.64,.54,;2.98,-.23,;4.31,.54,;4.31,2.08,;2.98,2.85,;1.64,2.08,;.31,2.85,;-1.03,2.08,;.31,4.39,;-1.03,3.62,;5.64,-.23,;5.64,-1.77,;6.98,-2.54,;8.31,-1.77,;8.31,-.23,;6.98,.54,;9.64,-2.54,;10.98,-1.77,;9.64,-4.08,;10.98,-3.31,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C1CC1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-11.13,-3.55,;-9.66,-3.07,;-9.34,-1.57,;-7.88,-1.09,;-6.73,-2.12,;-7.05,-3.63,;-8.52,-4.1,;-5.27,-1.64,;-4.87,-3.13,;-3.73,-1.64,;-4.95,-.14,;-5.98,1.01,;-5.21,2.34,;-3.7,2.02,;-4.45,.87,;-3.54,.49,;-2.21,-.28,;-2.21,-1.82,;-.88,.49,;.46,-.28,;1.79,.49,;3.13,-.28,;4.46,.49,;4.46,2.03,;3.13,2.8,;1.79,2.03,;.46,2.8,;-.31,4.13,;-1.08,2.8,;5.79,-.28,;5.79,-1.82,;7.13,-2.59,;8.46,-1.82,;8.46,-.28,;7.13,.49,;9.79,-2.59,;11.13,-1.82,;9.79,-4.13,;11.13,-3.36,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;.31,3.62,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;.31,3.62,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1OC(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-4.79,;-9.55,-4.21,;-9.34,-2.69,;-7.91,-2.11,;-6.69,-3.06,;-6.91,-4.58,;-8.34,-5.16,;-5.27,-2.48,;-4.69,-3.91,;-3.74,-2.69,;-5.05,-.95,;-6.16,.12,;-5.48,1.5,;-3.96,1.29,;-4.62,.12,;-3.69,-.23,;-2.36,-1,;-2.36,-2.54,;-1.03,-.23,;.31,-1,;1.64,-.23,;2.98,-1,;4.31,-.23,;4.31,1.31,;2.98,2.08,;1.64,1.31,;.31,2.08,;.31,3.62,;1.64,4.39,;.31,5.16,;-1.03,4.39,;5.64,-1,;5.64,-2.54,;6.98,-3.31,;8.31,-2.54,;8.31,-1,;6.98,-.23,;9.64,-3.31,;10.98,-2.54,;9.64,-4.85,;10.98,-4.08,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;5.64,.54,;6.98,1.31,;8.31,.54,;8.31,-1,;6.98,-1.77,;5.64,-1,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.98,-3.25,;-9.55,-2.67,;-9.34,-1.15,;-7.91,-.57,;-6.69,-1.52,;-6.91,-3.04,;-8.34,-3.62,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;1.64,2.85,;2.98,3.62,;4.31,2.85,;4.31,1.31,;2.98,.54,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cn(nc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:15.18,(-10.99,-4.62,;-9.66,-3.85,;-9.66,-2.31,;-8.33,-1.54,;-6.99,-2.31,;-6.99,-3.85,;-8.33,-4.62,;-5.66,-1.54,;-4.89,-2.87,;-4.12,-1.54,;-5.66,0,;-6.91,.91,;-6.43,2.37,;-4.89,2.37,;-5.37,.91,;-4.41,.91,;-3.08,.14,;-3.08,-1.4,;-1.75,.91,;-.41,.14,;.92,.91,;2.33,.28,;3.36,1.43,;2.59,2.76,;1.08,2.44,;-.06,3.47,;-1.21,4.5,;.97,4.62,;-1.09,2.33,;4.89,1.27,;5.48,-.16,;7,-.36,;7.94,.86,;7.36,2.28,;5.83,2.49,;9.47,.65,;10.99,.45,;9.67,2.18,;9.26,-.87,)|
Fc1ccc(cc1)S(=O)(=O)N1CC2(CC2)C[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@]1(C#N)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r|
Fc1ccc(cc1)S(=O)(=O)N1CC[C@@H]2C[C@]12C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CC[C@@H]2C[C@]12C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cn(nc1Cl)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1cc(ccc1C#N)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1C[C@]2(CC2(F)F)C[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H]2COC[C@@H]2C[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@H]2COC[C@H]2C[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)NCc1cn(nc1C(F)(F)F)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CCC[C@H]1C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1cc(ncc1Cl)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1cc(ncn1)-c1cccc(c1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1ccc(F)c(c1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1cn(nc1C(F)(F)F)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1C(=O)NCc1cn(nc1Cl)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1NC(=O)Cc1cn(nc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1NC(=O)Cc1cn(nc1C1CC1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1NC(=O)Cc1cn(nc1Cl)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@H]1CC[C@H]1NC(=O)Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)[C@H]1CC[C@H]1NC(=O)Cc1cn(nc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc(cc1)[C@@H]1CC[C@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O |r|
Fc1ccc(cc1)[C@@]1(F)C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r,wD:10.13,7.8,(10.13,-.51,;8.6,-.35,;7.69,-1.6,;6.16,-1.44,;5.54,-.03,;6.44,1.21,;7.97,1.05,;4.01,.13,;4.78,1.46,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,)|
Fc1ccc(cc1)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(F)c(Cl)c1 |r|
Fc1ccc(cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ccn3c(cccc3=O)c2=O)n1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3nccc(Cl)c3c2=O)n1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2cnc3nnccc3c2=O)n1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H](CO1)c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Fc1ccc(cc1CNC(=O)C1CCCN1S(=O)(=O)c1cc2ccccc2o1)-c1cnc(nc1)C1CC1
Fc1ccc(cc1F)-c1n[nH]c2cc(OC(F)(F)F)cnc12
Fc1ccc(cc1F)-c1n[nH]c2cc(ccc12)C(F)(F)F
Fc1ccc(cc1F)-c1n[nH]c2cc(cnc12)C(F)(F)F
Fc1ccc(cc1F)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r,wU:16.19,(-10.98,-3.25,;-9.55,-2.67,;-8.34,-3.62,;-6.91,-3.04,;-6.69,-1.52,;-7.91,-.57,;-9.34,-1.15,;-10.55,-.2,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;5.64,3.62,;2.98,3.62,;1.64,2.85,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc(cc1F)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F |r,wU:16.19,(-10.98,-3.25,;-9.55,-2.67,;-8.34,-3.62,;-6.91,-3.04,;-6.69,-1.52,;-7.91,-.57,;-9.34,-1.15,;-10.55,-.2,;-5.27,-.94,;-4.69,-2.37,;-3.74,-1.15,;-5.05,.59,;-6.16,1.66,;-5.48,3.04,;-3.96,2.83,;-4.62,1.66,;-3.69,1.31,;-2.36,.54,;-2.36,-1,;-1.03,1.31,;.31,.54,;1.64,1.31,;2.98,.54,;4.31,1.31,;4.31,2.85,;2.98,3.62,;1.64,2.85,;.31,3.62,;5.64,.54,;5.64,-1,;6.98,-1.77,;8.31,-1,;8.31,.54,;6.98,1.31,;9.64,-1.77,;10.98,-1,;9.64,-3.31,;10.98,-2.54,)|
Fc1ccc2C(=C)OC(=O)c2c1
Fc1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(OC(F)(F)F)ccc12
Fc1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(OC(F)(F)F)cnc12
Fc1ccc2cc(oc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
Fc1ccc2cc(oc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)C(NCC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)c1ccccn1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)Cc1ccccc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)Cc1ncco1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)Cc1ccccc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)Cc1cnccn1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)Cc1ncco1
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC1CC1)CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC1CCNC1)CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC1CCNCC1)CC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N(CC1CCNCC1)CC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F |r,wU:18.22,(-11.5,-4.47,;-10.55,-3.26,;-11.13,-1.83,;-10.18,-.62,;-8.66,-.83,;-7.48,.16,;-6.17,-.66,;-6.54,-2.15,;-8.08,-2.26,;-9.03,-3.48,;-4.74,-.08,;-4.17,-1.51,;-3.22,-.3,;-4.53,1.44,;-5.64,2.51,;-4.96,3.9,;-3.44,3.68,;-4.1,2.51,;-3.17,2.16,;-1.84,1.39,;-1.84,-.15,;-.5,2.16,;.83,1.39,;2.17,2.16,;3.5,1.39,;4.83,2.16,;4.83,3.7,;6.17,4.47,;3.5,4.47,;2.17,3.7,;6.17,1.39,;6.17,-.15,;7.5,-.92,;8.83,-.15,;8.83,1.39,;7.5,2.16,;10.17,-.92,;11.5,-.15,;10.17,-2.46,;11.5,-1.69,)|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r,wU:18.22,(-11.5,-5.24,;-10.55,-4.03,;-11.13,-2.6,;-10.18,-1.39,;-8.66,-1.6,;-7.48,-.61,;-6.17,-1.43,;-6.54,-2.92,;-8.08,-3.03,;-9.03,-4.25,;-4.74,-.85,;-4.17,-2.28,;-3.22,-1.07,;-4.53,.67,;-5.64,1.74,;-4.96,3.13,;-3.44,2.91,;-4.1,1.74,;-3.17,1.39,;-1.84,.62,;-1.84,-.92,;-.5,1.39,;.83,.62,;2.17,1.39,;3.5,.62,;4.83,1.39,;4.83,2.93,;3.5,3.7,;2.17,2.93,;.83,3.7,;.83,5.24,;-.5,2.93,;-.5,4.47,;6.17,.62,;6.17,-.92,;7.5,-1.69,;8.83,-.92,;8.83,.62,;7.5,1.39,;10.17,-1.69,;11.5,-.92,;10.17,-3.23,;11.5,-2.46,)|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC(F)(F)CC1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC=CC1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |c:17|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC=CC[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r,c:17|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC=C[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r,c:17|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC1C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cc(OC(F)(F)F)ccc1F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cc(ccn1)-c1ccc(cc1)C#N
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cc(ccn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cc(ccn1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccc(F)c(OC(F)(F)F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccc(OC(F)(F)F)c(F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccc(OC(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccc(Oc2ccnc(c2)C(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OC(F)(F)F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccc(cc2)C#N)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2cccc(CN3CCOCC3)c2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccccc2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2cccnc2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccnc(c2)C(F)(F)F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccnc(c2)N2CCOCC2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(OCc2ccncc2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(Oc2ccc(cc2)C(F)(F)F)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(Cl)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(OC(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(cn1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(nc1)N1CCCC1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(nc1)N1CCOCC1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccccc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(n1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccnc(c1)-c1ccc(OC(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C#N
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1ccnc(c1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cncc(c1)-c1ccc(cc1)C#N
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cncc(c1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cncc(c1)-c1ccc(cn1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC1C(=O)NCc1cncc(c1)-c1ccc(nc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(OC(F)(F)F)cc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ccn1)-c1cnc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ccn1)-c1ncc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(cnn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(=O)n(c1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc2occc2c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cc2ccccc2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(Nc2ccc(cc2)C(F)(F)F)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OC2CCOCC2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCC2CCCOC2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCC2CCOC2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCC2CCOCC2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccc(nc2)C(F)(F)F)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccc(nc2)N2CCOCC2)c1
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2cccc(OCCN3CCOCC3)c2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2cccc(n2)C(F)(F)F)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccccn2)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(\C=C\c2ccc(cc2)C(F)(F)F)c1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)-c1cnc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)-c1cncc(c1)C#N |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(n1)-c1ccc(cc1)C#N |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(n1)-c1ccc(cc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1-c1ccccc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C1CC1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cncc(c1)-c1ccc(OC(F)(F)F)cc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ccn1)-c1cnc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ccn1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ccn1)-c1ncc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(cnn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1cccc(c1)-c1cnc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1CC[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1C[C@@H](C[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)c1ccccc1 |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1Cc2ccccc2[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
Fc1ccc2oc(cc2c1)S(=O)(=O)NCC(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)NCC(=O)NCc1cc(ncn1)-c1ccc(OC(F)(F)F)cc1
Fc1ccc2oc(cc2c1)S(=O)(=O)NCC(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F
Fc1ccc2oc(cc2c1)S(=O)(=O)Oc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1 |r|
Fc1cccc(-c2ccc3[nH]ncc3c2)c1C(F)(F)F
Fc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)c1 |r|
Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Fc1cccc(O[C@H]2C[C@@H](C2)c2noc(Cn3cnc4ncccc4c3=O)n2)c1 |r,wU:7.6,wD:9.11,(10.27,1.36,;8.74,1.52,;8.11,2.93,;6.58,3.09,;5.68,1.84,;6.3,.44,;5.4,-.81,;3.87,-.65,;2.67,-1.62,;1.7,-.42,;2.9,.55,;.17,-.26,;-.6,1.07,;-2.11,.75,;-2.27,-.78,;-3.6,-1.55,;-4.94,-.78,;-4.94,.76,;-6.27,1.53,;-7.6,.76,;-8.94,1.53,;-10.27,.76,;-10.27,-.78,;-8.94,-1.55,;-7.6,-.78,;-6.27,-1.55,;-6.27,-3.09,;-.86,-1.4,;7.83,.27,)|
Fc1cccc(Oc2ncnc3[nH]ccc23)c1
Fc1cccc(Oc2ncnc3[nH]ccc23)c1F
Fc1cccc(c1)-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Fc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1 |r|
Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Fc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3nc(Cl)ccc3c2=O)n1 |r|
Fc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Fc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Fc1cccc(c1)[C@@]1(F)C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1 |r,wD:10.13,7.8,(9.51,2.3,;8.6,1.05,;9.23,-.35,;8.32,-1.6,;6.79,-1.44,;6.16,-.03,;7.07,1.21,;4.63,.13,;5.4,1.46,;3.43,-.84,;2.47,.36,;3.66,1.33,;.93,.52,;.16,1.85,;-1.34,1.53,;-1.5,,;-2.84,-.77,;-4.17,,;-4.17,1.54,;-5.5,2.31,;-6.84,1.54,;-8.17,2.31,;-9.51,1.54,;-9.51,,;-8.17,-.77,;-6.84,,;-5.5,-.77,;-5.5,-2.31,;-.1,-.63,)|
Fc1cccc(c1-c1ccc2[nH]ncc2c1)C(F)(F)F
Fc1cccc2c1ncn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
Fc1cccc2cc(oc12)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
Fc1cccc2cc(oc12)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F |r|
Fc1cccc2oc(cc12)S(=O)(=O)N1CCCC1C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F
Fc1cccc2oc(cc12)S(=O)(=O)N1CCCC1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F
Fc1cccc2oc(cc12)S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
Fc1ccccc1-c1ccc2[nH]ncc2c1
Fc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Fc1ccccc1Oc1ncnc2[nH]ccc12
Fc1ccnc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2cnc3ncccc3c2=O)n1 |r|
Fc1ccnc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
ICC(=O)NCCCCC#C
N#CCn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
N#CCn1nnnc1Cc1ccc(cc1)-c1ccccc1
N#Cc1ccc(Oc2ncnc3[nH]ccc23)cc1
N#Cc1ccc2Cc3ccccc3N=Cc2c1 |c:14|
N#Cc1cccc2C=Nc3ccccc3Cc12 |c:7|
N#Cc1cccc2C=Nc3ccccc3Oc12 |c:7|
N#Cc1cccc2N=Cc3ccccc3Oc12 |c:7|
N#Cc1ccccc1-c1ccc2[nH]ncc2c1
NC(=O)CI
NC(=O)\C=C1\C(=O)N(CC2CCCC2)c2c1cccc2F
NC(=O)c1ccc2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1 |r|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
NC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:8|
NC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:8|
NC(=O)c1cccc2N=Cc3ccccc3Oc12 |c:8|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc(Cl)c(Cl)s4)n3)c(=O)c12 |r|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12 |r|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c12 |r|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c12 |r|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12 |r|
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4ccc5oc(F)cc5c4)n3)c(=O)c12 |r|
NC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1Cl |r|
NC(=O)c1sc2ncn(Cc3nnn(C[C@H](O)c4ccc(Cl)cc4)n3)c(=O)c2c1Cl |r|
NC1=NC=CC2C1N=CN(Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C2=O |r,c:3,8,t:1|
Nc1ccc2c(cnn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1 |r|
Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c2=O)n1 |r|
Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c2=O)n1 |r|
Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c2=O)n1 |r,c:19|
Nc1ccc2c(ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(F)c3)c2=O)n1 |r|
Nc1nc(=O)c2cccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r|
Nc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc(n1)-c1ccc(cc1)C(F)(F)F |r|
Nc1nc(ccc1-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ccn1)C(F)(F)F |r|
Nc1nc2cccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r|
Nc1nc2ncccc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1cccc(F)c1 |r|
Nc1nc2nccnc2n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Nc1nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c2s1 |r|
Nc1nc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(F)cc3)c(=O)c2s1 |r|
Nc1nc2ncsc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1 |r|
Nc1nc2ncsc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r|
Nc1nn2c(ncc2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(Cl)cc1)C(F)(F)F |r|
Nc1nn2ncc(Cl)c2c(=O)n1Cc1nc(no1)[C@@H]1CO[C@H](C1)c1ccc(F)cc1 |r|
O(c1ccccc1)c1ncnc2[nH]ccc12
O1c2ccccc2C=Nc2ccccc12 |c:8|
O=C(N1CCCCC1)n1nnc(Cc2ccc(cc2)-c2ccccc2)n1
O=C(N1CCCCC1)n1nnnc1Cc1ccc(cc1)-c1ccccc1
O=C(NCc1cc(\C=C\C2CC2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cc(ccn1)-c1ccc(cc1)C#N)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cc(ccn1)-c1ccc(cn1)C#N)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cc(ccn1)C1=CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r,t:11|
O=C(NCc1ccc(COc2ccccc2)cc1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccc(cc1)-c1ccc(cc1)C#N)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccc(cc1)-c1cccc(c1)C#N)[C@@H]1C=CCN1S(=O)(=O)c1cc2ccccc2o1 |r,c:21|
O=C(NCc1cccc(OCc2ccc(cc2)C#N)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cccc(OCc2cccc(c2)C#N)c1)C1CCCN1S(=O)(=O)c1cc2ccccc2o1
O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1 |r|
O=C(NCc1cccc(OCc2cccnc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cccc(OCc2ccco2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cccc(OCc2cccs2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1cccc(OCc2ccsc2)c1)C1CCCN1S(=O)(=O)c1cc2ccccc2o1
O=C(NCc1cccc(SCc2ccccc2)c1)C1CCCN1S(=O)(=O)c1cc2ccccc2o1
O=C(NCc1cccc(c1)S(=O)Cc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC1)C(=O)c1ccccc1
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC2CCCOC2)CC1
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(Cc2ccccc2)CC1
O=C(NCc1ccnc(c1)-c1cc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccnc(c1)-c1ccc(cc1)C#N)C1CCCN1S(=O)(=O)c1cc2ccccc2o1
O=C(NCc1ccnc(c1)-c1ccc(cc1OCc1ccccc1)C#N)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccnc(c1)-c1cccc(c1)C#N)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1ccnc(c1)-c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 |r|
O=C(NCc1nnn(CC#N)n1)c1ccc(cc1)-c1ccccc1
O=C(NCc1nnnn1CC#N)c1ccc(cc1)-c1ccccc1
O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
O=C(Oc1cccc(c1)-c1ccccc1)N1CCc2c(C1)[nH]c1ccccc21
O=C1C2=C(NC(=S)NC2c2cccc(OCc3ccccn3)c2)c2ccccc12 |t:2|
O=C1C2=C(NC(=S)NC2c2cccc(OCc3cccnc3)c2)c2ccccc12 |t:2|
O=C1C2C(NC(=O)N=C2c2ccccc12)c1ccccc1 |c:7|
O=C1C2C(NC(=S)N=C2c2ccccc12)c1ccccc1 |c:7|
O=C1C2[C@@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
O=C1CCCC2=NC(=S)NC(C12)c1ccccc1 |t:5|
O=C1N(Cc2ccccc2)c2ccccc2\C1=C/c1nccs1
O=C1O\C(=C/Cc2ccccc2)c2ccccc12
O=C1O\C(=C/c2ccccc2)c2ccccc12
O=C\C=C\c1ccccc1
O=S(=O)(N1CCC[C@H]1C(=S)NCc1ccnc(c1)-c1ccc(cc1)C#N)c1cc2ccccc2o1 |r|
O=c1cccc2n1ccn(Cc1nc(no1)[C@H]1[C@@H]3CC(=C[C@H]13)c1ccccc1)c2=O |r,c:21|
O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccc3ncsc3c2)cnc2ncccc12 |r|
O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccc3ncsc3c2)ncc2ncccc12 |r|
O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccccc2)cnc2cnccc12 |r|
O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccccc2)cnc2ncccc12 |r|
O=c1n(Cc2nc(no2)[C@@H]2[C@H]3CN(C[C@@H]23)c2ccccc2)ncc2ncccc12 |r|
O=c1n(Cc2nc(no2)[C@H]2[C@@H]3CC(=C[C@H]23)c2ccccc2)cnc2nc(ccc12)C#N |r,c:13|
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
OC(=O)\C=C1\C(=O)N(CC2CCC2)c2c1cccc2F
OC(=O)\C=C1\C(=O)N(CC2CCCC2)c2c1cccc2F
OC(=O)\C=C1\C(=O)N(CC2CCCC2)c2ccccc12
OC(=O)\C=C1\C(=O)N(CC2CCCCC2)c2ccccc12
OC(=O)\C=C1\C(=O)N(Cc2ccccc2)c2ccc(F)cc12
OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc(cc1Cl)C(F)(F)F
OC(=O)c1ccc(cc1)\N=N\c1ccccc1
OC(=O)c1ccc(nc1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F |r|
OC(=O)c1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:14|
OC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:8|
OC(=O)c1ccccc1NC(=O)C(=C\c1ccccc1)\c1ccccc1
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Br)cc1
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Cl)cc1
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(F)cc1
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(O)cc1
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)C(F)(F)F
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
OC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1Cl
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
OC(CC(=O)CCc1ccc(O)cc1)Cc1ccccc1
OC(CC(=O)CCc1ccc2OCOc2c1)Cc1ccccc1
OC(CC(=O)CCc1ccccc1)Cc1ccccc1
OC(CCCCCCc1ccccc1)CC(=O)CCc1ccc(O)cc1
OC(CCCCCCc1ccccc1)CC(=O)CCc1ccc2OCOc2c1
OC(CCCCCCc1ccccc1)CC(=O)CCc1ccccc1
OC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1
OC1(CCN(CC1)C(CNC(=O)C1(CC1)c1ccc(Cl)cc1)Cc1ccc(F)cc1)C(F)(F)F
OC1(CCN(CC1)C(CNC(=O)C1(CC1)c1ccc(Cl)cc1)Cc1ccccc1)C(F)(F)F
OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccc(Br)cc1)C(F)(F)F
OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccc(cc1)C#N)C(F)(F)F
OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccccc1)C(F)(F)F
OC1(CCN(CC1)C(CNC(=O)C1(CCCCC1)c1ccc(F)cc1)Cc1ccccc1)C(F)(F)F
OC1CCN([C@@H]1C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1)S(=O)(=O)c1cc2ccccc2o1 |r|
OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
OC[C@@H]1CC[C@@H](N1S(=O)(=O)c1cc(Cl)c(F)c(Cl)c1)c1ccc(F)cc1 |r|
OC[C@@H]1CC[C@@H](N1S(=O)(=O)c1ccc(F)cn1)c1ccc(F)cc1 |r|
OC[C@@H]1CC[C@@H](N1S(=O)(=O)c1ccccc1)c1ccc(F)cc1 |r|
OC[C@@H]1CC[C@@H](N1S(=O)(=O)c1cccnc1)c1ccc(F)cc1 |r|
OC[C@H]1Cc2cc(ccc2[C@H](N1)c1cc(F)cc(Cl)c1)C#N |r|
OC[C@]1(CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F |r|
OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
O[C@@H](Cc1noc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1ccc(Cl)cc1 |r|
O[C@@H](Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1cc2cc(Cl)ccc2o1 |r|
O[C@@H](Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1cc2cc(F)ccc2o1 |r|
O[C@@H](Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1ccc(Cl)cc1 |r|
O[C@@H](Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1ccc(Cl)s1 |r|
O[C@@H](Cn1nnc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1ccc(s1)C#N |r|
O[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F |r|
O[C@@H]1C[C@H](N(C1)S(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
O[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1 |r,wD:3.5,1.0,(4.78,1.46,;4.01,.13,;2.81,-.84,;1.84,.36,;3.04,1.33,;.31,.52,;-.46,1.85,;-1.97,1.53,;-2.13,,;-3.46,-.77,;-4.8,,;-4.8,1.54,;-6.13,2.31,;-7.46,1.54,;-8.8,2.31,;-10.13,1.54,;-10.13,,;-8.8,-.77,;-7.46,,;-6.13,-.77,;-6.13,-2.31,;-.72,-.63,;5.54,-.03,;6.16,-1.44,;7.69,-1.6,;8.6,-.35,;10.13,-.51,;7.97,1.05,;6.44,1.21,)|
O[C@@]1(C[C@@H](C1)c1noc(Cn2cnc3ncccc3c2=O)n1)c1cccc(Cl)c1 |r,wD:3.5,1.0,(5.4,1.46,;4.63,.13,;3.43,-.84,;2.47,.36,;3.66,1.33,;.93,.52,;.16,1.85,;-1.34,1.53,;-1.5,,;-2.84,-.77,;-4.17,,;-4.17,1.54,;-5.5,2.31,;-6.84,1.54,;-8.17,2.31,;-9.51,1.54,;-9.51,,;-8.17,-.77,;-6.84,,;-5.5,-.77,;-5.5,-2.31,;-.1,-.63,;6.16,-.03,;6.79,-1.44,;8.32,-1.6,;9.23,-.35,;8.6,1.05,;9.51,2.3,;7.07,1.21,)|
O[C@H]1CCN(C1C(=O)NCc1cccc(c1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
O[C@H]1CCN(C1C(=O)NCc1cccc(c1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
O[C@H]1CCN(C1C(=O)NCc1ccnc(c1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
O[C@H]1CCN([C@@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2cc(F)ccc2o1 |r|
O[C@H]1CCN([C@@H]1C(=O)NCc1cc(ccn1)-c1ccc(cn1)C(F)(F)F)S(=O)(=O)c1cc2ccccc2o1 |r|
O[C@H]1CCN([C@@H]1C(=O)NCc1cc(ncn1)-c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1cc2ccccc2o1 |r|
Oc1cc(F)c(F)cc1-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1
Oc1cc(F)c(F)cc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Oc1cc(F)ccc1-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1
Oc1cc(F)ccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Oc1cc(O)cc(\C=C\c2ccc(Cl)cc2)c1
Oc1cc(O)cc(\C=C\c2ccccc2)c1
Oc1cc(ccc1-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1)C(F)(F)F
Oc1cc(ccc1-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1)C(F)(F)F
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ncn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccc1F)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ncn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)ccn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ncn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3ccccc3o2)ccn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)ccn1)C(F)(F)F |r|
Oc1cc(ccc1-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)n1)C(F)(F)F |r|
Oc1cc(ccc1-c1ccnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)c1)C(F)(F)F |r|
Oc1ccc(CCC(=O)C=CCCCCCCc2ccccc2)cc1 |w:9.8|
Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Oc1ccc(CN=C=S)cc1
Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(nn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1cnc(cn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ncc(cn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cnccc3o2)cc1-c1ccc(cn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc1-c1ccc(cn1)C(F)(F)F |r|
Oc1ccc(CNC(=O)[C@@H]2CCN2S(=O)(=O)c2cc3cc(F)ccc3o2)cc1-c1cnc(cn1)C(F)(F)F |r|
Oc1ccc(\C=C\c2cc(Br)c(O)c(Br)c2)cc1
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Oc1ccc(\C=C\c2ccc(O)cc2)cc1
Oc1ccc(\C=C\c2cccc(O)c2)cc1
Oc1ccc(\C=C\c2ccccc2)cc1
Oc1ccc2C=Nc3ccccc3Oc2c1 |c:5|
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)CCCCCCCc1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Cc1cccc(c1)-c1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Nc1ccc(cc1)-c1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Nc1cccc(c1)-c1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Oc1ccc(cc1)-c1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Oc1cccc(c1)-c1ccccc1
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Oc1cccc(c1)C(F)(F)F
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(CC3)c3ncccc3C(F)(F)F)c2c1
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(CC3)c3ncccc3Cl)c2c1
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(Cc4ccc5ccccc5n4)CC3)c2c1
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(Cc4ccccn4)CC3)c2c1
Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1
Oc1cccc(\C=C\c2ccccc2)c1
Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Oc1cccc(c1)\N=N\c1ccccc1
Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
Oc1ccccc1-c1cc(CNC(=O)C2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)ccn1
Oc1ccccc1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)ccn1 |r|
Oc1ccccc1-c1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3cc(F)ccc3o2)n1 |r|
Oc1ccccc1Cl
Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O |c:10|
Oc1ccccc1\C=C\c1ccccc1
Oc1cnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc3ccccc3o2)cc1-c1ccc(cn1)C(F)(F)F |r|
S1c2ccccc2C=Nc2ccccc12 |c:8|
S=C(NCc1ccccc1)NCc1ccccc1
S=C1NC(C2CCCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
S=C1NC(C2CCCC2=N1)c1ccccc1 |c:9|
S=C1NC(C2CCCCC2=N1)c1ccccc1 |c:10|
S=C1NC(C2CCc3ccccc3C2=N1)c1ccccc1 |c:15|
S=C1NC(CC(=N1)c1ccccc1)c1ccccc1 |c:5|
S=C1NC(c2oc3ncccc3c2N1)c1cccc(OCc2cccnc2)c1
S=C=NCC#C
S=C=NCCc1ccccc1
S=C=NCc1ccccc1
[#16;v0]
[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](-[#6])=O)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1)-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#6])cc1)-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(Cl)cc1)-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#6])cc1)-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1
[#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1
[#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c2-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c2c1 |c:10|
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6]=O)ccc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#6]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#6]-c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#7]-c1cccc(Cl)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#8]-c1ccc(cc1)C([#6])([#6])[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-c1ccc2ccccc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-c1cccc(I)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#7]-c1ccc(cc1)C([#6])([#6])[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-c1ccc(cc1)C#N
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-c1cccc(-[#6])c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-[#6]-[#6](-[#8-])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#6]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#6]-c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#7]-c1ccc(cc1)C([#6])([#6])[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#7]-c1cccc(Cl)c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#8]-c1ccc(cc1)C([#6])([#6])[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-[#6]-c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1ccc(cc1)C#N
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cccc(-[#6])c1
[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1noc(Cn2cnc3ncn(C)c3c2=O)n1)c1cccc(Cl)c1 |r|
[H][C@@]12C[C@@H](CC[C@@]1(C)CCCC2=C)C(C)(C)O |r|
[H][C@@]12C[C@H](CC)[C@@]3([H])N(C1)CCc1c([nH]c4ccccc14)[C@]3(C2)C(=O)OC |r,TLB:4:3:21.22:8.9,23:21:3.2:8.9,THB:10:8:3.2:21.22,3:6:1.22.9:13.10.12.11,13:21:3.2:8.9|
[H][C@@]12C[C@H](CC)[C@]3([H])N(CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C1)C(=O)OC)C2=O |r,TLB:24:22:8.28:3.2,29:28:22.23:3.2,THB:12:22:8.28:3.2,4:3:22.23:8.28,3:6:23.28.1:12.11.10.9,9:8:22.23:3.2|
[H][C@@]12C[C@H](CC)[C@]3([H])N(Cn4c(c(COC)c5ccc(OC)cc45)[C@@]3(C1)C(=O)OC)C2 |r,TLB:26:24:2.3:8.30,THB:3:6:10.11.9:25.1.30,4:3:24.25:8.30,11:24:2.3:8.30,9:8:24.25:2.3|
[H][C@@]12Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](N1C(=O)\C(NC2=O)=C\c1cc(OC)c(OC)c(C)c1OC)c1ccccc1 |r|
[H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CC[C@@]1(O)C(=Nc4ccc(OC)cc14)[C@@]3(C2)C(=O)OC |r,c:15,TLB:4:3:24.25:8.9,26:24:8.9:3.2,THB:14:24:8.9:3.2,3:6:25.9.1:14.12.11.10,10:8:24.25:3.2|
[H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@]3(CO)C2 |r,TLB:4:3:23.26:8.9,24:23:8.9:3.2,THB:13:23:8.9:3.2,3:6:26.9.1:13.12.11.10,10:8:23.26:3.2|
[H][C@]12Cc3c(O)cc(CCCCC)cc3O[C@@]1(C)CCCC2(C)C |r|
[H][C@]12Cc3c(O)cc(CCCCC)cc3O[C@]1(C)CCCC2(C)C |r|
[H][C@]12Cc3c(O)cc(CCCCC)cc3O[C@]1(C)CC[C@@H](I)C2(C)C |r|
[Na+].[Na+].C[C@H]1[C@H](F)C[C@@H](N(COP([O-])([O-])=O)Cc2cc(ncc2F)-c2cnc(nc2)C(F)(F)F)N1S(=O)(=O)c1ccc(F)cc1 |r|
[Na;v0+].[Na;v0+].[#16-]-[#16]-[#16-]
[O-][N+](=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
c1cc2ccccc2[nH]1
c1n[nH]c2ccc(cc12)-c1ccccc1