6303 SMILES Strings for Lysine-specific histone demethylase 1A

Compound Name
SMILES String
c1ccc(cc1)[C@@H]2C[C@H]2N
NC1CC1c1c(F)c(F)c(F)c(F)c1F
NC1CC1c1cccc(F)c1OCc1ccccc1
NC1CC1c1cc(F)ccc1-c1ccccc1
NC1CC1c1cc(Cl)ccc1OCc1ccccc1
CC(C)COc1ccc(Cl)cc1C1CC1N
CC(C)COc1c(Cl)cc(Cl)cc1C1CC1N
NC1CC1c1ccc(OCc2ccccc2)cc1OCc1ccccc1
CC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1
NC1CC1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1
NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
NCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
CCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
COc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NC1CC1 |r|
NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CC(N[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CC1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC#C |r|
CC(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
CC(C)(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
O=C(CN[C@H]1CC1c1ccccc1)N1CCOCC1 |r|
Fc1ccc(NC(=O)CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
CC(N[C@H]1C[C@@H]1c1ccccc1)C(N)=O |r|
COC(=O)C(C)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1 |r|
CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CN(C)[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CN(C)[C@@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1 |r|
CC(C)(C)NC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
CCN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
O=C(CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)NC1CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCCc2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
COc1cc(F)ccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccncc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
NNCCc1ccccc1
CNNCCc1ccccc1
CN(C)NCCc1ccccc1
NNCCCc1ccccc1
CNNCCCc1ccccc1
COc1ccc(CCCNN)cc1
CNNCCCc1ccc(OC)cc1
COc1ccc(CCCNNC(C)=O)cc1
NNCCCCc1ccccc1
NNCCOc1ccccc1
NNCCCOc1ccccc1
NNCCCN1CCOCC1
NNCCc1ccc(NC(=O)c2ccccc2)cc1
NNCCc1ccc(NC(=O)Cc2ccccc2)cc1
NNCCc1ccc(NC(=O)CCc2ccccc2)cc1
NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
NNCCc1ccc(NC(=O)CCCCc2ccccc2)cc1
NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1
NNCCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1
COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1
NNCCc1ccc(NC(=O)CCCc2ccc(cc2)[N+]([O-])=O)cc1
CS(=O)(=O)Oc1ccccc1CCC(=O)Nc1ccc(CCNN)cc1
CS(=O)(=O)Oc1cccc(CCC(=O)Nc2ccc(CCNN)cc2)c1
NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
NNCCCc1ccc(OCc2ccccc2)cc1
NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
CN(C(=O)CCCc1ccccc1)c1ccc(CCNN)cc1
NNCCc1ccc(cc1)N(Cc1ccccc1)C(=O)CCCc1ccccc1
NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)COc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccc(Br)cc2)cc1
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1)C1CC1N
NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)NCc2ccccc2)cc1
Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Oc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1O
Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
Oc1ccccc1\C=N\NC(=O)c1cccc(Cl)c1
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Fc1ccc(cc1C(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)NNC(=O)c1ccc(C)cc1
Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc2ccccc12
C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1F
C\C(=N/NC(=O)c1ccccc1)c1c(O)cccc1O
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1Cl
C\C(=N/NC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cnc(Cl)c(Br)c1)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O
CC\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccnc1
C\C(=N/NC(=O)c1cccc(c1)N1CCOCC1)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
N[C@H]1C[C@@H]1c1ccccc1 |r|
[Cl-].Fc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
[Cl-].N#Cc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
[Cl-].FC(F)(F)c1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccccn1 |r|
C(N[C@H]1CC1c1ccccc1)c1cccnc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccncc1 |r|
Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
C(N[C@H]1CC1c1ccccc1)c1nccs1 |r|
C(N[C@H]1CC1c1ccccc1)c1cccs1 |r|
[Cl-].Fc1cccc(C[NH2+][C@H]2CC2c2ccccc2)c1 |r|
Fc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
COc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
Oc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2ccccc2n1 |r|
FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 |r|
Fc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
C(N[C@H]1CC1c1ccccc1)c1cnc2ccccc2c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
COc1cncc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
C(N[C@H]1CC1c1ccccc1)C1C=Nc2ccccc12 |r,c:14|
N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
COc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
Nc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
Clc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCc2c1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCOc2c1 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
FC(F)(F)Oc1ccc(CN[C@H]2CC2c2ccccc2)cc1 |r|
COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c2ccccc12 |r|
COc1cccc(F)c1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1 |r|
COc1ccc2c(OC)ccc(CN[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 |r|
C(N[C@H]1CC1c1ccccc1)c1cccc2OCCCOc12 |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2OCCCOc2c1 |r|
CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C |r|
COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C |r|
COc1cc(F)c(CN[C@H]2CC2c2ccccc2)cc1OC |r|
COc1cc(CN[C@H]2CC2c2ccccc2)cc(Cl)c1OC |r|
COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC |r|
C(N[C@H]1CC1c1ccccc1)c1ccc2[nH]ccc2c1 |r|
C(N[C@H]1CC1c1ccc(OCc2ccccc2)cc1)c1ccccn1 |r|
COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
COc1ccc(cc1)C(C)N[C@H]1CC1c1ccccc1 |r|
COc1ccc(cc1OC)C(C)N[C@H]1CC1c1ccccc1 |r|
CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
COc1ccc(CC(C)N[C@H]2CC2c2ccccc2)cc1OC |r|
Cc1noc(CN[C@H]2CC2c2ccccc2)n1 |r|
N[C@@H]1C[C@H]1c1ccccc1 |r|
Oc1ccc(Cl)cc1NCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1
CN(C)S(=O)(=O)c1cccc(NC(=O)CN(C)c2cc(Cl)ccc2O)c1
CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)c1cc(Cl)ccc1O
CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(O)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(Cl)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(CO)cc1 |r|
COc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C#N |r|
N[C@H]1CC1c1ccc(nc1)-c1cccc(c1)C#N |r|
Cc1ccc(cc1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Cc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(O)cc1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(N)=O |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(N)=O |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccccc1O |r|
COc1cc(ccc1C)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(F)c(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1F)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)s1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2sccc2c1 |r|
Cc1cc(cnc1-c1cccc(Cl)c1)[C@H]1C[C@@H]1N |r|
Cc1cc(cnc1-c1cccc(c1)C(F)(F)F)[C@H]1C[C@@H]1N |r|
COc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(F)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(F)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cccc(c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(Cl)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(c1)C(F)(F)F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1Cl |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r|
Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1 |r|
N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1ccccc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(cc1-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
COc1ccc(cc1-c1ccc(cc1)[C@H]1C[C@@H]1N)C#N |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1Cl)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(Cl)cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(O)cc1)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(cc1)C(N)=O)-c1cccc(c1)C(F)(F)F |r|
Cc1nc(ccc1[C@H]1C[C@@H]1N)-c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N |r|
CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r|
CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(NS(=O)(=O)c2ccc(cc2)C#N)cc(c1)C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|
CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1O |r|
COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
NC1CCC(CC1)NC1CC1c1ccccc1 |(6.09,2.69,;4.76,1.92,;4.76,.38,;3.43,-.39,;2.09,.38,;2.09,1.92,;3.43,2.7,;.76,-.39,;-.58,.38,;-1.35,1.72,;-2.12,.38,;-3.45,-.39,;-4.78,.38,;-6.12,-.39,;-6.12,-1.93,;-4.78,-2.7,;-3.45,-1.93,)|
NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1 |r,wU:10.12,wD:8.8,(5.92,2,;4.58,1.23,;4.58,-.31,;3.25,-1.08,;1.91,-.31,;1.91,1.23,;3.25,2,;.58,-1.08,;-.75,-.31,;-1.52,1.03,;-2.29,-.31,;-3.63,-1.08,;-5.09,-.6,;-6,-1.85,;-5.09,-3.09,;-3.63,-2.62,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cccnc1 |r,wU:10.12,wD:8.8,(6.06,2.15,;4.73,1.38,;4.73,-.16,;3.4,-.93,;2.06,-.16,;2.06,1.38,;3.4,2.15,;.73,-.93,;-.6,-.16,;-1.37,1.17,;-2.14,-.16,;-3.48,-.93,;-4.81,-.16,;-6.14,-.93,;-6.14,-2.47,;-4.81,-3.24,;-3.48,-2.47,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-1.37,.22,;-2.71,-.55,;-4.04,.22,;-4.04,1.76,;-2.71,2.53,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.42,;8.11,2.65,;8.11,1.11,;6.77,.34,;5.44,1.11,;5.44,2.65,;6.77,3.42,;4.1,.34,;2.77,1.11,;2,2.44,;1.23,1.11,;-.1,.34,;-.1,-1.2,;-1.44,-1.97,;-2.77,-1.2,;-4.1,-1.97,;-5.44,-1.2,;-6.77,-1.97,;-8.11,-1.2,;-9.44,-1.97,;-9.44,-3.51,;-8.11,-4.28,;-6.77,-3.51,;-2.77,.34,;-1.44,1.11,)|
CC1(N)CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.21,1.64,;4.67,1.64,;5.44,2.98,;4.67,.1,;3.33,-.67,;2,.1,;2,1.64,;3.33,2.41,;.67,-.67,;-.67,.1,;-1.44,1.44,;-2.21,.1,;-3.54,-.67,;-3.54,-2.21,;-4.87,-2.98,;-6.21,-2.21,;-6.21,-.67,;-4.87,.1,)|
NCC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.93,;5.44,2.7,;4.1,1.93,;4.1,.39,;2.77,-.38,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
NC1CCCC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r|
NC1CC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:8.10,wD:6.6,(5.71,2.47,;4.38,1.7,;3.98,.21,;2.49,.61,;2.89,2.1,;1.16,-.16,;-.17,.61,;-.94,1.94,;-1.71,.61,;-3.05,-.16,;-3.05,-1.7,;-4.38,-2.47,;-5.71,-1.7,;-5.71,-.16,;-4.38,.61,)|
NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12 |r|
NC1CCC(CC1)N[C@@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,8.8,(6.1,2.69,;4.77,1.93,;4.77,.39,;3.44,-.39,;2.1,.39,;2.1,1.93,;3.44,2.7,;.77,-.38,;-.56,.39,;-1.33,1.72,;-2.1,.39,;-3.44,-.39,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-6.1,-.39,;-4.77,.38,)|
CNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.92,;5.44,2.69,;4.1,1.93,;4.1,.39,;2.77,-.39,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
CC(C)(C)OC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:17.19,wD:15.15,(8.77,2.69,;7.44,1.92,;7.44,.38,;8.77,1.15,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
CCNC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.17,wD:13.13,(8.77,2.69,;7.44,1.92,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
C1[C@H](NC2CCC(CC2)N2CCOCC2)[C@H]1c1ccccc1 |r,wU:15.18,wD:1.1,(-2.67,.56,;-1.9,-.77,;-.56,-1.54,;.77,-.77,;2.1,-1.54,;3.44,-.77,;3.44,.77,;2.1,1.54,;.77,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;6.1,3.85,;4.77,3.08,;-3.44,-.77,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r,wU:10.12,wD:8.8,(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
Cc1ccccc1C1CC1NC1CCC(N)CC1 |(-2.1,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-6.1,-.38,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,)|
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N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:15.18,wD:13.14,1.0,(10.17,5.25,;9.4,3.92,;9.87,2.45,;8.63,1.55,;7.38,2.45,;7.86,3.92,;6.05,1.68,;6.05,.14,;4.71,-.63,;3.38,.14,;3.38,1.68,;4.71,2.45,;2.04,-.63,;.71,.14,;-.06,1.47,;-.83,.14,;-2.16,-.63,;-2.16,-2.17,;-3.5,-2.94,;-4.83,-2.17,;-4.83,-.63,;-3.5,.14,;-6.16,-2.94,;-6.16,-4.48,;-7.5,-5.25,;-8.83,-4.48,;-8.83,-2.94,;-7.5,-2.17,;-10.17,-2.17,;-11.71,-2.17,;-10.17,-.63,;-9.08,-1.08,)|
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N[C@H]1CC[C@@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,1.0,wD:8.8,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,4.7,1.0,wD:10.12,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,1.0,wD:10.12,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r,wU:10.12,wD:8.8,(8.11,3.85,;6.77,3.08,;6.77,1.54,;5.44,.77,;4.1,1.54,;4.1,3.08,;5.44,3.85,;2.77,.77,;1.44,1.54,;.67,2.87,;-.1,1.54,;-1.44,.77,;-1.44,-.77,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-2.77,1.54,;-5.44,-1.54,;-6.77,-.77,;-8.11,-1.54,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1 |r,wU:10.12,wD:8.8,(7.96,3.7,;6.62,2.93,;6.62,1.39,;5.29,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;2.62,.62,;1.29,1.39,;.52,2.73,;-.25,1.39,;-1.59,.62,;-1.59,-.92,;-2.92,-1.69,;-4.25,-.92,;-4.25,.62,;-2.92,1.39,;-5.59,-1.69,;-7.05,-1.21,;-7.96,-2.46,;-7.05,-3.7,;-5.59,-3.23,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)[N+]#[C-] |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;.36,2.84,;.36,1.3,;-.97,.53,;-2.31,1.3,;-2.31,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;-.2,-5.42,;-.2,-6.96,;1.13,-7.73,;1.13,-9.27,;2.46,-6.96,;2.46,-5.42,;-3.64,8.23,;-4.98,9,)|
Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:14.15,wD:16.19,(-8.77,-3.08,;-7.44,-2.31,;-7.44,-.77,;-6.1,,;-4.77,-.77,;-4.77,-2.31,;-6.1,-3.08,;-6.1,-4.62,;-3.44,,;-3.44,1.54,;-2.1,2.31,;-.77,1.54,;-.77,,;-2.1,-.77,;.56,2.31,;1.33,3.64,;2.1,2.31,;3.44,1.54,;4.77,2.31,;6.1,1.54,;7.44,2.31,;7.44,3.85,;8.77,4.62,;6.1,4.62,;4.77,3.85,)|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(10.95,4.7,;9.61,3.93,;9.61,2.39,;8.28,1.62,;6.94,2.39,;6.94,3.93,;8.28,4.7,;5.61,1.62,;4.28,2.39,;3.51,3.73,;2.74,2.39,;1.4,1.62,;.16,2.53,;-1.09,1.62,;-.61,.16,;.93,.16,;-1.7,-.93,;-1.3,-2.42,;-2.39,-3.51,;-3.88,-3.11,;-4.28,-1.62,;-5.61,-.85,;-6.94,-1.62,;-7.71,-.29,;-6.17,-2.96,;-8.28,-2.39,;-8.28,-3.93,;-9.61,-4.7,;-10.95,-3.93,;-10.95,-2.39,;-9.61,-1.57,;-9.61,-.03,;-9.61,1.51,;-3.19,-.53,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,(11.7,3.85,;10.36,3.08,;10.36,1.54,;9.03,.77,;7.69,1.54,;7.69,3.08,;9.03,3.85,;6.36,.77,;5.03,1.54,;4.26,2.87,;3.49,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.51,-.77,;-.51,.77,;.82,1.54,;-1.85,-1.54,;-1.85,-3.08,;-3.18,-3.85,;-4.52,-3.08,;-4.52,-1.54,;-6.36,-.64,;-7.69,.13,;-6.92,1.47,;-8.46,1.47,;-9.03,-.64,;-9.03,-2.18,;-10.36,-2.95,;-11.7,-2.18,;-11.7,-.64,;-10.36,.13,;-10.36,1.67,;-10.36,3.21,;-3.18,-.77,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-.77,.77,;.56,1.54,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-8.21,-2.87,;-6.67,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@]1(F)c1ccccc1 |r,wD:8.8,10.12,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@]1(F)c1ccccc1 |r,wU:10.12,wD:8.8,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccnc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-2.77,.77,;-1.44,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)|
Cc1cccc(CNc2ccc(cn2)[C@H]2C[C@@H]2NC2CCC(N)CC2)c1 |r,wU:14.14,wD:16.18,(-10.11,-.77,;-8.77,-1.54,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-6.1,-1.54,;-4.77,-.77,;-3.44,-1.54,;-2.1,-.77,;-2.1,.77,;-.77,1.54,;.56,.77,;.56,-.77,;-.77,-1.54,;1.9,1.54,;2.67,2.87,;3.44,1.54,;4.77,.77,;6.1,1.54,;7.44,.77,;8.77,1.54,;8.77,3.08,;10.11,3.85,;7.44,3.85,;6.1,3.08,;-7.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(c2)C#N)nc1 |r,wU:10.12,wD:8.8,(8.77,2.31,;7.44,1.54,;7.44,,;6.1,-.77,;4.77,,;4.77,1.54,;6.1,2.31,;3.44,-.77,;2.1,,;1.33,1.33,;.56,,;-.77,-.77,;-2.1,,;-3.44,-.77,;-3.44,-2.31,;-4.77,-3.08,;-6.1,-2.31,;-7.44,-3.08,;-8.77,-2.31,;-8.77,-.77,;-7.44,.06,;-6.1,-.77,;-7.44,1.6,;-7.44,3.14,;-2.1,-3.08,;-.77,-2.31,)|
OC(=O)c1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
Fc1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
OC(=O)c1ccc(CN2CCC(CC2)NC2CC2c2ccccc2)cc1
OC(=O)c1cccc(CN2CCC(CC2)NC2CC2c2ccccc2)c1
Fc1ccc(CN2CCC(CC2)NC2CC2c2ccccc2)cc1
N#Cc1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
N#Cc1cccc(CN2CC(CNC3CC3c3ccccc3)C2)c1
Fc1cccc(c1)C(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
Fc1cccc(CN2CCC(CNC3CC3c3ccccc3)(CC#N)CC2)c1
O[C@H]1CCC(CC1)N1CC[C@@]2(CCCN(C2)C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1=O |r,wU:1.0,wD:10.37,(1.92,-5.67,;3.01,-4.58,;2.61,-3.1,;3.7,-2.01,;5.19,-2.41,;5.59,-3.89,;4.5,-4.98,;6.28,-1.32,;7.82,-1.32,;8.29,.15,;7.05,1.05,;8.38,1.82,;8.38,3.36,;7.05,4.13,;5.71,3.36,;5.71,1.82,;4.38,4.13,;4.38,5.67,;3.05,3.36,;2.65,1.88,;1.16,2.27,;-.17,1.5,;-1.51,2.27,;-2.84,1.5,;-3.61,2.84,;-4.38,1.5,;-5.71,.73,;-7.05,1.5,;-8.38,.73,;-8.38,-.81,;-7.05,-1.58,;-5.71,-.81,;1.56,3.76,;5.8,.15,;4.47,.92,)|
O[C@H]1CCC(CC1)N1CC[C@]2(CCCN(C2)C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1=O |r,wU:10.37,1.0,(1.92,-5.67,;3.01,-4.58,;2.61,-3.1,;3.7,-2.01,;5.19,-2.41,;5.59,-3.89,;4.5,-4.98,;6.28,-1.32,;7.82,-1.32,;8.29,.15,;7.05,1.05,;8.38,1.82,;8.38,3.36,;7.05,4.13,;5.71,3.36,;5.71,1.82,;4.38,4.13,;4.38,5.67,;3.05,3.36,;2.65,1.88,;1.16,2.27,;-.17,1.5,;-1.51,2.27,;-2.84,1.5,;-3.61,2.84,;-4.38,1.5,;-5.71,.73,;-7.05,1.5,;-8.38,.73,;-8.38,-.81,;-7.05,-1.58,;-5.71,-.81,;1.56,3.76,;5.8,.15,;4.47,.92,)|
O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCC(CC1)C#N
FC(F)(F)C1CCN(CC1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCCC(C1)Oc1ccccc1
COC1CCCN(C1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCC(CC1)(C#N)c1ccccc1
OC1(CCN(CC1)C(=O)N1CC(CNC2CC2c2ccccc2)C1)c1ccccc1
Fc1ccc2NCC3(CCN(CC3)C(=O)N3CC(CNC4CC4c4ccccc4)C3)c2c1
Fc1ccccc1NC(=O)N1CC(CNC2CC2c2ccccc2)C1
Fc1cccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)c1
Fc1ccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)cc1
COc1ccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)cc1
COc1cccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)c1
COc1ccccc1NC(=O)N1CC(CNC2CC2c2ccccc2)C1
O=C(N1CC(CNC2CC2c2ccccc2)C1)c1ccc(cc1)C#N
O=C(N1CC(CNC2CC2c2ccccc2)C1)c1cccc(c1)C#N
COc1cccc(c1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
Fc1ccc(cc1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
Fc1cccc(c1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CC(CNC2CC2c2ccccc2)C1
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)CCC1 |r|
N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r,wU:15.15,1.0,wD:4.7,(9.44,-.38,;8.11,.39,;6.77,-.38,;5.44,.39,;5.44,1.93,;6.77,2.7,;8.11,1.93,;4.1,2.69,;4.1,4.23,;2.77,1.93,;2.77,.38,;1.44,-.38,;.1,.38,;-1.23,-.38,;-2.56,.38,;-3.9,-.38,;-4.67,.95,;-5.44,-.38,;-6.77,-1.15,;-8.11,-.38,;-9.44,-1.15,;-9.44,-2.69,;-8.11,-3.47,;-6.77,-2.69,;.1,-1.15,;1.44,-1.93,;1.44,-3.46,;2.77,-4.23,;4.1,-3.46,;5.44,-4.23,;4.1,-1.93,;2.77,-1.15,;.1,1.93,;1.44,2.69,)|
NC1(CCC1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCCC2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@@H]1CCCN1C |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cn(C)cn1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccc(N)nn1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1CCN(C)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(C)n1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCN(C)CC1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
Cn1ccc(n1)C(=O)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
Cn1cnc(c1)C(=O)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnc(N)nc1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccc(N)nn1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1c[nH]nc1N |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1(N)CCCC1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(CC#N)cc3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(CC#N)cc3)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(cc3)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CCC1 |r|
OC(=O)[C@H]1CC[C@H](CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CC1 |r,wU:14.13,3.2,wD:6.6,(8.82,.36,;8.82,1.9,;10.15,2.67,;7.49,2.67,;6.1,1.92,;4.77,2.7,;4.77,4.23,;3.44,5,;2.1,4.23,;2.1,2.69,;.77,1.92,;-.56,2.69,;-1.9,1.92,;-3.23,2.69,;-4.56,1.92,;-5.33,3.26,;-6.1,1.92,;-7.44,1.15,;-8.77,1.92,;-10.11,1.15,;-10.11,-.39,;-8.77,-1.16,;-7.44,-.39,;-.56,1.15,;.77,.38,;2.1,1.15,;3.44,.38,;3.44,-1.16,;2.1,-1.98,;.77,-1.16,;2.1,-3.52,;2.1,-5.06,;-.56,4.23,;.77,5,;6.1,5.01,;7.44,4.23,)|
COc1cccc(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C(O)=O)CC2)c1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC[C@@H](O)C1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC[C@H](O)C1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(Cc2ccc(cc2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccc(F)cc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2F)CCN(CC2(CCC2)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccc(F)c(F)c2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
COCC1(CNC2CC2c2ccccc2OC)CCN(CC2(CCC2)C(O)=O)CC1
COCC1(CNC2CC2c2ccc(OC)cc2)CCN(CC2(CCC2)C(O)=O)CC1
COCC1(CCN(CC2(CCC2)C(O)=O)CC1)C(C)N[C@@H]1C[C@H]1c1ccccc1 |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cn1 |r|
CCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
CCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(cc3F)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3F)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3F)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(F)c3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(F)c3)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(c3)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3F)C#N)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3C#N)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(c3)C#N)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3)C#N)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3F)C#N)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(F)cn3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ncc(F)cn3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ncccc3F)CC2)CC1 |r|
CNC(=O)c1ccc(OCC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cn1 |r|
CNC(=O)c1cccc(OCC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)n1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCC3CCC3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCC3CCC3)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COC3CCCCC3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COC3CCCCC3)CC2)CCC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cn3)CC2)CC1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cn3)CC2)CCC1 |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cc1 |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CCC3)C(O)=O)CC2)cc1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@H]1CC[C@H](CO)CC1 |r,wU:6.5,22.24,wD:25.28,(-.63,-4.07,;-.1,-2.63,;-1.09,-1.45,;-.56,,;-1.9,-.77,;-3.23,,;-4.56,-.77,;-5.33,.56,;-6.1,-.77,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-10.11,-3.08,;-8.77,-3.85,;-7.44,-3.08,;.77,-.77,;2.1,,;2.1,1.54,;.77,2.31,;-.56,1.54,;3.44,2.31,;3.44,3.85,;4.77,1.54,;6.1,2.31,;7.44,1.54,;7.44,,;8.77,-.77,;10.11,,;6.1,-.77,;4.77,,)|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@@H]1CC[C@H](CO)CC1 |r,wU:6.5,22.24,25.28,(-.63,-4.07,;-.1,-2.63,;-1.09,-1.45,;-.56,,;-1.9,-.77,;-3.23,,;-4.56,-.77,;-5.33,.56,;-6.1,-.77,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-10.11,-3.08,;-8.77,-3.85,;-7.44,-3.08,;.77,-.77,;2.1,,;2.1,1.54,;.77,2.31,;-.56,1.54,;3.44,2.31,;3.44,3.85,;4.77,1.54,;4.77,,;6.1,-.77,;7.44,,;8.77,-.77,;10.11,,;7.44,1.54,;6.1,2.31,)|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1(CC1)C#N |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(CCO)c1 |r|
COCCn1cc(cn1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(C)c1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(CCC#N)c1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(CCC#N)n1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(CCO)n1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC[C@@H](O)C1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC[C@H](O)C1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC(O)C1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC(O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC(CC1)OC |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1cnn(C)c1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccnn1C |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1 |r|
Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCOCC1
CN1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(Nc3cc(Cl)ccc3O)nc2c1
Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCNCC1
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(F)cc1 |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1F)C#N |r|
Clc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1cnn(c1)C1CCC1 |r|
Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)|
CCC1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:5|
CC(C)(C)OC(=O)N1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:10|
Cn1ncc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(cc1)N1CCOCC1 |r|
CN1CCOc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCOc2ccc(cc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc2OCCOc2c1 |r|
N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CN2CCOCC2)cc1 |r|
N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CCN2CCOCC2)cc1 |r|
CN1CCN(Cc2ccc(cc2)-c2c(cc(OC[C@@H]3CCNC3)c3cncn23)-c2ccc(cc2)C#N)CC1 |r|
CN1CC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
CN1C(=O)Cc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)ncc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)n(C)c4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)cnc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncccc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)nc(C)c4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncsc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4scnc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4sc(C)nc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CC(O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CC(C)(C)O)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3cncc23)C1 |r|
COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
COC(=O)N(C)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
COC(=O)N(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2cnc3n(C)ncc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)n2cncc12
COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3cccnc3c2)n2cncc12
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4cccnc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
COc1ncc(cc1N)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
COc1ncc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3cncc23)C1 |r|
COc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
COC(=O)N(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(O)c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(cc3)C(C)(C)O)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(N4CCOCC4)c(F)c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
CN(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
CN(C)C(=O)N(C)Cc1ccc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)cnc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)n2cncc12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
COC(=O)N(C)c1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)n2cncc12
COc1ncc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2CO)n2cncc12 |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-6.67,3.85,;-8,4.62,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;,-1.54,;.32,-3.05,;1.85,-3.21,;2.48,-1.8,;1.33,-.77,)|
COc1ncc(cc1C)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
COC(=O)N(C)c1ccc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
COC(=O)N(C)c1ccc(cc1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
COC(=O)N(C)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(F)c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(OC(F)F)nc2)n2cncc12
CCOc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)ncc3c2)n2cncc12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccoc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)cnc3c2)n2cncc12
CCn1c2ccc(cc2oc1=O)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)n2cncc12 |(8,3.81,;6.67,4.58,;6.67,6.12,;5.33,3.81,;5.33,2.27,;4,1.5,;2.67,2.27,;2.67,3.81,;4,4.58,;1.33,1.5,;,2.27,;-1.33,1.5,;-2.67,2.27,;-2.67,3.81,;-4,4.58,;-5.33,3.81,;-5.33,2.27,;-4,1.5,;-6.67,4.58,;-8,5.35,;-1.33,-.04,;-2.67,-.81,;-4,-.04,;-5.33,-.81,;-5.33,-2.35,;-6.48,-3.38,;-7.97,-2.98,;-5.85,-4.79,;-6.62,-6.12,;-4.32,-4.63,;-3.23,-5.71,;-4,-3.12,;-2.67,-2.35,;-1.33,-3.12,;,-.81,;.32,-2.32,;1.85,-2.48,;2.48,-1.07,;1.33,-.04,)|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)|
CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12 |r|
CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
CCn1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
CC(O)c1ccc(cc1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CC(O)c1c(F)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
CC(O)c1c(C)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)C#N)n3cncc23)C1 |r|
CCc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnn(c3)C3CCC3)n3cncc23)C1 |r|
CNC(=O)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c3n(C)c(=O)n(C)c3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnn(c2)C2CCC2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(c2)C(F)F)n2cncc12
CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(CO)c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(nc3c2)C(F)F)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccccc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3ncccc3c2)n2cncc12
CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
COCc1cc(cnc1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
COc1ncc(cc1C#N)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CO)c(C)c2)n2cncc12
COc1ncc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)O)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(C)nc4c3)n3cncc23)C1 |r|
CN1Cc2cc(ccc2C1=O)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CC(C)n1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(nnc4c3)C3CC3)n3cncc23)C1 |r|
CC(C)c1nc2cc(cnc2n1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(nc4c3)C3CC3)n3cncc23)C1 |r|
Cc1nnc(NC(=O)c2cc(C3CC3N)c(C)s2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c(C)s2)s1
Cn1nc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cn1nc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(C3CC3N)c3ccccc3c2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c3ccccc3c2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Cc1sc(cc1C1CC1NCC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2N)s1
Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CCOCC1
Cc1ncc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2NCC2CCOCC2)s1
Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
Cc1sc(cc1C1CC1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
Cc1sc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CCOCC1
Cc1sc(cc1C1CC1N)C(=O)Nc1cnn(C)c1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NC1CCOCC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1
O=C(NC1CCOCC1)c1csc(c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NC2CCC2)s1
Cn1cc(NC(=O)c2csc(c2)C2CC2NC2CCC2)cn1
FC1(F)CCC(CC1)NC(=O)c1nc(cs1)C1CC1NCC1CC1
FC1(F)CCC(CC1)NC(=O)c1ccc(s1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCOCC1 |r|
NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wU:10.12,wD:8.8,(10.25,-.24,;8.76,-.64,;8.36,-2.13,;6.87,-2.53,;5.78,-1.44,;6.18,.05,;7.67,.45,;4.3,-1.84,;3.21,-.75,;2.12,-1.84,;1.72,-.35,;.39,.42,;-1.08,-.05,;-1.98,1.19,;-1.08,2.44,;.39,1.96,;-3.52,1.19,;-4.29,2.53,;-4.29,-.14,;-5.83,-.14,;-6.6,1.19,;-8.14,1.19,;-8.91,-.14,;-10.25,.63,;-10.25,-.91,;-8.14,-1.48,;-6.6,-1.48,)|
FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
Cc1nn(C)cc1NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1
Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1
Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1
Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1
O=C(NC1CCOCC1)c1cc(cs1)C1CC1NC1CCC1
O=C(NC1CCOCC1)c1cc(cs1)C1CC1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1
Cc1sc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CCOCC2)s1
O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NC1CCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NCC1CC1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NC1CCC1 |r|
O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NCC1CC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCN(CC2)C2CC2)s1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
CCn1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)cn1 |r|
CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1 |r|
Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)c(C)s2)s1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r|
Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)NC1CCOCC1 |r|
Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2N)s1 |r|
O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1 |r|
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1ccn(C)c1 |r|
O=C(NOc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NOCc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NS(=O)(=O)c1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NOCc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
O=C(NS(=O)(=O)c1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
CN(C(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O |r|
CC(C)S(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2CC2c2ccccc2)cc1 |r|
O=C(NOCc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NOc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NS(=O)(=O)Cc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CN(C(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O |r|
O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Fc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1 |r|
O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(C)S(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
O=C(NS(=O)(=O)C1CC1)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
CN(C(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(F)c2)c(=O)n1C
CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#CC2CCCC2)c1=O)N1CCC(N)CC1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(N)=O)c1=O)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3occc3c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(Cl)c1=O)N1CCC(N)CC1
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
COc1ccc(cc1F)-c1c(nc(N2CCC3(CCNC3)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)C(F)(F)F)c1=O)N1CCC(N)CC1
Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
COc1ccc(cc1F)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc(N2CC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc(N2CCC(C)(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(cc2)C#N)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1c(F)cc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)C(O)=O)c1=O)N1CCC(N)CC1
CNC(=O)c1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Cn1c(nc(-c2ccc(cc2)C#N)c(-c2ccc(C(N)=O)c(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3C(=O)NCc3c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cccc(c2)C(O)=O)c1=O)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
CN(C)c1ncc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(N(C)C2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N(C)C[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
CN(C)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)nc2)c(=O)n1C
CN(C)c1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N2CCCC2)c1=O)N1CCC(N)CC1
COc1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
CN(C)c1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nn(C)cc3c2)c(=O)n1C
Cn1cc2cc(ccc2n1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CN(C)c1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N2CCOCC2)c1=O)N1CCC(N)CC1
COc1ccc(cc1)-c1c(nc(N2CC(CN)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CNCC1CN(C1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nn(C)cc3c2)c(=O)n1C
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc3[nH]ccc3c2)c1=O)N1CCC(N)CC1
Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cc[nH]c3c2)c1=O)N1CCC(N)CC1
Cn1ccc2ccc(cc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn[nH]c3c2)c1=O)N1CCC(N)CC1
COc1ccc(cc1)-c1c(nc(N2CC[C@@H](N)[C@@H](F)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(nc(N2CC[C@H](N)[C@H](F)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn(C)nc3c2)c(=O)n1C
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2cnc(nc2)N(C)C)c(=O)n1C
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N(C)C)c(=O)n1C
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn[nH]c3c2)c(=O)n1C
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc3[nH]ncc3c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(N)cc2)c1=O)N1CCC(N)CC1
CNc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
CNc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
CCOc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
CCOc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
CCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
COCCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(CCO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(CO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(F)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2cccc(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2cc(F)cc(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(F)c(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(cc2)S(C)(=O)=O)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(Cl)cc2)c1=O)N1CCC(N)CC1
COCc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(Cl)c(F)c1
Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(O)cc1
Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(F)cc1
Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccccc1
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
COc1ccc(cc1)-c1nc(N2CCC(N)CC2)n(C)c(=O)c1-c1ccc2n(C)ccc2c1
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1cccc(c1)C#N
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccccc1C#N
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)C#N
COc1ccc(cc1)-c1c(nc([nH]c1=O)N1CCC(N)CC1)-c1ccc([N+]#[C-])c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc([N+]#N)c(F)c1
Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(Cl)c1=O)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(nc(N2CCC(C)(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3[nH]ncc3c2)c1=O)N1CCC(N)CC1
CNc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CNc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n(C)c1=O)-c1ccc(C#N)c(F)c1
CCOc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(cc2)C#N)c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
COCCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(CO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cccc(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cc(F)cc(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(F)c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)S(C)(=O)=O)c1=O)N1CCC(N)CC1
COc1ccc(cc1)-c1c(nc([nH]c1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
Cn1ccc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)CC1
Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2NCCC2C1
Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N
FC(F)(F)Cn1cc(cn1)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1nc(sc1-c1cnn(CC2CC2)c1)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@H](N)C1 |r|
Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC(N)CC1
Cc1ccc(cc1)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N |r|
N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N |r|
NC1CCN(CC1)c1cc(=O)n(-c2ccc(cc2)C2CC2)c(n1)-c1ccc(C#N)c(F)c1
Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2NCCC2C1
Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2CNCC2C1
Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2(CCNC2)CC1
COc1ccc(cc1F)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(=O)n(-c2ccc(C3CC3)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(CCC2CCNC2)c2nccn12)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(CO[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN(C)[C@@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN(C)[C@@H]1CCN(CCc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN1CCC(C1)Oc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
CN(C)CCCOc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Cc1ccc(cc1)-c1c(nc(SC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
CN(C)CCCN(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
CN1CCCC1CCNc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
CN1CCC(CC1)Nc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
CN1CCCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
Cc1ccc(cc1)-c1c(nc(N2CCC3(CCNC3)C2)c2nccn12)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC3(CNC3)CC2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
CN(C)[C@@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12 |r|
CN(C)[C@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12 |r|
Cc1ccc(cc1)-c1c(nc(NCCc2csc(N)n2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
Cc1ccc(cc1)-c1c(nc(C(=O)NCC2CNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
CN1CC(C1)NC(=O)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
[C-]#[N+]c1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccccc1 |r|
Clc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
FC(F)(F)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccc(cc1)N1CCCCC1 |r|
COc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)c1ncc(cn1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(cn12)C(F)(F)F)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CC#N)cn12)-c1ccc(cc1)C#N |r|
CNC(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
CN(C)C(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(cn12)C(=O)NC1CC1)-c1ccc(cc1)C#N |r|
CN1CC(C1)NC(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CO)cn12)-c1ccc(cc1)C#N |r|
CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CN3CCC3)cn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNCC3CC3)cn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNc3ccon3)cn12)-c1ccc(cc1)C#N |r|
CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCN(C)C3)c2n1)-c1ccc(cc1)C#N |r|
CN(C)CCc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4OCCOc4c3)n3ccnc23)C1 |r|
CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(CC1CCCO1)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4scnc4c3)n3ccnc23)C1 |r|
CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3ccnc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)COc3c2)n2ccnc12
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3ccnc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2ccnc12 |(8.62,2.83,;7.29,3.6,;7.29,5.14,;5.96,2.83,;5.96,1.29,;4.62,.52,;3.29,1.29,;3.29,2.83,;4.62,3.6,;1.95,.52,;.62,1.29,;-.71,.52,;-2.05,1.29,;-3.38,.52,;-4.71,1.29,;-4.71,2.83,;-3.38,3.6,;-2.05,2.83,;-6.05,3.6,;-7.38,4.37,;-.71,-1.02,;-2.05,-1.79,;-3.38,-1.02,;-4.71,-1.79,;-6.18,-1.31,;-7.08,-2.56,;-8.62,-2.56,;-6.18,-3.81,;-6.95,-5.14,;-4.71,-3.33,;-3.38,-4.1,;-2.05,-3.33,;-.71,-4.1,;.62,-1.79,;.94,-3.3,;2.47,-3.46,;3.1,-2.05,;1.95,-1.02,)|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3ccnc23)C1 |r|
Cn1c2ccc(cc2oc1=O)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Cn1ncc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(=O)oc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCOC2=O)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)nc(N)c3c2)n2ccnc12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(c3)C#N)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CN4CCN(CC4)S(C)(=O)=O)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CCC(O)c4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)cc3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3)n3ccnc23)C1 |r|
COC(=O)N(C)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
COC(=O)N(C)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4C(O)CCc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)c(F)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3ccnc23)C1 |r|
COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CC(O)c1ccc(cc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CC(O)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4CCC(O)c4c(F)c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3F)n3ccnc23)C1 |r,wD:5.5,(10,.39,;8.67,1.16,;8.67,2.7,;7.34,3.47,;6,2.7,;6,1.16,;4.67,.39,;3.33,1.16,;2,.39,;.67,1.16,;-.67,.39,;-2,1.16,;-2,2.7,;-3.33,3.47,;-4.72,2.72,;-4.67,1.16,;-3.33,.39,;-6.05,3.49,;-7.38,4.26,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-4.67,-1.93,;-4.67,-3.47,;-6,-4.24,;-7.34,-3.47,;-7.34,-1.93,;-8.67,-1.16,;-10,-1.93,;-10,-3.47,;-8.67,-4.24,;-3.33,-4.24,;-2,-3.47,;-.67,-4.24,;.67,-1.93,;.99,-3.43,;2.52,-3.59,;3.15,-2.19,;2,-1.16,;7.34,.39,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3CO)n3ccnc23)C1 |r,wD:5.5,(8.67,1.15,;7.34,1.93,;7.34,3.47,;6,4.23,;4.67,3.47,;4.67,1.93,;3.33,1.15,;2,1.93,;.67,1.15,;-.67,1.93,;-2,1.15,;-3.33,1.93,;-3.33,3.47,;-4.67,4.23,;-6.05,3.49,;-6,1.93,;-4.67,1.15,;-7.38,4.26,;-8.72,5.03,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-6,-2.69,;-7.34,-3.47,;-4.67,-3.47,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-.67,-1.15,;-.35,-2.66,;1.18,-2.82,;1.81,-1.42,;.67,-.38,;6,1.15,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CC#N)c3)n3ccnc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3CCC(O)c3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(C)c(CO)c(F)c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)n2ccnc12
CN(C)C1CCCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCN(C)C2=O)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(CO)cc3c2)n2ccnc12
CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12 |r|
CCn1c2ncc(cc2oc1=O)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)cnc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(=O)N(C)c3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCN(C)C(=O)C2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)nc(CO)c3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)Cc3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)n2ccnc12
C[C@@H](O)c1nc2cc(ccc2n1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N |r|
C[C@H](O)c1nc2cc(ccc2n1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(C)nc3c2)n2ccnc12
COc1cc(cnc1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(c3)C#N)n3ccnc23)C1 |r|
COc1ncc(cc1O)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
COc1ncc(cc1O)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(CCC2CCNC2)c2ncnn12)-c1ccc(cc1)C#N
CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
CNCc1cccc(c1)-c1cc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ncnc12
Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCC(N)C3)c2)c2ncnn12)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(cc(CN2CCNCC2)c2ncnn12)-c1ccc(cc1)C#N
CN1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)CC1
CN(C)[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
CN(C)[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
CN[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
CN[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
Cc1ccc(cc1)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
Clc1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
Clc1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1cc2n(C[C@@H]3CCNC3)ccc2nc1N1CCOCC1 |r|
N#Cc1ccc(cc1)-c1cc2n(C[C@H]3CCNC3)ccc2nc1N1CCOCC1 |r|
FC1(Cn2ccc3nc(N4CCOCC4)c(cc23)-c2ccc(cc2)C#N)CCNC1
Cc1ccc(cc1)-c1nc2ccn(CC3(F)CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1nc2ccn(C[C@H]3CNCCO3)c2cc1-c1ccc(cc1)C#N |r|
Fc1ccc(cc1)-c1nc2ccn(C[C@H]3CNCCO3)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1nc2ccn(CCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1nc2cnn(CC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1nc2cnn(CC3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1nc2cnn(C[C@H]3[C@@H]4CNC[C@H]34)c2cc1-c1ccc(cc1)[N+]#[C-] |r|
Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r|
N#Cc3ccc(c2nc(NC[C@H]1CCNC1)ncc2Cl)cc3
N#Cc4ccc(c2nc(NC[C@H]1CCNC1)ncc2c3ccc(F)cc3)cc4
N#Cc4ccc(c2nc(NC[C@H]1CCNC1)ncc2c3ccc(Cl)cc3)cc4
Cc1ccc(cc1)-c1cnc(OC[C@@H]2CCNC2)nc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1C[C@@H]2CNC[C@@H]2C1 |r|
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
Fc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
N#Cc4ccc(c2nc(NC[C@H]1CCNC1)ncc2c3ccc(C(F)(F)F)cc3)cc4
N#Cc4ccc(c2nc(NC[C@H]1CCNC1)ncc2C#CC3CC3)cc4
Cc5ccc(c3cnc(N[C@@H]2C[C@H]1CNC[C@H]1C2)nc3c4ccc(C#N)cc4)cc5
Cc4ccc(c2cnc(NCC1(F)CCNC1)nc2c3ccc(C#N)cc3)cc4
Cc4ccc(c2cnc(NC1CCCNC1)nc2c3ccc(C#N)cc3)cc4
Cc4ccc(c2cnc(NC1CCNCC1)nc2c3ccc(C#N)cc3)cc4
Cc4ccc(c2cnc(NCC1CCCNC1)nc2c3ccc(C#N)cc3)cc4
Cc4ccc(c2cnc(NCC1CCNCC1)nc2c3ccc(C#N)cc3)cc4
Cc4ccc(c2cnc(NCC1CNCCO1)nc2c3ccc(C#N)cc3)cc4
N#Cc4ccc(c2nc(NCC1CNCCO1)ncc2c3ccc(F)cc3)cc4
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)C1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(C1)CCNCC2
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC2CCNCC2C1
Cc5ccc(c3cnc(N2CCC1NCCC1C2)nc3c4ccc(C#N)cc4)cc5
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)CC1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CCCN2)CC1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC2CNCC(C1)O2
Fc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CC2CNCC(C1)O2
Cc1ccc(cc1)-c1cc(NCC2CCNC2)nn1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc(NC[C@H]2CCNC2)nn1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc(NC[C@@H]2CCNC2)nn1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc(NCC2CCNCC2)nn1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc(NC[C@H]2[C@@H]3CNC[C@H]23)nn1-c1ccc(cc1)[N+]#[C-] |r|
Cc5ccc(c3nc2cnn(C1CCNCC1)c2cc3c4ccc(C#N)cc4)cc5
COc1ccc(cc1)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(cc1)C#N |r|
COc1ccc(cc1)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1nc2ccn(C[C@@H]3CCNC3)c2cc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1nc2ccn(C[C@H]3CCNC3)c2cc1-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccccn2)n(n1)-c1ccc(cc1)C#N |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2cccnc2)n(n1)-c1ccc(cc1)C#N |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccncc2)n(n1)-c1ccc(cc1)C#N |r|
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2NCCC2C1
NC1CCN(CC1)c1ncc(-c2cnn(CC(F)(F)F)c2)c(n1)-c1ccc(cc1)C#N
FC(F)(F)Cn1cc(cn1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)CC1
FC(F)(F)Cn1cc(cn1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2NCCC2C1
Cn1ncc2cc(cnc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2cc(cnc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2CC1
Cn1cnc2cc(cnc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2nc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ncc2cc(ncc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(C#CC2(O)CCCC2)c(n1)-c1ccc(cc1)C#N
NC1CCN(CC1)c1ncc(-c2cnn(c2)C2CCOC2)c(n1)-c1ccc(cc1)C#N
Cn1nnc2cc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cc2cc(ncc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
COc1ncc(cn1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cc1nc2cc(ccc2n1C)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cc2ncc(cc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1ccc2nc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2cnn(CC3CCOC3)c2)c(n1)-c1ccc(cc1)C#N
NC1CCN(CC1)c1ncc(-c2ccc3n(cnc3c2)C(F)F)c(n1)-c1ccc(cc1)C#N
NC1CCN(CC1)c1ncc(-c2cnn(CC(F)(F)F)c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1ncc(-c2ccn3ncnc3c2)c(n1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
COc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
COc1ccc(cc1F)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cc2cc(cnc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cc2nc(ncc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cnc2cc(ccc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1ncc2nc(ncc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
CNC1CCN(CC1)c1ncc(-c2cnn(CC(F)(F)F)c2)c(n1)-c1ccc(C#N)c(F)c1
Cc1ncc(cn1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2ccc3nc[nH]c3c2)c(n1)-c1ccc(cc1)C#N
Cc1n(C)nc2ccc(cc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1nn(C)c2ccc(cc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(C#CC2(O)CCOC2)c(n1)-c1ccc(C#N)c(F)c1
Cn1nc2ccc(cc2c1N)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1nnc2cc(ccc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(C#CC2(O)CCOCC2)c(n1)-c1ccc(C#N)c(F)c1
Cn1nncc1C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1ccc(n1)C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cc(nn1)C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1ncc2cc(ccc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C(O)C1
Cn1cc(cn1)C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1O)c1ncc(-c2cnn(CC(F)(F)F)c2)c(n1)-c1ccc(C#N)c(F)c1
Cn1nnc2cc(c(F)cc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1nccc1C#Cc1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C(O)C1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCCC(N)C1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCNCC1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCCNCC1
Cn1ncc2cc(ccc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C(F)C1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C(F)C1
Cc1ccc(cc1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2(CNC2)CC1
Cc5ccc(c3cnc(N2CCC1CNCC1CC2)nc3c4ccc(C#N)cc4)cn5
Cn1ncc2cc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
Cn1ncc2cc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
N#Cc1ccc(cc1)-c1nc(ncc1-c1ccc2cn[nH]c2c1)N1CCC2CNCC2CC1
Cc1nn(C)cc1c4cnc(N3CCC2CNCC2CC3)nc4c5ccc(C#N)cc5
Cc5ccc(c3cnc(N2CC1CNCC(C1)C2)nc3c4ccc(C#N)cc4)cc5
Cn6ncc5cc(c3cnc(N2CC1CNCC(C1)C2)nc3c4ccc(C#N)cc4)ccc56
Cn1cnc2cc(ccc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
COc1ccc(cn1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2ccc(OCC3CC3)nc2)c(n1)-c1ccc(cc1)C#N
Cn1cnc2cc(c(F)cc12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cnc2cc(c(F)c(F)c12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2ccc3ncnn3c2)c(n1)-c1ccc(cc1)C#N
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cc2ccc(cc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cn1cnc2cc(c(F)c(F)c12)-c1cnc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2CC1
NC1CCN(CC1)c1ncc(-c2ccc(OCC(F)(F)F)nc2)c(n1)-c1ccc(cc1)C#N
Cn1cnc2cc(c(F)c(F)c12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cnc2cc(c(F)cc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CN(C)c1ncc(cn1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2cnc(nc2)N2CCCC2)c(n1)-c1ccc(C#N)c(F)c1
Cn1cnc2cc(cnc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cnc2cc(cnc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC2(CCNC2)CC1
Cc1nc2cc(ccc2n1C)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1nnc2cc(cnc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CNc1ncc(cn1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1ncc(-c2cnc(NC3CC3)nc2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1ncc(-c2cnn(c2)C2CCOCC2)c(n1)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)C1
Cn1ncc2cc(cnc12)-c1cnc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
N#Cc1ccc(cc1)-c1nc(ncc1-c1ccc2scnc2c1)N1CCC2CNCC2CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCCNCC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCCC(N)CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2cn(C)nc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2n(C)nnc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1cnn(CC(F)(F)F)c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2n(C)nnc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc(nc1)N(C)C)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1cnc(nc1)N(C)C)N1CCC(N)CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnc2n(C)nnc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(cc2)C#N)c1-c1cnc2n(C)nnc2c1)N1CCC(N)CC1
COc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnc2n(C)ncc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1C1=CC2C=NN(C)C2C=C1)N1CCC(N)CC1 |c:22,28,t:19|
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCCNCC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1C1=CC2C=NN(C)C2C=C1)N1CCC(N)CC1 |c:21,27,t:18|
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2n(C)nnc2c1)N1CCC(N)CC1
CCNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc2nn(C)cc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnn(CC(F)(F)F)c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnc(nc1)N(C)C)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(nc1)N(C)C)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2n(C)nnc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnc2n(C)nnc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CCCNCC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CCC(CC1)N(C)C
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1cnn(CC(F)(F)F)c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(C#N)c(F)c2)c1-c1cnc2n(C)ncc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1cnc2n(C)nnc2c1)N1CCC(N)CC1
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CC[C@@H](N)[C@@H](F)C1 |r|
CNc1nc(nc(-c2ccc(cc2)C#N)c1-c1ccc2nn(C)cc2c1)N1CC[C@H](N)[C@H](F)C1 |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2n[nH]c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(C)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC#N)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCC#N)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC3CCCC3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC3CCCO3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccn(C)n3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCN3CCOCC3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC(N)=O)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC(O)C(F)(F)F)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CC3CCNCC3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCOc3ccccc3)c(=O)n12)-c1ccc(cc1)C#N |r|
CN(C)CCn1nc2c(OC[C@@H]3CCNC3)cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n2c1=O |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccccc3)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(Cc3ccc(cc3)C#N)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2nn(CCO)c(=O)n12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nncn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2n[nH]c(=O)n12)-c1ccc(cc1)C#N |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CCC3)C(O)=O)CC2)cn1 |r|
NC1CC1c1ccc(cc1)C(=O)Nc1ccccc1
NC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
CN(C(=O)c1ccc(cc1)C1CC1N)c1ccccc1
NC1CC1c1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F
NC1CC1c1ccc(cc1)C(=O)Nc1cn[nH]c1
NC1CC1c1ccc(cc1)C(=O)NC1CCCCC1
NC1CC1c1ccc(cc1)C(=O)N1CCCCC1
O=C(Nc1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1N
CN(Cc1ccccc1)C(=O)c1ccc(cc1)C1CC1NCC1CC1
NC1CC1c1cccc(c1)C(=O)Nc1ccccc1
NC1CC1c1cccc(c1)C(=O)NCc1ccccc1
O=C(Nc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
O=C(NCc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Cc1cnc(CNC(=O)c2ccc(cc2)C2CC2NCC2CC2)cn1
O=C(NCc1ccccn1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccncc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccnc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCCc1ccccn1)c1ccc(cc1)C1CC1NCC1CC1
O=C(N1Cc2cccnc2C1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(cc1)C1CC1NCC1CC1
O=C(N(CC#N)Cc1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)C2CC2NCC2CC2)cc1
O=C(NCC(N1CCOCC1)c1ccccc1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(c1)C#N)c1ccc(cc1)C1CC1NCC1CC1
FC(F)(F)c1cccnc1CNC(=O)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccc(cc1)N1CCCC1=O)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1ccc(cc1)N1CCOCC1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc(Oc2cnccn2)c1)c1ccc(cc1)C1CC1NCC1CC1
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)C1CC1NCC1CC1
CC(C)(C)c1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
COc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
COc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc(cc1)C#N
COc1cccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
FC(F)(F)c1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)cc1
Fc1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
COc1ccc(F)c(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
COc1cc(Cl)ccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
CN(C)c1ccccc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1cccc(c1)C#N
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc2OCC(=O)Nc2c1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1ccc(cc1)-c1cnccn1
O=C(NCc1ccccc1)c1ccc(cc1)C1CC1NCc1cccs1
Cc1ccsc1CNC1CC1c1ccc(cc1)C(=O)NCc1ccccc1
Cc1ccc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)s1
Cc1csc(CNC2CC2c2ccc(cc2)C(=O)NCc2ccccc2)c1
NC1CC1c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ncccn1
Cn1cc(NC(=O)c2ccc(cc2)C2CC2N)cn1
O=C(Nc1ccc(cc1)-c1ncccn1)c1ccc(cc1)C1CC1NCC1CC1
Cn1cc(NC(=O)c2ccc(cc2)C2CC2NCC2CC2)cn1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(cc1)-c1ncccn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1cccc(c1)C(=O)NC1CCCC1
O=C(Nc1ccc(cc1)-c1ncccn1)c1cccc(c1)C1CC1NCC1CC1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(N1CCCC1)c1cccc(c1)C1CC1NCC1CC1
FC(F)(F)c1cccc(NC(=O)c2ccc(cc2)C2CC2NC2CCS(=O)(=O)CC2)c1
NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2N)s1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1cccc(c1)C(=O)NC1CCC(F)(F)CC1
NC1CC1c1cccc(c1)C(=O)NC1CCOCC1
CN(C(=O)c1cccc(c1)C1CC1N)c1ccccc1
NC1CC1c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncccn1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCC1=O
NC1CC1c1cccc(c1)C(=O)Nc1cnn(c1)-c1ccc(F)cc1
NC1CC1c1cccc(c1)C(=O)Nc1ccc(F)cc1
CCn1cc(NC(=O)c2cccc(c2)C2CC2N)cn1
NC1CC1c1ccc(F)c(c1)C(=O)NC1CCCC1
COc1ccc(cc1C(=O)NC1CCCC1)C1CC1N
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CC1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)s1
CN(C(=O)c1cccc(c1)C1CC1NCC1CC1)c1ccccc1
O=C(Nc1cccc(c1)-c1ncccn1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(cc1)N1CCCC1=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NCC1CCOCC1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CCS(=O)(=O)CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NCC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)Nc1cnn(c1)C(C)(C)C
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NCC2CC2)cn1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)on1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)sn1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)s1
FC1(F)CC(C1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)no1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)on1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)n(C)n1
FC(F)(F)CN1CCC(CC1)NC(=O)c1cccc(c1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(F)c(c2)C2CC2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NCC2CC2)s1
Fc1ccc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)s1
O=C(N1Cc2ccccc2C1)c1cccc(c1)C1CC1NCC1CC1
CC(C)(C)NC(=O)c1cccc(c1)C1CC1NCC1CC1
FC1(F)CC(CNC(=O)c2cccc(c2)C2CC2NCC2CC2)C1
O=C(NC1CCCCNC1=O)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCN(Cc2ccccc2)C1)c1cccc(c1)C1CC1NCC1CC1
O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C1CC1NCC1CC1
O=C(NCCc1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Fc1ccccc1NC(=O)c1cccc(c1)C1CC1NCC1CC1
Fc1cccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)c1
FC(F)(F)Oc1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
CS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
O=C(Nc1ccc(cc1)N1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)c1cccc(c1)C1CC1NCC1CC1
COc1cc(OC)nc(n1)-c1ccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cc1
O=C(Nc1ccc(Cc2ccccc2)cc1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1cccc(c1)-c1ccccc1)c1cccc(c1)C1CC1NCC1CC1
Cc1nc(cs1)-c1cccc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)c1
Cc1cc(C)nc(Sc2cccc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)c2)n1
O=C(Nc1cccc(c1)-c1nnc2CCCCCn12)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc(nc1)N1CCOCC1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(c1)C1CC1NCC1CC1
Cn1nc(cc1NC(=O)c1cccc(c1)C1CC1NCC1CC1)-c1cccs1
Fc1ccc(Oc2ccc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)cn2)cc1
O=C(Nc1nccs1)c1cccc(c1)C1CC1NCC1CC1
CCc1nsc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)n1
Cn1nc(cc1NC(=O)c1cccc(c1)C1CC1NCC1CC1)C(C)(C)C
Cc1noc(C)c1NC(=O)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2nccnc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2ncsc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]cnc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]ncc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2[nH]c(=O)sc2c1)c1cccc(c1)C1CC1NCC1CC1
O=C(Nc1ccc2n3CCCCCc3nc2c1)c1cccc(c1)C1CC1NCC1CC1
CCN1C(=O)COc2cc(NC(=O)c3cccc(c3)C3CC3NCC3CC3)ccc12
Oc1nc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)nc2CCCCc12
FC(F)(F)Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)cn1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CC2)sn1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CCOCC1
CC(C)(C)CNC1CC1c1cccc(c1)C(=O)NC1CC(F)(F)C1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)cn1
Cc1c(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)cnn1C
Cc1nn(C)cc1NC(=O)c1cccc(c1)C1CC1NCC(C)(C)C
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NCC(C)(C)C)s1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NCC1CC1
COc1ccc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2ccc(C)c(c2)C2CC2NCC2CC2)s1
COc1ccc(cc1C1CC1NCC1CC1)C(=O)Nc1nnc(C)s1
COc1cc(cc(c1)C(=O)Nc1nnc(C)s1)C1CC1NCC1CC1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)s1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)s1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCOCC1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2N(C2CCC2)C2CCC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC(F)(F)F)CC2)cn1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCCC2)cn1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC2)C2CC2)s1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NC1CCOCC1
FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCOCC1
O=C(NC1CCOCC1)c1cccc(c1)C1CC1NC1CCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2N)n(C)n1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)n(C)n1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC2)s1
Cc1nnc(NC(=O)c2ccc(C)c(c2)C2CC2NC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC(F)(F)CC2)cn1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCOCC1
O=C(Nc1ccc(cc1)-c1ncccn1)c1cccc(c1)C1CC1NC1CCS(=O)(=O)CC1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cn1
CC(C)(C)n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCN(CC2)C2CC2)cn1
Fc1ccc(cc1)-n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cn1
Fc1ccc(cc1)-n1cc(NC(=O)c2cccc(c2)C2CC2NC2CCS(=O)(=O)CC2)cn1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCS(=O)(=O)CC1
O=C(NC1CCCC1)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)NC1CCCC1
O=C(Nc1cnn(CC2CC2)c1)c1cccc(c1)C1CC1NC1CCC1
CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
FC(F)(F)CN1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
FC1(F)CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(CC2CC2)c1
Cn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)cn1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)cc1
FC1(F)CCC(CC1)NC(=O)c1cccc(c1)C1CC1NC1CCN(CC1)C1CC1
CCn1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)cn1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)s1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)s1
Cc1ncc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)s1
Fc1ccc(cc1C(=O)NC1CCCC1)C1CC1NC1CCOCC1
COc1ccc(cc1C(=O)NC1CCCC1)C1CC1NC1CCOCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)n(C)n1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC(F)(F)CC2)on1
Fc1ccc(Cn2cc(NC(=O)c3cccc(c3)C3CC3NC3CCOCC3)cn2)cc1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
CC(=O)N1CCC(CC1)NC1CC1c1cccc(c1)C(=O)Nc1cnc(s1)-c1ccc(F)cc1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)sn1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NC1CCOCC1
COc1ccc(cc1C(=O)Nc1nnc(C)s1)C1CC1NC1CCC(F)(F)CC1
Cc1nnc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC(F)(F)CC2)s1
Cc1nnc(NC(=O)c2ccc(F)c(c2)C2CC2NC2CCOCC2)s1
Cn1cc(NC(=O)c2cc(ccc2F)C2CC2NC2CCC2)cn1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NC1CCC1
COc1ccc(cc1C(=O)Nc1cnn(C)c1)C1CC1NC1CCC(F)(F)CC1
Cn1cc(NC(=O)c2ccc(F)c(c2)C2CC2NC2CCC2)cn1
Fc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NCC2CCOCC2)no1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCC2)no1
FC1(F)CC(C1)NC(=O)c1cccc(c1)C1CC1NC1CCC(F)(F)CC1
Cc1cc(NC(=O)c2cccc(c2)C2CC2NC2CCOCC2)on1
Cc1ccc(cc1C1CC1NCC1CC1)C(=O)Nc1cnn(C)c1
Cn1cc(NC(=O)c2ccc(F)c(c2)C2CC2NCC2CC2)cn1
Cc1ccc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
Cc1ccc(cc1C1CC1NC1CCCC1)C(=O)Nc1cnn(C)c1
Fc1ccc(cc1C1CC1NCC1CC1)C(=O)NC1CC(F)(F)C1
Fc1ccc(cc1C(=O)NC1CC(F)(F)C1)C1CC1NCC1CC1
Cc1nn(C)cc1NC(=O)c1cccc(c1)C1CC1NC1CCC(F)(F)CC1
NC1CC1c1cccc(c1)C(=O)NC1CCN(CC(F)(F)F)CC1
Cc1nnc(NC(=O)c2cc(F)ccc2C2CC2NC2CCN(CC2)C2CC2)s1
COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC |r|
COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
C1[C@H](NC2CCc3ccccc23)C1c1ccccc1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
FC(F)(F)c1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |r|
C(CC1CCCCC1)N[C@H]1CC1c1ccccc1 |r|
C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1 |r|
C(CC1CCCCCC1)N[C@H]1CC1c1ccccc1 |r|
Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1 |r|
COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1 |r|
Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1 |r|
Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCN(C2)C(=O)OC(C)(C)C)c2nncn12)-c1ccc(C#N)c(F)c1 |r|
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3[nH]ccc3c2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(N)cc2)c1=O)N1CCC(N)CC1
CCOc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
CCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(CCO)cc2)c1=O)N1CCC(N)CC1
Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(Cl)cc2)c1=O)N1CCC(N)CC1
COCc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
NC(=O)CNC1CC1c1ccc(OCc2ccccc2)cc1
NC(=O)CNC1CC1c1ccc(OCc2ccc(F)cc2)cc1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)C1CC1
OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)C(F)(F)F)nc1 |r,wU:10.12,wD:8.8,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,2.31,;5.54,3.08,;5.54,4.62,;6.87,5.39,;4.21,2.31,;2.87,3.08,;2.1,4.41,;1.33,3.08,;,2.31,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,;-1.33,,;,.77,)|
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)C(F)(F)F)nc1 |r,wU:12.14,wD:10.10,(10.21,3.85,;8.88,4.62,;8.88,6.16,;7.54,3.85,;7.54,2.31,;6.21,1.54,;4.87,2.31,;4.87,3.85,;6.21,4.62,;3.54,1.54,;2.21,2.31,;1.44,3.64,;.67,2.31,;-.67,1.54,;-2,2.31,;-3.33,1.54,;-3.33,,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-10,-2.31,;-8.67,-3.14,;-7.34,-2.31,;-8.67,-4.68,;-8.67,-6.22,;-10.21,-4.68,;-7.13,-4.68,;-2,-.77,;-.67,,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cc[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)C#N |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;-2.31,2.84,;-2.31,1.3,;-.97,.53,;.36,1.3,;.36,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;2.46,-5.42,;2.46,-6.96,;1.13,-7.73,;1.13,-9.27,;-.2,-6.96,;-.2,-5.42,;-3.64,8.23,;-4.98,9,)|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)C1CC1N[C@H]1CC[C@H](N)CC1 |r,wU:23.25,wD:26.29,(-.56,4.29,;.77,3.52,;2.1,4.29,;2.1,5.83,;3.44,6.6,;4.77,5.83,;6.1,6.6,;6.1,8.14,;6.1,9.68,;4.56,8.14,;7.64,8.14,;4.77,4.29,;3.44,3.52,;3.44,1.98,;4.77,1.21,;4.77,-.33,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,-2.64,;2.67,-3.97,;4.21,-3.97,;5.54,-4.74,;5.54,-6.28,;6.87,-7.05,;6.87,-8.59,;5.54,-9.36,;5.54,-10.9,;4.21,-8.59,;4.21,-7.05,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,wD:8.8,(11.91,3.85,;10.57,3.08,;10.57,1.54,;9.24,.77,;7.91,1.54,;7.91,3.08,;9.24,3.85,;6.57,.77,;5.24,1.54,;4.47,2.87,;3.7,1.54,;2.36,.77,;2.36,-.77,;1.03,-1.54,;-.3,-.77,;-.3,.77,;1.03,1.54,;-1.64,-1.54,;-1.64,-3.08,;-2.97,-3.85,;-4.3,-3.08,;-4.3,-1.54,;-5.95,-.59,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-2.97,-.77,)|
OC(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
COC(COc1ccccc1)CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
OC(CNc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN(CC(O)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 |r|
CC(O)(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
OC(COc1ccccc1)CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1 |r|
O[C@@H](COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O[C@H](COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
C(N1C[C@@H]2C[C@H](C1)[C@H]2N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 |r,TLB:0:1:7:4|
C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccccc1 |r|
C(COc1ccccc1)CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1 |r|
Brc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
C(COc1ccccc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1 |r|
COC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1 |r|
CONC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccc(cc1)N1CCOCC1 |r|
CN1CCN(CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1OCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CN1CCN(C1=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1COCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(=O)N1CCN(CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1CCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1CCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccc(cc1)N1CCCCC1 |r|
OC(COc1ccc(CC(O)=O)cc1)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 |r|
Brc1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
OC(COc1ccc(cc1)C(O)=O)CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
COC(=O)\C=C\c1ccc(OCC(O)CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
FC(F)(F)C(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC(N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C(=O)N1CCOCC1 |r|
O=C1N(CCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)C(=O)c2ccccc12 |r|
CC(C)S(=O)(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
COC(=O)\C=C\c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(CNS(C)(=O)=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Brc1ccc(OCCN2CCC(CC2=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
COC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccnc(C)c1 |r|
O=S(=O)(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1 |r|
O=C(C(Cc1ccccc1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1 |r|
CCOC(=O)CC(CC(=O)NCCOc1ccc(Br)cc1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1 |r|
OC(=O)Cc1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1CCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1OCCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1COCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(cc1)N1CCCCC1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(cc1)N1CCOCC1 |r|
CN1CCN(CC1)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1CCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1OCCN1c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CN1CCN(C1=O)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CS(=O)(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=S(=O)(NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 |r|
OC(=O)c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
OC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CC(=O)N1CCN(CC1)c1ccc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Brc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
Clc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 |r|
Clc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(Cl)c1 |r|
Fc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(F)c1 |r|
Fc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)c(F)c1 |r|
CS(=O)(=O)NC(=O)\C=C\c1ccc(OCC(O)CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccccn1 |r|
OC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NS(=O)(=O)C1CC1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C(NS(=O)(=O)c1ccccc1)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CS(=O)(=O)NC(=O)\C=C\c1ccc(OCCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
O=C1OCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
O=C1COCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
O=C1CCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
O=C1OCCCN1c1ccc(NCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
C(CN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)Oc1ccc(cc1)N1CCNCC1 |r|
CN1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
CC(=O)N1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)nc1 |r|
Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nc1 |r|
Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(Br)cc1 |r|
CS(=O)(=O)NC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CCS(=O)(=O)NC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)nc1 |r|
OC(=O)Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)N1CCCOC1=O |r|
OC(=O)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
O=C(Cc1ccc(cc1)-c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1)NS(=O)(=O)c1ccccc1 |r|
O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nc1 |r|
Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCCOC2=O)CC1 |r|
O=C1OCCCN1c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1 |r|
CS(=O)(=O)NC(=O)Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(C)nc2)CC1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C(C)=O |r|
Cc1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cn1 |r|
CS(=O)(=O)NC(=O)c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1 |r|
O=C1OCCCN1c1ccc(OCCN2CC(CN[C@@H]3C[C@H]3c3ccccc3)C2)cn1 |r|
O=C1CCc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1 |r|
O=C1Cc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1 |r|
Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ncnc2ccccc12 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1ccnc2ccccc12 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1cncnc1 |r|
Fc1cc(F)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
Clc1cc(Cl)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
Fc1cccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
Cc1cccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n1 |r|
Cc1ncc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cn1 |r|
CN(CCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)S(C)(=O)=O |r|
OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCCOC2=O)CC1 |r|
COCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Cc1cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n(C)n1 |r|
Cn1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)n1 |r|
CS(=O)(=O)NCCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1 |r|
CC(C)OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Cc1c(F)cc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1F |r|
Cc1nnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)s1 |r|
OC(=O)c1ccnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
CNS(=O)(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)S(C)(=O)=O |r|
O=S(=O)(NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)C1CC1 |r|
CN(C)C(=O)NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CONC(=O)C(C)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN([C@@H]1C[C@H]1c1ccccc1)C1CCN(CCOc2ccc(cc2)N2CCOC2=O)CC1 |r|
Fc1cc(Br)ccc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
C(CN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)Oc1cccnc1 |r|
O=C1COc2cc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)ccc2N1 |r|
O=c1[nH]c2ccc(OCCN3CCC(CC3)N[C@@H]3C[C@H]3c3ccccc3)cc2o1 |r|
Cc1cnc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)s1 |r|
OC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=COc1ccncc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
OC(=O)c1ccnc(NCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
O=COc1ccncc1NCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CS(=O)(=O)NC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCNCC1 |r|
O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)c1ccccc1 |r|
CN1CCN(CC1)C(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CCS(=O)(=O)NC(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=C(CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCSCC1 |r|
CN1CCN(CC1)C(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCNCC1 |r|
O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)N1CCOCC1 |r|
O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)c1ccccc1 |r|
OC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
O=C(CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)C1CC1 |r|
CCS(=O)(=O)NC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CS(=O)(=O)NC(=O)CCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
OC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 |r|
OC(=O)Cc1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c(F)c1 |r|
Cc1cc(CC(O)=O)ccc1OCCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
OC(=O)c1ccc(OCCN2CCC(CC2)N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)CCN1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1
Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NCC1CC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NCC1CCOCC1
Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)[C@@H]1C[C@H]1NC1CCOCC1
Cc1sc(cc1C(=O)NC1CCOCC1)[C@@H]1C[C@H]1NCC1CC1
Cc1nnc(NC(=O)c2cc(sc2C)[C@@H]2C[C@H]2NCC2CC2)s1
Cc1nnc(NC(=O)c2cc(sc2C)[C@@H]2C[C@H]2NCC2CCOCC2)s1
C1[C@H](NC2CCNCC2)[C@H]1c1ccccc1 |r|
C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
C(Oc1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1)c1ccccc1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
C(CC1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
Clc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCCC1CCOCC1 |r|
C1[C@H](NC2CCCNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CNC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CC3CCC(C2)N3)[C@H]1c1ccccc1 |r,TLB:2:3:6.7:10|
C1[C@H](NC2CCC3(CCNCC3)CC2)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CC3(C2)CCNCC3)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNC3CCCCC23)[C@H]1c1ccccc1 |r|
C1[C@H](NC2CCNCC2)[C@H]1c1cccnc1 |r|
C1[C@H](NC2CCNCC2)[C@H]1c1cncs1 |r|
Cc1ccccc1C1CC1NC1CCNCC1
Fc1ccccc1C1CC1NC1CCNCC1
Fc1ccc(cc1F)C1CC1NC1CCNCC1
COc1ccc(cc1)C1CC1NC1CCNCC1
Oc1ccc(cc1)C1CC1NC1CCNCC1
C1C(NC2CCNCC2)C1c1ccc2ccccc2c1
CC1(CC1NC1CCNCC1)c1ccccc1
C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNC1 |r|
Fc1ccccc1COc1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCNCC1 |r|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)C1CNC1 |r|
CS(=O)(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
NC(=O)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
CC1(C)CC(CC(C)(C)N1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CC(C)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
FC(F)(F)CN1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
C1[C@H](NC2CCN(CC2)c2ccncc2)[C@H]1c1ccccc1 |r|
Brc1ccc(cc1)[C@H]1C[C@@H]1NC1CCS(=O)(=O)CC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1)C1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1)C1CCNCC1 |r|
C(N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1)C1CCNCC1 |r|
CN1CCCC(COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)c3nccn23)C1
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)c3nccn23)C1 |r|
COc1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3)c3nccn23)C1 |r|
CN1C(=O)Cc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)ncc4c3)c3nccn23)C1 |r|
CN1CCN(Cc2ccc(cc2)-c2c(nc(OC[C@@H]3CCCN(C)C3)n3ccnc23)-c2ccc(cc2)C#N)CC1 |r|
CN1CCN(CC1)C(=O)Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CCN4CCOCC4)cc3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CC[C@@H](C4)C#N)cc3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)cnc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4cnn(C)c4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)c3nccn23)C1 |r|
CN(C)C(=O)C1Cc2cc(ccc2O1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3)c3nccn23)C1 |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)c3nccn23)C1 |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)c3nccn23)C1 |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)cnc4c3)c3nccn23)C1 |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)ncc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1 |r|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(F)c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)c3nccn23)C1 |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)cc3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)c2nccn12
CN(C)[C@@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)c2nccn12 |r|
CN1CCC2(CCN(C2)c2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1
COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COCCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)nc(N)c4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CN(C)C(=O)Oc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)n(C)c4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)c3nccn23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)ncc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)c2nccn12
COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
COc1ncc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)COc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(nc3c2)C(F)F)c2nccn12
COc1ncc(cc1C)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)c2nccn12 |(8.62,2.83,;7.29,3.6,;7.29,5.14,;5.96,2.83,;5.96,1.29,;4.62,.52,;3.29,1.29,;3.29,2.83,;4.62,3.6,;1.95,.52,;.62,1.29,;-.71,.52,;-2.05,1.29,;-2.05,2.83,;-3.38,3.6,;-4.76,2.86,;-4.71,1.29,;-3.38,.52,;-6.1,3.63,;-7.43,4.4,;-.71,-1.02,;-2.05,-1.79,;-3.38,-1.02,;-4.71,-1.79,;-6.18,-1.31,;-7.08,-2.56,;-8.62,-2.56,;-6.18,-3.81,;-6.95,-5.14,;-4.71,-3.33,;-3.38,-4.1,;-2.05,-3.33,;-.71,-4.1,;.62,-1.79,;.94,-3.3,;2.47,-3.46,;3.1,-2.05,;1.95,-1.02,)|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
COc1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c3n(C)c(=O)oc3c2)c2nccn12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(=O)oc3c2)c2nccn12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(C)nc3c2)c2nccn12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(nc4c3)C(F)F)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(C)nc4c3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(c2)C#N)c2nccn12
COC(=O)N(C)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)c2nccn12
COc1ncc(cc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(c3)C#N)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3CO)c3nccn23)C1 |r,wD:5.5,(8.67,1.15,;7.34,1.93,;7.34,3.47,;6,4.23,;4.67,3.47,;4.67,1.93,;3.33,1.15,;2,1.93,;.67,1.15,;-.67,1.92,;-2,1.15,;-3.33,1.92,;-4.67,1.15,;-6,1.92,;-6.05,3.49,;-4.67,4.23,;-3.33,3.46,;-7.38,4.26,;-8.72,5.03,;-2,-.39,;-3.33,-1.15,;-4.67,-.39,;-6,-1.15,;-6,-2.69,;-7.34,-3.47,;-4.67,-3.47,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-.67,-1.16,;-.35,-2.66,;1.18,-2.82,;1.81,-1.42,;.67,-.39,;6,1.15,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)c3nccn23)C1 |r|
COC(=O)N(C)c1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)C(=O)C1COc2ccc(cc2O1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCCc4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CCC(=O)N(C)c4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)c(F)c3)c3nccn23)C1 |r|
COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(N(C)C)c(F)c2)c2nccn12
Cn1c2ccc(cc2oc1=O)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N)S(C)(=O)=O |r|
CN(C)C(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)C(=O)N(C)Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COC(=O)N(C)Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COc1ncc(cc1Cl)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(C)c(CO)c(F)c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c(CO)c(F)c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CO)c(C)c2)c2nccn12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(Cl)c3)c3nccn23)C1 |r|
CC(O)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COCc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3F)c3nccn23)C1 |r,wD:5.5,(10,.38,;8.67,1.15,;8.67,2.69,;7.33,3.47,;6,2.69,;6,1.15,;4.67,.38,;3.33,1.15,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-2,2.69,;-3.33,3.47,;-4.72,2.72,;-4.67,1.15,;-3.33,.38,;-6.05,3.49,;-7.38,4.26,;-.67,-1.15,;-2,-1.93,;-3.33,-1.15,;-4.67,-1.93,;-4.67,-3.47,;-6,-4.23,;-7.34,-3.47,;-7.33,-1.93,;-8.67,-1.15,;-10,-1.93,;-10,-3.47,;-8.67,-4.23,;-3.33,-4.23,;-2,-3.47,;-.67,-4.23,;.67,-1.93,;1.23,-3.52,;2.77,-3.52,;3.25,-2.06,;2,-1.15,;7.33,.38,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(c3)C#N)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CN(C)C(=O)N(C)C)c(F)c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CN3CCOCC3)c(F)c2)c2nccn12
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)c3nccn23)C1 |r|
CN(C)[C@@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)c2nccn12 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(Cl)c3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(Cl)c2)c2nccn12
COc1ncc(cc1Cl)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
COc1ncc(cc1C#N)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
COC(=O)N(C)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CCc1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CC(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)c3nccn23)C1 |r|
CN(C)[C@@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(C)c(CO)c(F)c2)c2nccn12 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2CO)c2nccn12 |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.38,3.11,;-5.33,1.54,;-4,.77,;-6.72,3.88,;-8.05,4.65,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;,-1.54,;.56,-3.14,;2.1,-3.14,;2.58,-1.68,;1.33,-.77,)|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)nc2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(F)c2)c2nccn12
COC(=O)N(C)c1ccc(cc1)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N(C)S(C)(=O)=O)c2nccn12
COC(=O)N(C)c1ccc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CCOc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CC(C)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(cc1)C#N
CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3CO)c3nccn23)C1 |r,wD:6.6,(8.67,-.39,;8.67,1.15,;7.34,1.93,;7.34,3.47,;6,4.23,;4.67,3.47,;4.67,1.93,;3.33,1.16,;2,1.93,;.67,1.16,;-.67,1.93,;-2,1.16,;-3.33,1.93,;-3.33,3.47,;-4.67,4.24,;-6.05,3.49,;-6,1.93,;-4.67,1.16,;-7.38,4.26,;-8.72,5.03,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-6,-2.69,;-7.34,-3.46,;-4.67,-3.46,;-3.33,-2.69,;-2,-3.47,;-2,-5.01,;-.67,-1.15,;-.1,-2.75,;1.44,-2.75,;1.91,-1.29,;.67,-.38,;6,1.16,)|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3scnc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(O)c3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)c2nccn12
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CCC(O)c4c3)c3nccn23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)c3nccn23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)c2nccn12 |(8.62,2.91,;7.29,3.68,;7.29,5.22,;5.96,2.91,;5.96,1.37,;4.62,.6,;3.29,1.37,;3.29,2.91,;4.62,3.68,;1.95,.6,;.62,1.37,;-.71,.6,;-2.05,1.37,;-2.05,2.91,;-3.38,3.68,;-4.76,2.93,;-4.71,1.37,;-3.38,.6,;-6.1,3.7,;-7.43,4.47,;-.71,-.94,;-2.05,-1.71,;-2.05,-3.25,;-3.38,-4.02,;-4.71,-3.25,;-6.18,-3.73,;-6.58,-5.22,;-7.08,-2.48,;-8.62,-2.48,;-6.18,-1.24,;-6.58,.25,;-4.71,-1.71,;-3.38,-.94,;-4.71,-.17,;.62,-1.71,;1.18,-3.31,;2.72,-3.31,;3.2,-1.85,;1.95,-.94,)|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c3n(C)c(=O)n(C)c3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3n(C)c(=O)n(C)c3cc2F)c2nccn12 |(8.62,2.91,;7.29,3.68,;7.29,5.22,;5.96,2.91,;5.96,1.37,;4.62,.6,;3.29,1.37,;3.29,2.91,;4.62,3.68,;1.95,.6,;.62,1.37,;-.71,.6,;-2.05,1.37,;-2.05,2.91,;-3.38,3.68,;-4.76,2.93,;-4.71,1.37,;-3.38,.6,;-6.1,3.7,;-7.43,4.47,;-.71,-.94,;-2.05,-1.71,;-3.38,-.94,;-4.71,-1.71,;-6.18,-1.24,;-6.58,.25,;-7.08,-2.48,;-8.62,-2.48,;-6.18,-3.73,;-6.58,-5.22,;-4.71,-3.25,;-3.38,-4.02,;-2.05,-3.25,;-.71,-4.02,;.62,-1.71,;1.18,-3.31,;2.72,-3.31,;3.2,-1.85,;1.95,-.94,)|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(=O)N(C)c3c2)c2nccn12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(c2)C(F)F)c2nccn12
C[C@@H](O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
C[C@H](O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)c3nccn23)C1 |r|
Cn1c2ccc(cc2oc1=O)-c1c(nc(OC[C@@H]2CCCN(CC(C)(C)O)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
C[C@@H](O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1 |r|
C[C@H](O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)c3nccn23)C1 |r|
Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CC(C)(C)O)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
CC(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
COC(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
CN(C)C(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
CS(=O)(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
CN1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
N#CCC1(CNC2CC2c2ccccc2)CCNCC1
N#CCC1(CNC2CC2c2ccccc2)CCN(Cc2cccnc2)CC1
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
CNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
CN(C)C(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
Fc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCNCC2)cc1 |r|
Fc1ccc(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CCNCC2)cc1 |r|
OC(=O)CN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
C[C@H](N)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
C[C@@H](N)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccccc2F)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(F)c2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2F)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(F)c2F)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)c(F)c2)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCNCC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(=O)N(C)C)CC1 |r|
CNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(CC#N)cc2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(cc2)C2(CC2)C#N)CC1 |r|
Cn1cc(cn1)-c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC(O)=O)CC2)c1 |r|
CN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(c2)C(O)=O)CC1 |r|
CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(c2)C(O)=O)CC1 |r|
OC(=O)c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3CC3)CC2)c1 |r|
OC(=O)c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC2)C2CCOCC2)c1 |r|
OC(=O)c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(Cc3ccccn3)CC2)c1 |r|
OC(=O)c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(Cc3cccnc3)CC2)c1 |r|
CC(C)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(c2)C(O)=O)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(O[C@@H]3CCOC3)c2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(OC3CCOCC3)c2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ccccc2F)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2cccc(F)c2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ccc(F)cc2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COCc2ccccc2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(cc2)C#N)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(cc2F)C#N)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ccccc2C#N)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ccc(cc2)C#N)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ccc(F)cn2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2ncc(F)cn2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COc2cccc(c2)C#N)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC(C)(C)C(O)=O)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCOCC1 |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC(O)=O)CC2)cn1 |r|
CCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CCC(O)=O)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COCC2CCC2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(COC2CCCCC2)CC1 |r|
OC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cn2)CC1 |r|
COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC(O)=O)CC2)cc1 |r|
OC(=O)c1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC#N)CC2)c1 |r|
CN(C)CC(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(c2)C#N)CC1 |r|
CN(C)CC(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2cccc(c2)C(N)=O)CC1 |r|
COc1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC(O)=O)CC2)c1 |r|
CCOc1cccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CCC(O)=O)CC2)c1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)CN1CCOCC1 |r|
NC1CC11CCc2cc(OCc3ccccc3)ccc12
COc1ccc2c(CCCC22CC2N)c1
CC(C)(C)OC(=O)N1CCC2(CC2N)c2ccccc12
NC1CC11CCCCc2ccccc12
NC1CC11CCCc2cc(OCc3ccccc3)ccc12
Cn1cc(cn1)-c1ccc2c(CCCC22CC2N)c1
NC1CC11CCc2ccc(Cl)cc12
NC1CC11CCc2c1cccc2Cl
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cccc2CCC3(CC3N)c12
CC1(N)CC11CCCc2ccccc12
NC1CC11CCCc2ccc(Cl)cc12
NC1CC11CCc2ccc(Br)cc12
NC1CC11CCCc2cc(ccc12)C#N
NC1CC11CCc2ccc(F)cc12
NC1CC11CCc2ccc(cc12)-c1cccnc1
CS(=O)(=O)c1ccc2CCC3(CC3N)c2c1
NC1CC11CCc2ccc(cc12)C#N
CS(=O)(=O)CCn1cc(cn1)-c1ccc2CCC3(CC3N)c2c1
NC1CC11CCc2ccc(cc12)C(O)=O
NC1CC11CCCc2cc(Cl)ccc12
NC1CC11CCc2ccc(cc12)C(N)=O
NC1CC11CCc2cc(ccc12)C(N)=O
NC1CC11CCc2cc(ccc12)C(=O)N1CCCC1
NC1CC11CCCc2cc(ccc12)C(O)=O
NC1CC11CCCc2ccc(F)cc12
CC(C)(C)OC(=O)N1CCC(CNC2CC22CCCc3ccccc23)CC1
COC(=O)c1ccc(CN2CCC(CNC3CC33CCCc4ccccc34)CC2)cc1
COC(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
CC(C)(C)OC(=O)c1ccc(CN2CCC(CNC3CC33CCCc4ccccc34)CC2)cc1
C(NC1CC11CCCc2ccccc12)C1CCOCC1
CC(C)(C)OC(=O)N1CCCC(CNC2CC22CCCc3ccccc23)C1
CC(C)(C)OC(=O)N1CCCCC1CNC1CC11CCCc2ccccc12
Cn1ccc(CNC2CC22CCc3ccccc23)n1
C(NC1CC11CCCc2ccccc12)c1cccnc1
CC(C)(C)OC(=O)N1CCC(CNC2CC22CCc3ccc(cc23)-c2cccnc2)CC1
Cn1cc(cn1)-c1ccc2CCC3(CC3NC[C@H]3CC[C@@H](CC3)NC(=O)OC(C)(C)C)c2c1 |r,wU:17.18,wD:20.25,(-12.07,1.12,;-10.53,1.12,;-9.63,-.13,;-8.16,.35,;-8.16,1.89,;-9.63,2.36,;-6.83,-.42,;-6.83,-1.96,;-5.49,-2.73,;-4.16,-1.96,;-2.7,-2.44,;-1.79,-1.19,;-2.7,.05,;-3.1,1.54,;-1.61,1.14,;-.12,1.54,;.97,.45,;2.46,.85,;2.86,2.34,;4.34,2.73,;5.43,1.65,;5.03,.16,;3.55,-.24,;6.92,2.04,;8.01,.96,;7.61,-.53,;9.5,1.35,;10.58,.26,;12.07,.66,;10.19,-1.22,;10.98,1.75,;-4.16,-.42,;-5.49,.35,)|
CN1CCC(CNC2CC22CCc3ccccc23)CC1
Cn1cc(cn1)-c1ccc2CCC3(CC3NCC3CCOCC3)c2c1
C1C(NC2COC2)C11CCc2ccccc12
C1C(NC2COC2)C11CCCc2ccccc12
Cn1cc(CNC2CC22CCc3ccccc23)cn1
Nc1ncccc1CNC1CC11CCc2ccccc12
C(NC1CC11CCCc2ccccc12)C1CC1
CS(=O)(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
C(NC1CC11CCCc2ccccc12)C1CCNCC1
C1C(NC2CCNCC2)C11CCCc2ccccc12
NC1CCC(CC1)NC1CC11CCCc2ccccc12 |(5.72,-.49,;4.39,.28,;3.05,-.49,;1.72,.28,;1.72,1.82,;3.05,2.59,;4.39,1.82,;.38,2.59,;-.95,1.82,;-2.49,1.82,;-1.72,.49,;-.38,-.28,;-.38,-1.82,;-1.72,-2.59,;-3.05,-1.82,;-4.39,-2.59,;-5.72,-1.82,;-5.72,-.28,;-4.39,.49,;-3.05,-.28,)|
C(NC1CC11CCc2cc(OCc3ccccc3)ccc12)C1CCNCC1
C(NC1CC11CCCCc2ccccc12)C1CCNCC1
C(NC1CC11CCCc2ccccc12)C1CCCNC1
C(NC1CC11CCCc2ccccc12)C1CCCCN1
NC1CC11CCNc2ccccc12
C(CC1CCNCC1)NC1CC11CCCc2ccccc12
Clc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
NCC1CC(C1)NC1CC11CCc2ccccc12 |(5.96,-1.18,;4.47,-1.58,;3.38,-.49,;1.84,-.49,;1.84,1.05,;3.38,1.05,;.75,2.14,;-.74,1.74,;-2.22,2.14,;-1.83,.65,;-.92,-.6,;-1.83,-1.84,;-3.29,-1.37,;-4.62,-2.14,;-5.96,-1.37,;-5.96,.17,;-4.62,.94,;-3.29,.17,)|
C(NC1CC11CCc2ccccc12)C1CCNCC1
Clc1ccc2c(CCC22CC2NCC2CCNCC2)c1
Clc1cccc2c1CCC21CC1NCC1CCNCC1
NC1CCC(CC1)NC1CC11CCc2ccccc12 |(5.53,-2.18,;4.44,-1.09,;2.96,-1.49,;1.87,-.4,;2.27,1.09,;3.75,1.49,;4.84,.4,;1.18,2.18,;-.31,1.78,;-1.8,2.18,;-1.4,.69,;-.49,-.56,;-1.4,-1.8,;-2.86,-1.33,;-4.2,-2.1,;-5.53,-1.33,;-5.53,.21,;-4.2,.98,;-2.86,.21,)|
C(NC1CC11CCc2ccc(cc12)-c1cccnc1)C1CCNCC1
NCC1CC(C1)NC1CC11CCc2ccc(Cl)cc12 |(6.62,-1.18,;5.14,-1.58,;4.05,-.49,;2.51,-.49,;2.51,1.05,;4.05,1.05,;1.42,2.14,;-.07,1.74,;-1.56,2.14,;-1.16,.65,;-.25,-.6,;-1.16,-1.84,;-2.62,-1.37,;-3.96,-2.14,;-5.29,-1.37,;-5.29,.17,;-6.62,.94,;-3.96,.94,;-2.62,.17,)|
Clc1ccc2CCC3(CC3NCCC3CNC3)c2c1
C1C(NC2CC3(CNC3)C2)C11CCc2ccccc12
N#Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Cc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Cn1cc(cn1)-c1ccc2CCC3(CC3NCC3CCNCC3)c2c1
OC(=O)c1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Fc1ccc2CCCC3(CC3NCC3CCNCC3)c2c1
NC1CCC(CC1)NC1CC11CCc2ccc(Cl)cc12 |(6.2,-2.18,;5.11,-1.09,;3.62,-1.49,;2.53,-.4,;2.93,1.09,;4.42,1.49,;5.51,.4,;1.84,2.18,;.36,1.78,;-1.13,2.18,;-.73,.69,;.17,-.56,;-.73,-1.8,;-2.2,-1.33,;-3.53,-2.1,;-4.87,-1.33,;-4.87,.21,;-6.2,.98,;-3.53,.98,;-2.2,.21,)|
Fc1ccc2CCC3(CC3NCC3CCNCC3)c2c1
Clc1ccc2CCCC3(CC3NCC3CCNCC3)c2c1
NCCCCNC1CC11CCCc2ccccc12
NCCCNC1CC11CCCc2ccccc12
Cn1cc(cn1)-c1ccc2CCC3(CC3N)c2c1
NC1CC11CCc2cc(Cl)c(Cl)cc12
Clc1cc2CCC3(CC3NCC3CCNCC3)c2cc1Cl
Clc1ccc2c(CCCC22CC2NCC2CCNCC2)c1
CC(NC1CC11CCCc2ccccc12)C1CCNCC1
CNC1CC11CCCc2ccccc12
OC(=O)c1ccc(CN2CCC(CNC3CC33CCCc4ccccc34)CC2)cc1
OC(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccc(cc34)-c3cccnc3)CC2)cc1
OC(=O)CCN1CCC(CNC2CC22CCc3ccccc23)CC1
OC(=O)c1ccc(CN2CCC(CNC3CC33CCc4ccccc34)CC2)cc1
CN1CCN(CC1)C(=O)CNC1CC11CCCc2ccccc12
CC(C)CN(CC(C)C)C1CC11CCc2ccccc12
CCCNC1CC11CCc2ccccc12
OC1(CNC2CC22CCc3ccccc23)CCN(CC1)C(=O)OCc1ccccc1
N#CCC1(CCC1)N1CCC(CC1)NC1CC1c1ccccc1
CN1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1
N#CCC1(CNC1)N1CCC(CC1)NC1CC1c1ccccc1
N#CCC1(CN(Cc2ccccc2)C1)N1CCC(CC1)NC1CC1c1ccccc1
OC(=O)CCN1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1
CC(=O)N1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1
O=C(N1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1)c1ccccc1
COC(=O)N1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1
CS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)NC1CC1c1ccccc1
N#CCC1(CN(C1)c1ncccc1C#N)N1CCC(CC1)NC1CC1c1ccccc1
OC(=O)c1ccc(N2CC(CC#N)(C2)N2CCC(CC2)NC2CC2c2ccccc2)c(c1)C#N
N#CCC1(CN(C1)c1ccccc1C#N)N1CCC(CC1)NC1CC1c1ccccc1
N#CCC1(CN(C1)c1ccc(cc1)C#N)N1CCC(CC1)NC1CC1c1ccccc1
N#CCC1(CCC1)N1CC(CNC2CC2c2ccccc2)C1
CCS(=O)(=O)N1CC(CC#N)(C1)N1CC(CNC2CC2c2ccccc2)C1
N#CCC1(CCNCC1)N1CC(CNC2CC2c2ccccc2)C1
CN1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
CC(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
Fc1ccc(cc1)C(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
CS(=O)(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
O=S(=O)(N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1)c1ccccc1
CCOC(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
CN(C)C(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)N1CCC(CC#N)(CC1)N1CC(CNC2CC2c2ccccc2)C1
Fc1ccc(NC(=O)N2CCC(CC#N)(CC2)N2CC(CNC3CC3c3ccccc3)C2)cc1
N#CCC1(CNC1)N1CC(CNC2CC2c2ccccc2)C1
C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)N1CC(CNC2CC2c2ccccc2)C1)C(F)(F)F |r|
CN1CCC(CC1)N1CC(CNC2CC2c2ccccc2)C1
C(NC1CC1c1ccccc1)C1CN(C1)C1CCN(CC1)c1ccccc1
N#CC1(CCC(CC1)N1CC(CNC2CC2c2ccccc2)C1)c1ccccc1 |(6.45,-5.34,;5.63,-4.04,;4.82,-2.73,;4.82,-1.19,;3.48,-.42,;2.15,-1.19,;2.15,-2.73,;3.48,-3.5,;.81,-.42,;.42,1.07,;-1.07,.67,;-2.41,1.44,;-3.74,.67,;-5.07,1.44,;-6.61,1.44,;-5.84,2.77,;-5.84,4.31,;-7.18,5.08,;-7.18,6.62,;-5.84,7.39,;-4.51,6.62,;-4.51,5.08,;-.67,-.82,;6.35,-2.78,;7.17,-1.48,;8.71,-1.53,;9.43,-2.89,;8.62,-4.2,;7.08,-4.14,)|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
N#CCC1(CCC1)N1CCC(CNC2CC2c2ccccc2)CC1
N#CCC1(CNC1)N1CCC(CNC2CC2c2ccccc2)CC1
N#CCC1(CN(C1)c1ncccc1C#N)N1CCC(CNC2CC2c2ccccc2)CC1
CC(C)NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
FC(F)(F)c1cccnc1N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
FC(F)(F)c1ccc(nc1)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
Clc1cccc(N2CC(CC#N)(C2)N2CCC(CNC3CC3c3ccccc3)CC2)c1C#N
N#CCC1(CN(C1)c1ccccc1C#N)N1CCC(CNC2CC2c2ccccc2)CC1
N#CCC1(CN(C1)c1ccc(cc1)C#N)N1CCC(CNC2CC2c2ccccc2)CC1
COC(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
Fc1ccc(NC(=O)N2CC(CC#N)(C2)N2CCC(CNC3CC3c3ccccc3)CC2)c(F)c1
Fc1c(Cl)cccc1NC(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
Fc1cc(F)cc(c1)C(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
O=C(N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1)c1ccccc1
Fc1ccccc1C(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
Fc1cccc(c1)C(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
Fc1ccc(cc1)C(=O)N1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
CN1CC(CC#N)(C1)N1CCC(CNC2CC2c2ccccc2)CC1
OC(=O)CC1(CNC1)N1CCC(CNC2CC2c2ccccc2)CC1
CNC(=O)CC1(CNC1)N1CCC(CNC2CC2c2ccccc2)CC1
CN(C)C(=O)CC1(CNC1)N1CCC(CNC2CC2c2ccccc2)CC1
OC(=O)CC1(CCC1)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C1(CC(O)=O)CCC1 |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C1(CC(O)=O)CCC1 |r|
CN(C)C(=O)CC1(CCC1)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
CNC(=O)CC1(CCC1)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
CS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
N#CCC1(CNC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
N#CCC1(CNC1)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
CCS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)S(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
NS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN1CC(CC(O)=O)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CCN1CC(CC(O)=O)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)C(=O)CC1(CCC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CCC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CCS(=O)(=O)N1CC(CC(=O)N(C)C)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CCS(=O)(=O)N1CC(CC(=O)NC)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O[C@H]1CC[C@@H](CC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:21.23,4.7,wD:1.0,(4.1,-5.99,;4.1,-4.45,;5.44,-3.68,;5.44,-2.14,;4.1,-1.37,;2.77,-2.14,;2.77,-3.68,;4.1,.17,;3.02,1.26,;4.1,2.35,;5.19,3.44,;6.68,3.04,;8.17,2.64,;5.19,1.26,;2.77,3.12,;1.44,2.35,;.1,3.12,;.1,4.66,;1.44,5.43,;2.77,4.66,;-1.23,5.43,;-2.56,4.66,;-3.33,5.99,;-4.1,4.66,;-5.44,3.89,;-6.77,4.66,;-8.11,3.89,;-8.11,2.35,;-6.77,1.58,;-5.44,2.35,)|
O[C@H]1CC[C@H](CC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:21.23,4.7,1.0,(4.1,-5.99,;4.1,-4.45,;2.77,-3.68,;2.77,-2.14,;4.1,-1.37,;5.44,-2.14,;5.44,-3.68,;4.1,.17,;3.02,1.26,;4.1,2.35,;5.19,3.44,;6.68,3.04,;8.17,2.64,;5.19,1.26,;2.77,3.12,;1.44,2.35,;.1,3.12,;.1,4.66,;1.44,5.43,;2.77,4.66,;-1.23,5.43,;-2.56,4.66,;-3.33,5.99,;-4.1,4.66,;-5.44,3.89,;-6.77,4.66,;-8.11,3.89,;-8.11,2.35,;-6.77,1.58,;-5.44,2.35,)|
OCCN1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
N#CCC1(CN(C1)C1CCOCC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
N#CCC1(CN(C1)C1CCOC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)C(=O)CN1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CN1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
NC(=O)CN1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
Cn1cc(cn1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
Cn1nccc1C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O[C@H]1CC[C@@H](CC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:23.25,4.7,wD:1.0,(8.77,-5.22,;7.44,-4.45,;7.44,-2.91,;6.1,-2.14,;4.77,-2.91,;4.77,-4.45,;6.1,-5.22,;3.44,-2.14,;2.1,-2.91,;3.44,-.6,;2.35,.49,;3.44,1.58,;4.53,2.67,;6.01,2.27,;7.5,1.87,;4.53,.49,;2.1,2.35,;.77,1.58,;-.56,2.35,;-.56,3.89,;.77,4.66,;2.1,3.89,;-1.9,4.66,;-3.23,3.89,;-4,5.22,;-4.77,3.89,;-6.1,3.12,;-7.44,3.89,;-8.77,3.12,;-8.77,1.58,;-7.44,.81,;-6.1,1.58,)|
O[C@H]1CC[C@H](CC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:23.25,4.7,1.0,(8.77,-5.22,;7.44,-4.45,;6.1,-5.22,;4.77,-4.45,;4.77,-2.91,;6.1,-2.14,;7.44,-2.91,;3.44,-2.14,;2.1,-2.91,;3.44,-.6,;2.35,.49,;3.44,1.58,;4.53,2.67,;6.01,2.27,;7.5,1.87,;4.53,.49,;2.1,2.35,;.77,1.58,;-.56,2.35,;-.56,3.89,;.77,4.66,;2.1,3.89,;-1.9,4.66,;-3.23,3.89,;-4,5.22,;-4.77,3.89,;-6.1,3.12,;-7.44,3.89,;-8.77,3.12,;-8.77,1.58,;-7.44,.81,;-6.1,1.58,)|
OC1(CC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC1(CCCC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)N1CCOCC1 |r|
OC1CCN(CC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
COC1CCN(CC1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC1CN(C1)C(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)C(=O)CC1(CN(C1)S(C)(=O)=O)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CN(C1)S(C)(=O)=O)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CCS(=O)(=O)N1CC(CCO)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CS(=O)(=O)N1CC(CCO)(C1)C1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:18.19,(5.44,-3.78,;4.1,-3.01,;3.33,-4.35,;2.62,-2.62,;4.1,-1.47,;3.02,-.39,;4.1,.7,;5.44,1.47,;6.77,.7,;8.11,1.47,;5.19,-.39,;2.77,1.47,;1.44,.7,;.1,1.47,;.1,3.01,;1.44,3.78,;2.77,3.01,;-1.23,3.78,;-2.56,3.01,;-3.33,4.35,;-4.1,3.01,;-5.44,2.24,;-6.77,3.01,;-8.11,2.24,;-8.11,.7,;-6.77,-.07,;-5.44,.7,)|
COC(=O)N1CC(CC(=O)N(C)C)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CN(C1)C(=O)OC)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)C(=O)CC1(CN(C1)C(=O)N(C)C)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CN(C1)C(=O)N(C)C)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
Cn1cc(cn1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(OC1CCOC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
Cn1cc(cn1)S(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccc(F)cc1 |r|
NS(=O)(=O)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccc(F)cc1 |r|
OC1CCC(CC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccc(F)cc1 |r,wU:21.23,(4.77,-5.99,;4.77,-4.45,;3.44,-3.68,;3.44,-2.14,;4.77,-1.37,;6.1,-2.14,;6.1,-3.68,;4.77,.17,;3.68,1.26,;4.77,2.35,;5.86,3.44,;7.35,3.04,;8.83,2.64,;5.86,1.26,;3.44,3.12,;2.1,2.35,;.77,3.12,;.77,4.66,;2.1,5.43,;3.44,4.66,;-.56,5.43,;-1.9,4.66,;-2.67,5.99,;-3.44,4.66,;-4.77,3.89,;-6.1,4.66,;-7.44,3.89,;-7.44,2.35,;-8.77,1.58,;-6.1,1.58,;-4.77,2.35,)|
OC(=O)CC1(CCC1)N1CCC(CN[C@@H]2CC2c2ccccc2)CC1 |r|
OC1CC(C1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r,wU:19.21,(4.1,-5.54,;4.1,-4,;3.02,-2.91,;4.1,-1.82,;5.19,-2.91,;4.1,-.28,;3.02,.81,;4.1,1.9,;5.19,2.98,;6.68,2.59,;8.17,2.19,;5.19,.81,;2.77,2.67,;1.44,1.9,;.1,2.67,;.1,4.21,;1.44,4.98,;2.77,4.21,;-1.23,4.98,;-2.56,4.21,;-3.33,5.54,;-4.1,4.21,;-5.44,3.44,;-6.77,4.21,;-8.11,3.44,;-8.11,1.9,;-6.77,1.13,;-5.44,1.9,)|
O=C(C1CCCO1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(C1CCOC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1cncs1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1ccns1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1cnccn1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1cn[nH]c1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1ccn[nH]1 |r|
O=C([C@@H]1CCOC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C([C@H]1CCOC1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C([C@@H]1CCCO1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C([C@H]1CCCO1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(Cc1ccccn1)N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1cscn1 |r|
O=C(N1CC(CC#N)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1)c1nccs1 |r|
CN(C)C(=O)CC1(CN(C1)C1CCOCC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CN(C1)C1CCOCC1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CN(C)C(=O)CC1(CN(CC2CC2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CNC(=O)CC1(CN(CC2CC2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(Cc2ncccn2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(Cc2cncnc2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(Cc2cscn2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(Cc2cncs2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(Cc2nccs2)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)CC1(CN(CCC(F)(F)F)C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(CO)CO |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCNS(C)(=O)=O)C2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCO)CC2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(=O)NCCO)C2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCOC)CC2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCC(N)=O)C2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CCN(CCS(N)(=O)=O)CC2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(C)(C)C(N)=O)C2 |r|
CN1CCN(CC1)C(=O)C(CN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1)C(=O)C(CN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
CN1CCN(CC1)C(=O)C(CN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1cccc(c1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)Cc1ccc(cc1)-c1ccccc1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)Cc1ccc2ccccc2c1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1cccc2ccccc12 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc2ccccc2c1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C(F)(F)F |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1cccc(c1)-c1ccccc1 |r|
COc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
COc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ncco1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCNCC1 |r|
CN(C)C1CCN(C1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN(C)C1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cnnc1 |r|
OCCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC1 |r|
NC(=O)C1(F)CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CCOC(=O)CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCN(CC1)c1ncccn1 |r|
NC(=O)C1(F)CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CC(C1)C#N |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CC2(COC2)C1 |r|
C[C@H]1CN(C[C@@H](C)N1C)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCCC1C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCC(CC1)C#N |r|
CS(=O)(=O)C1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CC(C)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
OCCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
COCCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCNC(=O)C1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
C[C@H]1CN(C[C@@H](C)O1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CC2CCC(C2)C1 |r|
CN1C2CCC1CN(C2)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CC2CCC(C1)O2 |r|
CN1CCC2(C1)CCN(CC2)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCC2(CCN(C2)C(=O)[C@H](CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(cc2)-n2ccnn2)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CC2(COC2)C1 |r|
NC(=O)C1(F)CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cnnc1)C(=O)N1CCNC(=O)C1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cnnc1 |r|
CCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
CC1(C)CN(C1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CC(C1)C#N |r|
CC(C)(O)C1CN(C1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CC1(O)CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
COC1(C)CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC(CC1)n1cccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC(CC1)n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC(CC1)n1cnnc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC(CC1)c1nnn[nH]1 |r|
CCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CC(C)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
OCCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
COCCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CS(=O)(=O)CCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CCN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Cn1cc2CN(Cc2n1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CS(=O)(=O)n1cc2CN(Cc2n1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CC2(COC2)C1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC2(CCOC2)CC1 |r|
CCN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ncccn1)C(=O)N1CCNCC1 |r|
C[C@H]1CN(C[C@@H](C)N1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CC2CCC(C1)N2 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCCCC1 |r|
OC1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
OC1CCN(CC1)C(=O)[C@H](CCCNC1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)S(C)(=O)=O |r|
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccc1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1nccn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1cnn(C)n1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cncn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncn(C)n1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1nnn[nH]1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1cnc(nc1)-c1ccccc1 |r|
COc1ccc2cc(ccc2c1)C(=O)N[C@@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(C)CC1 |r|
CC(C)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCN(CC1)C(=O)CC#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCN2CCC1CC2 |r,wU:7.7,wD:14.16,9.11,(9.76,1.15,;8.42,1.92,;7.09,1.15,;5.76,1.92,;5.76,3.46,;7.09,4.23,;8.42,3.46,;4.42,4.23,;3.65,5.57,;2.88,4.23,;1.55,3.47,;.22,4.23,;-1.12,3.47,;-2.45,4.23,;-3.78,3.47,;-3.78,1.93,;-2.45,1.15,;-1.12,1.93,;-2.45,-.38,;-3.78,-1.15,;-3.78,-2.69,;-2.45,-3.47,;-1.12,-2.69,;-1.12,-1.15,;-2.45,-5,;-1.12,-5.78,;-5.12,4.23,;-5.12,5.78,;-6.45,3.47,;-6.34,1.93,;-7.47,.88,;-8.99,1.11,;-9.76,2.44,;-9.2,3.88,;-7.72,4.33,;-8.81,3.24,;-7.9,2.2,)|
OC1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C(O)=O |r|
CN1CCN(CC1)C(=O)[C@@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
OC1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CC(C)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@@H]1CC1NCCC[C@H](NC(=O)c1ccc(cc1)N1CCCC1)C(=O)N1CCS(=O)(=O)CC1 |r|
CN(C)C1CN(C1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ncccn1)C(=O)N1CCN(CC1)C(=O)CC#N |r|
OC1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cnnn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cnnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCNC(=O)C1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCN2CCC1CC2 |r,wU:7.7,wD:14.16,9.11,(9.84,1.95,;8.5,2.72,;7.17,1.95,;5.83,2.72,;5.83,4.26,;7.17,5.03,;8.5,4.26,;4.5,5.03,;3.73,6.37,;2.96,5.03,;1.63,4.26,;.29,5.03,;-1.04,4.26,;-2.37,5.03,;-3.71,4.26,;-3.71,2.72,;-2.37,1.95,;-1.04,2.72,;-2.37,.41,;-3.71,-.36,;-3.71,-1.9,;-2.37,-2.67,;-1.04,-1.9,;-1.04,-.36,;-2.37,-4.21,;-3.62,-5.11,;-3.14,-6.57,;-1.6,-6.57,;-1.13,-5.11,;-5.04,5.03,;-5.04,6.57,;-6.38,4.26,;-6.72,2.76,;-8.11,2.1,;-9.49,2.76,;-9.84,4.26,;-8.88,5.47,;-7.34,5.47,;-8.42,4.38,;-8.01,3.16,)|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ncccn1)C(=O)N1CCN2CCC1CC2 |r,wU:7.7,wD:14.16,9.11,(9.75,2.31,;8.42,3.08,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.42,4.62,;4.42,5.39,;3.65,6.72,;2.88,5.39,;1.54,4.62,;.21,5.39,;-1.12,4.62,;-2.46,5.39,;-3.79,4.62,;-3.79,3.08,;-2.46,2.31,;-1.12,3.08,;-2.46,.77,;-3.79,,;-3.79,-1.54,;-2.46,-2.31,;-1.12,-1.54,;-1.12,,;-2.46,-3.85,;-3.79,-4.62,;-3.79,-6.16,;-2.46,-6.93,;-1.12,-6.16,;-1.12,-4.62,;-5.12,5.39,;-5.12,6.93,;-6.46,4.62,;-6.32,3.09,;-7.44,2.02,;-8.97,2.23,;-9.75,3.56,;-9.21,5,;-7.74,5.47,;-8.83,4.38,;-7.88,3.32,)|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CC(F)(F)C1 |r|
OC(=O)CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCN(C)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1F)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCC(F)(CC1)C#N |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1)C(=O)[C@@H](CCCN[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1cnccn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1cncnc1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
C[C@]1(C[C@H]1c1ccc(F)cc1)NCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
COc1ccc(cc1)-c1ccc(CC(=O)N[C@@H](CCN[C@@H]2C[C@H]2c2ccc(F)cc2)C(=O)N2CCN(CC2)S(C)(=O)=O)cc1 |r|
Cc1ccc(C)n1-c1ccc(cc1)C(=O)N[C@@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@H]1C[C@@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CN1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccn1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCNC(=O)C1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cnnc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1cnn(c1)-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ncccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCNC(=O)C1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1ncco1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-c1cnccn1)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CCNC(=O)C1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccn1)C(=O)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1cccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
CN1CCN(CC1)C(=O)[C@H](CNC1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccn1 |r|
COc1ccc2cc(ccc2c1)C(=O)N[C@@H](CCN[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
C[C@@]1(C[C@@H]1c1ccc(F)cc1)NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCN[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCN[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCN[C@H]1C[C@@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Fc1cc(ccc1N1CC(CNC2CC2c2ccccc2)C1)C#N
Fc1cc(cc(F)c1N1CC(CNC2CC2c2ccccc2)C1)C#N
CC(C)NC(=O)c1cc(F)c(cc1F)N1CC(CNC2CC2c2ccccc2)C1
Cc1nc(ccc1C#N)N1CC(CNC2CC2c2ccccc2)C1
CCNC(=O)c1cnc(cn1)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)c1cc(F)c(N2CC(CNC3CC3c3ccccc3)C2)c(F)c1
CC(C)NC(=O)c1c(F)cc(cc1F)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)c1ccc(N2CC(CNC3CC3c3ccccc3)C2)c(F)c1F
CC(C)NC(=O)c1cc(F)c(cc1Cl)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)c1ccc(N2CC(CNC3CC3c3ccccc3)C2)c(F)c1
CC(C)NC(=O)c1ccc(cc1F)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)c1cc(C)c(cc1F)N1CC(CNC2CC2c2ccccc2)C1
COc1cc(ccc1C(=O)NC(C)C)N1CC(CNC2CC2c2ccccc2)C1
CC(C)NC(=O)c1ccc(N2CC(CNC3CC3c3ccccc3)C2)c(Cl)c1
FC(F)(F)C1(CC1)NC(=O)c1ccc(cn1)N1CC(CNC2CC2c2ccccc2)C1
CN1CCN(CC1)c1cc(ncn1)N1CC(CNC2CC2c2ccccc2)C1
Cn1cc(cn1)N1CC(CNC2CC2c2ccccc2)C1
Clc1cccc(N2CCC(CNC3CC3c3ccccc3)(CC#N)CC2)c1C#N
FC(F)(F)c1cccnc1N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
OC(=O)c1cccc(n1)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
OC(=O)c1ccc(cn1)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
OC(=O)C1(CC1)c1ccc(cc1)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)c1ccnc(c1)C(O)=O |r|
COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)c1cccc(n1)C(O)=O |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)c1ccc(nc1)C(O)=O |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)c1cccc(n1)C(O)=O |r|
CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)c1ccnc(c1)C(O)=O |r|
CN(C)C(=O)c1ccc(cn1)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
CNC(=O)c1ccc(cn1)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Nc1ccnc(n1)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
Cc1ccc(cc1)-c1nc2cnn(C[C@H]3[C@@H]4CNC[C@H]34)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc(NC[C@H]2[C@@H]3CNC[C@H]23)nn1-c1ccc(cc1)C#N |r|
Cn1cc2cc(ccc2n1)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CNC1CCN(CC1)c1cnc(-c2ccc3nn(C)cc3c2)c(n1)-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cc2ccc(cc2n1)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1nnc2cc(ccc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1nnc2cc(cnc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1ccc2cc(cnc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CNC1CCN(CC1)c1cnc(-c2ccc3n(C)nnc3c2)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2ccc(nc2)N(C)C)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2cnc(nc2)N(C)C)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2cnc3n(C)ncc3c2)c(n1)-c1ccc(C#N)c(F)c1
CN(C)C1CCN(CC1)c1cnc(-c2ccc3nn(C)cc3c2)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2cc3ncn(C)c3cc2F)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2cc3ncn(C)c3c(F)c2F)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2ccc(OC)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(C#CC2(O)CCCC2)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2ccc3n(C)cnc3c2)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(C#CC(C)(C)O)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2cc3ncn(C(C)C)c3cc2F)c(n1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cnc(-c2ccc3n(cnc3c2)C(C)C)c(n1)-c1ccc(C#N)c(F)c1
CCn1cnc2cc(c(F)cc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(CC1)NC
CC(C)n1cnc2cc(c(F)cc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CCn1cnc2cc(c(F)cc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CC(C)n1cnc2cc(ccc12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CC(C)n1cnc2cc(c(F)c(F)c12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CCn1cnc2cc(c(F)c(F)c12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cn1cnc2cc(c(F)c(F)c12)-c1ncc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(CC#N)cc1
CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(C2=CC3C=NN(C)C3C=C2)c(=O)n1C |c:27,33,t:24|
Cc1ccc(cc1)-c1c(nc(CO[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN(C)[C@@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN(C)[C@@H]1CCN(CCc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN1CCC(C1)Oc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
CN(C)CCCOc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Cc1ccc(cc1)-c1c(nc(SC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
CN(C)CCCN(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
CN(CCC1CCCN1C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
CN1CCC(CC1)Nc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
CN1CCCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
Cc1ccc(cc1)-c1c(nc(N2CCC3(CNC3)CC2)c2nccn12)-c1ccc(cc1)C#N
CN(C)[C@@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12 |r|
CN(C)[C@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12 |r|
Cc1ccc(cc1)-c1c(nc(NCCc2csc(N)n2)c2nccn12)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(C(=O)NCC2CNC2)c2nccn12)-c1ccc(cc1)C#N
CN1CC(C1)NC(=O)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
N#Cc1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccccc1 |r|
Clc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4sncc4c3)n3ccnc23)C1 |r|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4C(O)CCc4c(F)c3)n3ccnc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(O)c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(O)c3c2)n2ccnc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)n2ccnc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:20.22,23.26,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)|
Cc1cc2n(cc(-c3cncc(N)c3C(F)F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:22.24,wD:25.28,(-4.33,-.81,;-2.99,-.04,;-1.66,-.81,;-.32,-.04,;1.14,-.51,;2.05,.73,;1.14,1.98,;1.62,3.44,;.59,4.59,;1.06,6.05,;2.57,6.37,;3.6,5.23,;5.1,5.55,;3.12,3.76,;4.15,2.62,;5.66,2.94,;3.68,1.15,;-.32,1.5,;-1.66,2.27,;-2.99,1.5,;-4.33,2.27,;-5.66,3.04,;1.62,-1.98,;3.12,-2.3,;3.6,-3.76,;2.57,-4.91,;3.04,-6.37,;1.06,-4.59,;.59,-3.12,)|
Cc1cc2n(cc(-c3cncc(N)c3C(F)F)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:22.24,25.28,(-4.33,-.81,;-2.99,-.04,;-1.66,-.81,;-.32,-.04,;1.14,-.51,;2.05,.73,;1.14,1.98,;1.62,3.44,;.59,4.59,;1.06,6.05,;2.57,6.37,;3.6,5.23,;5.1,5.55,;3.12,3.76,;4.15,2.62,;3.68,1.15,;5.66,2.94,;-.32,1.5,;-1.66,2.27,;-2.99,1.5,;-4.33,2.27,;-5.66,3.04,;1.62,-1.98,;.59,-3.12,;1.06,-4.59,;2.57,-4.91,;3.04,-6.37,;3.6,-3.76,;3.12,-2.3,)|
Cc1cc2n(cc(-c3cncc(N)c3F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,)|
Cc1cc2n(cc(-c3cncc(N)c3F)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:20.22,23.26,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)|
Nc1cncc(-c2cn([C@H]3CC[C@H](O)CC3)c3cc(Cl)c(cc23)C#N)c1Cl |r,wU:9.8,wD:12.12,(5.38,5.55,;3.88,5.23,;2.85,6.37,;1.34,6.05,;.86,4.59,;1.89,3.44,;1.42,1.98,;2.32,.73,;1.42,-.51,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,;-.05,-.04,;-1.38,-.81,;-2.71,-.04,;-4.05,-.81,;-2.71,1.5,;-1.38,2.27,;-.05,1.5,;-4.05,2.27,;-5.38,3.04,;3.4,3.76,;4.43,2.62,)|
Nc1cncc(-c2cn([C@@H]3CC[C@H](O)CC3)c3cc(Cl)c(cc23)C#N)c1Cl |r,wU:9.8,12.12,(5.38,5.55,;3.88,5.23,;2.85,6.37,;1.34,6.05,;.86,4.59,;1.89,3.44,;1.42,1.98,;2.32,.73,;1.42,-.51,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,;-.05,-.04,;-1.38,-.81,;-2.71,-.04,;-4.05,-.81,;-2.71,1.5,;-1.38,2.27,;-.05,1.5,;-4.05,2.27,;-5.38,3.04,;3.4,3.76,;4.43,2.62,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CCC[C@@H](O)C1 |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CCC[C@H](O)C1 |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@@H](O)C1 |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@H](O)C1 |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1C[C@H](O)C1 |r,wU:20.22,wD:22.25,(-4.05,-1.24,;-2.71,-.47,;-1.38,-1.24,;-.05,-.47,;1.42,-.94,;2.32,.3,;1.42,1.55,;1.89,3.01,;.86,4.16,;1.34,5.62,;2.85,5.94,;3.88,4.8,;5.38,5.12,;3.4,3.33,;4.43,2.19,;-.05,1.07,;-1.38,1.84,;-2.71,1.07,;-4.05,1.84,;-5.38,2.61,;1.89,-2.41,;3.27,-3.11,;2.57,-4.48,;3.04,-5.94,;1.19,-3.78,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1C[C@H](O)C1 |r,wU:20.22,22.25,(-4.05,-1.24,;-2.71,-.47,;-1.38,-1.24,;-.05,-.47,;1.42,-.94,;2.32,.3,;1.42,1.55,;1.89,3.01,;.86,4.16,;1.34,5.62,;2.85,5.94,;3.88,4.8,;5.38,5.12,;3.4,3.33,;4.43,2.19,;-.05,1.07,;-1.38,1.84,;-2.71,1.07,;-4.05,1.84,;-5.38,2.61,;1.89,-2.41,;1.19,-3.78,;2.57,-4.48,;3.04,-5.94,;3.27,-3.11,)|
Cc1cc2n(CCCO)cc(-c3cncc(N)c3C(F)F)c2cc1C#N
Cc1cc2n(CCCO)cc(-c3cccc(N)c3F)c2cc1C#N
Cc1cc2n(CCCO)cc(-c3cccc(N)c3Cl)c2cc1C#N
Cc1cc2n(CCCO)cc(-c3cncc(N)c3C)c2cc1C#N
CC(C)Nc1cccc(-c2cn([C@H]3CC[C@H](O)CC3)c3cc(C)c(cc23)C#N)c1C |r,wU:15.15,wD:12.11,(6.65,4.72,;5.14,4.4,;4.67,2.94,;4.11,5.55,;2.61,5.23,;1.58,6.37,;.07,6.05,;-.41,4.59,;.62,3.44,;.15,1.98,;1.05,.73,;.15,-.51,;.62,-1.98,;-.41,-3.12,;.07,-4.59,;1.58,-4.91,;2.05,-6.37,;2.61,-3.76,;2.13,-2.3,;-1.32,-.04,;-2.65,-.81,;-3.98,-.04,;-5.32,-.81,;-3.98,1.5,;-2.65,2.27,;-1.32,1.5,;-5.32,2.27,;-6.65,3.04,;2.13,3.76,;3.16,2.62,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(cc1)C(N)=O
Cc1c(N)cccc1-c1cn([C@H]2CC[C@H](O)CC2)c2cc(F)c(cc12)C#N |r,wU:11.11,wD:14.15,(4.43,2.62,;3.4,3.76,;3.88,5.23,;5.38,5.55,;2.85,6.37,;1.34,6.05,;.86,4.59,;1.89,3.44,;1.42,1.98,;2.32,.73,;1.42,-.51,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,;-.05,-.04,;-1.38,-.81,;-2.71,-.04,;-4.05,-.81,;-2.71,1.5,;-1.38,2.27,;-.05,1.5,;-4.05,2.27,;-5.38,3.04,)|
Cc1c(-c2cncc(N)c2)c2cc(C#N)c(C)cc2n1CCCO
Cc1c(-c2cccc(N)c2C)c2cc(C#N)c(C)cc2n1CCCO |(3.86,.41,;2.32,.41,;1.42,1.66,;1.89,3.12,;.86,4.27,;1.34,5.73,;2.85,6.05,;3.88,4.91,;5.38,5.23,;3.4,3.44,;4.43,2.3,;-.05,1.18,;-1.38,1.95,;-2.71,1.18,;-4.05,1.95,;-5.38,2.72,;-2.71,-.36,;-4.05,-1.13,;-1.38,-1.13,;-.05,-.36,;1.42,-.83,;1.89,-2.3,;.86,-3.44,;1.34,-4.91,;.31,-6.05,)|
Cc1c(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc2n1CCCO |(3.86,.41,;2.32,.41,;1.42,1.66,;1.89,3.12,;.86,4.27,;1.34,5.73,;2.85,6.05,;3.88,4.91,;5.38,5.23,;3.4,3.44,;4.43,2.3,;-.05,1.18,;-1.38,1.95,;-2.71,1.18,;-4.05,1.95,;-5.38,2.72,;-2.71,-.36,;-4.05,-1.13,;-1.38,-1.13,;-.05,-.36,;1.42,-.83,;1.89,-2.3,;.86,-3.44,;1.34,-4.91,;.31,-6.05,)|
Cc1cc2n(cc(-c3c(C)c(N)ccc3F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:21.23,wD:24.27,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;3.4,3.76,;4.43,2.62,;3.88,5.23,;5.38,5.55,;2.85,6.37,;1.34,6.05,;.86,4.59,;-.64,4.27,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,)|
Cc1cc2n(cc(-c3c(C)c(N)ccc3F)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:21.23,24.27,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;3.4,3.76,;4.43,2.62,;3.88,5.23,;5.38,5.55,;2.85,6.37,;1.34,6.05,;.86,4.59,;-.64,4.27,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)|
Cc1cc2n(cc(-c3c(F)ccc(N)c3F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:21.23,wD:24.27,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;-.64,4.27,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,)|
Cc1cc2n(cc(-c3c(F)ccc(N)c3F)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:21.23,24.27,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;-.64,4.27,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)|
Cc1cc2n(cc(-c3ccc(F)c(N)c3Cl)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:21.23,wD:24.27,(-4.05,-1.54,;-2.71,-.77,;-1.38,-1.54,;-.05,-.77,;1.42,-1.25,;2.32,,;1.42,1.25,;1.89,2.71,;.86,3.86,;1.34,5.32,;2.85,5.64,;3.32,7.1,;3.88,4.5,;5.38,4.82,;3.4,3.03,;4.43,1.89,;-.05,.77,;-1.38,1.54,;-2.71,.77,;-4.05,1.54,;-5.38,2.31,;1.89,-2.71,;3.4,-3.03,;3.88,-4.5,;2.85,-5.64,;3.32,-7.1,;1.34,-5.32,;.86,-3.86,)|
Cc1cc2n(cc(-c3ccc(F)c(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:21.23,24.27,(-4.05,-1.54,;-2.71,-.77,;-1.38,-1.54,;-.05,-.77,;1.42,-1.25,;2.32,,;1.42,1.25,;1.89,2.71,;.86,3.86,;1.34,5.32,;2.85,5.64,;3.32,7.1,;3.88,4.5,;5.38,4.82,;3.4,3.03,;4.43,1.89,;-.05,.77,;-1.38,1.54,;-2.71,.77,;-4.05,1.54,;-5.38,2.31,;1.89,-2.71,;.86,-3.86,;1.34,-5.32,;2.85,-5.64,;3.32,-7.1,;3.88,-4.5,;3.4,-3.03,)|
Cc1cc2n(cc(-c3cc(N)cc(c3)C#N)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:21.23,wD:24.27,(-4.05,-1.79,;-2.71,-1.02,;-1.38,-1.79,;-.05,-1.02,;1.42,-1.5,;2.32,-.25,;1.42,.99,;1.89,2.46,;3.4,2.78,;3.88,4.24,;5.38,4.56,;2.85,5.39,;1.3,5.11,;.86,3.6,;.27,6.25,;-.76,7.4,;-.05,.52,;-1.38,1.29,;-2.71,.52,;-4.05,1.29,;-5.38,2.06,;1.89,-2.96,;3.4,-3.28,;3.88,-4.75,;2.85,-5.89,;3.32,-7.36,;1.34,-5.57,;.86,-4.11,)|
Cc1cc2n(CCCO)cc(-c3c(F)ccc(N)c3F)c2cc1C#N |(-4.05,-1.13,;-2.71,-.36,;-1.38,-1.13,;-.05,-.36,;1.42,-.83,;1.89,-2.3,;.86,-3.44,;1.34,-4.91,;.31,-6.05,;2.32,.41,;1.42,1.66,;1.89,3.12,;.86,4.27,;-.64,3.95,;1.34,5.73,;2.85,6.05,;3.88,4.91,;5.38,5.23,;3.4,3.44,;4.43,2.3,;-.05,1.18,;-1.38,1.95,;-2.71,1.18,;-4.05,1.95,;-5.38,2.72,)|
Cc1cc2n(CCCO)cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N
Cc1cc2n(CC(O)CO)cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N
Cc1cc2n(CCC(O)CO)cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@H](C1)S(C)(=O)=O |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@@H](C1)S(C)(=O)=O |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1C[C@@H](C1)C#N |r,wU:20.22,wD:22.27,(-4.05,-.5,;-2.71,.27,;-1.38,-.5,;-.05,.27,;1.42,-.21,;2.32,1.04,;1.42,2.28,;1.89,3.75,;.86,4.89,;1.34,6.36,;2.85,6.68,;3.88,5.53,;5.38,5.85,;3.4,4.07,;4.43,2.92,;-.05,1.81,;-1.38,2.58,;-2.71,1.81,;-4.05,2.58,;-5.38,3.35,;1.89,-1.67,;3.27,-2.37,;2.57,-3.77,;1.19,-3.05,;3.05,-5.23,;3.53,-6.7,)|
Cc1cc2n(cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N)C1CNC1
Cc1cc2n(CCCOCCCO)cc(-c3cccc(N)c3F)c2cc1C#N
Cc1cc2n(CCCO)cc(-c3cccc(N)c3C#N)c2cc1C#N
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CS(=O)(=O)C1
COC(=O)[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:7.10,wD:4.3,(5.62,-4.98,;4.59,-6.12,;3.08,-5.8,;2.05,-6.94,;2.61,-4.34,;3.64,-3.19,;3.16,-1.73,;1.66,-1.41,;.62,-2.55,;1.1,-4.02,;1.18,.06,;2.08,1.3,;1.18,2.55,;1.66,4.02,;.62,5.16,;1.1,6.62,;2.61,6.94,;3.64,5.8,;5.14,6.12,;3.16,4.34,;4.19,3.19,;-.29,2.07,;-1.62,2.84,;-2.95,2.07,;-4.29,2.84,;-5.62,3.61,;-2.95,.53,;-4.29,-.24,;-1.62,-.24,;-.29,.53,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)C(N)=O |r,wU:20.22,wD:23.29,(-4.05,-.24,;-2.71,.53,;-1.38,-.24,;-.05,.53,;1.42,.06,;2.32,1.3,;1.42,2.55,;1.89,4.02,;.86,5.16,;1.34,6.62,;2.85,6.94,;3.88,5.8,;5.38,6.12,;3.4,4.34,;4.43,3.19,;-.05,2.07,;-1.38,2.84,;-2.71,2.07,;-4.05,2.84,;-5.38,3.61,;1.89,-1.41,;3.4,-1.73,;3.88,-3.19,;2.85,-4.34,;1.34,-4.02,;.86,-2.55,;3.32,-5.8,;4.83,-6.12,;2.29,-6.94,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:20.22,wD:23.29,(-4.05,-.24,;-2.71,.53,;-1.38,-.24,;-.05,.53,;1.42,.06,;2.32,1.3,;1.42,2.55,;1.89,4.02,;.86,5.16,;1.34,6.62,;2.85,6.94,;3.88,5.8,;5.38,6.12,;3.4,4.34,;4.43,3.19,;-.05,2.07,;-1.38,2.84,;-2.71,2.07,;-4.05,2.84,;-5.38,3.61,;1.89,-1.41,;3.4,-1.73,;3.88,-3.19,;2.85,-4.34,;1.34,-4.02,;.86,-2.55,;3.32,-5.8,;4.83,-6.12,;2.29,-6.94,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)S(C)(=O)=O |r,wU:20.22,wD:23.29,(-4.05,-.08,;-2.71,.69,;-1.38,-.08,;-.05,.69,;1.42,.22,;2.32,1.46,;1.42,2.71,;1.89,4.18,;.86,5.32,;1.34,6.78,;2.85,7.1,;3.88,5.96,;5.38,6.28,;3.4,4.5,;4.43,3.35,;-.05,2.23,;-1.38,3,;-2.71,2.23,;-4.05,3,;-5.38,3.77,;1.89,-1.25,;3.4,-1.57,;3.88,-3.03,;2.85,-4.18,;1.34,-3.86,;.86,-2.39,;3.32,-5.64,;4.81,-5.24,;2.29,-6.78,;3.8,-7.1,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@H](CC1)S(C)(=O)=O |r,wU:20.22,23.29,(-4.05,-.24,;-2.71,.53,;-1.38,-.24,;-.05,.53,;1.42,.06,;2.32,1.3,;1.42,2.55,;1.89,4.02,;.86,5.16,;1.34,6.62,;2.85,6.94,;3.88,5.8,;5.38,6.12,;3.4,4.34,;4.43,3.19,;-.05,2.07,;-1.38,2.84,;-2.71,2.07,;-4.05,2.84,;-5.38,3.61,;1.89,-1.41,;3.4,-1.73,;3.88,-3.19,;2.85,-4.34,;1.34,-4.02,;.86,-2.55,;3.32,-5.8,;1.83,-5.4,;2.29,-6.94,;4.83,-6.12,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCS(=O)(=O)CC1
COC(=O)N1CCC(CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCC(C)(O)CC1 |(-4.05,-.87,;-2.71,-.1,;-1.38,-.87,;-.05,-.1,;1.42,-.58,;2.32,.67,;1.42,1.91,;1.89,3.38,;.86,4.52,;1.34,5.99,;2.85,6.31,;3.88,5.16,;5.38,5.48,;3.4,3.7,;4.43,2.55,;-.05,1.44,;-1.38,2.21,;-2.71,1.44,;-4.05,2.21,;-5.38,2.98,;1.89,-2.04,;.86,-3.19,;1.34,-4.65,;2.85,-4.97,;2.08,-6.31,;3.93,-6.06,;3.88,-3.83,;3.4,-2.36,)|
CC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:7.10,4.3,(.78,-5.89,;2.29,-6.21,;2.77,-7.68,;3.32,-5.07,;2.85,-3.6,;1.34,-3.28,;.86,-1.82,;1.89,-.67,;3.4,-.99,;3.88,-2.46,;1.42,.79,;2.32,2.04,;1.42,3.28,;1.89,4.75,;.86,5.89,;1.34,7.36,;2.85,7.68,;3.88,6.53,;5.38,6.85,;3.4,5.07,;4.43,3.92,;-.05,2.81,;-1.38,3.58,;-2.71,2.81,;-4.05,3.58,;-5.38,4.35,;-2.71,1.27,;-4.05,.5,;-1.38,.5,;-.05,1.27,)|
CC(=O)N[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:7.10,wD:4.3,(.78,-5.89,;2.29,-6.21,;2.77,-7.68,;3.32,-5.07,;2.85,-3.6,;3.88,-2.46,;3.4,-.99,;1.89,-.67,;.86,-1.82,;1.34,-3.28,;1.42,.79,;2.32,2.04,;1.42,3.28,;1.89,4.75,;.86,5.89,;1.34,7.36,;2.85,7.68,;3.88,6.53,;5.38,6.85,;3.4,5.07,;4.43,3.92,;-.05,2.81,;-1.38,3.58,;-2.71,2.81,;-4.05,3.58,;-5.38,4.35,;-2.71,1.27,;-4.05,.5,;-1.38,.5,;-.05,1.27,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCC(N)CC1 |(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;.86,-3.12,;1.34,-4.59,;2.85,-4.91,;3.32,-6.37,;3.88,-3.76,;3.4,-2.3,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCN(CC1)S(C)(=O)=O
CN1CC(CCC1=O)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
CC(=O)N1CCCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
COC(=O)C1CCCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCCC(C1)C(N)=O
COC(=O)N1CCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCN(C1)S(C)(=O)=O
CC(=O)N[C@@H]1CC[C@H](C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@H](C1)NS(C)(=O)=O |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@@H]1CC[C@@H](C1)NS(C)(=O)=O |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@H](C1)NS(C)(=O)=O |r|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](C1)NS(C)(=O)=O |r|
COC(=O)C1CCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CCC(C1)C(N)=O
CC(=O)N1CCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
CNC(=O)N1CCC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CC(C1)C(N)=O |(-4.05,-.66,;-2.71,.11,;-1.38,-.66,;-.05,.11,;1.42,-.37,;2.32,.88,;1.42,2.12,;1.89,3.59,;.86,4.73,;1.34,6.2,;2.85,6.52,;3.88,5.37,;5.38,5.69,;3.4,3.91,;4.43,2.76,;-.05,1.65,;-1.38,2.42,;-2.71,1.65,;-4.05,2.42,;-5.38,3.19,;1.89,-1.83,;1.19,-3.21,;2.57,-3.91,;3.27,-2.53,;3.04,-5.37,;4.55,-5.69,;2.01,-6.52,)|
CN(C1CC(C1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12)C(C)=O |(1.91,-6.2,;2.94,-5.05,;2.47,-3.59,;1.1,-2.89,;1.79,-1.51,;3.17,-2.21,;1.32,-.05,;2.22,1.2,;1.32,2.44,;1.79,3.91,;.76,5.05,;1.24,6.52,;2.75,6.84,;3.78,5.69,;5.28,6.01,;3.3,4.23,;4.33,3.08,;-.15,1.97,;-1.48,2.74,;-2.81,1.97,;-4.15,2.74,;-5.48,3.51,;-2.81,.43,;-4.15,-.34,;-1.48,-.34,;-.15,.43,;4.45,-5.37,;5.48,-4.23,;4.93,-6.84,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1C[C@@H](C1)S(C)(=O)=O |r,wU:20.22,wD:22.27,(-4.05,-.66,;-2.71,.11,;-1.38,-.66,;-.05,.11,;1.42,-.37,;2.32,.88,;1.42,2.12,;1.89,3.59,;.86,4.73,;1.34,6.2,;2.85,6.52,;3.88,5.37,;5.38,5.69,;3.4,3.91,;4.43,2.76,;-.05,1.65,;-1.38,2.42,;-2.71,1.65,;-4.05,2.42,;-5.38,3.19,;1.89,-1.83,;3.27,-2.53,;2.57,-3.91,;1.19,-3.21,;3.04,-5.37,;1.55,-4.97,;2.01,-6.52,;4.55,-5.69,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1C[C@H](C1)S(C)(=O)=O |r,wU:20.22,22.27,(-4.05,-.66,;-2.71,.11,;-1.38,-.66,;-.05,.11,;1.42,-.37,;2.32,.88,;1.42,2.12,;1.89,3.59,;.86,4.73,;1.34,6.2,;2.85,6.52,;3.88,5.37,;5.38,5.69,;3.4,3.91,;4.43,2.76,;-.05,1.65,;-1.38,2.42,;-2.71,1.65,;-4.05,2.42,;-5.38,3.19,;1.89,-1.83,;3.27,-2.53,;2.57,-3.91,;1.19,-3.21,;3.04,-5.37,;1.55,-4.97,;2.01,-6.52,;4.55,-5.69,)|
CC(=O)N1CCC(CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)C1CC2(COC2)C1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(cc1)S(C)(=O)=O
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(nc1)S(C)(=O)=O
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(cc1)S(N)(=O)=O
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(cn1)S(C)(=O)=O
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc2cncn2c1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccn2cnnc2c1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccn2cncc2c1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc(=O)n(C)c1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccn(C)c(=O)c1
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)-c1ccc2nncn2c1
Cc1cc2n(cc(-c3ccc(Br)c(N)c3C)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(-3.95,-1.54,;-2.61,-.77,;-1.28,-1.54,;.06,-.77,;1.52,-1.25,;2.43,,;1.52,1.25,;2,2.71,;.97,3.86,;1.44,5.32,;2.95,5.64,;3.42,7.1,;3.98,4.5,;5.49,4.82,;3.5,3.03,;4.53,1.89,;.06,.77,;-1.28,1.54,;-2.61,.77,;-3.95,1.54,;-5.49,1.54,;2,-2.71,;.97,-3.86,;1.44,-5.32,;2.95,-5.64,;3.42,-7.1,;3.98,-4.5,;3.5,-3.03,)|
Cc1cc2n(cc(-c3cncc4NC(C)(C)C=Cc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,c:16,(-6.1,.69,;-4.64,1.16,;-3.49,.13,;-2.03,.61,;-.69,-.16,;.45,.87,;-.17,2.28,;.6,3.61,;-.17,4.94,;.6,6.28,;2.14,6.28,;2.91,4.94,;4.45,4.94,;5.22,3.61,;6.55,4.38,;6.55,2.84,;4.45,2.28,;2.91,2.28,;2.14,3.61,;-1.71,2.12,;-2.85,3.15,;-4.32,2.67,;-5.46,3.7,;-6.55,4.79,;-.53,-1.69,;.88,-2.3,;1.07,-3.82,;-.16,-4.75,;.02,-6.28,;-1.58,-4.14,;-1.76,-2.62,)|
Cc1cc2n(cc(-c3cncc4NC(C)(C)CCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-6.1,.69,;-4.64,1.16,;-3.49,.13,;-2.03,.61,;-.69,-.16,;.45,.87,;-.17,2.28,;.6,3.61,;-.17,4.94,;.6,6.28,;2.14,6.28,;2.91,4.94,;4.45,4.94,;5.22,3.61,;6.55,4.38,;6.55,2.84,;4.45,2.28,;2.91,2.28,;2.14,3.61,;-1.71,2.12,;-2.85,3.15,;-4.32,2.67,;-5.46,3.7,;-6.55,4.79,;-.53,-1.69,;.88,-2.3,;1.07,-3.82,;-.16,-4.75,;.02,-6.28,;-1.58,-4.14,;-1.76,-2.62,)|
Cc1cc2n(cc(-c3cncc4NCCOc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:22.25,wD:25.29,(-4.56,-.81,;-3.23,-.04,;-1.9,-.81,;-.56,-.04,;.9,-.51,;1.81,.73,;.9,1.98,;1.38,3.44,;.35,4.59,;.82,6.05,;2.33,6.37,;3.36,5.23,;4.87,5.55,;5.9,4.4,;5.42,2.94,;3.91,2.62,;2.88,3.76,;-.56,1.5,;-1.9,2.27,;-3.23,1.5,;-4.56,2.27,;-5.9,3.04,;1.38,-1.98,;2.88,-2.3,;3.36,-3.76,;2.33,-4.91,;2.81,-6.37,;.82,-4.59,;.35,-3.12,)|
Cc1cc2n(cc(-c3cnc4CCC(C)(C)Nc4c3)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-5.03,-1.7,;-3.7,-.93,;-2.36,-1.7,;-1.03,-.93,;.44,-1.41,;1.34,-.16,;.44,1.09,;.91,2.55,;-.12,3.69,;.36,5.16,;1.86,5.48,;2.34,6.94,;3.85,7.26,;4.88,6.12,;5.97,7.21,;6.36,5.72,;4.4,4.66,;2.89,4.34,;2.42,2.87,;-1.03,.61,;-2.36,1.38,;-3.7,.61,;-5.03,1.38,;-6.36,2.15,;.91,-2.87,;2.42,-3.19,;2.89,-4.66,;1.86,-5.8,;2.34,-7.26,;.36,-5.48,;-.12,-4.02,)|
Cc1cc2n(cc(-c3cnc4C=CC(C)(C)Nc4c3)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,c:11,(-5.03,-1.87,;-3.7,-1.1,;-2.36,-1.87,;-1.03,-1.1,;.44,-1.58,;1.34,-.33,;.44,.91,;.91,2.38,;-.12,3.52,;.36,4.99,;1.86,5.31,;2.34,6.77,;3.85,7.09,;4.88,5.95,;5.27,7.44,;6.36,6.35,;4.4,4.48,;2.89,4.16,;2.42,2.7,;-1.03,.44,;-2.36,1.21,;-3.7,.44,;-5.03,1.21,;-6.36,1.98,;.91,-3.04,;-.12,-4.19,;.36,-5.65,;1.86,-5.97,;2.34,-7.44,;2.89,-4.83,;2.42,-3.36,)|
Cc1cc2n(cc(-c3cnc4CCC(C)(C)Nc4c3)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,(-5.03,-1.87,;-3.7,-1.1,;-2.36,-1.87,;-1.03,-1.1,;.44,-1.58,;1.34,-.33,;.44,.91,;.91,2.38,;-.12,3.52,;.36,4.99,;1.86,5.31,;2.34,6.77,;3.85,7.09,;4.88,5.95,;5.27,7.44,;6.36,6.35,;4.4,4.48,;2.89,4.16,;2.42,2.7,;-1.03,.44,;-2.36,1.21,;-3.7,.44,;-5.03,1.21,;-6.36,1.98,;.91,-3.04,;-.12,-4.19,;.36,-5.65,;1.86,-5.97,;2.34,-7.44,;2.89,-4.83,;2.42,-3.36,)|
Cc1cc2n(cc(-c3cnc4C=CC(C)(C)Nc4c3)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,c:11,(-5.03,-1.7,;-3.7,-.93,;-2.36,-1.7,;-1.03,-.93,;.44,-1.41,;1.34,-.16,;.44,1.09,;.91,2.55,;-.12,3.69,;.36,5.16,;1.86,5.48,;2.34,6.94,;3.85,7.26,;4.88,6.12,;5.97,7.21,;6.36,5.72,;4.4,4.66,;2.89,4.34,;2.42,2.87,;-1.03,.61,;-2.36,1.38,;-3.7,.61,;-5.03,1.38,;-6.36,2.15,;.91,-2.87,;2.42,-3.19,;2.89,-4.66,;1.86,-5.8,;2.34,-7.26,;.36,-5.48,;-.12,-4.02,)|
Cc1cc2n(cc(-c3cccc4NC(C)(C)C=Cc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,c:16,(-5.32,-.81,;-3.98,-.04,;-2.65,-.81,;-1.32,-.04,;.15,-.51,;1.05,.73,;.15,1.98,;.62,3.44,;-.41,4.59,;.07,6.05,;1.58,6.37,;2.61,5.23,;4.11,5.55,;5.14,4.4,;6.65,4.72,;5.54,5.89,;4.67,2.94,;3.16,2.62,;2.13,3.76,;-1.32,1.5,;-2.65,2.27,;-3.98,1.5,;-5.32,2.27,;-6.65,3.04,;.62,-1.98,;2.13,-2.3,;2.61,-3.76,;1.58,-4.91,;2.05,-6.37,;.07,-4.59,;-.41,-3.12,)|
Cc1cc2n(cc(-c3cccc4NC(C)(C)C=Cc34)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,c:16,(-5.32,-.81,;-3.98,-.04,;-2.65,-.81,;-1.32,-.04,;.15,-.51,;1.05,.73,;.15,1.98,;.62,3.44,;-.41,4.59,;.07,6.05,;1.58,6.37,;2.61,5.23,;4.11,5.55,;5.14,4.4,;6.65,4.72,;5.54,5.89,;4.67,2.94,;3.16,2.62,;2.13,3.76,;-1.32,1.5,;-2.65,2.27,;-3.98,1.5,;-5.32,2.27,;-6.65,3.04,;.62,-1.98,;-.41,-3.12,;.07,-4.59,;1.58,-4.91,;2.05,-6.37,;2.61,-3.76,;2.13,-2.3,)|
Cc1cc2n(cc(-c3cccc4NC(C)(C)CCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-6.2,.68,;-4.74,1.16,;-3.59,.13,;-2.13,.61,;-.8,-.16,;.35,.87,;-.28,2.27,;.49,3.61,;-.28,4.94,;.49,6.27,;2.03,6.27,;2.8,4.94,;4.34,4.94,;5.11,3.61,;6.65,3.61,;5.88,4.94,;4.34,2.27,;2.8,2.27,;2.03,3.61,;-1.81,2.11,;-2.95,3.14,;-4.42,2.67,;-5.56,3.7,;-6.65,4.79,;-.64,-1.7,;.79,-2.28,;.99,-3.81,;-.23,-4.75,;-.02,-6.27,;-1.65,-4.16,;-1.86,-2.64,)|
Cc1cc2n(cc(-c3cccc4NCCCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:22.25,wD:25.29,(-4.56,-.81,;-3.23,-.04,;-1.9,-.81,;-.56,-.04,;.9,-.51,;1.81,.73,;.9,1.98,;1.38,3.44,;.35,4.59,;.82,6.05,;2.33,6.37,;3.36,5.23,;4.87,5.55,;5.9,4.4,;5.42,2.94,;3.91,2.62,;2.88,3.76,;-.56,1.5,;-1.9,2.27,;-3.23,1.5,;-4.56,2.27,;-5.9,3.04,;1.38,-1.98,;2.88,-2.3,;3.36,-3.76,;2.33,-4.91,;2.81,-6.37,;.82,-4.59,;.35,-3.12,)|
Cc1cc2n(cc(-c3cccc4NCCCc34)c2cc1C#N)[C@@H]1CC[C@@H](O)C1 |r|
Cc1cc2n(cc(-c3cccc4NCCc34)c2cc1C#N)[C@@H]1CC[C@@H](O)C1 |r|
Cc1cc2n(cc(-c3cccc4NCC(C)(C)Cc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-5.82,.69,;-4.35,1.17,;-3.21,.14,;-1.74,.61,;-.41,-.16,;.73,.87,;.11,2.28,;.88,3.61,;.11,4.95,;.88,6.28,;2.42,6.28,;3.19,4.95,;4.73,4.95,;5.5,3.61,;4.73,2.28,;6.27,2.28,;5.5,.94,;3.19,2.28,;2.42,3.61,;-1.42,2.12,;-2.57,3.15,;-4.03,2.67,;-5.18,3.7,;-6.27,4.79,;-.25,-1.69,;1.16,-2.3,;1.34,-3.83,;.1,-4.75,;.28,-6.28,;-1.31,-4.14,;-1.49,-2.61,)|
Cc1cc2n(cc(-c3cccc4NCC(C)(C)Cc34)c2cc1C#N)[C@@H]1CC[C@H](O)CC1 |r,wU:24.27,27.31,(-5.82,.69,;-4.35,1.17,;-3.21,.14,;-1.74,.61,;-.41,-.16,;.73,.87,;.11,2.28,;.88,3.61,;.11,4.95,;.88,6.28,;2.42,6.28,;3.19,4.95,;4.73,4.95,;5.5,3.61,;4.73,2.28,;6.27,2.28,;5.5,.94,;3.19,2.28,;2.42,3.61,;-1.42,2.12,;-2.57,3.15,;-4.03,2.67,;-5.18,3.7,;-6.27,4.79,;-.25,-1.69,;-1.49,-2.61,;-1.31,-4.14,;.1,-4.75,;.28,-6.28,;1.34,-3.83,;1.16,-2.3,)|
Cc1cc2n(cc(-c3cccc4NC(=O)CCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:23.26,wD:26.30,(-5.32,-.81,;-3.98,-.04,;-2.65,-.81,;-1.32,-.04,;.15,-.51,;1.05,.73,;.15,1.98,;.62,3.44,;-.41,4.59,;.07,6.05,;1.58,6.37,;2.61,5.23,;4.11,5.55,;5.14,4.4,;6.65,4.72,;4.67,2.94,;3.16,2.62,;2.13,3.76,;-1.32,1.5,;-2.65,2.27,;-3.98,1.5,;-5.32,2.27,;-6.65,3.04,;.62,-1.98,;2.13,-2.3,;2.61,-3.76,;1.58,-4.91,;2.05,-6.37,;.07,-4.59,;-.41,-3.12,)|
Cc1cc2n(cc(-c3cccc4NCCc34)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:21.24,wD:24.28,(-4.3,-.81,;-2.97,-.04,;-1.64,-.81,;-.3,-.04,;1.16,-.51,;2.07,.73,;1.16,1.98,;1.64,3.44,;.61,4.59,;1.08,6.05,;2.59,6.37,;3.62,5.23,;5.16,5.23,;5.64,3.76,;4.39,2.86,;3.14,3.76,;-.3,1.5,;-1.64,2.27,;-2.97,1.5,;-4.3,2.27,;-5.64,3.04,;1.64,-1.98,;3.14,-2.3,;3.62,-3.76,;2.59,-4.91,;3.07,-6.37,;1.08,-4.59,;.61,-3.12,)|
Cc1cc2n(cc(-c3ccc4CCNc4c3C)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:22.25,wD:25.29,(-4,-1.47,;-2.66,-.7,;-1.33,-1.47,;0,-.7,;1.47,-1.18,;2.37,.07,;1.47,1.31,;1.94,2.78,;.91,3.92,;1.39,5.39,;2.89,5.71,;3.66,7.04,;5.17,6.72,;5.33,5.19,;3.93,4.56,;3.45,3.1,;4.48,1.95,;0,.84,;-1.33,1.61,;-2.66,.84,;-4,1.61,;-5.33,2.38,;1.94,-2.65,;3.45,-2.97,;3.93,-4.43,;2.89,-5.57,;3.37,-7.04,;1.39,-5.25,;.91,-3.79,)|
Cc1c(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc2n1CCCS(C)(=O)=O |(3.86,1.14,;2.32,1.14,;1.42,2.39,;1.89,3.86,;.86,5,;1.34,6.46,;2.85,6.78,;3.88,5.64,;5.38,5.96,;3.4,4.18,;4.43,3.03,;-.05,1.91,;-1.38,2.68,;-2.71,1.91,;-4.05,2.68,;-5.38,3.45,;-2.71,.37,;-4.05,-.4,;-1.38,-.4,;-.05,.37,;1.42,-.1,;1.89,-1.57,;.86,-2.71,;1.34,-4.18,;.31,-5.32,;.78,-6.78,;-1.18,-4.92,;-.78,-6.41,)|
Cc1cc2n(cc(-c3cnc(Br)c(N)c3Cl)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:21.23,(-4.05,-1.54,;-2.71,-.77,;-1.38,-1.54,;-.05,-.77,;1.42,-1.25,;2.32,,;1.42,1.25,;1.89,2.71,;.86,3.86,;1.34,5.32,;2.85,5.64,;3.32,7.1,;3.88,4.5,;5.38,4.82,;3.4,3.03,;4.43,1.89,;-.05,.77,;-1.38,1.54,;-2.71,.77,;-4.05,1.54,;-5.38,2.31,;1.89,-2.71,;.86,-3.86,;1.34,-5.32,;2.85,-5.64,;3.32,-7.1,;3.88,-4.5,;3.4,-3.03,)|
CN(C)S(=O)(=O)[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:9.12,wD:6.5,(5.64,-4.74,;4.55,-5.83,;4.95,-7.32,;3.06,-5.43,;1.58,-5.03,;1.97,-6.52,;2.59,-3.96,;3.62,-2.82,;3.14,-1.36,;1.64,-1.04,;.61,-2.18,;1.08,-3.64,;1.16,.43,;2.06,1.68,;1.16,2.92,;1.64,4.39,;.61,5.53,;1.08,6.99,;2.59,7.32,;3.62,6.17,;5.12,6.49,;3.14,4.71,;4.17,3.56,;-.31,2.45,;-1.64,3.22,;-2.97,2.45,;-4.31,3.22,;-5.64,3.99,;-2.97,.91,;-4.31,.14,;-1.64,.14,;-.31,.91,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)S(N)(=O)=O |r,wU:20.22,wD:23.29,(-4.05,-.26,;-2.71,.51,;-1.38,-.26,;-.05,.51,;1.42,.03,;2.32,1.28,;1.42,2.52,;1.89,3.99,;.86,5.13,;1.34,6.6,;2.85,6.92,;3.88,5.77,;5.38,6.09,;3.4,4.31,;4.43,3.16,;-.05,2.05,;-1.38,2.82,;-2.71,2.05,;-4.05,2.82,;-5.38,3.59,;1.89,-1.43,;3.4,-1.75,;3.88,-3.22,;2.85,-4.36,;1.34,-4.04,;.86,-2.58,;3.32,-5.83,;4.81,-6.23,;1.83,-5.43,;2.23,-6.92,)|
CC(=O)[C@H]1CC[C@@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:6.9,wD:3.2,(4.83,-6.12,;3.32,-5.8,;2.29,-6.94,;2.85,-4.34,;3.88,-3.19,;3.4,-1.73,;1.89,-1.41,;.86,-2.55,;1.34,-4.02,;1.42,.06,;2.32,1.3,;1.42,2.55,;1.89,4.02,;.86,5.16,;1.34,6.62,;2.85,6.94,;3.88,5.8,;5.38,6.12,;3.4,4.34,;4.43,3.19,;-.05,2.07,;-1.38,2.84,;-2.71,2.07,;-4.05,2.84,;-5.38,3.61,;-2.71,.53,;-4.05,-.24,;-1.38,-.24,;-.05,.53,)|
CC(=O)[C@H]1CC[C@H](CC1)n1cc(-c2cncc(N)c2Cl)c2cc(C#N)c(C)cc12 |r,wU:6.9,3.2,(4.83,-6.12,;3.32,-5.8,;2.29,-6.94,;2.85,-4.34,;1.34,-4.02,;.86,-2.55,;1.89,-1.41,;3.4,-1.73,;3.88,-3.19,;1.42,.06,;2.32,1.3,;1.42,2.55,;1.89,4.02,;.86,5.16,;1.34,6.62,;2.85,6.94,;3.88,5.8,;5.38,6.12,;3.4,4.34,;4.43,3.19,;-.05,2.07,;-1.38,2.84,;-2.71,2.07,;-4.05,2.84,;-5.38,3.61,;-2.71,.53,;-4.05,-.24,;-1.38,-.24,;-.05,.53,)|
Cc1cc2n(cc(-c3cncc(N)c3Cl)c2cc1C#N)[C@H]1CC[C@@H](CC1)C#N |r,wU:20.22,wD:23.29,(-4.05,-.08,;-2.71,.69,;-1.38,-.08,;-.05,.69,;1.42,.22,;2.32,1.46,;1.42,2.71,;1.89,4.18,;.86,5.32,;1.34,6.78,;2.85,7.1,;3.88,5.96,;5.38,6.28,;3.4,4.5,;4.43,3.35,;-.05,2.23,;-1.38,3,;-2.71,2.23,;-4.05,3,;-5.38,3.77,;1.89,-1.25,;3.4,-1.57,;3.88,-3.03,;2.86,-4.23,;1.34,-3.86,;.86,-2.39,;3.34,-5.69,;3.81,-7.16,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2cncc12
CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)COc3c2)n2cncc12
CC(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12 |r|
CS(=O)(=O)N1CC(CCO)(C1)N1CCC(CC1)N[C@@H]1CC1c1ccccc1 |r|
OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccc(cc3F)C#N)CC2)CC1 |r|
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC(N)CC1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC2(C1)CCCNC2
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC2(CNC2)C1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC2(CCNC2)C1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1[C@H]2CC[C@H]1CC(N)C2 |r,THB:30:29:25.26:23|
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@](C)(N)C1
Cc1ccc(c(Cl)c1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
Cc1ccc(cc1Cl)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(c(F)c2)C(F)(F)F)c(c1)-c1ccc(cc1)C#N
Cc1ccc(-c2ccc(cc2-c2ccc(cc2)C#N)C(=O)N2CC[C@H](N)C2)c(c1)[N+]([O-])=O
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C(F)F)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)-c1ccc(cc1)C#N
Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:31:30:26.27:24|
Cn1ccc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:34:33:29.30:27|
Cc1ccc(cc1)-c1ccc(cc1-c1cc(F)c(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:32:31:27.28:25|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CNC2
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:36:35:31.32:29|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CO)cc2)c(c1)-c1ccc(cc1)C#N
COCCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCO)cc2)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCCO)cc2)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C2(CO)CC2)c(c1)-c1ccc(cc1)C#N
CC(C)(O)Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
CC(O)COc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2(C1)CNCCO2
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CNCC2C1
CC(C)(O)Cc1ccc(cc1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CN[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(C)cc2)c(c1)-c1ccc(cc1)C#N
CC(=O)OCCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
CN[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCO)cc2)c(c1)-c1ccc(cc1)C#N
CN[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCOC)cc2)c(c1)-c1ccc(cc1)C#N
CN(C)[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C2(CO)CC2)c(c1)-c1ccc(cc1)C#N
Cc1ccc(cc1F)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(Br)cc2)c(c1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1C[C@@H]2C[C@H]1CN2 |TLB:21:23:29.28:26|
NCCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(I)cc2)c(c1)-c1ccc(cc1)C#N
CC(=O)NCCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
CCCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc3ccccc3c2)c(c1)-c1ccc(cc1)C#N
CN[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C2(CO)CC2)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CC3(O)CC3)cc2)c(c1)-c1ccc(cc1)C#N
[#6]\[#6](-[#6])=[#6]\c1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6@H](-[#7])-[#6]-1
CC(C)(O)CCc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCC3(O)CC3)cc2)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCO)cc2)c(c1)-c1ccc(C#N)c(F)c1
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
CC(C)(O)CCc1ccc(cc1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
COCC1(CC1)c1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CC3(O)CC3)cc2F)c(c1)-c1ccc(cc1)C#N
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(cc2)C2(CC2)C2(O)CC2)c(c1)-c1ccc(cc1)C#N
COCCc1ccc(cc1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCO)cc2F)c(c1)-c1ccc(cc1)C#N
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CCCC1
CC(C)(CO)c1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CCF)cc2)c(c1)-c1ccc(cc1)C#N
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CNC2)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2(C1)CCCNC2
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CNC2)C1
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2(C1)CCCNC2
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CCNC2)CC1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC2(CNC2)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CCN2)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2 |TLB:26:28:34.33:31|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CCN2)CC1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2(C1)CCNCC2
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C[C@H]2C[C@@H]1CN2 |TLB:26:28:34.33:31|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2C |TLB:35:34:28.29:31,26:28:33.34:31|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C[C@H]2C[C@@H]1CN2C |TLB:35:34:28.29:31,26:28:33.34:31|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc3scnc3c2)c(c1)-c1ccc(C#N)c(F)c1
Cn1ncc2cc(cnc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1cnc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1ncc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1cc2cc(ccc2n1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=S)N1CC[C@H](N)C1
Cn1cnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(F)cc2)c(c1)-c1ccc(cc1)C#N |TLB:0:1:4.5:8|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)-c1ccc(cc1)C#N |TLB:0:1:4.5:8|
CN(C)c1ccc(cn1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1nnc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1cnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1nc2cc(ccc2n1C)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3ccccc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3cccnc3c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
CN1CCOc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3cccnc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
Cn1cnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1ncc2c(F)c(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1cc2cc(ccc2n1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1C2CCC1CC(N)C2 |THB:33:32:28.29:26|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(C2)NC(C)C |THB:36:34:28:30.31|
CC(C)NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc(CC(C)(C)O)cc2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:3:4:11:7.8|
CCN[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(C)c3cc2F)c(c1)-c1ccc(C#N)c(F)c1
CC(C)N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(C)c3cc2F)c(c1)-c1ccc(C#N)c(F)c1
Cn1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](C1)NC1CCC1
CN1CCc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CN1CCOc2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1c2ccc(cc2oc1=O)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1c2ccc(cc2sc1=O)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc3OCCOc3c2)c(c1)-c1ccc(C#N)c(F)c1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc3OCOc3c2)c(c1)-c1ccc(C#N)c(F)c1
Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1(N)CCC2
Cn1cnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:36:35:31.32:29|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCCC1CC(N)C2 |THB:36:35:30.31.32:28|
CN(C)c1ccc(cn1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:33:32:28.29:26|
CN1C(=O)C(C)(C)c2cc(ccc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:37:36:32.33:30|
Cn1c2ccc(cc2sc1=O)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:39:38:34.35:32|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3COCc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
CC(C)n1c2ccc(cc2sc1=O)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:37:36:32.33:30|
CC(C)(C)n1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:38:37:33.34:31|
Fc1cc(ccc1C#N)-c1cc(ccc1-c1ccc2COCc2c1)C(=O)N1CCCC1
Cn1c2cc(F)c(cc2sc1=O)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:39:38:34.35:32|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |THB:34:33:30.31:28|
Cc1ccc(c(F)c1F)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:33:32:28.29:26|
Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:36:35:31.32:29|
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3nccnc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3ccncc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2ccc3ncccc3c2)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |TLB:34:33:31.30:28|
Cc1cnn2cc(cnc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:34:33:29.30:27|
CC(C)(O)Cn1cc2cc(c(F)cc2n1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:39:38:34.35:32|
CCn1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:36:35:31.32:29|
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](N)C1 |r|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC(N)CC1
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CCCn1nnc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:37:36:32.33:30|
COCCn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3ccn(CCO)c3cc2F)c(c1)-c1ccc(C#N)c(F)c1
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |TLB:38:37:35.34:32|
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CCC1C2N |THB:30:32:38:35.36|
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CCC1C2N |THB:27:29:35:32.33|
Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:38:37:35.34:32|
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cn1nc(Br)c2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1nn(CC(C)(C)O)c2cc(F)c(cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](N)C2 |TLB:38:37:35.34:32|
COc1c(F)c(cc2cnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
CC(C)(O)CCn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CCC2
CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)C1CC2(CNC2)CN1
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)C1CC2(CNC2)CN1
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2(C1)CCCNC2
Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:34:33:31.30:28|
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CNCC2C1
CCC(O)(CC)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CCC(O)(CC)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
CCC(O)(CC)Cn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3ccn(CC(O)=O)c3cc2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2ccc(CC(O)=O)cc2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
CC(C)(O)Cn1cc(C(O)=O)c2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
Cn1cc(C(O)=O)c2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:37:36:34.33:31|
CC(C)(O)CC1OCc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:38:37:35.34:32|
CC(C)(O)CC1OCc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1c(F)c(cc2nnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3ccn(CC(N)=O)c3cc2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
CNC(=O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:38:37:35.34:32|
CN(C)C(=O)Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2ccc(CC(N)=O)cc2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
CNC(=O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
CN(C)C(=O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1CC2 |r|
CNC(=O)Cc1cn(C)c2cc(F)c(cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CN(C)C(=O)Cc1cn(C)c2cc(F)c(cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
Cc1c(F)c(cc2nnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Cc1c(F)c(cc2nnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
Cn1cc(CC(N)=O)c2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:38:37:35.34:32|
CC(C)(O)Cn1nnc2cc(c(F)c(C(F)F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
CC(C)(O)Cn1nnc2cc(c(F)c(C#N)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
CC(C)(O)Cn1nnc2cc(c(F)c(C(F)F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(C#N)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(C(F)F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
CC(C)(O)Cn1nnc2cc(c(F)c(C#N)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(F)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(F)c2F)c(c1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(F)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1
Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7|
N[C@H]1CCN(C1)C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(C(F)F)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(C#N)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(C#N)c2F)c(c1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(C#N)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:0:1:4.5:8|
Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:40:39:37.36:34|
Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
CC(C)(O)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
CC(C)(O)Cn1nnc2cc(c(F)c(C3CC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |TLB:41:40:38.37:35|
CC(C)(O)Cn1nnc2cc(c(F)c(C3CC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1nnc2cc(c(F)c(C3CC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
Cn1cc2cc(ccc2n1)-c1cnc(nc1-c1ccc(cc1)C#N)N1C2CCC1CC(N)C2 |THB:31:30:26.27:24|
N[C@H]1CCN(C1)C(=O)c1cc(-c2ccc(F)cc2)n(n1)-c1ccc(cc1)C#N
Fc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCCC2(CNC2)C1
N[C@@H]1CCCN(C1)C(=O)c1ccc(OCc2cccnc2)c(c1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C(F)(F)F)C(=O)N1CCCC1
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC(C1)c1cccnc1
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)c3nccn23)C1 |r|
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccccc1
CS(=O)(=O)N1CCC(F)(CNC2CC2c2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCNCC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CNC1
COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OC1CCNCC1
N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1 |r,wU:1.0,4.4,wD:4.5,(6.77,-2.21,;5.44,-1.44,;4.1,-2.21,;2.77,-1.44,;2.77,.1,;2.77,1.64,;1.44,.87,;.1,.1,;-1.23,.87,;-2,2.21,;-2.77,.87,;-4.1,.1,;-5.44,.87,;-6.77,.1,;-6.77,-1.44,;-5.44,-2.21,;-4.1,-1.44,;4.1,.87,;5.44,.1,)|
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)C#N)CC1
OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccncc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccsc2)CC1
COC(=O)CCN1CCC(F)(CNC2CC2c2ccccc2)CC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCN(CC2CC2)CC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCc1ccccc1
Nc1ccccc1NC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)Oc1ccccc1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)CCC1CCCCC1
OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
CNC1CCC(F)(CNC2CC2c2ccccc2)CC1 |(7.44,-1.44,;6.1,-2.21,;4.77,-1.44,;4.77,.1,;3.44,.87,;2.1,.1,;2.1,1.64,;.77,.87,;-.56,.1,;-1.9,.87,;-2.67,2.21,;-3.44,.87,;-4.77,.1,;-6.1,.87,;-7.44,.1,;-7.44,-1.44,;-6.1,-2.21,;-4.77,-1.44,;2.1,-1.44,;3.44,-2.21,)|
COC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CCCc2ccccc2)CC1
CCOC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(Br)s3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(F)cc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CCCC2CCCCC2)CC1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(Cl)cc3)CC2)cc1
CN1CCC(F)(CNC2CC2c2ccccc2)CC1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccc(cc3)C(F)(F)F)CC2)cc1
CS(=O)(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccccc3)CC2)cc1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3ccccc3)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
CC(C)(C)OC(=O)c1ccc(CN2CCC(F)(CNC3CC3c3ccc(s3)-c3cccc4ccccc34)CC2)cc1
FC1(CNC2CC2c2ccccc2)CCCCC1
FC(F)(F)c1ccc(cc1)-c1ccc(s1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CNC2CC2c2ccccc2)CCC(CC1)NC(=O)OCc1ccccc1 |(-1.23,2.8,;-1.23,1.26,;-2.56,2.03,;-3.9,1.26,;-5.23,2.03,;-6,3.36,;-6.77,2.03,;-8.11,1.26,;-9.44,2.03,;-10.77,1.26,;-10.77,-.28,;-9.44,-1.05,;-8.11,-.28,;.1,2.03,;1.44,1.26,;1.44,-.28,;.1,-1.05,;-1.23,-.28,;2.77,-1.05,;4.1,-.28,;4.1,1.26,;5.44,-1.05,;6.77,-.28,;8.11,-1.05,;8.11,-2.59,;9.44,-3.36,;10.77,-2.59,;10.77,-1.05,;9.44,-.28,)|
FC1(CNC2CC2c2ccc(Br)s2)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCc1ccncc1
COc1ccc(cc1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CNC2CC2c2ccc(s2)C2CC2)CCN(CC1)C(=O)OCC1CCNCC1
CN1CCC(COC(=O)N2CCC(F)(CNC3CC3c3ccccc3)CC2)CC1
FC1(CNC2CC2c2ccc(s2)C#Cc2ccc(cc2)C#N)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CNC2CC2c2ccccc2)CCN(CC1)C(=O)OCC1CCN(Cc2ccccc2)CC1
FC1(CNC2CC2c2ccc(nc2)-c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1
OC(=O)c1ccc(CN2CCC(COC(=O)N3CCC(F)(CNC4CC4c4ccccc4)CC3)CC2)cc1
CCc1ccc(Oc2ccc(cn2)C2CC2NCC2(F)CCN(CC2)C(=O)OCC2CCNCC2)cc1
FC1(CNC2CC2c2ccccc2)CCN(CC1)S(=O)(=O)CC1CCNCC1
FC(F)(F)c1cccc(c1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F
Fc1ccc(cc1)-c1ccc(cn1)C1CC1NCC1(F)CCN(CC1)C(=O)OCC1CCNCC1
FC1(CN[C@H]2C[C@@H]2c2ccccc2)CCN(CC1)C(=O)OCC1CCNCC1 |r|
OC(=O)c1ccc(CN2CCC(F)(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
OC(=O)c1ccc(CN2CCC(F)(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
N#Cc1ccc(cc1)-c1nc(NCC2CCNC2)ncc1C#CC1CC1
O=C([C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)c1ccccc1)N1CCCC1 |r|
O=C([C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)c1ccccc1)N1CCCCC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)c1ccccc1 |r|
CCN(CC)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)c1ccccc1 |r|
O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCC[C@H](NC(=O)c1ccccn1)C(=O)N1CCCCC1 |r|
C[C@]1(C[C@H]1c1ccc(F)cc1)NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccccc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCCCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCOCC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccccc1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCC[C@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N1CCCCC1 |r|
Fc1ccc(cc1)[C@@H]1CC1NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r|
COc1ccc(cc1)[C@@H]1C[C@H]1NCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCOC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r,$;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;$|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)NC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
COC(=O)CCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1CC1NCCCC[C@H](NC(=O)c1cnc[nH]1)C(=O)N1CCCCC1 |r|
CN1CCN(CC1)C(=O)[C@H](CCCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
COc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)COC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
COc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)CCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(C)CC1 |r|
CN([C@@H](CCCCNC1(C)C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)c1ccccc1 |r|
CN([C@@H](COCC(=O)NC1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)c1ccccc1 |r|
COCCOc1ccc(cc1)-c1c(nc(N2CCC(C)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
O=C(Nc1nncs1)c1cc(cs1)C1CC1NCC1CC1
Cc1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2C[C@H]2NC2CCC2)cn1 |r|
Cn1cc(NC(=O)c2cc(cs2)C2C[C@@H]2NC2CCC2)cn1 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N(C1CC2(C1)CN(CCS(N)(=O)=O)C2)C(=O)C(F)(F)F |r|
NC1CCN(CC1)c1nc(cn(Cc2ccccc2)c1=O)-c1ccc(cc1)C#N
Cc1ccc(Cn2cc(nc(N3CCC(N)CC3)c2=O)-c2ccc(cc2)C#N)cc1
NC1CCN(CC1)c1nc(cn(Cc2ccccc2F)c1=O)-c1ccc(cc1)C#N
NC1CCN(CC1)c1nc(cn(Cc2cccc(Cl)c2)c1=O)-c1ccc(cc1)C#N
Cn1cc(nc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
CCn1cc(nc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(cn(CC2CC2)c1=O)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(cn(Cc2cccc(F)c2)c1=O)-c1ccc(cc1)C#N
NC1CCN(CC1)c1nc(cn(Cc2ccc(F)cc2)c1=O)-c1ccc(cc1)C#N
COc1cccc(Cn2cc(nc(N3CCC(N)CC3)c2=O)-c2ccc(cc2)C#N)c1
COc1ccc(Cn2cc(nc(N3CCC(N)CC3)c2=O)-c2ccc(cc2)C#N)cc1
C[C@H](c1ccccc1)n1cc(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N |r|
C[C@@H](c1ccccc1)n1cc(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N |r|
NC1CCN(CC1)c1nc(cn(CC2CCOC2)c1=O)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(cn(CC2CCOCC2)c1=O)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(nc1)C#N
CNC1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n(C)c1=O
Cc1ccc(cc1)-c1c(nc(N2CCC(C)(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCCC(N)C2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC3CNCC3C2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC3(CCNC3)CC2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC3CNCC3CC2)c(=O)n1C)-c1ccc(cc1)C#N
CCn1c(-c2ccc(C)cc2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N
CCc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
CCc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
CCc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
COc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)c(=O)n1C)-c1ccc(cc1)C#N |r|
Cn1c(-c2ccc(cc2)C2CC2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N
Cn1c(-c2ccc(cc2)C2CC2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(cc1)C#N |r|
Cn1c(-c2ccc(cc2)C2CC2)c(nc(NC[C@@H]2CCNC2)c1=O)-c1ccc(cc1)C#N |r|
COCCn1c(-c2ccc(C)cc2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCO)-c1ccc(cc1)C#N
NC1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(cc2)C2CC2)n(CCO)c1=O
COCCCn1c(-c2ccc(C)cc2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCCO)-c1ccc(cc1)C#N
COCCn1c(-c2ccc(C)cc2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCO)-c1ccc(C#N)c(F)c1
COCCn1c(-c2ccc(C)cc2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1CCO)-c1ccc(C#N)c(F)c1 |r|
COCCCn1c(-c2ccc(C)cc2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1F)C#N
Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
Cn1c(-c2ccc(cc2)C2CC2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(nc1)C#N
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
Cn1c(-c2ccc(cc2)C2CC2)c(nc(N2CCC(N)CC2)c1=O)-c1ccc(nc1)C#N
COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(nc1)C#N |r|
COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 |r|
CCc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(nc1)C#N |r|
CCc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 |r|
Cn1c(-c2ccc(cc2)C2CC2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(nc1)C#N |r|
Cn1c(-c2ccc(cc2)C2CC2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(C#N)c(F)c1 |r|
Cn1cnc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
Cn1c(-c2ccc(OCC3CC3)cc2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(C#N)c(F)c1 |r|
CCOc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 |r|
Cn1c(-c2ccc(OC(F)(F)F)cc2)c(nc(NC[C@H]2CCNC2)c1=O)-c1ccc(C#N)c(F)c1 |r|
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n(CCCO)c1=O
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)cc2)n(CCO)c1=O
Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(nc1)C#N
COc1ccc(cc1)-c1c(cc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(nc1)C#N |r|
COc1ccc(cc1)-c1c(cc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 |r|
CCc1ccc(cc1)-c1c(cc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(nc1)C#N |r|
CCc1ccc(cc1)-c1c(cc(NC[C@H]2CCNC2)c(=O)n1C)-c1ccc(C#N)c(F)c1 |r|
Cn1c(-c2ccc(cc2)C2CC2)c(cc(NC[C@H]2CCNC2)c1=O)-c1ccc(nc1)C#N |r|
Cn1c(-c2ccc(cc2)C2CC2)c(cc(NC[C@H]2CCNC2)c1=O)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
CNC1CCN(CC1)c1cc(-c2ccc(cc2)C#N)c(-c2ccc(OC)cc2)n(C)c1=O
CNC1CCN(CC1)c1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)n(C)c1=O
CNC1CCN(CC1)c1cc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n(C)c1=O
COc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1CC1CC1)-c1ccc(cc1)C#N
CCn1c(-c2ccc(OC)cc2)c(cc(N2CCC(N)CC2)c1=O)-c1ccc(cc1)C#N
COc1ccc(cc1F)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C#N
COc1ccc(cc1F)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(cc(N2CCC(N)CC2)c(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(F)c2)n(C)c1=O
CCn1c(-c2ccc(OC)cc2)c(cc(N2CCC(N)CC2)c1=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CC(N)=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCC(N)=O)-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1CCCC(N)=O)-c1ccc(C#N)c(F)c1
CN(C)c1ccc(cn1)-c1c(cc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1cc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N(C)C)n(C)c1=O
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C(N)=O
CC(=O)c1ccc(cc1)-c1nc(N2CCC(N)CC2)c(=O)n(C)c1-c1ccc(C)cc1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(CO)cc1
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)c(=O)n1C)-c1ccc(cc1)C(F)F
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:72.75,77.79,69.71,10.12,4.7,wD:8.8,1.0,(24.63,-4.97,;23.3,-4.2,;23.3,-2.66,;21.97,-1.89,;20.63,-2.66,;20.63,-4.2,;21.97,-4.97,;19.3,-1.89,;17.97,-2.66,;17.2,-4,;16.43,-2.66,;15.09,-1.89,;15.09,-.35,;13.76,.42,;12.43,-.35,;12.43,-1.89,;13.76,-2.66,;11.09,.42,;11.09,1.96,;9.76,2.73,;8.42,1.96,;8.42,.42,;7.09,-.35,;5.76,.42,;4.42,-.35,;4.42,-1.89,;3.09,.42,;1.76,-.35,;.42,.42,;-.91,-.35,;-2.25,.42,;-3.58,-.35,;-4.91,.42,;-6.25,-.35,;-7.58,.42,;-8.91,-.35,;-10.25,.42,;-11.58,-.35,;-12.91,.42,;-14.25,-.35,;-15.58,.42,;-16.92,-.35,;-18.25,.42,;-19.58,-.35,;-20.92,.42,;-22.25,-.35,;-23.58,.42,;-24.92,-.35,;-26.25,.42,;-27.59,-.35,;-28.92,.42,;-30.25,-.35,;-31.59,.42,;-32.92,-.35,;-34.25,.42,;-35.59,-.35,;-36.92,.42,;-38.25,-.35,;-39.59,.42,;-40.92,-.35,;-42.26,.42,;-43.59,-.35,;-44.92,.42,;-46.26,-.35,;-46.26,-1.89,;-47.59,.42,;-48.92,-.35,;-50.26,.42,;-51.59,-.35,;-52.93,.42,;-53.09,1.95,;-54.59,2.27,;-55.36,.94,;-56.77,.31,;-56.61,-1.22,;-57.75,-2.25,;-55.1,-1.54,;-54.33,-.21,;9.76,-.35,)|
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:60.63,65.67,57.59,10.12,4.7,wD:8.8,1.0,(25.06,-4.86,;23.73,-4.09,;23.73,-2.55,;22.39,-1.78,;21.06,-2.55,;21.06,-4.09,;22.39,-4.86,;19.73,-1.78,;18.39,-2.55,;17.62,-3.89,;16.85,-2.55,;15.52,-1.78,;15.52,-.24,;14.18,.53,;12.85,-.24,;12.85,-1.78,;14.18,-2.55,;11.52,.53,;11.52,2.07,;10.18,2.84,;8.85,2.07,;8.85,.53,;7.52,-.24,;6.18,.53,;4.85,-.24,;4.85,-1.78,;3.52,.53,;2.18,-.24,;.85,.53,;-.49,-.24,;-1.82,.53,;-3.15,-.24,;-4.49,.53,;-5.82,-.24,;-7.15,.53,;-8.49,-.24,;-9.82,.53,;-11.16,-.24,;-12.49,.53,;-13.82,-.24,;-15.16,.53,;-16.49,-.24,;-17.82,.53,;-19.16,-.24,;-20.49,.53,;-21.82,-.24,;-23.16,.53,;-24.49,-.24,;-25.83,.53,;-27.16,-.24,;-28.49,.53,;-29.83,-.24,;-29.83,-1.78,;-31.16,.53,;-32.49,-.24,;-33.83,.53,;-35.16,-.24,;-36.5,.53,;-36.66,2.06,;-38.16,2.38,;-38.93,1.05,;-40.34,.42,;-40.18,-1.11,;-41.32,-2.14,;-38.67,-1.43,;-37.9,-.1,;10.18,-.24,)|
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:84.87,89.91,81.83,10.12,4.7,wD:8.8,1.0,(24.2,-5.04,;22.86,-4.27,;22.86,-2.73,;21.53,-1.96,;20.19,-2.73,;20.19,-4.27,;21.53,-5.04,;18.86,-1.96,;17.53,-2.73,;16.76,-4.06,;15.99,-2.73,;14.65,-1.96,;14.65,-.42,;13.32,.35,;11.99,-.42,;11.99,-1.96,;13.32,-2.73,;10.65,.35,;10.65,1.89,;9.32,2.66,;7.99,1.89,;7.99,.35,;6.65,-.42,;5.32,.35,;3.98,-.42,;3.98,-1.96,;2.65,.35,;1.32,-.42,;-.02,.35,;-1.35,-.42,;-2.68,.35,;-4.02,-.42,;-5.35,.35,;-6.68,-.42,;-8.02,.35,;-9.35,-.42,;-10.69,.35,;-12.02,-.42,;-13.35,.35,;-14.69,-.42,;-16.02,.35,;-17.35,-.42,;-18.69,.35,;-20.02,-.42,;-21.36,.35,;-22.69,-.42,;-24.02,.35,;-25.36,-.42,;-26.69,.35,;-28.02,-.42,;-29.36,.35,;-30.69,-.42,;-32.02,.35,;-33.36,-.42,;-34.69,.35,;-36.03,-.42,;-37.36,.35,;-38.69,-.42,;-40.03,.35,;-41.36,-.42,;-42.69,.35,;-44.03,-.42,;-45.36,.35,;-46.7,-.42,;-48.03,.35,;-49.36,-.42,;-50.7,.35,;-52.03,-.42,;-53.36,.35,;-54.7,-.42,;-56.03,.35,;-57.36,-.42,;-58.7,.35,;-60.03,-.42,;-61.37,.35,;-62.7,-.42,;-62.7,-1.96,;-64.03,.35,;-65.37,-.42,;-66.7,.35,;-68.03,-.42,;-69.37,.35,;-69.53,1.88,;-71.04,2.2,;-71.81,.87,;-73.21,.24,;-73.05,-1.29,;-74.2,-2.32,;-71.54,-1.61,;-70.77,-.28,;9.32,-.42,)|
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1 |r|
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC1CCNCC1 |r|
Cn1cc2cc(ccc2n1)-c1cnc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cnc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
Cn1cc2cc(ccc2n1)-c1cnc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(C[C@@H]3CCNC3)ncc2c1-c1ccc(cc1)C#N |r|
Cn1cc2cc(ccc2n1)-c1ncc2nn(C[C@@H]3CCNC3)cc2c1-c1ccc(cc1)C#N |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)cnc2c1-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1ncc2N(C[C@@H]3CCNC3)C(=O)Cc2c1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)cc(Cl)c2c1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc2NC(=O)Cc2c1 |r|
Cc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc2[nH]ncc2c1 |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
CNC(=O)c1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
CC(=O)Nc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
N#Cc1ccc(cc1)-c1cncc2n(C[C@@H]3CCNC3)ccc12 |r|
CCOc1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1)C#N |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CN1CC[C@@H](Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3nn(C)cc3c2)C1 |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cn1cc2cc(ccc2n1)-c1ncc2n(CC3CNC3)ccc2c1-c1ccc(cc1)C#N
Cn1cc2cc(ccc2n1)-c1ncc2n(CC3CCOCC3)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(ccc2c1-c1ccc(cc1)C#N)C1CCNCC1
Fc1cc(ccc1C#N)-c1c(ncc2n(C[C@@H]3CCNC3)ccc12)-c1ccc2[nH]ncc2c1 |r|
CC(C)n1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CC(C)n1cc2cc(ccc2n1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Fc1cc(ccc1C#N)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Fc1cc(ccc1C#N)-c1c(ncc2n(C[C@@H]3CCNC3)ccc12)-c1ccc2nccn2c1 |r|
CCn1cc2cc(ccc2n1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CCn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1cnc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2ccc(cc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1cc2ccc(cc2n1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cc1cc(C)n(n1)-c1ccc(cc1)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CN1CCOc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(c1)C(F)(F)F |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(cc1F)C#N |r,wD:16.17,(-6.87,-4.81,;-6.1,-3.48,;-7,-2.23,;-6.1,-.99,;-4.63,-1.46,;-3.3,-.69,;-1.97,-1.46,;-1.97,-3,;-3.3,-3.77,;-4.63,-3,;-.63,-.69,;.7,-1.46,;2.04,-.69,;2.04,.85,;3.18,1.88,;4.51,1.11,;5.28,2.44,;4.81,3.91,;6.05,4.81,;7.3,3.91,;6.82,2.44,;2.55,3.29,;1.02,3.12,;.7,1.62,;-.63,.85,;-1.97,1.62,;-3.3,.85,;-4.63,1.62,;-4.68,3.19,;-3.3,3.93,;-1.97,3.16,;-.63,3.93,;-6.01,3.96,;-7.35,4.73,)|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1ncc2n(C[C@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CCn1ncc2cc(ccc12)-c1ncc2n(C[C@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cc1nn(C)c2ccc(cc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CNCCO3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(Cc3c[nH]cn3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(Cc3cccnc3)ccc2c1-c1ccc(C#N)c(F)c1
CN1CCC[C@@H](Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)C1 |r|
CCN1CCC[C@@H](Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)C1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCCN(CCO)C3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(CC[C@@H]3CCCN3)ccc2c1-c1ccc(C#N)c(F)c1 |r|
CNC1CCC(CC1)n1ccc2c(-c3ccc(C#N)c(F)c3)c(ncc12)-c1ccc2n(C)ncc2c1 |(8.68,.67,;7.59,-.42,;6.11,-.02,;5.02,-1.11,;3.53,-.71,;3.13,.78,;4.22,1.87,;5.71,1.47,;1.8,1.55,;1.17,2.96,;-.36,2.8,;-.68,1.29,;-2.01,.52,;-3.35,1.29,;-4.68,.52,;-6.02,1.29,;-6.06,2.86,;-7.4,3.63,;-8.73,4.4,;-4.68,3.6,;-4.68,5.14,;-3.35,2.83,;-2.01,-1.02,;-.68,-1.79,;.65,-1.02,;.65,.52,;-3.35,-1.79,;-3.35,-3.33,;-4.68,-4.1,;-6.02,-3.33,;-7.48,-3.81,;-8.25,-5.14,;-8.39,-2.56,;-7.48,-1.31,;-6.02,-1.79,;-4.68,-1.02,)|
CN(C)C1CCC(CC1)n1ccc2c(-c3ccc(C#N)c(F)c3)c(ncc12)-c1ccc2n(C)ncc2c1 |(8.68,.67,;7.59,-.42,;7.99,-1.9,;6.11,-.02,;5.02,-1.11,;3.53,-.71,;3.13,.78,;4.22,1.87,;5.71,1.47,;1.8,1.55,;1.17,2.96,;-.36,2.8,;-.68,1.29,;-2.01,.52,;-3.35,1.29,;-4.68,.52,;-6.02,1.29,;-6.06,2.86,;-7.4,3.63,;-8.73,4.4,;-4.68,3.6,;-4.68,5.14,;-3.35,2.83,;-2.01,-1.02,;-.68,-1.79,;.65,-1.02,;.65,.52,;-3.35,-1.79,;-3.35,-3.33,;-4.68,-4.1,;-6.02,-3.33,;-7.48,-3.81,;-8.25,-5.14,;-8.39,-2.56,;-7.48,-1.31,;-6.02,-1.79,;-4.68,-1.02,)|
CC(C1CCNC1)n1ccc2c(-c3ccc(C#N)c(F)c3)c(ncc12)-c1ccc2n(C)ncc2c1
CN1CC[C@@H](Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)C1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3(O)CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(CC3(F)CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
CN1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
CCN1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
Cn1ncc2cc(ccc12)-c1ncc2n(CCCN)ccc2c1-c1ccc(C#N)c(F)c1
CN(C)CCCn1ccc2c(-c3ccc(C#N)c(F)c3)c(ncc12)-c1ccc2n(C)ncc2c1
Cn1ncc2cc(ccc12)-c1ncc2n(CCN)ccc2c1-c1ccc(C#N)c(F)c1
CN(C)CCn1ccc2c(-c3ccc(C#N)c(F)c3)c(ncc12)-c1ccc2n(C)ncc2c1
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CN1CCC(Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
CN1CCC(F)(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
CN1CCC(O)(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCN(CCO)CC3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(CCCN)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CCCCN)ccc2c1-c1ccc(cc1)C#N
CNCCCn1ccc2c(-c3ccc(cc3)C#N)c(ncc12)-c1ccc2n(C)ncc2c1
CCN1CCC(Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
CN1CC[C@@H](Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)C1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCN(CCO)CC3)ccc2c1-c1ccc(cc1)C#N
CN1CCCC(Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@@H]3CCNC3)ccc2c1-c1cccc(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(ccc2c1-c1ccc(cc1)C#N)C1CCCNCC1
Cc1cc(ccc1C#N)-c1c(ncc2n(CC3CCNCC3)ccc12)-c1ccc2n(C)ncc2c1
Cn1ccc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CC(C)(C)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CN(C)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CC(C)(OC=O)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CN(C)c1ccc(cc1)-c1ncc2n(CC3CCN(C)CC3)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1F)C#N |(-7.31,-4.79,;-6.54,-3.46,;-7.44,-2.21,;-6.54,-.97,;-5.07,-1.44,;-3.74,-.67,;-2.41,-1.44,;-2.41,-2.98,;-3.74,-3.75,;-5.07,-2.98,;-1.07,-.67,;.26,-1.44,;1.6,-.67,;1.6,.87,;2.74,1.9,;4.07,1.13,;5.16,2.22,;6.65,1.82,;7.74,2.91,;7.34,4.39,;5.85,4.79,;4.76,3.7,;2.11,3.3,;.58,3.14,;.26,1.64,;-1.07,.87,;-2.41,1.64,;-3.74,.87,;-5.07,1.64,;-5.12,3.2,;-3.74,3.95,;-2.41,3.18,;-1.07,3.95,;-6.45,3.97,;-7.79,4.74,)|
CN1CCC(Cn2ccc3c(-c4ccc(cc4F)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CC1 |(8.08,5.14,;7,4.05,;7.39,2.56,;6.31,1.47,;4.82,1.87,;3.73,.78,;2.4,1.55,;1.77,2.96,;.24,2.8,;-.08,1.29,;-1.42,.52,;-2.75,1.29,;-4.08,.52,;-5.42,1.29,;-5.47,2.86,;-4.08,3.6,;-2.75,2.83,;-1.42,3.6,;-6.8,3.63,;-8.13,4.4,;-1.42,-1.02,;-.08,-1.79,;1.25,-1.02,;1.25,.52,;-2.75,-1.79,;-2.75,-3.33,;-4.08,-4.1,;-5.42,-3.33,;-6.88,-3.8,;-7.65,-5.14,;-7.79,-2.56,;-6.88,-1.31,;-5.42,-1.79,;-4.08,-1.02,;4.42,3.36,;5.51,4.45,)|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
Fc1cc(ccc1C#N)-c1cncc2n(CC3CCCNCC3)ccc12
Cc1cc(ccc1-c1c(ncc2n(CC3CCNCC3)ccc12)-c1ccc2n(C)ncc2c1)C#N |(-1.07,3.95,;-2.41,3.18,;-3.74,3.95,;-5.12,3.2,;-5.07,1.64,;-3.74,.87,;-2.41,1.64,;-1.07,.87,;-1.07,-.67,;.26,-1.44,;1.6,-.67,;1.6,.87,;2.74,1.9,;4.07,1.13,;5.16,2.22,;6.65,1.82,;7.74,2.91,;7.34,4.39,;5.85,4.79,;4.76,3.7,;2.11,3.3,;.58,3.14,;.26,1.64,;-2.41,-1.44,;-2.41,-2.98,;-3.74,-3.75,;-5.07,-2.98,;-6.54,-3.46,;-7.31,-4.79,;-7.44,-2.21,;-6.54,-.97,;-5.07,-1.44,;-3.74,-.67,;-6.45,3.97,;-7.79,4.74,)|
CN1CCCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1
CC1CC(Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CC(C)N1
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CC4CCC(C3)N4)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CC3(C)CCNCC3)ccc2c1-c1ccc(cc1)C#N
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1c(ncc2n(CC3CCNCC3)ccc12)-c1ccc2OCOc2c1
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CCC1 |r|
CN1CCN(CC1=O)C(=O)[C@H](CCCNC1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1cccn1 |r|
Fc1ccc(cc1)[C@@H]1CC1NCCC[C@H](NC(=O)c1ccc(cc1)-n1ccnn1)C(=O)N1CC2CCC(C2)C1 |r|
COC1(C)CCN(CC1)C(=O)[C@H](CCCNC1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1CC1NCCC[C@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCC(CC1)n1cccn1 |r|
OC1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-c1ncccn1 |r|
OC1CCN(CC1)C(=O)[C@H](CCCNC1C[C@H]1c1ccc(F)cc1)NC(=O)c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 |r,$;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;S;;;;$|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCC[C@H](NC(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 |r,$;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;S;;;;$|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C1CC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1F)C1CC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1F)C1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)C1CC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)C1CC1 |r|
N[C@@H]1CCCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C1CC1 |r|
N[C@@H]1CCCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)C1CC1 |r|
C[C@@H]1C[C@@H](N)CN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)C1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1c(F)cc(cc1F)C1CC1 |r,wD:1.0,(7.48,-3.75,;5.94,-3.64,;5.08,-4.92,;3.55,-4.81,;2.87,-3.43,;3.73,-2.15,;5.27,-2.26,;3.08,-.76,;3.97,.5,;1.55,-.62,;.54,-1.78,;-.88,-1.18,;-2.2,-1.98,;-3.55,-1.23,;-4.87,-2.02,;-4.84,-3.56,;-6.16,-4.36,;-7.48,-5.15,;-3.49,-4.31,;-3.47,-5.85,;-2.17,-3.52,;-.75,.35,;.75,.7,;-1.91,1.36,;-1.61,2.87,;-.16,3.37,;-2.78,3.88,;-4.23,3.38,;-4.53,1.87,;-3.36,.86,;-3.66,-.65,;-5.39,4.39,;-5.9,5.85,;-6.91,4.69,)|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1Cl)C1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Cl)cc1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Cl)cc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Br)cc1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Br)cc1 |r|
Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1 |r|
CN(C)[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(C)cc1 |r|
Cc1ccccc1-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@H](C1)NC |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C(C)C |r|
CC(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC[C@@H](N)C1 |r|
CC(C)(C)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C(C)(C)C |r|
CC(C)(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(OC(F)(F)F)cc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C(F)(F)F |r|
Cc1ccc(c(F)c1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)C#N |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1)N(C)C |r|
CN(C)CCN(C)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CN(C)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CN(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CCN(CC)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1F)N1CCC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1F)N1CCCC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCC1 |r|
N[C@@H]1CCCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CC[C@@H](F)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CC[C@H](F)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCC(F)(F)C1 |r|
COC1CCN(C1)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCC(C1)OC |r|
CO[C@H]1CCN(C1)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CC[C@@H](C1)OC |r|
CO[C@@H]1CCN(C1)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CC[C@H](C1)OC |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1c(F)cc(cc1F)N1CCCC1 |r,wD:1.0,(7.94,-3.05,;6.4,-3.05,;5.63,-4.38,;4.09,-4.38,;3.32,-3.05,;4.09,-1.72,;5.63,-1.72,;3.32,-.38,;4.09,.95,;1.78,-.38,;.88,-1.63,;-.59,-1.15,;-1.83,-2.06,;-3.24,-1.43,;-4.49,-2.34,;-4.33,-3.87,;-5.57,-4.77,;-6.82,-5.68,;-2.92,-4.49,;-2.76,-6.03,;-1.67,-3.59,;-.59,.39,;.88,.86,;-1.83,1.29,;-1.67,2.83,;-.27,3.45,;-2.92,3.73,;-4.33,3.1,;-4.49,1.57,;-3.24,.67,;-3.4,-.86,;-5.57,4.01,;-5.57,5.55,;-7.04,6.03,;-7.94,4.78,;-7.04,3.53,)|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(cc1F)N1CCCCC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCCC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCCC1 |r|
N[C@@H]1CCCCN(C1)C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCCC1 |r|
Cn1ncc2ccc(cc12)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1nc2cc(ccc2s1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc2CCCc2c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc2CCCc2c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc2OCCOc2c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc2ncccc2c1 |r|
Cn1ccc2cc(cnc12)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCCC(CN)C1
Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC2(CNC2)CC1
Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(=O)N1CCC2(CCNC2)CC1
CC(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CNCC(C2)C1
CC(C)c1ccc(c(F)c1)-n1nc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:33:32:28.29:26,24:26:28.29:31.34.32|
NC1CC2CCC(C1)N2C(=O)c1cc(-c2ccc(C#N)c(F)c2)n(n1)-c1ccc(cc1F)N1CCCC1 |TLB:0:1:4.5:8,THB:9:8:4.5:7.2.1|
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccc(cc2)C2CC2)cc1
CC(C)(C)OC(=O)N(Cc1ccc(\C=C\C(=O)NO)cc1)C1CC1c1ccc(F)cc1
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccc(OCc3ccc(F)cc3)cc2)cc1
ONC(=O)\C=C\c1ccc(cc1)N1CCC(CNC2CC2c2ccccc2)CC1
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccc(cc2)-c2cncnc2)cc1
ONC(=O)c1cnc(nc1)N1CCC(CNC2CC2c2ccc(F)cc2)CC1
ONC(=O)c1cnc(nc1)N1CCC(CC1)NC1CC1c1ccccc1
ONC(=O)c1cnc(nc1)N1CCC(CC1)NC1CC1c1ccc(F)cc1
ONC(=O)c1cnc(nc1)N1CCC(CNC2CC2c2ccc(OCc3ccc(F)cc3)cc2)CC1
ONC(=O)c1cnc(nc1)N1CCC(CC1)NC1CC1c1ccc(OCc2ccc(F)cc2)cc1
ONC(=O)c1cnc(nc1)N1CCC(CC1)NC1CC1c1ccc(cc1)-c1ccc(Cl)cc1
ONC(=O)c1cnc(nc1)N1CCC(CNC2CC2c2ccc(cc2)-c2ccc(Cl)cc2)CC1
ONC(=O)c1cnc(nc1)N1CCC(CNC2CC2c2ccc(cc2)-c2ccc(F)cc2)CC1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CCN(CC1)c1ncc(cn1)C(=O)NO
ONC(=O)c1cnc(nc1)N1CCC(CNC2CC2c2ccc(cc2)-c2cncnc2)CC1
COc1ccc(cc1)C1CC1NCC1CCN(CC1)c1ncc(cn1)C(=O)NO
COc1ccc(cc1)C1CC1NC1CCN(CC1)c1ncc(cn1)C(=O)NO
ONC(=O)c1cnc(nc1)N1CCC(CN[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 |r|
ONC(=O)c1cnc(nc1)N1CCC(CN[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 |r|
ONC(=O)c1ccc(cc1)N1CCC(CNC2CC2c2ccc(F)cc2)CC1
ONC(=O)c1cnc(nc1)N1CCn2cc(CNC3CC3c3ccccc3)nc2C1
COc1ccc(cc1)C1CC1NCc1cn2CCN(Cc2n1)c1ncc(cn1)C(=O)NO
ONC(=O)c1cnc(nc1)N1CCn2cc(CNC3CC3c3ccc(F)cc3)nc2C1
ONC(=O)c1cccc(CNC2CC2c2ccc(Br)cc2)c1
ONC(=O)c1cccc(CNC2CC2c2ccccc2)c1
ONC(=O)c1ccc(CNC2CC2c2ccccc2)cc1
ONC(=O)CCCCCNC1CC1c1ccccc1
ONC(=O)c1ccc(CCCNC2CC2c2ccc(F)cc2)cc1
ONC(=O)CCCCCCNC(=O)c1ccc(CNC2CC2c2ccccc2)cc1
ONC(=O)CCCCCCNC(=O)c1ccc(CNC2CC2c2ccc(F)cc2)cc1
ONC(=O)C1CCC(CC1)NC1CC1c1ccccc1 |(7.44,1.93,;6.1,1.15,;4.77,1.93,;4.77,3.47,;3.44,1.15,;3.44,-.38,;2.1,-1.15,;.77,-.38,;.77,1.15,;2.1,1.93,;-.56,-1.15,;-1.9,-.38,;-2.67,.95,;-3.44,-.38,;-4.77,-1.15,;-6.1,-.38,;-7.44,-1.15,;-7.44,-2.69,;-6.1,-3.47,;-4.77,-2.69,)|
CC(NC1CC1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)NO |r,wU:15.20,wD:12.13,(.1,3.08,;.1,1.54,;-1.23,.77,;-2.56,1.54,;-3.33,2.87,;-4.1,1.54,;-5.44,.77,;-6.77,1.54,;-8.11,.77,;-8.11,-.77,;-6.77,-1.54,;-5.44,-.77,;1.44,.77,;1.44,-.77,;2.77,-1.54,;4.1,-.77,;4.1,.77,;2.77,1.54,;5.44,-1.54,;5.44,-3.08,;6.77,-.77,;8.11,-1.54,)|
Cn1cc(ccc1=O)-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CN2CCC(CNC3CC3c3ccccc3)CC2)cc1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CN2CCC(CNC3CC3c3ccc(cc3)-c3cncnc3)CC2)cc1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cn2)C(=O)NO)CC1
ONC(=O)c1ccc(Cn2cc(CNC3CC3c3ccccc3)cn2)cc1
ONC(=O)c1ccc(Cn2cc(CNC3CC3c3ccccc3)nn2)cc1
ONC(=O)c1ccc(CCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CC2)NC2CC2c2ccccc2)cc1
CN(CC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1)C1CC1c1ccccc1
ONC(=O)c1ccc(CCCN2CC3(CC(C3)NC3CC3c3ccccc3)C2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CC(CNC3CC3c3ccc(F)cc3)C2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3cccc(F)c3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)c(F)c3)CC2)cc1
COc1ccc(cc1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)C(=O)N3CCOCC3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)C(=O)N3CCCCC3)CC2)cc1
CN(C)CCNC(=O)c1ccc(cc1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(Cl)cc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(F)cc3)CC2)cc1
ONC(=O)c1ccc(CCCN2CC(CNC3CC3c3ccc(cc3)-c3ccc(F)cc3)C2)cc1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(cc3)C#N)CC2)cc1
Cn1ccc(cc1=O)-c1ccc(cc1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3cncnc3)CC2)cc1
Cn1cc(cn1)-c1ccc(cc1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
Cn1cc(cn1)-c1ccc(cc1)C1CC1NCC1CN(CCCc2ccc(cc2)C(=O)NO)C1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CN(CCCc2ccc(cc2)C(=O)NO)C1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CN(CCCc2cccc(c2)C(=O)NO)C1
ONC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(nc3)C(F)(F)F)CC2)cc1
CC(C)n1cc(cn1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
COc1ccc(cc1)C1CC1NCc1cn2CCN(CCCc3ccc(cc3)C(=O)NO)Cc2n1
ONC(=O)c1ccc(CCCN2CCn3cc(CNC4CC4c4ccc(F)cc4)nc3C2)cc1
ONC(=O)c1ccc(CCCn2cnc(CNC3CC3c3ccc(F)c(F)c3)c2)cc1
ONC(=O)c1ccc(CCCn2cncc2CNC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(CCCn2cnc(CNC3CC3c3ccccc3)c2)cc1
ONC(=O)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)cn2)cc1
ONC(=O)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)nn2)cc1
ONC(=O)c1ccc(CCCN2CCc3cc(CNC4CC4c4ccc(F)cc4)ccc3C2)cc1
ONC(=O)c1ccc(CN2CCc3ccc(CNC4CC4c4ccc(F)cc4)cc3C2)cc1
ONC(=O)c1ccc(CN2CCn3cc(CNC4CC4c4ccc(F)cc4)nc3C2)cc1
CN1C(=O)C(C)(C)c2cc(ccc12)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CCC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(CCC(=O)N2CCC(CC2)NC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(CC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(CC(=O)N2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(CC(=O)N2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CNC2CC2c2ccccc2)CC1
ONC(=O)c1ccc(CS(=O)(=O)NCCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(cc1)S(=O)(=O)NCCN1CCC(CNC2CC2c2ccc(F)cc2)CC1
ONC(=O)c1ccc(cc1)C(=O)NCCN1CCC(CNC2CC2c2ccccc2)CC1
ONC(=O)c1ccc(cc1)C(=O)NCCN1CCC(CNC2CC2c2ccc(F)c(F)c2)CC1
ONC(=O)c1ccc(CN2CCN(CC2)C(=O)CNC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(CCC(=O)N2CCN(CC2)C(=O)CNC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(CCCC2CCN(CC2)C(=O)CNC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(OCCNC2CC2c2ccccc2)cc1
ONC(=O)c1ccc(OCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)nc1
ONC(=O)c1ccc(OCCN2CCC(CNC3CC3c3ccccc3)CC2)nc1
ONC(=O)c1ccc(OCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(F)cc3)CC2)nc1
ONC(=O)c1ccc(OCCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(OCCCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(OCCCNC2CC2c2ccccc2)cc1
ONC(=O)c1cnc(NCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)nc1
ONC(=O)c1cc2CN(CCc2s1)C(=O)CNC1CC1c1ccc(F)cc1
ONC(=O)c1cc2CN(CCc2s1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)cc1 |r|
ONC(=O)c1cc2CN(CCc2s1)C(=O)CN[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
ONC(=O)c1ccc2CCN(Cc2c1)C(=O)CNC1CC1c1ccc(F)cc1
ONC(=O)c1ccc2CCN(Cc2c1)C(=O)CN[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
ONC(=O)c1ccc2CCN(Cc2c1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)cc1 |r|
ONC(=O)c1cc2CN(CCc2s1)C(=O)CCCNC1CC1c1ccc(F)cc1
ONC(=O)c1cc2CN(CCc2s1)C(=O)CCCN1CCC(CNC2CC2c2ccc(F)cc2)CC1
ONC(=O)c1ccc2CCN(Cc2c1)C(=O)CCCNC1CC1c1ccc(F)cc1
ONC(=O)c1ccc2CN(Cc2c1)C(=O)CCCNC1CC1c1ccc(F)cc1
ONC(=O)c1ccc2CN(Cc2c1)C(=O)CCCN1CCC(CNC2CC2c2ccccc2)CC1
ONC(=O)c1c[nH]c(CCCN2CCC(CNC3CC3c3ccccc3)CC2)n1
ONC(=O)c1csc(CCCN2CCC(CNC3CC3c3ccc(cc3)-c3ccc(F)cc3)CC2)n1
ONC(=O)c1cnc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)s1
ONC(=O)c1csc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)n1
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 |r|
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CN[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 |r|
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(=O)NO
ONC(=O)c1ccc(\C=C\C(=O)N2CCC(CNC3CC3c3ccc(cc3)-c3cncnc3)CC2)cc1
ONC(=O)c1ccc(\C=C\C(=O)N2CC(CNC3CC3c3ccc(F)cc3)C2)cc1
Cn1cc(cn1)-c1ccc(cc1)C1CC1NCC1CN(C1)C(=O)\C=C\c1ccc(cc1)C(=O)NO
CC(C)(C)OC(=O)N(Cc1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C1CC1c1ccc(F)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
COc1ccc(cc1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)Nc2ccccc2N)CC1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)c(F)c3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(cc3)C(=O)N3CCCCC3)CC2)cc1
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CCCN2CC(CN(C3CC3c3ccc(F)cc3)C(=O)C(F)(F)F)C2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CC3(CC(C3)NC3CC3c3ccccc3)C2)cc1
CC(C)n1cc(cn1)C1CC1NCC1CCN(CCCc2ccc(cc2)C(=O)Nc2ccccc2N)CC1
Nc1ccc(F)cc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCC(=O)N2CCC(CC2)NC2CC2c2ccccc2)cc1
Nc1ccccc1NC(=O)c1ccc(CCC(=O)N2CCC(CNC3CC3c3ccccc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCn2cnc(CNC3CC3c3ccc(F)c(F)c3)c2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCn2cnc(CNC3CC3c3ccccc3)c2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)nn2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCn2cc(CNC3CC3c3ccccc3)cn2)cc1
Nc1ccccc1NC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
Cn1cc(ccc1=O)-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2N)CC1
Cn1cc(cn1)-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2N)CC1
Cc1noc(C)c1-c1ccc(cc1)C1CC1NCC1CCN(Cc2ccc(cc2)C(=O)Nc2ccccc2N)CC1
Nc1ccccc1NC(=O)c1ccc(CN2CCC(CNC3CC3c3ccc(cc3)-c3cncnc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CNC3CC3c3ccccc3)cn2)cc1
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CNC3CC3c3ccccc3)nn2)cc1
Nc1ccccc1NC(=O)c1ccc(CC(=O)N2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(OCCNC2CC2c2ccc(F)cc2)cc1
Nc1ccccc1NC(=O)c1ccc(OCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)nc1
Nc1ccccc1NC(=O)c1cnc(NCCN2CCC(CNC3CC3c3ccc(F)cc3)CC2)nc1
Nc1ccccc1NC(=O)c1cc2CN(CCc2s1)C(=O)CNC1CC1c1ccc(F)cc1
Nc1ccccc1NC(=O)c1ccc2CCN(Cc2c1)C(=O)CNC1CC1c1ccc(F)cc1
Nc1ccccc1NC(=O)c1coc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)n1
Nc1ccccc1NC(=O)c1ccc(CNC(=O)CNC2CC2c2ccc(F)cc2)cc1
Nc1ccccc1NC(=O)c1ccc(\C=C\C(=O)N2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(\C=C\C(=O)N2CC(CNC3CC3c3ccc(F)cc3)C2)cc1
Nc1ccccc1NC(=O)c1ccc(CNC(=O)N2CCC(CNC3CC3c3ccc(F)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CNC2CC2c2ccccc2)CC1
COc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)n2ccnc12)-c1ccc(cc1)C#N |r|
N#CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CC(C)(C)n1nnc(n1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
NCC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CN(C)CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CCNCC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CCN(CC)CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
N#CC1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
NCC1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
Fc1ccccc1CNCC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
C(NCC1(CN[C@H]2CC2c2ccccc2)CC1)c1ccc[nH]1 |r|
C(NCC1(CN[C@H]2CC2c2ccccc2)CC1)c1cnc[nH]1 |r|
C(NCC1(CN[C@H]2CC2c2ccccc2)CC1)C1CCNC1 |r|
CCn1ncnc1CNCC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
FC(F)(F)c1ccc(CNCC2(CN[C@H]3CC3c3ccccc3)CC2)cn1 |r|
C(NCC1(CN[C@H]2CC2c2ccccc2)CC1)c1nccs1 |r|
C(NCC1(CN[C@H]2CC2c2ccccc2)CC1)c1cnc2CCCn12 |r|
Clc1ccc2nc(oc2c1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Clc1ccc2oc(nc2c1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
N#Cc1ccc(CNC2(CN[C@H]3CC3c3ccccc3)CCC2)cc1 |r|
Fc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
N#Cc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Clc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
FC(F)(F)c1ccc(cn1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Clc1ccc(cc1)-c1noc(n1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Clc1ccc(cc1)-c1nnc(o1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc2ccccc12 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc2ccccc12 |r|
N#Cc1ccc(cc1)-c1cc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1nc2ccccc2o1 |r|
OC(=O)c1ccc(NCC2(CN[C@H]3CC3c3ccccc3)CCC2)nc1 |r|
FC1CC(CN[C@H]2CC2c2ccccc2)(C1)c1cccnc1 |r,wD:6.5,(2.77,-3.4,;2.77,-1.86,;1.68,-.77,;2.77,.32,;1.44,1.09,;.1,.32,;-1.23,1.09,;-2,2.42,;-2.77,1.09,;-4.1,.32,;-5.44,1.09,;-6.77,.32,;-6.77,-1.22,;-5.44,-1.99,;-4.1,-1.22,;3.86,-.77,;4.1,1.09,;4.1,2.63,;5.44,3.4,;6.77,2.63,;6.77,1.09,;5.44,.32,)|
OC1CC(CN[C@H]2CC2c2ccccc2)(C1)c1cccnc1 |r,wD:6.5,(2.77,-3.4,;2.77,-1.86,;1.68,-.77,;2.77,.32,;1.44,1.09,;.1,.32,;-1.23,1.09,;-2,2.42,;-2.77,1.09,;-4.1,.32,;-5.44,1.09,;-6.77,.32,;-6.77,-1.22,;-5.44,-1.99,;-4.1,-1.22,;3.86,-.77,;4.1,1.09,;4.1,2.63,;5.44,3.4,;6.77,2.63,;6.77,1.09,;5.44,.32,)|
CC(C)Oc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
FC(F)(F)Oc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
FC(F)Oc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
COc1ccccc1-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
N#Cc1ccccc1-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
N#Cc1cccc(c1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
FC1(F)Oc2ccc(cc2O1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
COc1ccc2nc(sc2c1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
NC(=O)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
O=C(NC1(CN[C@H]2CC2c2ccccc2)CCC1)c1ccc(cc1)C#N |r|
CC1CCN(CC2(CN[C@H]3CC3c3ccccc3)CC2)C1 |r|
OC(=O)c1ccc2CN(CC3(CN[C@H]4CC4c4ccccc4)CC3)Cc2c1 |r|
N#Cc1ccc2CN(CC3(CN[C@H]4CC4c4ccccc4)CC3)Cc2c1 |r|
OC(=O)c1ccc(cn1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)c1ccc(cc1)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)c1ccc(cn1)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CC(=O)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CS(=O)(=O)n1cc2CN(CC3(CN[C@H]4CC4c4ccccc4)CC3)Cc2n1 |r|
OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CN(C)[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r,wU:3.2,wD:17.18,6.9,(10.14,.8,;9.05,-.29,;9.45,-1.78,;7.57,.11,;6.48,-.98,;4.99,-.58,;4.59,.9,;5.68,1.99,;7.17,1.59,;3.1,1.3,;2.2,.06,;.73,.53,;.73,2.07,;2.2,2.55,;-.6,-.24,;-1.93,.53,;-3.27,-.24,;-4.6,.53,;-5.37,1.87,;-6.14,.53,;-7.47,-.24,;-8.81,.53,;-10.14,-.24,;-10.14,-1.78,;-8.81,-2.55,;-7.47,-1.78,;-1.37,-1.57,;.17,-1.57,)|
Cn1cc2CN(CC3(CN[C@H]4CC4c4ccccc4)CC3)Cc2n1 |r|
Cn1ncc2CN(CC3(CN[C@H]4CC4c4ccccc4)CC3)Cc12 |r|
OC(=O)[C@H](Cc1ccccc1)NCC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
CN(C)[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:17.18,3.2,wD:19.22,6.9,(10.17,1.73,;9.27,.49,;9.89,-.92,;7.74,.65,;6.83,-.6,;5.3,-.44,;4.67,.97,;5.58,2.22,;7.11,2.06,;3.14,1.13,;2.11,-.01,;.7,.61,;.86,2.15,;2.37,2.47,;-.63,-.16,;-1.96,.61,;-3.3,-.16,;-4.63,.61,;-5.4,1.95,;-6.17,.61,;-7.5,-.16,;-8.84,.61,;-10.17,-.16,;-10.17,-1.7,;-8.84,-2.47,;-7.5,-1.7,;-1.4,-1.49,;.14,-1.49,)|
CN(C)[C@H]1CC[C@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:17.18,wD:19.22,6.9,3.2,(10.17,1.73,;9.27,.49,;9.89,-.92,;7.74,.65,;7.11,2.06,;5.58,2.22,;4.67,.97,;5.3,-.44,;6.83,-.6,;3.14,1.13,;2.11,-.01,;.7,.61,;.86,2.15,;2.37,2.47,;-.63,-.16,;-1.96,.61,;-3.3,-.16,;-4.63,.61,;-5.4,1.95,;-6.17,.61,;-7.5,-.16,;-8.84,.61,;-10.17,-.16,;-10.17,-1.7,;-8.84,-2.47,;-7.5,-1.7,;-1.4,-1.49,;.14,-1.49,)|
O=C(N[C@H]1CC[C@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1)C1CC1 |r,wU:17.18,wD:19.22,6.9,3.2,(8.38,2.77,;8.78,1.28,;7.69,.19,;6.16,.35,;5.53,1.76,;4,1.92,;3.09,.67,;3.72,-.74,;5.25,-.9,;1.56,.83,;.53,-.31,;-.88,.31,;-.71,1.85,;.79,2.17,;-2.21,-.46,;-3.54,.31,;-4.88,-.46,;-6.21,.31,;-6.98,1.65,;-7.75,.31,;-9.08,-.46,;-10.42,.31,;-11.75,-.46,;-11.75,-2,;-10.42,-2.77,;-9.08,-2,;-2.98,-1.79,;-1.44,-1.79,;10.26,.88,;11.35,-.21,;11.75,1.28,)|
NCC1(CN[C@H]2CC2c2ccccc2)CCCCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCCC1)c1ccccc1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1ccccc1 |r|
Clc1ccc(cc1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc(n1)-c1ccccn1 |r|
FC(F)(F)c1ccnc(c1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc(n1)-c1ccc2scnc2c1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc(n1)-c1cncnc1 |r|
COc1ccc(cn1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc(n1)-c1cccnc1 |r|
FC(F)(F)c1cc(ccn1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
FC(F)(F)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
O=COc1ccccc1-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
OC(=O)c1cccc(c1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1noc(n1)-c1ccc(cc1)-n1cnnc1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CCC1)c1cc(on1)[C@H]1CCCNC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc(n1)[C@@H]1CCCNC1 |r|
N[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r,wU:1.0,wD:15.16,4.7,(9.72,.49,;8.19,.65,;7.28,-.6,;5.75,-.44,;5.12,.97,;6.03,2.22,;7.56,2.06,;3.59,1.13,;2.56,-.01,;1.16,.61,;1.32,2.15,;2.82,2.47,;-.18,-.16,;-1.51,.61,;-2.84,-.16,;-4.18,.61,;-4.95,1.95,;-5.72,.61,;-7.05,-.16,;-8.39,.61,;-9.72,-.16,;-9.72,-1.7,;-8.39,-2.47,;-7.05,-1.7,;-.95,-1.49,;.59,-1.49,)|
N[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,1.0,wD:17.20,4.7,(9.72,.49,;8.19,.65,;7.28,-.6,;5.75,-.44,;5.12,.97,;6.03,2.22,;7.56,2.06,;3.59,1.13,;2.56,-.01,;1.16,.61,;1.32,2.15,;2.82,2.47,;-.18,-.16,;-1.51,.61,;-2.84,-.16,;-4.18,.61,;-4.95,1.95,;-5.72,.61,;-7.05,-.16,;-8.39,.61,;-9.72,-.16,;-9.72,-1.7,;-8.39,-2.47,;-7.05,-1.7,;-.95,-1.49,;.59,-1.49,)|
N[C@H]1CC[C@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,wD:17.20,4.7,1.0,(9.72,.49,;8.19,.65,;7.56,2.06,;6.03,2.22,;5.12,.97,;5.75,-.44,;7.28,-.6,;3.59,1.13,;2.56,-.01,;1.16,.61,;1.32,2.15,;2.82,2.47,;-.18,-.16,;-1.51,.61,;-2.84,-.16,;-4.18,.61,;-4.95,1.95,;-5.72,.61,;-7.05,-.16,;-8.39,.61,;-9.72,-.16,;-9.72,-1.7,;-8.39,-2.47,;-7.05,-1.7,;-.95,-1.49,;.59,-1.49,)|
N[C@H]1C[C@@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:13.14,3.5,wD:15.18,1.0,(9.27,.58,;7.74,.74,;6.77,1.94,;5.57,.97,;6.54,-.23,;4.04,1.13,;3.01,-.01,;1.6,.61,;1.77,2.15,;3.27,2.47,;.27,-.16,;-1.06,.61,;-2.4,-.16,;-3.73,.61,;-4.5,1.95,;-5.27,.61,;-6.6,-.16,;-7.94,.61,;-9.27,-.16,;-9.27,-1.7,;-7.94,-2.47,;-6.6,-1.7,;-.5,-1.49,;1.04,-1.49,)|
N[C@H]1CC[C@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
N[C@H]1CCC[C@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
OC(=O)[C@H]1C[C@@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,5.7,wD:17.20,3.2,(9.44,2.81,;8.82,4.21,;9.72,5.46,;7.29,4.37,;6.32,5.57,;5.12,4.6,;6.09,3.4,;3.59,4.76,;2.56,3.62,;1.15,4.24,;1.31,5.78,;2.82,6.1,;-.18,3.47,;-1.52,4.24,;-2.85,3.47,;-4.18,4.24,;-4.95,5.58,;-5.72,4.24,;-7.06,3.47,;-8.39,4.24,;-9.72,3.47,;-9.72,1.93,;-8.39,1.16,;-7.06,1.93,;-.95,2.14,;.59,2.14,)|
OC(=O)[C@H]1C[C@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,wD:17.20,5.7,3.2,(9.44,2.81,;8.82,4.21,;9.72,5.46,;7.29,4.37,;6.32,5.57,;5.12,4.6,;6.09,3.4,;3.59,4.76,;2.56,3.62,;1.15,4.24,;1.31,5.78,;2.82,6.1,;-.18,3.47,;-1.52,4.24,;-2.85,3.47,;-4.18,4.24,;-4.95,5.58,;-5.72,4.24,;-7.06,3.47,;-8.39,4.24,;-9.72,3.47,;-9.72,1.93,;-8.39,1.16,;-7.06,1.93,;-.95,2.14,;.59,2.14,)|
NC1CC2(C1)CC(C2)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
N[C@@H](Cc1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1)C(O)=O |r|
N[C@@H](CCc1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1)C(O)=O |r|
CC(C)[C@H](N)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
NC12CCC(CC1)(CC2)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CC1)c1noc(n1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CC1)c1noc(n1)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CC1)c1noc(n1)C1CCC2(CNC2)CC1 |r|
NC1CCN(CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
NC1CCN(CC1)C(=O)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc(n1)C1CCc2nc[nH]c2C1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc(n1)-c1cn2CCCCc2n1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc(CC2CCNCC2)n1 |r|
OC(=O)c1ccc(CN2CCC(Cc3nc(no3)C3(CN[C@H]4CC4c4ccccc4)CC3)CC2)cc1 |r|
COC(=O)c1ccc(CN2CCC(CC2)c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CC2)cc1 |r|
OC(=O)[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:17.18,6.9,wD:19.22,3.2,(9.51,-2.2,;9.11,-.71,;10.2,.38,;7.62,-.31,;7.23,1.18,;5.74,1.58,;4.65,.49,;5.05,-1,;6.54,-1.4,;3.16,.89,;1.97,-.08,;.67,.76,;1.07,2.24,;2.61,2.32,;-.66,-.01,;-1.99,.76,;-3.33,-.01,;-4.66,.76,;-5.43,2.09,;-6.2,.76,;-7.53,-.01,;-8.87,.76,;-10.2,-.01,;-10.2,-1.55,;-8.87,-2.32,;-7.53,-1.55,;-1.43,-1.35,;.11,-1.35,)|
OC(=O)c1ccc(CN2CCC(CC2)c2nc(no2)C2(CN[C@@H]3CC3c3ccccc3)CC2)cc1 |r|
OC(=O)c1ccc(CN2CCC(CC2)c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CC2)cc1 |r|
COC(=O)[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:18.19,7.10,wD:20.23,4.3,(10.78,-1.13,;9.25,-.93,;8.66,.49,;9.58,1.72,;7.13,.65,;6.5,2.06,;4.97,2.22,;4.06,.97,;4.69,-.44,;6.22,-.6,;2.53,1.13,;1.5,-.01,;.09,.61,;.26,2.15,;1.76,2.47,;-1.24,-.16,;-2.57,.61,;-3.91,-.16,;-5.24,.61,;-6.01,1.95,;-6.78,.61,;-8.11,-.16,;-9.45,.61,;-10.78,-.16,;-10.78,-1.7,;-9.45,-2.47,;-8.11,-1.7,;-2.01,-1.49,;-.47,-1.49,)|
COC(=O)[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@H]2C[C@@H]2c2ccccc2)CC1 |r,wU:20.23,7.10,wD:18.19,4.3,(10.83,-1.14,;9.2,-.93,;8.61,.49,;9.53,1.72,;7.08,.65,;6.45,2.06,;4.92,2.22,;4.01,.97,;4.64,-.44,;6.17,-.6,;2.48,1.13,;1.45,-.01,;.04,.61,;.2,2.15,;1.71,2.47,;-1.29,-.16,;-2.62,.61,;-3.96,-.16,;-5.29,.61,;-6.06,1.95,;-6.83,.61,;-8.17,-.16,;-9.5,.61,;-10.83,-.16,;-10.83,-1.7,;-9.5,-2.47,;-8.17,-1.7,;-2.06,-1.49,;-.52,-1.49,)|
OC(=O)C1CC2(C1)CC(C2)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r,wD:18.20,(10.53,-1.05,;9.9,.35,;10.81,1.6,;8.37,.52,;7.17,-.45,;6.2,.74,;7.4,1.71,;5.01,-.23,;4.04,.97,;5.23,1.94,;2.51,1.13,;1.48,-.01,;.07,.61,;.23,2.15,;1.74,2.47,;-1.26,-.16,;-2.6,.61,;-3.93,-.16,;-5.27,.61,;-6.04,1.95,;-6.81,.61,;-8.14,-.16,;-9.47,.61,;-10.81,-.16,;-10.81,-1.7,;-9.47,-2.47,;-8.14,-1.7,;-2.03,-1.49,;-.49,-1.49,)|
OC(=O)[C@H]1CC[C@H](C1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)[C@H]1CC[C@H](CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r,wD:17.18,6.9,3.2,(9.89,-.92,;9.27,.49,;10.17,1.73,;7.74,.65,;7.11,2.06,;5.58,2.22,;4.67,.97,;5.3,-.44,;6.83,-.6,;3.14,1.13,;2.11,-.01,;.7,.61,;.86,2.15,;2.37,2.47,;-.63,-.16,;-1.96,.61,;-3.3,-.16,;-4.63,.61,;-5.4,1.95,;-6.17,.61,;-7.51,-.16,;-8.84,.61,;-10.17,-.16,;-10.17,-1.7,;-8.84,-2.47,;-7.51,-1.7,;-1.4,-1.49,;.14,-1.49,)|
OC(=O)C12CCC(CC1)(CC2)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)[C@@H]1CC[C@@H](C1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
NC(=O)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
CN(C)C(=O)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
O=C(NC1CC1)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Fc1ccccc1-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
Cc1oc(nc1C(O)=O)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
Fc1ccc(-c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CCC2)c(F)c1 |r|
OC(=O)c1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
Fc1cc(cc(c1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1)C#N |r|
Fc1cc(F)c(-c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CCC2)c(F)c1 |r|
N#Cc1ccc(cc1)-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
Fc1cc(ccc1-c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CCC1)C#N |r|
Cc1sc(nc1C(O)=O)C1(CN[C@H]2CC2c2ccccc2)CCC1 |r|
NC1CCC(CC1)NCC1(CN[C@H]2CC2c2ccccc2)CC1 |r,wD:12.12,(8.77,2.69,;7.44,1.93,;7.44,.38,;6.1,-.38,;4.77,.38,;4.77,1.93,;6.1,2.69,;3.44,-.38,;2.1,.38,;.77,-.38,;-.56,.38,;-1.9,-.38,;-3.23,.38,;-4,1.72,;-4.77,.38,;-6.1,-.38,;-7.44,.38,;-8.77,-.38,;-8.77,-1.93,;-7.44,-2.69,;-6.1,-1.93,;,-1.72,;1.54,-1.72,)|
C(N[C@@H]1CC1c1ccccc1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
NC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)c1ccc(CNC2(CN[C@H]3CC3c3ccccc3)CC2)cc1 |r|
CC1(C)CCN(CC2(CN[C@H]3CC3c3ccccc3)CC2)C1 |r|
OC(=O)c1ccc(CN2CC(C2)c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CC2)cc1 |r|
OC(=O)c1ccc(CN2CCC3(CC(C3)c3nc(no3)C3(CN[C@H]4CC4c4ccccc4)CC3)CC2)cc1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CN2CC3CNCC3C2)CC1 |r|
O=C(C1CC1)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
N[C@H]1CC[C@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CCC1 |r,wU:15.16,wD:17.20,4.7,1.0,(9.63,-.46,;8.14,-.06,;7.75,1.42,;6.26,1.82,;5.17,.73,;5.57,-.75,;7.06,-1.15,;3.68,1.13,;2.65,-.01,;1.24,.61,;1.41,2.15,;2.91,2.47,;-.09,-.16,;-1.42,.61,;-2.76,-.16,;-4.09,.61,;-4.86,1.95,;-5.63,.61,;-6.96,-.16,;-8.3,.61,;-9.63,-.16,;-9.63,-1.7,;-8.3,-2.47,;-6.96,-1.7,;-1.18,-1.24,;-.09,-2.33,;1,-1.24,)|
OC(=O)[C@@H]1CCCN1CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CN2CCC2)CC1 |r|
C[C@H]1CCCN1CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
C[C@@H]1CCCN1CC1(CN[C@H]2CC2c2ccccc2)CC1 |r|
N[C@@H]1CCC[C@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
OC(=O)c1ccc(CN2CCC(C2)c2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CC2)cc1 |r|
C[C@H]1CN(CC2(CN[C@H]3CC3c3ccccc3)CC2)C[C@@H](C)N1 |r|
C[C@H]1CN(CC2(CN[C@H]3CC3c3ccccc3)CC2)C[C@@H](C)O1 |r|
CN1CCC(CC1=O)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
C(N[C@H]1CC1c1ccccc1)C1(CC1)c1noc(n1)C1CC2(C1)CCNCC2 |r|
N[C@@H]1CCC[C@@H](C1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
C[C@@H]1CN(CC2(CN[C@H]3CC3c3ccccc3)CC2)[C@@H](C)CN1C |r|
N[C@H]1CC[C@H](Cc2nc(no2)C2(CN[C@H]3CC3c3ccccc3)CC2)CC1 |r,wU:4.4,wD:14.14,1.0,(9.58,3.78,;8.49,2.69,;7,3.09,;5.91,2,;6.31,.51,;5.22,-.58,;3.73,-.18,;2.7,-1.32,;1.3,-.7,;1.46,.83,;2.96,1.15,;-.04,-1.47,;-1.37,-.7,;-2.7,-1.47,;-4.04,-.7,;-4.81,.64,;-5.58,-.7,;-6.91,-1.47,;-8.24,-.7,;-9.58,-1.47,;-9.58,-3.01,;-8.24,-3.78,;-6.91,-3.01,;-.81,-2.8,;.73,-2.8,;7.8,.11,;8.89,1.2,)|
FC(F)(F)C(=O)N1CCC(CC1)c1nc(no1)C1(CN[C@H]2CC2c2ccccc2)CC1 |r|
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
OC(=O)[C@@H]1CCN1CC1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CN2CCCNCC2)CC1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CC1)c1noc(n1)C1CCNCC1 |r|
CN[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:16.17,2.1,wD:18.21,5.8,(9.83,-1.95,;9.43,-.46,;7.94,-.06,;6.86,-1.15,;5.37,-.75,;4.97,.73,;6.06,1.82,;7.55,1.42,;3.48,1.13,;2.45,-.01,;1.04,.61,;1.21,2.15,;2.71,2.47,;-.29,-.16,;-1.62,.61,;-2.96,-.16,;-4.29,.61,;-5.06,1.95,;-5.83,.61,;-7.16,-.16,;-8.5,.61,;-9.83,-.16,;-9.83,-1.7,;-8.5,-2.47,;-7.16,-1.7,;-1.06,-1.49,;.48,-1.49,)|
N[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CCC1 |r,wU:15.16,1.0,wD:17.20,4.7,(9.63,-.46,;8.14,-.06,;7.06,-1.15,;5.57,-.75,;5.17,.73,;6.26,1.82,;7.75,1.42,;3.68,1.13,;2.65,-.01,;1.24,.61,;1.41,2.15,;2.91,2.47,;-.09,-.16,;-1.42,.61,;-2.76,-.16,;-4.09,.61,;-4.86,1.95,;-5.63,.61,;-6.96,-.16,;-8.3,.61,;-9.63,-.16,;-9.63,-1.7,;-8.3,-2.47,;-6.96,-1.7,;-1.18,-1.24,;-.09,-2.33,;1,-1.24,)|
OC(=O)C1(CN2CCC(CC2)c2nc(no2)C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)CCC1 |r|
NC[C@H]1CC[C@@H](CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:16.17,5.8,wD:18.21,2.1,(10.18,.63,;9.09,-.46,;7.6,-.06,;7.2,1.42,;5.71,1.82,;4.62,.73,;5.02,-.75,;6.51,-1.15,;3.14,1.13,;2.11,-.01,;.7,.61,;.86,2.15,;2.37,2.47,;-.63,-.16,;-1.97,.61,;-3.3,-.16,;-4.64,.61,;-5.41,1.95,;-6.18,.61,;-7.51,-.16,;-8.84,.61,;-10.18,-.16,;-10.18,-1.7,;-8.84,-2.47,;-7.51,-1.7,;-1.4,-1.49,;.14,-1.49,)|
N[C@H]1CC[C@H](Cc2nc(no2)C2(CN[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 |r,wU:14.14,1.0,wD:16.18,4.4,(9.58,3.78,;8.49,2.69,;8.89,1.2,;7.8,.11,;6.31,.51,;5.22,-.58,;3.73,-.18,;2.7,-1.32,;1.3,-.7,;1.46,.83,;2.96,1.15,;-.04,-1.47,;-1.37,-.7,;-2.7,-1.47,;-4.04,-.7,;-4.81,.64,;-5.58,-.7,;-6.91,-1.47,;-8.24,-.7,;-9.58,-1.47,;-9.58,-3.01,;-8.24,-3.78,;-6.91,-3.01,;-.81,-2.8,;.73,-2.8,;5.91,2,;7,3.09,)|
N[C@H]1CC[C@@H](CC1)c1cc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,1.0,wD:17.20,4.7,(9.63,-.46,;8.14,-.06,;7.06,-1.15,;5.57,-.75,;5.17,.73,;6.26,1.82,;7.75,1.42,;3.68,1.13,;2.65,-.01,;1.24,.61,;1.41,2.15,;2.91,2.47,;-.09,-.16,;-1.42,.61,;-2.76,-.16,;-4.09,.61,;-4.86,1.95,;-5.63,.61,;-6.96,-.16,;-8.3,.61,;-9.63,-.16,;-9.63,-1.7,;-8.3,-2.47,;-6.96,-1.7,;-.86,-1.49,;.68,-1.49,)|
N[C@H]1CC[C@@H](CC1)c1noc(n1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,1.0,wD:17.20,4.7,(9.63,-.46,;8.14,-.06,;7.06,-1.15,;5.57,-.75,;5.17,.73,;6.26,1.82,;7.75,1.42,;3.68,1.13,;2.91,2.47,;1.41,2.15,;1.24,.61,;2.65,-.01,;-.09,-.16,;-1.42,.61,;-2.76,-.16,;-4.09,.61,;-4.86,1.95,;-5.63,.61,;-6.96,-.16,;-8.3,.61,;-9.63,-.16,;-9.63,-1.7,;-8.3,-2.47,;-6.96,-1.7,;-.86,-1.49,;.68,-1.49,)|
N[C@H]1CC[C@@H](CC1)c1nnc(o1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:15.16,1.0,wD:17.20,4.7,(9.63,-.46,;8.14,-.06,;7.06,-1.15,;5.57,-.75,;5.17,.73,;6.26,1.82,;7.75,1.42,;3.68,1.13,;2.91,2.47,;1.41,2.15,;1.24,.61,;2.65,-.01,;-.09,-.16,;-1.42,.61,;-2.76,-.16,;-4.09,.61,;-4.86,1.95,;-5.63,.61,;-6.96,-.16,;-8.3,.61,;-9.63,-.16,;-9.63,-1.7,;-8.3,-2.47,;-6.96,-1.7,;-.86,-1.49,;.68,-1.49,)|
NC1CCC(CC1(F)F)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
CC1(N)CCC(CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r,wU:16.17,wD:18.21,(9.55,.71,;8.22,-.06,;9.31,-1.15,;7.13,-1.15,;5.64,-.75,;5.25,.73,;6.33,1.82,;7.82,1.42,;3.76,1.13,;2.73,-.01,;1.32,.61,;1.48,2.15,;2.99,2.47,;-.01,-.16,;-1.35,.61,;-2.68,-.16,;-4.01,.61,;-4.78,1.95,;-5.55,.61,;-6.89,-.16,;-8.22,.61,;-9.55,-.16,;-9.55,-1.7,;-8.22,-2.47,;-6.89,-1.7,;-.78,-1.49,;.76,-1.49,)|
C(N[C@@H]1C[C@H]1c1ccccc1)C1(CC1)c1noc(n1)N1CCNCC1 |r|
CN1CCN(CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
OC(=O)C1CCN(CC1)c1nc(no1)C1(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
Cc1ccc(cc1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1C2CCC1CC(N)C2 |TLB:21:23:25.26:29.31.28|
Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1(N)CCC2 |THB:26:28:34.35.36:30.31|
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc(CC3(O)CC3)cc2F)c(c1)-c1ccc(cc1)C#N
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(cc1)C#N)C(=O)N1CC[C@H](N)C1
Cn1cc2cc(ccc2n1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
N[C@H]1CCN(C1)C(=O)c1ccc(-c2ccc3COCc3c2)c(c1)-c1ccc(C#N)c(F)c1
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](N)C2 |THB:26:28:31.30:33.35|
COCCc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CC[C@H]1CC(N)C2 |THB:26:28:30.31:33.34.36|
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccccc1-c1cc(F)c(C#N)c(c1)C(=O)N1CC[C@H](N)C1
CC(C)(O)CCn1ncc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |TLB:31:33:35.36:39.41.38|
CCC(O)(CC)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
CN(C)C(=O)Cc1ccc(c(F)c1)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |THB:28:30:33.32:35.37|
NC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:9:8:4.5:1.2.7|
Cc1ccc(cc1)-c1ccc(CN2CC[C@H](N)C2)cc1-c1ccc(cc1)C#N
Cc1ccc(c(F)c1)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:12:13:16.15:18.20|
Cc1ccc(c(F)c1)-c1ccc(CN2CC[C@](C)(N)C2)cc1-c1ccc(C#N)c(F)c1
CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:20:21:24.23:26.28|
N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:8:7:5.4:1.2|
CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:19:20:23.22:25.27|
CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:22:23:26.25:28.30|
CC(C)(O)Cn1ccc2cc(c(F)cc12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:19:20:23.22:25.27|
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:16:17:20.19:22.24|
CC(C)(O)Cc1ccc(c(F)c1)-c1ccc(CN2CC[C@H](N)C2)cc1-c1ccc(C#N)c(F)c1
CC(N1[C@@H]2CC[C@H]1[C@@H](N)C2)c1ccc(-c2ccc(C)cc2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:1:2:5.4:7.9|
CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:22:23:26.25:28.30|
CC(C)(O)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:20:21:24.23:26.28|
CCC(O)(CC)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:22:23:26.25:28.30|
COc1ccc(cc1F)-c1nn(cc1-c1ccc(C#N)c(F)c1)C1CCNCC1
COc1ccc(cc1F)-c1nn(cc1-c1ccc(C#N)c(F)c1)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-c1cn(CC(=O)N2CCC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1cn(CC2CCNC2)nc1-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1cn(CC(=O)N2CCC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
Cn1nnc2cc(ccc12)-c1cn(CC(=O)N2CCC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1cn(CC(=O)N2CCC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1ncc2cc(ccc12)-c1cn(CC(=O)N2CCC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1cn(CC(=O)N2CC[C@@H](N)C2)nc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1cn(CC(=O)N2CCCC[C@@H](C)C2)nc1-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1cn(CC(=O)N2C3CCC2C(N)C3)nc1-c1ccc(C#N)c(F)c1 |TLB:13:15:18.17:22.20|
COc1ccc(cc1F)-c1cn(CC(=O)NC2CC3CCC2N3)nc1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1cn(CC(=O)N2CC3CNCC3C2)nc1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1cn(CC(=O)N2CCCNCC2)nc1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1cn(CC(=O)N2CC(N)C2)nc1-c1ccc(C#N)c(F)c1
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCS(N)(=O)=O)C2
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2c(OCc3ccc(/C=C/C(=O)NO)cc3)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1F
CS(=O)(=O)c1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1
N#Cc1ccc(-c2nc(N3CCC(N)CC3)cc(OCCCCCCC(=O)NO)c2-c2ccc(N)cc2)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)cc(OCCCCCCC(=O)NO)c2-c2ccc(F)c(F)c2)cc1F
Cc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3C4CCC3CC(N)C4)nc2-c2ccc(C#N)c(F)c2)cc1O
Cc1cc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)ccn1
N#Cc1ccc(-c2nc(N3CCC(N)CC3)cc(OCCCCCCC(=O)NO)c2-c2ccc(Cl)cc2)cc1F
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)cc2)cc1O
CN(C)c1ncc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cn1
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CC4CC3CC4N)nc2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2c(OCCCCCCC(=O)NO)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(C)c2)cc1O
N#Cc1ccc(-c2nc(N3CCC(N)CC3)cc(OCCCCCCC(=O)NO)c2-c2ccc(OCCO)cc2)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)cc(O)c2-c2ccc(OCCCCCCC(=O)NO)c(O)c2)cc1F
COC1=C(OCCCCCCC(=O)NO)CC(C2=C(c3ccc(C#N)c(F)c3)N=C(N3CCC(N)CC3)N3C=CNC23)C=C1
N#Cc1ccc(-c2nc(N3CCC(N)CC3)n3ccnc3c2-c2ccc(OCCCCCCC(=O)ON)c(O)c2)cc1F
N#Cc1ccc(-c2nc(N3CC4CC3CC4N)n3ccnc3c2-c2ccc(OCCCCCCC(=O)NO)c(O)c2)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)n3ccnc3c2-c2ccc(OCc3ccc(/C=C/C(=O)NO)cc3)c(O)c2)cc1F
CNC1CCN(C2N=CC(c3ccc(OCCCCCCC(=O)NO)c(O)c3)=C(c3ccc(C#N)c(F)c3)C2C#N)CC1
N#Cc1ccc(-c2c(-c3ccc(OCCCCCCC(=O)NO)c(O)c3)cnc(N3CCC(N)CC3)c2C#N)cc1F
Cc1nc(N2CCC(N)CC2)c(C#N)c(-c2ccc(C#N)c(F)c2)c1-c1ccc(OCCCCCCC(=O)NO)c(O)c1
COc1cc(N2CCC(N)CC2)nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(OCCCCCCC(=O)NO)c(O)c1
COc1cc(N2CCC(N)CC2)nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(/C=C/C(=O)NO)c(O)c1
COc1cc(N2CCC(N)CC2)nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(OC/C=C/C(=O)ON)c(O)c1
COc4ccc(c2c(OC)cc(N1CCC(N)CC1)nc2c3ccc(C#N)c(F)c3)cc4OCCNCc5ccc(/C=C/C(=O)NO)cc5
N#Cc3ccc(c2cc(OCCCCCCC(=O)NO)cc(N1CCC(N)CC1)n2)cc3F
N#Cc5ccc(c3cc(C(=O)N1C2CCC1CC(N)C2)sc3c4ccc(OCCCCCCC(=O)NO)c(O)c4)cc5F
COc5ccc(c3sc(C(=O)N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)cc3c4ccc(C#N)c(F)c4)cc5O
Cc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(CCCCCCCC(=O)NO)CC3)n3ccnc23)cc1O
COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(NCCCCCCC(=O)NO)CC3)n3ccnc23)cc1O
Cc6noc7cc(c4c(c1ccc(C#N)c(F)c1)nc(N3CCC(NCc2ccc(/C=C/C(=O)NO)cc2)CC3)n5ccnc45)c(F)cc67
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CNC1CCN(c2ncc(-c3ccc(NCc4ccc(C(=O)NO)cc4)c(O)c3)c(-c3ccc(C#N)c(F)c3)c2C#N)CC1
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(N(C)Cc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(CCC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(C)(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2c(C)nc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1
COc5ccc(c3c(OC)cc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)nc3c4ccc(C#N)c(F)c4)cc5O
Cc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(NC(=O)CCCCCCC(=O)NO)CC3)n3ccnc23)cc1O
CCCCCCCC(NO)Nc1ccc(C2=C(c3ccc(C#N)c(F)c3)N=C(N3CCC(N)CC3)N3C=CNC23)cc1O
N#Cc4ccc(c2c(C#N)c(N1CCC(N)CC1)ncc2c3ccc(NC(=O)CCCCCCC(=O)NO)c(O)c3)cc4F
N#Cc1ccc(-c2c(-c3ccc(/C=C/C(=O)NO)c(O)c3)cnc(N3CCC(N)CC3)c2C#N)cc1F
N#Cc1ccc(-c2c(-c3ccc(/C=C/C(=O)NO)cc3)cnc(N3CCC(N)CC3)c2C#N)cc1F
CC1(N)CCN(c2ncc(-c3ccc(/C=C/C(=O)NO)c(O)c3)c(-c3ccc(C#N)c(F)c3)c2C#N)CC1
COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)n(C)c2=O)cc1O
N#Cc1ccc(-c2cc(OCc3ccc(/C=C/C(=O)NO)cc3)cc(N3CCC(N)CC3)n2)cc1F
COc1ccc(C2=C(c3ccc(C#N)c(F)c3)N=C(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)N3C=CNC23)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3ccc(C(=O)N2CC[C@H](NCc1ccc(/C=C/C(=O)NO)cc1)C2)cc3c4ccc(C#N)c(F)c4)cc5O
COc1cc(-c2ccc(C(=O)N3CC[C@H](NCc4ccc(/C=C/C(=O)NO)cc4)C3)cc2-c2ccc(C#N)c(F)c2)ccc1O
COc5ccc(c3ccc(CN2CC[C@H](NCc1ccc(/C=C/C(=O)NO)cc1)C2)cc3c4ccc(C#N)c(F)c4)cc5O
COc1cc(-c2ccc(CN3CC[C@H](NCc4ccc(/C=C/C(=O)NO)cc4)C3)cc2-c2ccc(C#N)c(F)c2)ccc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(F)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)cc3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(Nc1cccc(/C=C/C(=O)NO)c1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(C2=CN=C(N3CCC(Nc4ncc(C(=O)NO)cn4)CC3)C(C#N)C2c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3ccc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(N)(c4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(N)(CCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(OC)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc1ccc(-c2c(-c3ccc(/C=C/C(=O)NO)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1cc(-c2cnc(N3CCC(NCCc4cccc(/C=C/C(=O)NO)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc1cc(-c2cnc(N3CC4CC3CC4NCc3ccc(/C=C/C(=O)NO)cc3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc1cc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc1cc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)ncc3c4ccc(F)c(O)c4)cc5F
COc1cc(-c2cnc(N3CCC(NCc4cccc(/C=C/C(=O)NO)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc1cc(-c2cnc(N3CCC(N(C)Cc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc1cc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
Cc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc4c(c3)OCO4)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)s4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCCCc4ccc(C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)c(OC)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(C#CC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
Cc1noc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)c(F)cc12
N#Cc1ccc(-c2c(-c3ccc(C4CC4)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)s4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4cccc(/C=C/C(O)=N/O)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCCNc4ncc(C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(OC(F)(F)F)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)cc4)cc5O
COc1cc(-c2cnc(N3CC4CC3CC4NCc3ccc(/C=C/C(=O)NO)cc3)c(C#N)c2-c2ccc(C#N)c(F)c2)ccc1O
COc5ccc(c3cnc(N2CCC(NCCc1ccc(CC(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCC4CCN(c5ccc(C(=O)NO)cc5)CC4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)ncc3c4ccc(OC(F)F)c(O)c4)cc5F
COc1ccc(-c2cnc(N3CCC(NCCCc4ncc(C(=O)NO)s4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc5cc(C(=O)NO)sc5c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(Br)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(OCC(=O)NO)c(OC)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)ncc3c4ccc(C(F)(F)F)c(O)c4)cc5F
COc5cc(F)c(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc1ccc(-c2c(-c3ccc(CO)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1OC)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)cc4F)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ncc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
Cn1cnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)ccc21
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)ncc3c4ccc(O)c(O)c4)cc5F
COc1ccc(-c2cnc(N3CCC4(CC3)CN(Cc3ccc(/C=C/C(=O)NO)cc3)C4)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3cccc(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)c(O)c1O
Cn1nnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)ccc21
N#Cc1ccc(-c2c(-c3ccc4cn[nH]c4c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cc1F
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(OC(F)F)c(O)c3)cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
Cc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc([N+](=O)[O-])cc2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ncc(/C=C/C(=O)NO)s4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4cnc(CCC(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
CN(C)c1ccc(-c2cnc(N3CCC(NCc4ccc(CCC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4F)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCC4CC=C(/C=C/C(=O)NO)CC4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4Cl)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1cc(O)c(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
Cc1c(O)cc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)c(C#N)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCCOc4ccc(C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1cc(OC)c(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(O)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(C5CC5C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1c(O)cc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/CC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C(C)=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(F)\C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(C)/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc5sc(C(=O)NO)cc5c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3c(C#N)cc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)nc3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(C2=CN=C(N3CCC(NC(=O)CCCCCCC(=O)NO)CC3)C(C#N)C2c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)o4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NC(C)(C)c1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)c5[nH]ncc45)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(OCC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc4cn[nH]c4c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c2C#N)cc1F
COc5ccc(c3cnc(N2CCC(NCc1ccc(OC(C)C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc1ccc(-c2c(-c3ccc4cn[nH]c4c3)cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c2C#N)cc1F
CC(C)(O)COc5ccc(c3cnc(N2CCC(NCc1cnc(CCC(=O)NO)s1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1cnc(/C=C/C(=O)NO)nc1)CC2)ncc3c4ccc(C(F)(F)F)c(O)c4)cc5F
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
CC(C)(O)COc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)c(C#N)c4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1ccc(CCC(=O)NO)cc1)CC2)ncc3c4ccc(C(F)(F)F)c(O)c4)cc5F
COc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)nc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)COc5ccc(c3cnc(N2CCC(NCc1ccc(OCC(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)c(C#N)c1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CNc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)cn1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc5ccc(c3c(C#N)c(N2CCC(NCc1cnc(CCC(=O)NO)nc1)CC2)ncc3c4ccc(C(F)(F)F)c(O)c4)cc5F
CNc5ccc(c3cnc(N2CCC(NCc1cnc(/C=C/C(=O)NO)nc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)Cn1nnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)ccc21
CC(C)(O)COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(F)\C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)c(F)c1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)c(F)c1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1cnc(/C=C/C(=O)NO)nc1)CC2)c(C)c3c4ccc(C#N)c(F)c4)cc5O
N#Cc6ccc(c3c(C#N)c(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)ncc3c5ccc(N4CCOCC4)c(O)c5)cc6F
CC(C)(O)COc5ccc(c3cnc(N2CCC(NCc1ccc(CCC(=O)NO)nc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(C)(NCc1cnc(/C=C/C(=O)NO)nc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
Cc1c(N2CCC(NCc3ccc(/C=C/C(=O)NO)cc3)CC2)ncc(-c2ccc(OCC(C)(C)O)c(O)c2)c1-c1ccc(C#N)c(F)c1
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)nc2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(CCC(=O)NO)cc4)CC3)c(C)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NC(C)c1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4C)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
C/C(=C\C(=O)NO)c5ccc(CNC4CCN(c3ncc(c1ccc(OCC(C)(C)O)c(O)c1)c(c2ccc(C#N)c(F)c2)c3C#N)CC4)cc5
COc1ccc(-c2cnc(N3CCC(C)(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
CC1(NCc2ccc(/C=C/C(=O)NO)cc2)CCN(c2ncc(-c3ccc(OC(F)(F)F)c(O)c3)c(-c3ccc(C#N)c(F)c3)c2C#N)CC1
CC(C)(O)COc5ccc(c3cnc(N2CCC(C)(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(SCC(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c(CC#N)c2-c2ccc(C#N)c(F)c2)cc1O
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(CC#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(CC(F)C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(C)/C(=O)NO)nc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c(CC#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(CCC(=O)NO)cc4Cl)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
CC(C)(O)COc5ccc(c3cnc(N2CCC(NC(C)(C)c1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC(C)(O)Cn1nnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cn5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)ccc21
CC(C)(O)Cn1nnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)nc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)ccc21
CC(C)(O)Cn1nnc2cc(-c3cnc(N4CCC(NCc5ccc(/C=C/C(=O)NO)cc5)CC4)c(C#N)c3-c3ccc(C#N)c(F)c3)c(F)c(F)c21
COc1ccc(-c2cnc(N3CCC(NCc4cnc(/C=C/C(=O)NO)cc4Cl)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
COc5ccc(c3cnc(N2CCC(CNCc1ccc(/C=C/C(=O)NO)cc1)C2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
CC1(NCc2ccc(/C=C/C(=O)NO)cc2)CCN(c2ncc(-c3ccc(OCC4(O)CC4)c(O)c3)c(-c3ccc(C#N)c(F)c3)c2C#N)CC1
COc1ccc(-c2cnc(N3CCC(NCc4ncc(/C=C/C(=O)NO)cc4F)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(OCCc4ccc(/C=C/C(=O)NO)cc4)c(O)c3)cnc(N3CCC(N)CC3)c2C#N)cc1F
O=C(/C=C/c6ccc(CNC(=O)c5cc(CN[C@@H]1C[C@H]1c2ccc(F)cc2)nc(c4ccc(n3cccn3)cc4)n5)cc6)NO
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(CC#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2c(C#N)cc(N3CCC(NCC4C=NC(/C=C/C(=O)NO)=NC4)CC3)nc2-c2ccc(C#N)c(F)c2)cc1O
CC(NC1CCN(c2ncc(-c3ccc(OCC(C)(C)O)c(O)c3)c(-c3ccc(C#N)c(F)c3)c2C#N)CC1)c1ccc(/C=C/C(=O)NO)cc1
Cc5noc6cc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cn1)CC2)c(C#N)c3c4ccc(C#N)c(F)c4)c(F)cc56
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cn1
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c2C#N)cn1
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c2C#N)cc1F
COc1cc(F)c(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c(C#N)c2-c2ccc(C#N)nc2)cc1O
N#Cc1ccc(-c2c(-c3ccc(Cl)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4F)CC3)c2C#N)cn1
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)C(C)C2)c(C#N)c3c4ccc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2cnc(C#N)c(OC)c2)cc1O
N#Cc1ccc(-c2c(-c3ccc(N4CCOCC4)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cn1
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C#N)nc2)cc1O
N#Cc1ccc(-c2c(-c3ccc(N4CCOCC4)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cn4)CC3)c2C#N)cc1F
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2cnc(C#N)c(C)c2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc([N+](=O)[O-])nc2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4cnc(C#N)c(F)c4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2cnc(C#N)nc2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)nc4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4F)CC3)c(C#N)c2-c2ccc(C#N)nc2)cc1O
COC(=O)c1ccc(-c2c(-c3ccc(OC)c(O)c3)cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c2C#N)cn1
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C)c3c4ccc(C#N)nc4)cc5O
COc5cc(F)c(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)nc4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2cnc(C#N)cn2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)c(OC)c1)CC2)c(C#N)c3c4ccc(C#N)nc4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)c(F)c1)CC2)c(C#N)c3c4ccc(C#N)nc4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(C#N)c2-c2ccc(C(N)=O)nc2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(F)\C(=O)NO)cc1)CC2)c(C#N)c3c4ccc(C#N)nc4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(CC#N)c3c4ccc(C#N)nc4)cc5O
COc5cc(F)c(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(C)c3c4ccc(C#N)nc4)cc5O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C/C(=O)NO)cc1)CC2)c(OC)c3c4ccc(C#N)nc4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4F)CC3)c(OC)c2-c2ccc(C#N)nc2)cc1O
COc1cc(F)c(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(OC)c2-c2ccc(C#N)nc2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)nc4)CC3)c(OC)c2-c2ccc(C#N)nc2)cc1O
COc1ccc(C2=C(C3C=NC(C#N)=CC3)C(C#N)C(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)C=C2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(F)c2-c2ccc(C#N)nc2)cc1O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4F)CC3)c(F)c2-c2ccc(C#N)nc2)cc1O
COc1cc(F)c(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)c(F)c2-c2ccc(C#N)nc2)cc1O
COc5ccc(c3cnc(N2CCC(NCc1ccc(/C=C(F)\C(=O)NO)cc1)CC2)c(F)c3c4ccc(C#N)nc4)cc5O
COc1ccc(-c2cnc(N3CCC(NCc4ccc(/C=C/C(=O)NO)cc4)CC3)cc2-c2ccc(C#N)nc2)cc1O
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
CNC(=O)CCCCCCC(=O)Cc1ccccc1
Cc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C)-c1ccc(cc1)C#N |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCO)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCO)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cn1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C)-c1ccc(cc1)C#N |r|
Cn1c(cc(c1-c1ccncc1)-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCO)-c1ccc(cc1)C#N |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCO)-c1ccc(C#N)c(F)c1 |r|
Cc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCCO)-c1ccc(C#N)c(F)c1 |r|
Cn1cnc2cc(ccc12)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C)-c1ccc(C#N)c(F)c1 |r|
Cc1c(nc(-c2ccc(cc2)C#N)n1-c1ccc(C)cc1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](N)C1 |r|
COc1ccc(cc1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
COc1ccc(cn1)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@H](N)C1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
COc1ccc(cc1F)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CC[C@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2n(C)ncc2c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2n(C)ncc2c1)C(=O)N1CC[C@H](N)C1 |r|
Cn1cc2cc(ccc2n1)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cc2cc(ccc2n1)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
Cn1ncc2cc(ccc12)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1ncc2cc(ccc12)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N[C@@H]2CCNC2)n1C)-c1ccc(C#N)c(F)c1 |r|
CN(CCN)C(=O)c1cc(c(-c2ccc3nn(C)cc3c2)n1C)-c1ccc(C#N)c(F)c1
CNCCNC(=O)c1cc(c(-c2ccc3nn(C)cc3c2)n1C)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)NCC2CCNC2)n1C)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCCO)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCO)-c1ccc(C#N)c(F)c1 |r|
COCCn1c(cc(c1-c1ccc2nn(C)cc2c1)-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CC(N)=O)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C[C@@H](O)CO)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1C[C@H](O)CO)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(ccc2n1)-c1c(cc(C(=O)NC[C@@H]2CCNC2)n1C)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCCC(O)=O)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1)-c1c(cc(C(=O)N2CCC[C@@H](N)C2)n1CCCC(N)=O)-c1ccc(C#N)c(F)c1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CCC(N)CC1
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)NC1CCNC1
CN(CCN)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)NC1CCCNC1
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1cc2cn(C)nc2cc1F)C(=O)N1CCC[C@@H](N)C1 |r,wD:32.36,(2.48,-3.41,;1.71,-2.07,;2.62,-.83,;1.71,.42,;.25,-.06,;-.84,1.03,;-2.33,.63,;-3.42,1.72,;-3.06,3.3,;-4.13,4.4,;-5.21,5.51,;-1.53,3.61,;-1.13,5.09,;-.44,2.52,;.25,-1.6,;-1.08,-2.37,;-2.57,-1.97,;-3.66,-3.06,;-5.2,-2.98,;-5.75,-4.42,;-7.24,-4.82,;-4.55,-5.39,;-3.26,-4.55,;-1.78,-4.95,;-.69,-3.86,;.8,-4.26,;4.16,-.83,;4.93,-2.16,;4.93,.5,;6.47,.5,;7.24,1.84,;6.47,3.17,;4.93,3.17,;4.16,4.51,;4.16,1.84,)|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:3.2,(71.62,-2.08,;70.3,-2.85,;68.96,-2.09,;70.3,-4.4,;71.64,-5.17,;71.32,-6.67,;69.8,-6.84,;69.16,-5.43,;69.03,-8.17,;69.8,-9.51,;67.49,-8.18,;66.62,-6.9,;65.15,-7.33,;63.81,-6.56,;62.48,-7.34,;61.15,-6.57,;61.14,-5.02,;59.81,-4.26,;58.47,-3.5,;62.48,-4.25,;62.47,-2.71,;63.81,-5.02,;65.1,-8.87,;66.54,-9.39,;66.97,-10.87,;63.77,-9.65,;62.44,-8.88,;61.1,-9.66,;59.63,-9.19,;58.73,-10.44,;57.19,-10.44,;59.64,-11.68,;61.11,-11.2,;62.44,-11.97,;63.78,-11.2,;65.11,-11.96,)|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:2.1,(54.64,-1.99,;53.31,-2.77,;53.32,-4.31,;54.65,-5.08,;54.33,-6.59,;52.81,-6.75,;52.17,-5.35,;52.04,-8.09,;52.81,-9.42,;50.5,-8.09,;49.63,-6.81,;48.16,-7.25,;46.82,-6.48,;45.49,-7.25,;44.16,-6.49,;44.15,-4.94,;42.82,-4.18,;41.48,-3.41,;45.49,-4.16,;45.49,-2.62,;46.82,-4.93,;48.11,-8.79,;49.56,-9.31,;49.99,-10.78,;46.78,-9.56,;45.45,-8.8,;44.11,-9.57,;42.65,-9.1,;41.75,-10.35,;40.21,-10.36,;42.66,-11.59,;44.12,-11.11,;45.45,-11.88,;46.79,-11.11,;48.12,-11.88,)|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1cc(F)c2nn(C)cc2c1)C(=O)N1CC[C@H](N)C1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc(F)c2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc(F)c2nn(C)cc2c1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(Cl)c2c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN1CCC[C@H](C1)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1F)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN1CCC[C@H](C1)NC(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN1CCC[C@H](C1)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r|
Cn1nc2ccc(cc2c1Cl)-n1c(F)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCCNC1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@H]1CCCNC1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc(OC)c(F)c1 |r|
CN[C@H]1CCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc(OC)c(F)c1 |r|
COc1ccc(cc1F)-n1c(Cl)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-n1c(F)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1F)-c1ccc(OC)c(F)c1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc(OC)cc1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc(OC)cc1 |r|
CN[C@H]1CCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc(OC)cc1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc(OC)cc1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1F)-c1ccc(OC)cc1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1F)-c1ccc(OC)cc1 |r|
Cn1cc2cc(ccc2n1)-n1c(Cl)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1nc2ccc(cc2c1Cl)-n1c(Cl)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cc2cc(ccc2n1)-n1c(F)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc(nc1)C1CC1)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc(nc1)C1CC1)C(=O)N1CC[C@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1Cl)-c1ccc(nc1)C1CC1 |r|
N[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1Cl)-c1ccc(nc1)C1CC1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCNC1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@H]1CCNC1 |r|
COc1ccc(cc1F)-n1c(Cl)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCCNC1 |r|
COc1ccc(cc1F)-n1c(Cl)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@H]1CCCNC1 |r|
COc1ccc(cc1F)-n1c(F)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCCNC1 |r|
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)NC1CCNCC1
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC(CN)C1
COc1ccc(cc1F)-n1c(F)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CCC2(CCCN2)C1
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CCC2(CNC2)C1
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2n(C)ncc2c1)C(=O)N1CCC2(CCN2)C1
Cn1nc2ccc(cc2c1Cl)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CCN2)C1
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2n(C)ncc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN[C@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1Cl)-c1ccc2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1Cl)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(C)c2c1 |r|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(C)c2c1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(C)c2c1)C(=O)N[C@@H]1CCCNC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(C)c2c1 |r|
CN1CC[C@H](C1)NC(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN1CC[C@@H](C1)NC(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN1CC[C@H](C1)NC(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1 |r|
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2c(Cl)n(C)nc2cc1F |r,wU:3.2,(3.47,4.79,;4.95,4.39,;6.04,5.48,;5.35,2.9,;6.82,2.43,;6.82,.89,;5.35,.41,;4.45,1.66,;4.58,-.92,;5.35,-2.26,;3.04,-.92,;2.14,.32,;.67,-.15,;-.42,.94,;-1.9,.54,;-2.99,1.63,;-2.63,3.15,;-3.72,4.24,;-4.81,5.33,;-1.11,3.51,;-.71,5,;-.02,2.42,;.67,-1.69,;2.14,-2.17,;2.91,-3.5,;-.66,-2.46,;-2.15,-2.06,;-3.24,-3.15,;-4.78,-3.07,;-5.55,-1.74,;-5.33,-4.51,;-6.82,-4.91,;-4.13,-5.48,;-2.84,-4.64,;-1.35,-5.04,;-.26,-3.95,;1.22,-4.35,)|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2c(Cl)n(C)nc2cc1F |r,wU:2.1,(6.04,5.48,;4.95,4.39,;5.35,2.9,;6.82,2.43,;6.82,.89,;5.35,.41,;4.45,1.66,;4.58,-.92,;5.35,-2.26,;3.04,-.92,;2.14,.32,;.67,-.15,;-.42,.94,;-1.9,.54,;-2.99,1.63,;-2.63,3.15,;-3.72,4.24,;-4.81,5.33,;-1.11,3.51,;-.71,5,;-.02,2.42,;.67,-1.69,;2.14,-2.17,;2.91,-3.5,;-.66,-2.46,;-2.15,-2.06,;-3.24,-3.15,;-4.78,-3.07,;-5.55,-1.74,;-5.33,-4.51,;-6.82,-4.91,;-4.13,-5.48,;-2.84,-4.64,;-1.35,-5.04,;-.26,-3.95,;1.22,-4.35,)|
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc(F)c2nn(C)c(Cl)c2c1 |r|
CN[C@H]1CCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
Cn1nc2ccc(cc2c1Cl)-n1cc(nc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCCNC1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
CN[C@H]1CCCN(C1)C(=O)c1cn(c(n1)-c1ccc(C#N)c(F)c1)-c1ccc2nn(C)c(Cl)c2c1 |r|
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)c(Cl)c2c1)C(=O)N[C@@H]1CCCNC1 |r|
CN[C@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1 |r|
COc1ccc(cc1F)-c1c(nc2c(nccn12)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nn2c(ccnc12)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nn2c(ccnc12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc2c(nccn12)N1CCCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc2c(NCC3CCCN3)nccn12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc2c(NC3CCCNC3)nccn12)-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
CN1CCOc2cc(ccc12)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)c1nccn2c(-c3cnn(CC(F)(F)F)c3)c(nc12)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1ncc2cc(ccc12)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1nnc2cc(-c3c(nc4c(nccn34)N3CCCC(N)C3)-c3ccc(C#N)c(F)c3)c(F)cc12 |(-12.72,-27.26,;-11.69,-28.4,;-12.16,-29.87,;-13.2,-28.72,;-10.18,-28.08,;-9.71,-26.62,;-10.61,-25.37,;-9.71,-24.13,;-8.24,-24.6,;-6.91,-23.83,;-5.57,-24.6,;-4.24,-23.83,;-4.08,-22.3,;-2.57,-21.98,;-1.8,-23.31,;-.3,-23.63,;.18,-25.1,;-.85,-26.24,;-2.36,-25.92,;-2.83,-24.46,;.73,-22.49,;.26,-21.03,;1.29,-19.88,;2.79,-20.2,;3.32,-21.68,;4.83,-22,;2.24,-22.81,;-5.22,-21.27,;-6.69,-21.75,;-7.83,-20.72,;-7.51,-19.21,;-8.66,-18.18,;-9.8,-17.15,;-6.05,-18.73,;-5.73,-17.23,;-4.9,-19.76,;-5.57,-26.14,;-4.24,-26.91,;-6.91,-26.91,;-8.24,-26.14,)|
COc1ccc(cc1F)-c1c(nc2c(NCC3CCNC3)nccn12)-c1ccc(C#N)c(F)c1
N[C@H]1CC[C@H](C1)Nc1nccn2c(Br)c(nc12)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc2c(N[C@@H]3CC[C@@H](N)C3)nccn12)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(nc2c(NC3CCNC3)nccn12)-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
CN(C)C(=O)Cn1ncc2cc(ccc12)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1ncc2cc(-c3c(nc4c(nccn34)N3CCC[C@@H](N)C3)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wU:24.26,(-10.9,-19.97,;-9.87,-21.12,;-10.35,-22.58,;-11.38,-21.44,;-8.36,-20.8,;-7.89,-19.33,;-8.79,-18.08,;-7.89,-16.84,;-6.42,-17.31,;-5.09,-16.54,;-3.76,-17.31,;-2.42,-16.54,;-2.26,-15.01,;-.76,-14.69,;.01,-16.03,;1.52,-16.35,;2,-17.81,;.97,-18.96,;-.54,-18.64,;-1.02,-17.17,;2.55,-15.2,;2.07,-13.74,;3.11,-12.59,;4.61,-12.91,;5.14,-14.39,;6.65,-14.71,;4.06,-15.52,;-3.41,-13.98,;-4.87,-14.46,;-6.02,-13.43,;-5.7,-11.92,;-6.84,-10.89,;-7.98,-9.86,;-4.23,-11.45,;-3.91,-9.94,;-3.09,-12.48,;-3.76,-18.85,;-2.42,-19.62,;-5.09,-19.62,;-6.42,-18.85,)|
CC(C)(O)Cn1nnc2cc(ccc12)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1cc2cc(-c3c(nc4c(nccn34)N3CCC[C@@H](N)C3)-c3ccc(C#N)c(F)c3)c(F)cc2n1 |r,wU:23.25,(-9.62,-4.03,;-8.08,-4.03,;-7.31,-5.37,;-8.48,-5.52,;-7.31,-2.7,;-5.77,-2.7,;-4.86,-1.46,;-3.4,-1.93,;-2.07,-1.16,;-.73,-1.93,;.6,-1.16,;.76,.37,;2.27,.69,;3.04,-.64,;4.55,-.96,;5.02,-2.43,;3.99,-3.57,;2.48,-3.25,;2.01,-1.79,;5.58,.18,;5.1,1.65,;6.13,2.79,;7.64,2.47,;8.11,1.01,;9.62,.69,;7.08,-.14,;-.38,1.4,;-1.85,.92,;-2.99,1.96,;-2.67,3.46,;-3.82,4.49,;-4.96,5.52,;-1.21,3.94,;-.89,5.44,;-.06,2.91,;-.73,-3.47,;.6,-4.24,;-2.07,-4.24,;-3.4,-3.47,;-4.86,-3.95,)|
CC(C)(O)Cc1ccc(-c2c(nc3c(nccn23)N2CCC[C@@H](N)C2)-c2ccc(C#N)c(F)c2)c(F)c1 |r,wU:22.24,(-20.26,-24.62,;-18.89,-23.92,;-18.81,-22.39,;-20.18,-23.08,;-17.6,-24.76,;-16.22,-24.06,;-16.14,-22.53,;-14.77,-21.83,;-13.48,-22.66,;-12.11,-21.97,;-11.87,-20.44,;-10.35,-20.2,;-9.65,-21.58,;-8.16,-21.97,;-7.76,-23.46,;-8.85,-24.55,;-10.34,-24.15,;-10.74,-22.66,;-7.07,-20.89,;-7.47,-19.4,;-6.38,-18.31,;-4.89,-18.71,;-4.44,-20.21,;-2.95,-20.61,;-5.58,-21.28,;-12.96,-19.36,;-14.44,-19.75,;-15.53,-18.67,;-15.13,-17.18,;-16.22,-16.09,;-17.31,-15,;-13.65,-16.78,;-13.25,-15.29,;-12.56,-17.87,;-13.56,-24.2,;-12.27,-25.04,;-14.93,-24.9,)|
CC(C)(O)Cn1nnc2cc(-c3c(nc4c(nccn34)N3CCC[C@H](N)C3)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wD:24.26,(-15.9,-21.63,;-14.87,-22.78,;-15.34,-24.24,;-16.37,-23.1,;-13.36,-22.45,;-12.88,-20.99,;-13.79,-19.74,;-12.88,-18.5,;-11.42,-18.97,;-10.09,-18.2,;-8.75,-18.97,;-7.42,-18.2,;-7.26,-16.67,;-5.75,-16.35,;-4.98,-17.69,;-3.47,-18.01,;-3,-19.47,;-4.03,-20.62,;-5.54,-20.3,;-6.01,-18.83,;-2.44,-16.86,;-2.92,-15.4,;-1.89,-14.25,;-.38,-14.57,;.15,-16.05,;1.65,-16.37,;-.94,-17.18,;-8.4,-15.64,;-9.87,-16.12,;-11.01,-15.09,;-10.69,-13.58,;-11.83,-12.55,;-12.98,-11.52,;-9.23,-13.11,;-8.91,-11.6,;-8.08,-14.14,;-8.75,-20.51,;-7.42,-21.28,;-10.09,-21.28,;-11.42,-20.51,)|
CCC(O)(CC)Cn1nnc2cc(-c3c(nc4c(nccn34)N3CCC[C@@H](N)C3)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wU:26.28,(-13.95,-14.3,;-13.95,-15.84,;-12.62,-16.61,;-11.53,-17.7,;-13.56,-17.83,;-15.08,-17.63,;-11.13,-16.21,;-10.73,-14.73,;-11.64,-13.48,;-10.73,-12.23,;-9.27,-12.71,;-7.93,-11.94,;-6.6,-12.71,;-5.27,-11.94,;-5.1,-10.41,;-3.6,-10.09,;-2.83,-11.42,;-1.32,-11.74,;-.85,-13.21,;-1.88,-14.35,;-3.38,-14.03,;-3.86,-12.57,;-.29,-10.6,;-.77,-9.13,;.26,-7.99,;1.77,-8.31,;2.3,-9.79,;3.81,-10.11,;1.21,-10.92,;-6.25,-9.38,;-7.71,-9.85,;-8.86,-8.82,;-8.54,-7.32,;-9.68,-6.29,;-10.82,-5.26,;-7.07,-6.84,;-6.75,-5.34,;-5.93,-7.87,;-6.6,-14.25,;-5.27,-15.02,;-7.93,-15.02,;-9.27,-14.25,)|
CC(C)(O)Cn1nnc2cc(-c3c(nc4c(nccn34)N3[C@@H]4CC[C@H]3[C@@H](N)C4)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wU:25.28,wD:21.22,24.26,TLB:15:20:22.23:27.25,(-5.75,-25.14,;-4.72,-26.28,;-5.19,-27.75,;-6.22,-26.6,;-3.21,-25.96,;-2.73,-24.5,;-3.64,-23.25,;-2.73,-22,;-1.27,-22.48,;.06,-21.71,;1.4,-22.48,;2.73,-21.71,;2.89,-20.18,;4.4,-19.86,;5.17,-21.19,;6.68,-21.51,;7.15,-22.98,;6.12,-24.12,;4.61,-23.8,;4.14,-22.34,;7.76,-20.42,;9.25,-20.82,;7.76,-21.22,;6.68,-20.13,;7.07,-18.64,;8.59,-18.16,;8.99,-16.68,;9.65,-19.33,;1.75,-19.15,;.28,-19.62,;-.86,-18.59,;-.54,-17.09,;-1.69,-16.06,;-2.83,-15.03,;.92,-16.61,;1.24,-15.1,;2.07,-17.64,;1.4,-24.02,;2.73,-24.79,;.06,-24.79,;-1.27,-24.02,)|
CC(C)(O)Cn1nnc2cc(-c3c(nc4c(nccn34)N3[C@H]4CC[C@@H]3C[C@@H](C4)NC(=O)OC(C)(C)C)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wU:26.31,wD:21.22,24.26,TLB:15:20:25.26.27:22.23,(-19.89,-34.55,;-18.86,-35.7,;-19.34,-37.16,;-20.37,-36.02,;-17.35,-35.38,;-16.88,-33.91,;-17.78,-32.67,;-16.88,-31.42,;-15.41,-31.9,;-14.08,-31.13,;-12.75,-31.9,;-11.41,-31.13,;-11.25,-29.6,;-9.74,-29.28,;-8.97,-30.61,;-7.47,-30.93,;-6.99,-32.39,;-8.02,-33.54,;-9.53,-33.22,;-10,-31.75,;-6.38,-29.84,;-7.15,-28.51,;-7.15,-30.05,;-5.94,-31.01,;-4.44,-30.66,;-3.78,-29.28,;-4.39,-27.82,;-5.94,-27.55,;-3.42,-26.62,;-3.99,-25.18,;-5.51,-24.95,;-3.02,-23.98,;-3.59,-22.55,;-4.15,-21.11,;-2.15,-21.99,;-5.02,-23.11,;-12.39,-28.57,;-13.86,-29.04,;-15,-28.01,;-14.68,-26.5,;-15.83,-25.47,;-16.97,-24.44,;-13.22,-26.03,;-12.9,-24.52,;-12.07,-27.06,;-12.75,-33.44,;-11.41,-34.21,;-14.08,-34.21,;-15.41,-33.44,)|
Cn1nnc2cc(-c3c(nc4c(nccn34)N3CCC[C@@H](N)C3)-c3ccc(C#N)c(F)c3)c(F)cc12 |r,wU:20.22,(-6.6,-30.48,;-6.13,-29.02,;-7.03,-27.77,;-6.13,-26.53,;-4.66,-27,;-3.33,-26.23,;-1.99,-27,;-.66,-26.23,;-.5,-24.7,;1.01,-24.38,;1.78,-25.72,;3.28,-26.04,;3.76,-27.5,;2.73,-28.64,;1.22,-28.32,;.75,-26.86,;4.31,-24.89,;3.84,-23.43,;4.87,-22.28,;6.38,-22.6,;6.85,-24.07,;8.36,-24.39,;5.82,-25.21,;-1.64,-23.67,;-3.11,-24.15,;-4.25,-23.12,;-3.93,-21.61,;-5.08,-20.58,;-6.22,-19.55,;-2.47,-21.13,;-2.15,-19.63,;-1.32,-22.16,;-1.99,-28.54,;-.66,-29.31,;-3.33,-29.31,;-4.66,-28.54,)|
NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCc1ccccc1)c1ccccc1
CN(C)c1ccc(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)cc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCc1ccncc1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCc1ccc2[nH]ccc2c1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCc1c[nH]c2ccccc12)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCCCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCCC1CCNCC1)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CNC1)c1ccccc1
NC1CCC(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |(9.62,5.36,;8.29,4.59,;8.29,3.05,;6.95,2.28,;5.62,3.05,;4.29,2.28,;2.95,3.05,;1.86,1.97,;1.09,3.3,;.32,1.97,;-1.01,1.2,;-1.01,-.34,;-2.34,-1.11,;-3.68,-.34,;-5.14,-.82,;-6.05,.43,;-5.14,1.67,;-3.68,1.2,;-2.34,1.97,;-5.62,-2.28,;-4.08,-2.28,;-4.85,-3.62,;-6.95,-3.05,;-8.29,-2.28,;-9.62,-3.05,;-9.62,-4.59,;-8.29,-5.36,;-6.95,-4.59,;5.62,4.59,;6.95,5.36,)|
NC1CCC(CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |(9.26,2.27,;7.77,2.67,;6.68,1.58,;5.2,1.98,;4.8,3.47,;5.89,4.55,;7.37,4.16,;3.31,3.86,;2.22,2.78,;1.45,4.11,;.68,2.78,;-.65,2.01,;-.65,.47,;-1.99,-.3,;-3.32,.47,;-4.78,-.01,;-5.69,1.24,;-4.78,2.48,;-3.32,2.01,;-1.99,2.78,;-5.26,-1.47,;-3.72,-1.47,;-4.49,-2.81,;-6.59,-2.24,;-7.93,-1.47,;-9.26,-2.24,;-9.26,-3.78,;-7.93,-4.55,;-6.59,-3.78,)|
O=S(=O)(N1CCc2cc(ccc12)C1CC1NC1CC2(C1)CCNCC2)c1ccccc1
CC1(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CCNCC1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCN(Cc2ccccc2)CC1)c1ccccc1
CC(C)(C)OC(=O)c1ccc(CN2CCC(CNC3CC3c3ccc4N(CCc4c3)S(=O)(=O)c3ccccc3)CC2)cc1
OC(=O)c1ccc(CN2CCC(CNC3CC3c3ccc4N(CCc4c3)S(=O)(=O)c3ccccc3)CC2)cc1
CC(C)(C)OC(=O)N1CCC(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1
O=C(OCc1ccccc1)N1CCC(CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1
O=S(=O)(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc2ccccc2c1
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
Clc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
COc1cccc(c1)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
FC(F)(F)S(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=S(=O)(C1CCCCC1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccccc1
O=C(N1CCc2cc(ccc12)C1CC1NCC1CCNCC1)c1ccc(cc1)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(Cc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
O=C(OCc1ccccc1)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CCCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
COCCC(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CC(C)(C)C(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
CNc1ccc(cc1C=N)-c1ncc2n(CC3CCN(C)CC3)cnc2c1-c1ccc(C#N)c(F)c1
CN1CCC(Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ccc3c2)CC1
CN1C(=O)Cc2cc(ccc12)-c1ncc2n(CC3CCN(C)CC3)cnc2c1-c1ccc(C#N)c(F)c1
CCNc1ccc(cc1C=N)-c1ncc2n(CC3CCN(C)CC3)cnc2c1-c1ccc(C#N)c(F)c1
CN1CCC(Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3sc(C)nc3c2)CC1
CNc1ccc(cc1C=N)-c1ncc2n(CC3CCN(C)CC3)cnc2c1-c1ccc(cc1)C#N
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ccc3c2)CC1
CN1CCC(Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3N(C)CCOc3c2)CC1
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc(cc2)C#N)CC1
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3N(C)CCOc3c2)CC1
CCNc1ccc(cc1C=N)-c1ncc2n(CC3CCN(C)CC3)cnc2c1-c1ccc(cc1)C#N
CN1CCC(Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3nn(C)cc3c2)CC1
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3nn(C)cc3c2)CC1
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3OCOc3c2)CC1
CN1CCC(Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3OCOc3c2)CC1
CNc1ccc(cc1C=N)-c1ncc2n(C[C@H]3CCN(C)C3)cnc2c1-c1ccc(C#N)c(F)c1 |r|
CN1CCOc2cc(ccc12)-c1ncc2n(C[C@H]3CCNC3)cnc2c1-c1ccc(C#N)c(F)c1 |r|
CN1CC[C@H](Cn2cnc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3N(C)CCOc3c2)C1 |r|
CNc1ccc(cc1C=N)-c1ncc2n(CC3CCNCC3)cnc2c1-c1ccc(C#N)c(F)c1
CNc1ccc(cc1C=N)-c1ncc2n(CC3CCNCC3)cnc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)cnc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)cnc2c1-c1ccc(cc1)C#N
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)cnc2c1-c1ccc(C#N)c(F)c1
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCCNCC3)cnc2c1-c1ccc(cc1)C#N
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCNCC3)cnc2c1-c1ccc(C#N)c(F)c1
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCNCC3)cnc2c1-c1ccc(cc1)C#N
Cn1ccc2cc(cnc12)-c1ncc2n(C[C@H]3CCNC3)cnc2c1-c1ccc(C#N)c(F)c1 |r|
Fc1cc(ccc1C#N)-c1c(ncc2n(C[C@H]3CCNC3)cnc12)-c1ccc2OCCOc2c1 |r|
CN1CCOc2ccc(cc12)-c1ncc2n(C[C@H]3CCNC3)cnc2c1-c1ccc(C#N)c(F)c1 |r|
Cn1ncc2cc(ccc12)-c1ncc2n(C[C@H]3CCNC3)cnc2c1-c1ccc(cc1)C#N |r|
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)C1
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCNC3)cnc2c1-c1ccc(cc1)C#N
CN1CCC(Cn2cnc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3N(C)CCOc3c2)C1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](N)C2 |r,TLB:23:25:27.28:32.30|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC(N)CC1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCNCC1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC[C@@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC2CNCC2C1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(CCNC2)CC1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)NC1CC2CCC1N2
Cn1nnc2cc(ccc12)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1C(N)C2 |TLB:24:26:28.29:33.31|
CC(C)(O)Cn1nnc2cc(ccc12)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1C(N)C2 |TLB:28:30:32.33:37.35|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](F)[C@@H](N)C1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](F)[C@@H](N)C1 |r|
COc1ccc(-c2sc(cc2-c2ccc(C#N)c(F)c2)C(=O)N2CCC[C@@H](N)C2)c(F)c1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC2(COCC2N)CC1
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC(C1)N(C)C
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1C
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCC(C1)N(C)C
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N[C@@H]1CCNC1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCNC(C)CC1
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(OCC(O)=O)c(F)c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2[nH]c(=O)oc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccnc(N)c1)-c1ccc(C#N)c(F)c1 |r|
Cn1c2cc(ccc2oc1=O)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CN1Cc2ccc(cc2C1=O)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2OCOc2c1)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCN(CC#N)CC1
CS(=O)(=O)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2C(=O)NCc2c1)-c1ccc(C#N)c(F)c1 |r|
CC(C)S(=O)(=O)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(N)nc1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
Cn1cc(cn1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(OCC(O)CO)c(F)c1)-c1ccc(C#N)c(F)c1 |r|
Cn1cc2cc(cnc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(O)Cn1ncc2cc(ccc12)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(O)Cn1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(O)CN1Cc2cc(ccc2C1=O)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(O)Cn1ncc2cc(cnc12)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2n(CC(O)CO)ncc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(cc2c1)C1CCOCC1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2ncncc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(cc2c1)C1CCOC1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(cc2c1)C1CC(O)C1)-c1ccc(C#N)c(F)c1 |r,wU:1.0,(10.35,-.45,;8.87,-.05,;8.47,1.44,;6.98,1.84,;5.89,.75,;6.29,-.74,;7.78,-1.14,;5.2,-1.83,;5.6,-3.32,;3.71,-1.43,;2.94,-.1,;1.44,-.42,;1.28,-1.95,;2.68,-2.57,;-.06,-2.72,;-.06,-4.26,;-1.39,-5.03,;-2.73,-4.26,;-4.19,-4.73,;-5.1,-3.49,;-4.19,-2.24,;-2.73,-2.72,;-1.39,-1.95,;-6.64,-3.49,;-7.72,-2.4,;-8.81,-3.49,;-10.35,-3.49,;-7.72,-4.58,;.35,.67,;-1.14,.27,;-2.23,1.36,;-1.88,2.95,;-2.96,4.05,;-4.03,5.16,;-.34,3.25,;.06,4.74,;.75,2.16,)|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nccn2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccn2nccc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccn2cncc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(CC3(O)CCC3)cc2c1)-c1ccc(C#N)c(F)c1 |r|
COC1CC(C1)n1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r,wU:35.40,(-10.74,-2.15,;-9.97,-3.49,;-8.43,-3.49,;-7.34,-2.4,;-6.25,-3.49,;-7.34,-4.58,;-4.71,-3.49,;-3.81,-2.24,;-2.34,-2.72,;-1.01,-1.95,;.33,-2.72,;.33,-4.26,;-1.01,-5.03,;-2.34,-4.26,;-3.81,-4.73,;1.66,-1.95,;3.07,-2.57,;4.1,-1.43,;3.33,-.1,;1.82,-.42,;.73,.67,;-.76,.27,;-1.84,1.36,;-1.49,2.95,;-2.57,4.05,;-3.65,5.16,;.04,3.25,;.44,4.74,;1.13,2.16,;5.59,-1.83,;5.98,-3.32,;6.67,-.74,;6.28,.75,;7.36,1.84,;8.85,1.44,;9.25,-.05,;10.74,-.45,;8.16,-1.14,)|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2n(CC3(O)CCC3)nnc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccn2ccnc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1)N1CCC(O)C1)-c1ccc(C#N)c(F)c1 |r|
CC1(O)CC(C1)n1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r,wU:35.40,(-9.58,-2.15,;-8.81,-3.49,;-10.35,-3.49,;-7.72,-4.58,;-6.64,-3.49,;-7.72,-2.4,;-5.1,-3.49,;-4.19,-2.24,;-2.73,-2.72,;-1.39,-1.95,;-.06,-2.72,;-.06,-4.26,;-1.39,-5.03,;-2.73,-4.26,;-4.19,-4.73,;1.28,-1.95,;2.68,-2.57,;3.71,-1.43,;2.94,-.1,;1.44,-.42,;.35,.67,;-1.14,.27,;-2.23,1.36,;-1.88,2.95,;-2.95,4.05,;-4.03,5.16,;-.34,3.25,;.06,4.74,;.75,2.16,;5.2,-1.83,;5.6,-3.32,;6.29,-.74,;5.89,.75,;6.98,1.84,;8.47,1.44,;8.87,-.05,;10.35,-.45,;7.78,-1.14,)|
CC(C)(CO)n1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(cc2c1)[C@H]1COCC[C@@H]1O)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(CC3(O)CC3)cc2c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2n(nnc2c1)[C@H]1COCC[C@@H]1O)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1nnc2cc(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3CCC[C@@H](N)C3)c(F)c(F)c12 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2nnn(CC3(O)CCC3)c2c(F)c1F)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2cn(CC3(O)CC3)nc2cc1F)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2cn(nc2cc1F)[C@H]1COCC[C@@H]1O)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2cn(CC3(O)CCC3)nc2cc1F)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(N2CC[C@H](O)C2)c(F)c1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2nnn([C@H]3COCC[C@@H]3O)c2c(F)c1F)-c1ccc(C#N)c(F)c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1cc2nnn(CC(C)(C)O)c2c(F)c1F)-c1ccc(C#N)c(F)c1 |r|
CC(C)(CO)n1nnc2cc(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3CCC[C@@H](N)C3)c(F)c(F)c12 |r|
OC1(Cn2nnc3cc(-c4sc(cc4-c4ccc(C#N)c(F)c4)C(=O)N4CCCNCC4)c(F)c(F)c23)CCC1
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(N2CC[C@@H](O)C2)c(F)c1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(CO)n1cc2cc(ccc2n1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1
CC(C)(CO)n1nnc2cc(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3CCCNCC3)c(F)c(F)c12
CN[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2nn(cc2c1)C(C)(C)CO)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1)N1CC[C@H](O)C1)-c1ccc(C#N)c(F)c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1)N1CC[C@@H](O)C1)-c1ccc(C#N)c(F)c1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1)N1CC[C@@H](O)C1)-c1ccc(C#N)c(F)c1 |r|
CC(C)(O)Cn1nnc2cc(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3CCCNCC3)c(F)c(F)c12
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1F)N1CC[C@@H](O)C1)-c1ccc(C#N)c(F)c1 |r|
O[C@H]1CCN(C1)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1 |r|
O[C@@H]1CCN(C1)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCCNCC1 |r|
CC1(O)CN(C1)c1ccc(cc1)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)(O)CNc1ccc(cc1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(NCC2(O)CCC2)c(F)c1)-c1ccc(C#N)c(F)c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc2n(CC(C)(C)O)nnc2c1)-c1ccc(C#N)c(F)c1 |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(c(s1)-c1ccc(cc1)N1CC(C)(O)C1)-c1ccc(C#N)c(F)c1 |r|
Cn1nc2ccc(cc2c1F)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@H]1CCC(CC1)c1nc(no1)C1(CN[C@@H]2CC2c2ccccc2)CC1 |r,wU:15.16,1.0,(13.64,.47,;12.1,.47,;11.33,-.86,;9.79,-.86,;9.02,.47,;9.79,1.8,;11.33,1.8,;7.48,.47,;6.57,-.78,;5.11,-.3,;5.11,1.24,;6.57,1.72,;3.86,-1.2,;3.09,.13,;1.55,.13,;.65,1.37,;-.5,2.41,;-1.12,1,;-2.46,.23,;-3.79,1,;-5.13,.23,;-5.13,-1.31,;-3.79,-2.08,;-2.46,-1.31,;3.09,-2.54,;4.89,-2.35,)|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccccc1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
Cc1ccc(cc1)-c1c(cc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(cc2c(nncn12)C1CCC[C@@H](N)C1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1c(nc2c(nccn12)N1CCC[C@@H](N)C1)-c1ccc(cc1)C#N |r|
Cc1ccc(-c2sc(cc2-c2ccc(C#N)c(F)c2)C(=O)N2C3CCC2CC(N)C3)c(F)c1
CCCCCc1noc2cc(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc3c4sc(cc4c4cc(F)c(cc4c3cc12)C#N)C(=O)N1C2CCC1CC(N)C2
Cc1ccc(cc1)-c1c(cc2c(cccn12)N1CCC[C@@H](N)C1)-c1ccc(cc1)C#N |r|
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
C[C@@]12CCC(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(c(F)cc13)-c1nc(O)nc3cccc(C#C)c13)N2 |r,wU:19.21,1.0,wD:13.13,1.1,3.3,(-2.75,-12.42,;-1.42,-13.19,;-.63,-14.11,;.53,-14.11,;1.25,-13.19,;1.25,-14.73,;-.08,-15.5,;-1.42,-14.73,;-.08,-17.04,;1.25,-17.81,;1.25,-19.35,;2.58,-20.12,;3.92,-19.35,;5.25,-20.12,;4,-21.02,;4.48,-22.49,;6.02,-22.49,;6.5,-21.02,;7.74,-20.12,;7.27,-18.65,;8.04,-17.32,;5.73,-18.65,;-.08,-20.12,;-1.42,-19.35,;-2.75,-20.12,;-2.75,-21.66,;-4.09,-19.35,;-4.09,-17.81,;-5.42,-17.04,;-2.75,-17.04,;-1.42,-17.81,;-5.42,-20.12,;-6.75,-19.35,;-8.09,-20.12,;-9.42,-19.35,;-8.09,-21.66,;-6.75,-22.43,;-6.75,-23.97,;-5.42,-24.74,;-4.09,-23.97,;-4.09,-22.43,;-2.6,-22.83,;-1.11,-23.22,;-5.42,-21.66,;-.08,-12.42,)|
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1C2CCC1CC(N)C2
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCN(C)CC1
CNC1CCCN(C1)c1cc(O)c(-c2ccc(OC)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccn3ccnc3c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccc(OC(F)(F)F)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccc3oc(=O)[nH]c3c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccc3BN=C(Cl)c3c2)c(n1)-c1ccc(C#N)c(F)c1 |t:18|
NC1CCN(CC1)c1cc(O)c(-c2ccc(cc2)N2CCOCC2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cn1)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1C2CCC1CC(N)C2 |(6.61,5.21,;6.13,3.74,;7.04,2.49,;6.13,1.25,;4.67,1.72,;3.33,.95,;2,1.72,;2,3.26,;.67,4.03,;3.33,4.03,;4.67,3.26,;.67,.95,;-.67,1.72,;-.67,3.26,;-2,.95,;-2,-.59,;-.67,-1.36,;.67,-.59,;2,-1.36,;3.33,-.59,;4.67,-1.36,;4.67,-2.9,;6,-3.67,;7.34,-4.44,;3.33,-3.67,;3.33,-5.21,;2,-2.9,;-3.33,-1.36,;-4.67,-.59,;-5.44,-1.92,;-3.95,-2.32,;-3.33,-2.9,;-4.67,-3.67,;-6,-2.9,;-7.34,-3.67,;-6,-1.36,)|
CC(C)(O)C#Cc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(6.61,5.21,;6.13,3.74,;7.04,2.49,;6.13,1.25,;4.67,1.72,;3.33,.95,;2,1.72,;2,3.26,;.67,4.03,;3.33,4.03,;4.67,3.26,;.67,.95,;-.67,1.72,;-.67,3.26,;-2,.95,;-2,-.59,;-.67,-1.36,;.67,-.59,;2,-1.36,;3.33,-.59,;4.67,-1.36,;4.67,-2.9,;6,-3.67,;7.34,-4.44,;3.33,-3.67,;3.33,-5.21,;2,-2.9,;-3.33,-1.36,;-4.67,-.59,;-6,-1.36,;-6,-2.9,;-7.34,-3.67,;-4.67,-3.67,;-3.33,-2.9,)|
COc1ccc(cc1F)C#Cc1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CC(C)(O)Cn1ncc2cc(F)c(cc12)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(8,1.19,;6.97,.05,;7.45,-1.42,;8.48,-.27,;5.47,.37,;4.99,1.83,;5.89,3.08,;4.99,4.33,;3.53,3.85,;2.19,4.62,;.86,3.85,;-.48,4.62,;.86,2.31,;2.19,1.54,;3.53,2.31,;-.48,1.54,;-1.81,2.31,;-1.81,3.85,;-3.14,1.54,;-3.14,,;-1.81,-.77,;-.48,,;.86,-.77,;2.19,,;3.53,-.77,;3.53,-2.31,;4.86,-3.08,;6.19,-3.85,;2.19,-3.08,;2.19,-4.62,;.86,-2.31,;-4.48,-.77,;-5.81,,;-7.14,-.77,;-7.14,-2.31,;-8.48,-3.08,;-5.81,-3.08,;-4.48,-2.31,)|
NC1CCN(CC1)c1cc(O)c(-c2ccc(OC(F)(F)F)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccc3OC(F)(F)Oc3c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC[C@@H](N)C1 |r|
CC(C)(O)Cc1ccc(c(F)c1)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(8,4.62,;6.67,3.85,;6.67,2.31,;8,3.08,;5.33,4.62,;4,3.85,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;,4.62,;2.67,4.62,;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,1.54,;-2.67,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;6.67,-3.85,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,;-4,-.77,;-5.33,,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,;-5.33,-3.08,;-4,-2.31,)|
COc1ccc(cc1OC)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(c(F)c1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(7.34,3.08,;6,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;2,1.54,;2,3.08,;.67,3.85,;3.33,3.85,;3.33,5.39,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-4.62,;3.33,-3.85,;3.33,-5.39,;2,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-7.34,-3.85,;-4.67,-3.85,;-3.33,-3.08,)|
COc1ccc(c(F)c1)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(7.34,3.85,;6,4.62,;4.67,3.85,;4.67,2.31,;3.33,1.54,;2,2.31,;2,3.85,;.67,4.62,;3.33,4.62,;.67,1.54,;-.67,2.31,;-.67,3.85,;-2,1.54,;-2,,;-.67,-.77,;.67,,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-3.85,;3.33,-3.08,;3.33,-4.62,;2,-2.31,;-3.33,-.77,;-4.67,,;-6,-.77,;-6,-2.31,;-7.34,-3.08,;-4.67,-3.08,;-3.33,-2.31,)|
COc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1C2CCC1CC(N)C2
CC(C)(O)COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CC(C)(O)Cc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(O)cc(NC2CCNCC2)nc1-c1ccc(C#N)c(F)c1
COc1cc(F)c(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(7.34,3.85,;6,4.62,;4.67,3.85,;3.33,4.62,;2,3.85,;.67,4.62,;2,2.31,;3.33,1.54,;4.67,2.31,;6,1.54,;.67,1.54,;-.67,2.31,;-.67,3.85,;-2,1.54,;-2,,;-.67,-.77,;.67,,;2,-.77,;3.33,,;4.67,-.77,;4.67,-2.31,;6,-3.08,;7.34,-3.85,;3.33,-3.08,;3.33,-4.62,;2,-2.31,;-3.33,-.77,;-4.67,,;-6,-.77,;-6,-2.31,;-7.34,-3.08,;-4.67,-3.08,;-3.33,-2.31,)|
NC1CCN(CC1)c1cc(O)c(-c2ccc(O)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1N)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(CC1)NCC(C)(C)O
NC1CCN(CC1)c1cc(O)c(-c2cc(O)c(F)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1C#N)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
NC1CCN(CC1)c1cc(O)c(-c2ccc(C#N)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COCCNC1CCN(CC1)c1cc(O)c(-c2ccc(OC)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(C)(N)CC1
CO[C@@H]1CN(CC[C@H]1N)c1cc(O)c(-c2ccc(OC)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CC2CNCC2C1
CNC1CCN(CC1)c1cc(O)c(-c2ccc(OC)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(CC1)N(C)C
NC1CCN(CC1)c1cc(O)c(-c2ccc(F)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1cc(O)c(-c2ccc(Cl)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CN(CCCN)c1cc(O)c(-c2ccc(Cl)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N(C)CCCN
CN(CCCN)c1cc(O)c(-c2ccc(C)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(Nc2c(O)cc(nc2-c2ccc(C#N)c(F)c2)N2CCC(N)CC2)cc1F
Cc1ccc(cc1O)-c1c(O)c(C)c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1ncc(-c2ccc(c(O)c2)C(F)(F)F)c(-c2ccc(C#N)c(F)c2)c1C#N
Cc1noc2cc(c(F)cc12)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
Cc1ccc(cc1F)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CC3CC2CC3N)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CC3CCC(C2)C3N)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2C3CCCC2CC(N)C3)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CC3CCC2CC3N)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CCC(N)C(F)C2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CCC[C@@H](N)C2)c(C#N)c1-c1ccc(C#N)c(F)c1 |r|
CNC1CCN(CC1)c1ncc(-c2ccc(OC)c(O)c2)c(-c2ccc(C#N)c(F)c2)c1C#N
COc1ccc(cc1O)-c1cnc(N2CCC(C)(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2C3CCC2CC(N)C3)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CC(N)C2)c(C#N)c1-c1ccc(C#N)c(F)c1
Cn1ccc(cc1=O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
Cn1cc2cc(ccc2n1)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1ncc(-c2ccc(N3CCOCC3)c(O)c2)c(-c2ccc(C#N)c(F)c2)c1C#N
CC(C)(O)COc1ccc(cc1O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(OCc2ccccc2)c(C#N)c(nc1-c1ccc(C#N)c(F)c1)N1C2CCC1CC(N)C2 |(6.61,3.48,;6.13,2.02,;7.04,.77,;6.13,-.48,;4.67,0,;3.33,-.77,;2,0,;2,1.54,;.67,2.31,;3.33,2.31,;4.67,1.54,;.67,-.77,;-.68,.04,;-.66,1.58,;-1.98,2.37,;-1.97,3.91,;-3.29,4.69,;-3.28,6.23,;-1.93,6.99,;-.61,6.2,;-.63,4.66,;-2.03,-.74,;-3.38,.02,;-4.72,.77,;-2,-2.31,;-.67,-3.08,;.67,-2.31,;2,-3.08,;3.33,-2.31,;4.67,-3.08,;4.67,-4.62,;6,-5.39,;7.34,-6.16,;3.33,-5.39,;3.33,-6.93,;2,-4.62,;-3.33,-3.08,;-4.67,-2.31,;-5.44,-3.64,;-3.95,-4.04,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-7.34,-5.39,;-6,-3.08,)|
COc1ccc(cc1O)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1cc2onc(C)c2cc1F)N1CCC(N)CC1 |(-2,4.03,;-.67,3.26,;-.67,1.72,;-2,.95,;-2,-.59,;-.67,-1.36,;.67,-.59,;2,-1.36,;3.33,-.59,;4.67,-1.36,;4.67,-2.9,;6,-3.67,;7.34,-4.44,;3.33,-3.67,;3.33,-5.21,;2,-2.9,;.67,.95,;2,1.72,;3.33,.95,;4.67,1.72,;6.13,1.25,;7.04,2.49,;6.13,3.74,;6.61,5.21,;4.67,3.26,;3.33,4.03,;2,3.26,;.67,4.03,;-3.33,-1.36,;-4.67,-.59,;-6,-1.36,;-6,-2.9,;-7.34,-3.67,;-4.67,-3.67,;-3.33,-2.9,)|
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(F)c(O)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1cc(O)c(F)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1C#N)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(C)c(O)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCNCC1
COc1cc(ccc1O)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(Cl)c(O)c1)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(c(O)c1)C(F)(F)F)N1CCC(N)CC1
COc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(C)c(O)c1)N1CCN(C)CC1
COc1ccc(cc1O)-c1c(OC)c(C)c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1cc(nc(-c2ccc(C#N)c(F)c2)c1OC)N1CCC(N)CC1
CCOc1cc(nc(-c2ccc(C#N)c(F)c2)c1-c1ccc(OC)c(O)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OC2CCCC2)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OC(F)F)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OCC2CCC2)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OCC2CC2)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OCC2COC2)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1F)-c1c(nc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1)C(N)=O
CNC1CCCN(C1)c1nc(OC)c(-c2ccc(OC)c(O)c2)c(n1)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-6.61,-5.21,;-6.13,-3.74,;-7.04,-2.49,;-6.13,-1.25,;-4.67,-1.72,;-3.33,-.95,;-2,-1.72,;-2,-3.26,;-.67,-4.03,;-3.33,-4.03,;-4.67,-3.26,;-.67,-.95,;-.67,.59,;.67,1.36,;2,.59,;3.33,1.36,;3.33,2.9,;4.75,2.79,;5.3,1.84,;4.67,.59,;6,1.36,;6,2.9,;7.34,3.67,;4.67,3.67,;2,-.95,;3.14,-1.99,;2.52,-3.39,;.99,-3.23,;.67,-1.72,;-2,1.36,;-3.33,.59,;-4.67,1.36,;-4.73,2.97,;-6.05,3.76,;-7.37,4.55,;-3.33,3.67,;-3.33,5.21,;-2,2.9,)|
CNC1CCCN(C1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(F)c2)c2nccn12
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)C#Cc1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3[nH]nc(Cl)c3c2)c2nccn12
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.73,;-5.81,-4.05,;-5.19,-5.45,;-3.65,-5.29,;-3.33,-3.79,;-2,-3.02,;-2,-1.48,;-3.33,-.71,;-4.42,.38,;-4.67,-1.48,;-4.67,-3.02,;-.67,-.71,;-.67,.83,;.67,1.6,;2,.83,;3.33,1.6,;3.33,3.14,;4.67,3.91,;6,3.14,;7.34,3.91,;6,1.6,;4.67,.83,;2,-.71,;3.14,-1.74,;2.52,-3.14,;.99,-2.98,;.67,-1.48,;-2,1.6,;-3.33,.83,;-4.67,1.6,;-4.73,3.22,;-6.05,4.01,;-7.37,4.8,;-3.33,3.91,;-3.33,5.45,;-2,3.14,)|
CC(C)(O)C#Cc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
CC(C)(O)Cn1ncc2cc(F)c(cc12)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-8,-1.19,;-6.97,-.05,;-7.45,1.42,;-8.48,.27,;-5.47,-.37,;-4.99,-1.83,;-5.89,-3.08,;-4.99,-4.33,;-3.53,-3.85,;-2.19,-4.62,;-.86,-3.85,;.48,-4.62,;-.86,-2.31,;-2.19,-1.54,;-3.53,-2.31,;.48,-1.54,;.48,,;1.81,.77,;3.14,,;4.48,.77,;4.48,2.31,;5.81,3.08,;7.14,2.31,;8.48,3.08,;7.14,.77,;5.81,,;3.14,-1.54,;4.29,-2.57,;3.66,-3.98,;2.13,-3.82,;1.81,-2.31,;-.86,.77,;-2.19,,;-3.53,.77,;-3.58,2.39,;-4.91,3.18,;-6.23,3.97,;-2.19,3.08,;-2.19,4.62,;-.86,2.31,)|
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)N2CCOCC2)c2nccn12
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3oc(=O)[nH]c3c2)c2nccn12
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC(F)(F)F)c(F)c2)c2nccn12
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccn3ccnc3c2)c2nccn12
CC(C)(O)Cc1ccc(c(F)c1)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-8,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-8,-2.31,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;,-.77,;,.77,;1.33,1.54,;2.67,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;8,3.85,;6.67,1.54,;5.33,.77,;2.67,-.77,;3.81,-1.8,;3.19,-3.21,;1.65,-3.05,;1.33,-1.54,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;-4.1,3.09,;-5.44,3.84,;-6.79,4.59,;-4,1.54,;-5.33,.77,;-2.67,.77,)|
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC(F)(F)F)c(O)c2)c2nccn12
CC(C)(O)Cc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1C#N)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(O)c2)c2nccn12
CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(O)c2)c2nccn12
COc1ccc(cc1O)-c1c(nc(N2CCC[C@@H](N)C2)n2ccnc12)-c1ccc(C#N)c(F)c1 |r|
COc1ccc(cc1O)-c1c(nc(N2CCC(CC2)N(C)C)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1cc(ccc1O)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(Cl)c(O)c2)c2nccn12
COc1ccc(cc1O)-c1c(nc(N2CCC(C)(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N(C)CCCN)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CCC(C)(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1
CN(CCCN)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)c(O)c2)c2nccn12
CC1(N)CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(O)c2)c2nccn12
CN(CCCN)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(O)c2)c2nccn12
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(C)(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-7.33,-3.73,;-5.82,-4.05,;-5.19,-5.45,;-3.66,-5.29,;-3.34,-3.79,;-2.01,-3.02,;-2.01,-1.48,;-3.34,-.71,;-4.43,.38,;-4.68,-1.48,;-4.68,-3.02,;-.68,-.71,;-.68,.83,;.66,1.6,;1.99,.83,;3.33,1.6,;4.66,.83,;5.99,1.6,;5.99,3.14,;5.99,4.68,;7.33,3.91,;4.66,3.91,;3.33,3.14,;1.99,-.71,;3.14,-1.74,;2.51,-3.14,;.98,-2.98,;.66,-1.48,;-2.01,1.6,;-3.34,.83,;-4.68,1.6,;-4.78,3.16,;-6.12,3.91,;-7.46,4.67,;-3.34,3.91,;-3.34,5.45,;-2.01,3.14,)|
CN(CCCN)c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3onc(C)c3cc2F)c2nccn12 |(2.66,3.14,;2.66,1.6,;3.99,.83,;5.33,1.6,;6.66,.83,;7.99,1.6,;1.33,.83,;-.01,1.6,;-1.34,.83,;-2.68,1.6,;-4.01,.83,;-5.34,1.6,;-5.45,3.17,;-6.8,3.92,;-8.14,4.67,;-4.01,3.91,;-4.01,5.45,;-2.68,3.14,;-1.34,-.71,;-2.68,-1.48,;-2.68,-3.02,;-4.01,-3.79,;-4.33,-5.29,;-5.86,-5.45,;-6.49,-4.05,;-7.99,-3.73,;-5.34,-3.02,;-5.34,-1.48,;-4.01,-.71,;-5.1,.38,;-.01,-1.48,;.31,-2.98,;1.84,-3.14,;2.47,-1.74,;1.33,-.71,)|
CC1(N)CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC(F)(F)F)c(O)c2)c2nccn12
CN(CCCN)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC(F)(F)F)c(O)c2)c2nccn12
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(c(O)c2)C(F)(F)F)c2nccn12
COc1ccc(cc1O)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(O)c2)c2nccn12
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(Cl)c(O)c2)c2nccn12
Cc1ccc(cc1O)-c1c(nc(N2CC3CCC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CC3CC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CC3CCC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC3CCC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CC3CC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CC3CC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CC3CC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CC3CCC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC3CC(C2)C3N)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1O)-c1c(nc(N2CC3CCC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC3CC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC3CCC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3NCCc3cc2F)c2nccn12 |(7.34,3.33,;6,2.56,;6,1.02,;4.67,.25,;5.44,1.59,;3.95,1.98,;3.33,2.56,;4.67,3.33,;3.33,1.02,;2,.25,;.67,1.02,;-.67,.25,;-2,1.02,;-3.33,.25,;-4.67,1.02,;-4.73,2.64,;-6.05,3.43,;-7.37,4.22,;-3.33,3.33,;-3.33,4.87,;-2,2.56,;-.67,-1.29,;-2,-2.06,;-3.46,-1.58,;-4.61,-2.6,;-6.14,-2.43,;-6.78,-3.84,;-5.64,-4.87,;-4.3,-4.11,;-2.84,-4.59,;-1.69,-3.57,;-.22,-4.05,;.67,-2.06,;.99,-3.56,;2.52,-3.72,;3.14,-2.32,;2,-1.29,)|
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3nc[nH]c3cc2F)c2nccn12 |(7.34,3.33,;6,2.56,;6,1.02,;4.67,.25,;5.44,1.59,;3.95,1.98,;3.33,2.56,;4.67,3.33,;3.33,1.02,;2,.25,;.67,1.02,;-.67,.25,;-2,1.02,;-3.33,.25,;-4.67,1.02,;-4.73,2.64,;-6.05,3.43,;-7.37,4.22,;-3.33,3.33,;-3.33,4.87,;-2,2.56,;-.67,-1.29,;-2,-2.06,;-3.46,-1.58,;-4.61,-2.6,;-6.14,-2.43,;-6.78,-3.84,;-5.64,-4.87,;-4.3,-4.11,;-2.84,-4.59,;-1.69,-3.57,;-.22,-4.05,;.67,-2.06,;.99,-3.56,;2.52,-3.72,;3.14,-2.32,;2,-1.29,)|
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3[nH]ncc3cc2F)c2nccn12 |(7.34,3.08,;6,2.31,;4.67,3.08,;3.33,2.31,;4.87,2.31,;5.44,1.33,;4.67,,;6,.77,;3.33,.77,;2,,;.67,.77,;-.67,,;-2,.77,;-3.33,,;-4.67,.77,;-4.73,2.39,;-6.05,3.18,;-7.37,3.97,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6.13,-1.83,;-7.04,-3.08,;-6.13,-4.33,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-.67,-4.62,;.67,-2.31,;.99,-3.82,;2.52,-3.98,;3.14,-2.57,;2,-1.54,)|
Cn1ccc2cc(F)c(cc12)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-6.61,-.37,;-6.13,-1.83,;-7.04,-3.08,;-6.13,-4.33,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-.67,-4.62,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-.67,-1.54,;-.67,,;.67,.77,;2,,;3.33,.77,;3.33,2.31,;4.87,2.31,;5.44,1.33,;4.67,,;6,.77,;6,2.31,;7.34,3.08,;4.67,3.08,;2,-1.54,;3.14,-2.57,;2.52,-3.98,;.99,-3.82,;.67,-2.31,;-2,.77,;-3.33,,;-4.67,.77,;-4.73,2.39,;-6.05,3.18,;-7.37,3.97,;-3.33,3.08,;-3.33,4.62,;-2,2.31,)|
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3OCOc3cc2F)c2nccn12 |(7.34,3.33,;6,2.56,;6,1.02,;4.67,.25,;5.44,1.59,;3.95,1.98,;3.33,2.56,;4.67,3.33,;3.33,1.02,;2,.25,;.67,1.02,;-.67,.25,;-2,1.02,;-3.33,.25,;-4.67,1.02,;-4.73,2.64,;-6.05,3.43,;-7.37,4.22,;-3.33,3.33,;-3.33,4.87,;-2,2.56,;-.67,-1.29,;-2,-2.06,;-3.46,-1.58,;-4.61,-2.6,;-6.14,-2.43,;-6.78,-3.84,;-5.64,-4.87,;-4.3,-4.11,;-2.84,-4.59,;-1.69,-3.57,;-.22,-4.05,;.67,-2.06,;.99,-3.56,;2.52,-3.72,;3.14,-2.32,;2,-1.29,)|
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(nc1)C#N
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(cc1)C#N
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)C1CCC(CC1)C#N |(-7.34,-2.69,;-6,-3.46,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-.38,;-2,-1.16,;-2,-2.69,;-3.33,-3.46,;-3.33,-5,;-.67,-.39,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;3.33,3.46,;4.87,3.46,;5.44,2.49,;4.67,1.15,;6,1.92,;6,3.46,;7.34,4.23,;4.67,4.23,;2,-.39,;3.14,-1.42,;2.52,-2.82,;.99,-2.66,;.67,-1.16,;-2,1.92,;-3.33,1.15,;-4.67,1.92,;-4.67,3.46,;-3.33,4.23,;-2,3.46,;-6,4.23,;-7.34,5,)|
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1cnc(nc1)C#N
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(c1)C#N
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1F
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(C)c1
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(O)c1
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3nonc3cc2F)c2nccn12 |(7.34,3.33,;6,2.56,;6,1.02,;4.67,.25,;5.44,1.59,;3.95,1.98,;3.33,2.56,;4.67,3.33,;3.33,1.02,;2,.25,;.67,1.02,;-.67,.25,;-2,1.02,;-3.33,.25,;-4.67,1.02,;-4.73,2.64,;-6.05,3.43,;-7.37,4.22,;-3.33,3.33,;-3.33,4.87,;-2,2.56,;-.67,-1.29,;-2,-2.06,;-3.46,-1.58,;-4.61,-2.6,;-6.14,-2.43,;-6.78,-3.84,;-5.64,-4.87,;-4.3,-4.11,;-2.84,-4.59,;-1.69,-3.57,;-.22,-4.05,;.67,-2.06,;.99,-3.56,;2.52,-3.72,;3.14,-2.32,;2,-1.29,)|
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)n2c(C)cnc12)-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1c(cc2c(nccn12)N1CC(N)C1)-c1ccc(cc1)C#N
CN[C@@H]1CCCN(C1)c1nccn2c(c(cc12)-c1ccc(cc1)C#N)-c1ccc(C)cc1 |r|
CN1CCN(CC1)c1nccn2c(c(cc12)-c1ccc(cc1)C#N)-c1ccc(C)cc1
Cc1ccc(cc1)-c1c(cc2c(nccn12)N1CCCCC1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(cc2c(nccn12)N1CCC(N)C1)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1c(cc2c(nccn12)N1CCC(N)CC1)-c1ccc(cc1)C#N
CN1CCN(CC1)c1nncn2c(c(cc12)-c1ccc(cc1)C#N)-c1ccc(C)cc1
Cc1ccc(cc1)-c1c(cc2c(nncn12)N1CCC(N)CC1)-c1ccc(cc1)C#N
CNC1CCCN(C1)c1ccnn2c(c(cc12)-c1ccc(cc1)C#N)-c1ccc(C)cc1
Cc1ccc(cc1)-c1c(cc2c(ccnn12)N1CCC(N)CC1)-c1ccc(cc1)C#N
Cc1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1ccc2cc[nH]c2c1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1ccccn1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1ccncn1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1ccc2cn[nH]c2c1)-c1ccc(C#N)c(F)c1
Cc1noc2cc(-c3sc(cc3-c3ccncc3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3ccc4cn[nH]c4c3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3cncnc3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3ccccc3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3cccnc3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2c(-c3sc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3C4CCC3CC(N)C4)c(F)ccc12 |(-1.92,-6.19,;-1.24,-4.81,;.28,-4.54,;.49,-3.02,;-.89,-2.34,;-1.32,-.86,;-.24,.25,;1.28,.03,;1.96,1.42,;.85,2.49,;-.51,1.77,;-1.89,2.44,;-3.17,1.58,;-4.56,2.26,;-4.74,3.87,;-6.12,4.57,;-7.49,5.26,;-3.38,4.65,;-3.49,6.19,;-2,3.98,;3.47,1.68,;4,3.13,;4.46,.5,;5.98,.77,;4.97,-.39,;5.93,-1.4,;3.93,-.94,;4.92,-2.12,;6.44,-1.86,;7.43,-3.04,;6.97,-.41,;-2.81,-.48,;-3.9,.6,;-3.88,-1.59,;-3.46,-3.07,;-1.96,-3.45,)|
Cc1noc2cc(-c3sc(cc3-c3ccccn3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3ncccn3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3ccc(cc3)S(N)(=O)=O)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(cc3-c3ccc(cc3)S(C)(=O)=O)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1ccc2oc(=O)[nH]c2c1)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1cc2n(CC#N)ncc2cc1F)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2C(=O)c1cc(c(s1)-c1cc2[nH]nnc2cc1F)-c1ccc(C#N)c(F)c1
CC(C)(O)Cn1ncc2cc(F)c(cc12)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2
COc1ccc(cc1O)-c1sc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2
Cc1noc2cc(-c3oc(cc3-c3ccc(C#N)c(F)c3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
Cc1noc2cc(-c3sc(nc3-c3ccc(C#N)c(F)c3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
NC1CC2CCC(C1)N2C(=O)c1nc(c(s1)-c1cc2n(CC#N)ncc2cc1F)-c1ccc(C#N)c(F)c1
Cc1noc2cc(-c3oc(nc3-c3ccc(C#N)c(F)c3)C(=O)N3C4CCC3CC(N)C4)c(F)cc12
COc1ccc(cc1O)-c1sc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
COc1ccc(cc1F)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-c1ccn[nH]1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1ccnn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1cccn1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1cccn1)C(=O)N1CCC(F)(F)CC1 |r|
COC(=O)C1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccn2ccnc2c1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1cccn1)C(=O)NC1CCOCC1 |r|
OC(=O)C1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
Cc1noc2cc(c(F)cc12)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
Cc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)NC1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccccc1)C(=O)NC1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(F)c(O)c1 |r|
CC1CN(CC(C)N1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1cccnc1)C(=O)N1CCOCC1 |r|
COc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1ccnn1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)N1CCOCC1)C(=O)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)N1CCOCC1)C(=O)N1CCOCC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)N1CCOCC1)C(=O)NC1CCOCC1 |r|
COc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1ccnn1)C(=O)N1CCC(F)(F)CC1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCc1cc(nc(n1)-c1ccc(cc1)-n1ccnn1)C(=O)NC1CCOCC1 |r|
COc1ccc(cc1F)C1CC1NCc1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CS(=O)(=O)N1CCN(CC1)c1cc(OCCN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(c1)-c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CCNC2C[C@H]2c2ccc(F)cc2)nc(c1)-c1ccc(cc1)-n1cccn1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CCN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)-c1ccc(cc1)-n1cccn1 |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
Fc1ccc(cc1)[C@@H]1C[C@H]1NCCCc1cc(nc(n1)-c1ccc(cc1)C#N)C(=O)N1CCC(F)(F)CC1 |r|
CS(=O)(=O)N1CCN(CC1)c1nc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)c1cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nn(-c2ccc(cc2)C#N)c1=O |r|
CS(=O)(=O)N1CCN(CC1)c1cc(CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CCCCN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)-n1cccn1 |r|
CN1CCN(CC1)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
CS(=O)(=O)N1CCN(CC1)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)N1CCOCC1 |r|
Cc1ccc(cc1C)-c1c(O)cc(cc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(OC)cc(cc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)c2ccoc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)c2nc[nH]c12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)c2nc[nH]c12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)c2nc[nH]c12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.73,;-5.81,-4.05,;-5.19,-5.45,;-3.65,-5.29,;-3.33,-3.79,;-2,-3.02,;-2,-1.48,;-3.33,-.71,;-4.67,.06,;-4.67,-1.48,;-4.67,-3.02,;-.67,-.71,;-.67,.83,;.67,1.6,;2,.83,;3.33,1.6,;4.67,.83,;6,1.6,;6,3.14,;7.34,3.91,;4.67,3.91,;3.33,3.14,;2,-.71,;3.14,-1.74,;2.52,-3.14,;.99,-2.98,;.67,-1.48,;-2,1.6,;-3.33,.83,;-4.67,1.6,;-4.73,3.22,;-6.06,4.01,;-7.38,4.8,;-3.33,3.91,;-3.33,5.45,;-2,3.14,)|
COc1ccc(cc1O)-c1c(cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1)C#N
COc1ccc(cc1O)-c1nc(cc(C#N)c1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1)C#N |(-7.33,-1.1,;-5.82,-1.42,;-5.19,-2.82,;-3.66,-2.66,;-3.34,-1.15,;-2.01,-.38,;-2.01,1.15,;-3.34,1.93,;-3.34,3.47,;-4.68,1.15,;-4.68,-.38,;-.68,1.93,;-.72,3.49,;.66,4.23,;1.99,3.47,;1.99,1.93,;.66,1.15,;.66,-.38,;-.68,-1.15,;-.68,-2.69,;.66,-3.52,;.66,-5.06,;.66,-6.6,;1.99,-2.69,;3.33,-3.47,;1.99,-1.15,;3.33,4.23,;4.66,3.47,;5.99,4.23,;5.99,5.78,;7.33,6.54,;4.66,6.54,;3.33,5.78,;-2.06,4.26,;-3.39,5.03,)|
COc1ccc(cc1O)-c1c(C)nc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(C)nc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1 |(-7.33,-1.1,;-5.82,-1.42,;-5.19,-2.82,;-3.66,-2.66,;-3.34,-1.15,;-2.01,-.38,;-2.01,1.15,;-3.34,1.93,;-3.34,3.47,;-4.68,1.15,;-4.68,-.38,;-.68,1.93,;-.68,3.47,;-2.01,4.23,;.66,4.23,;1.99,3.47,;3.33,4.23,;4.66,3.47,;5.99,4.23,;5.99,5.78,;7.33,6.54,;4.66,6.54,;3.33,5.78,;2.04,1.9,;3.37,1.13,;4.71,.36,;.66,1.15,;.66,-.38,;-.68,-1.15,;-.68,-2.69,;.66,-3.52,;.66,-5.06,;.66,-6.6,;1.99,-2.69,;3.33,-3.47,;1.99,-1.15,)|
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)c2ncoc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)c2ncoc12)-c1ccc(C#N)c(F)c1 |(-6.61,-4.82,;-6.13,-3.36,;-7.04,-2.11,;-6.13,-.86,;-4.67,-1.34,;-3.33,-.57,;-2,-1.34,;-2,-2.88,;-.67,-3.65,;-3.33,-3.65,;-4.67,-2.88,;-.67,-.57,;-.67,.97,;.67,1.74,;2,.97,;3.33,1.74,;4.67,.97,;6,1.74,;6,3.28,;7.34,4.05,;4.67,4.05,;3.33,3.28,;2,-.57,;3.14,-1.6,;2.52,-3.01,;.99,-2.85,;.67,-1.34,;-2,1.74,;-2,3.28,;-3.33,4.05,;-4.72,3.31,;-6.05,4.08,;-7.38,4.85,;-4.67,1.74,;-6,.97,;-3.33,.97,)|
COc1ccc(cc1O)-c1c2OCC(=O)Nc2c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c2OCC(=O)Nc2c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1 |(6.61,-5.21,;6.13,-3.74,;7.04,-2.49,;6.13,-1.25,;4.67,-1.72,;3.33,-.95,;2,-1.72,;2,-3.26,;.67,-4.03,;3.33,-4.03,;4.67,-3.26,;.67,-.95,;-.67,-1.72,;-.67,-3.26,;-2,-4.03,;-3.33,-3.26,;-4.67,-4.03,;-3.33,-1.72,;-2,-.95,;-2,.59,;-.67,1.36,;.67,.59,;2,1.36,;3.33,.59,;4.67,1.36,;4.72,2.92,;6.05,3.69,;7.38,4.46,;3.33,3.67,;3.33,5.21,;2,2.9,;-3.33,1.36,;-4.67,.59,;-6,1.36,;-6,2.9,;-7.34,3.67,;-4.67,3.67,;-3.33,2.9,)|
Cc1noc2cc(c(F)cc12)-c1cc(C#N)c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)c2n(C)ncc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)c2n(C)ncc12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.34,;-5.81,-3.66,;-5.19,-5.07,;-3.65,-4.91,;-3.33,-3.4,;-2,-2.63,;-2,-1.09,;-3.33,-.32,;-4.67,.45,;-4.67,-1.09,;-4.67,-2.63,;-.67,-.32,;-.67,1.22,;.67,1.99,;2,1.22,;3.33,1.99,;4.67,1.22,;6,1.99,;6,3.53,;7.34,4.3,;4.67,4.3,;3.33,3.53,;2,-.32,;3.14,-1.35,;4.65,-1.03,;2.52,-2.76,;.99,-2.6,;.67,-1.09,;-2,1.99,;-2,3.53,;-3.33,4.3,;-4.67,3.53,;-6,4.3,;-7.34,5.07,;-4.67,1.99,;-6,1.22,;-3.33,1.22,)|
COc1ccc(cc1O)-c1c(nc(N2CCC(N)CC2)c2[nH]ncc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)c2[nH]ncc12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.34,;-5.81,-3.66,;-5.19,-5.07,;-3.65,-4.91,;-3.33,-3.4,;-2,-2.63,;-2,-1.09,;-3.33,-.32,;-4.67,.45,;-4.67,-1.09,;-4.67,-2.63,;-.67,-.32,;-.67,1.22,;.67,1.99,;2,1.22,;3.33,1.99,;4.67,1.22,;6,1.99,;6,3.53,;7.34,4.3,;4.67,4.3,;3.33,3.53,;2,-.32,;3.14,-1.35,;2.52,-2.76,;.99,-2.6,;.67,-1.09,;-2,1.99,;-2,3.53,;-3.33,4.3,;-4.67,3.53,;-6,4.3,;-7.34,5.07,;-4.67,1.99,;-6,1.22,;-3.33,1.22,)|
COC1=CC=C(c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)CC1F
Cc1noc(C)c1-c1ccc2nc(N3CCC(N)CC3)nc(-c3ccc(C#N)c(F)c3)c2c1
Cc1ccccc1-c1ccc2nc(N3CCC(N)CC3)nc(-c3ccc(C#N)c(F)c3)c2c1
Cc1cccc(-c2ccc3nc(N4CCC(N)CC4)nc(-c4ccc(C#N)c(F)c4)c3c2)c1
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccc5c(cnn5C)c4)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4cccc5c4cnn5C)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4cccc5cnn(C)c45)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(C)cccc4C)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccccc4OC(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4cccc(F)c4F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(Cl)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(C)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(F)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4cccc(F)c4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccc(OC)c(F)c4)cc23)cn1
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4ccc(OC)c(F)c4)cc23)cc1
COc1ccc(-c2ccc3nc(NCC4CCNC4)nc(-c4ccc(C#N)c(F)c4)c3c2)cc1F
N#Cc1ccc(-c2nc(NCC3CCNC3)nc3ccc(-c4ccccc4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccc(OC)c(F)c4)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@@H]3CCNC3)nc3ccc(-c4ccc(OC)c(F)c4)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccccc4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@@H]3CCNC3)nc3ccc(-c4ccccc4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccccc4OC(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4ccccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cccc(F)c4F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cscc4C)cc23)cc1F
Cc1cccc(C)c1-c1ccc2nc(NC[C@H]3CCNC3)nc(-c3ccc(C#N)c(F)c3)c2c1
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(C)cc(C)cc4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cccc(F)c4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(C)cccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(C)nn(C)c4C)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(F)cccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(Cl)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(Cl)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(C)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(F)cccc4Cl)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cc(F)ccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cccc(F)c4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cccc(C)c4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4c(F)ccc(O)c4F)cc23)cc1F
N#Cc1ccc(-c2nc(NC[C@H]3CCNC3)nc3ccc(-c4cccc(O)c4F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(C)(N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC4C(N)C4C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(NC)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@H](N)[C@H](F)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@@H](N)[C@H](C)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3C4CCC3CC(N)C4)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCCC(N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)C(C)(C)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCCC(N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N(C)C)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC[C@@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC[C@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC4NCCC4C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC4(CCCN4)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3cc(F)c(-c4ccccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3cc(F)c(-c4ccccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3c(F)cc(-c4ccccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3c(F)cc(-c4ccccc4F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3c(F)cc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@@H](N)[C@@H](F)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@@H](N)[C@H](F)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@H](N)[C@@H](F)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCCC[C@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCCC[C@@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC[C@H](N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC[C@@H](N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CC[C@@H](N)C3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3c2CN(c2ccccc2C(F)(F)F)CC3)cc1F
N#Cc1ccc(C2=NC(N3CCC(N)CC3)N=C3C=CN(c4c(F)cccc4C(F)(F)F)C=C32)cc1F
Cn1ncc2cccc(N3CCc4nc(N5CCC(N)CC5)nc(-c5ccc(C#N)c(F)c5)c4C3)c21
N#Cc1ccc(-c2nc(N3CCC(N)CC3)nc3ccc(-c4c(F)cccc4C(F)(F)F)cc23)cc1F
Cn1c(=O)c(-c2ccccc2C(F)(F)F)cc2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)nc21
COCCc5ccc(c3ccc(C(=O)N1C2CCC1CC(N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c5
CC(C)(O)Cc1ccc(C2=C(c3ccc(C#N)c(F)c3)CC(C(=O)N3CC[C@H](N)C3)C=C2)cc1
CC(C)=Cc1ccc(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2-c2ccc(C#N)cc2)cc1
O=C(NO)c1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccccc3)cn2)cc1
O=C(NO)c1ccc(Cn2cc(CN[C@H]3CC3c3ccccc3)cn2)cc1
O=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)CC2)cc1
O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3cnn(-c4ccccc4)c3)CC2)cc1
O=C(NO)c1ccc(/C=C/C(=O)N2CC(CN[C@@H]3C[C@H]3c3ccc(F)cc3)C2)cc1
O=C(NO)c1ccc(/C=C/C(=O)N2CC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)C2)cc1
O=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccc(-c4cncnc4)cc3)CC2)cc1
O=C(NO)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(-c4cncnc4)cc3)CC2)cc1
CN1C(=O)C(C)(C)c2cc([C@@H]3C[C@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)ccc21
CN1C(=O)C(C)(C)c2cc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)ccc21
ONC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1
CC(C)n1cc([C@@H]2C[C@H]2NCC2CCN(CCCc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cn1
CC(C)n1cc([C@H]2C[C@@H]2NCC2CCN(CCCc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cn1
Cn1cc(-c2ccc([C@@H]3C[C@H]3NCC3CCN(Cc4ccc(C(=O)Nc5ccccc5N)cc4)CC3)cc2)ccc1=O
Cn1cc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(Cc4ccc(C(=O)Nc5ccccc5N)cc4)CC3)cc2)ccc1=O
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccc(F)cc3)nn2)cc1
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CN[C@H]3C[C@@H]3c3ccc(F)cc3)nn2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3cnn(-c4ccccc4)c3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3cnn(-c4ccccc4)c3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(F)c(F)c3)CC2)cc1
Cc1noc(C)c1-c1ccc([C@@H]2C[C@H]2NCC2CCN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1
Cc1noc(C)c1-c1ccc([C@H]2C[C@@H]2NCC2CCN(Cc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccccc3)nn2)cc1
Nc1ccccc1NC(=O)c1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccccc3)cn2)cc1
COCCc1ccc(-c2ccc(C(=O)N3CCC4(CCNC4)CC3)cc2-c2ccc(C#N)c(F)c2)c(F)c1
COCCc1ccc(-c2ccc(C(=O)N3CCCNCC3)cc2-c2ccc(C#N)c(F)c2)c(F)c1
CN6CCOc5cc(c3ccc(C(=O)N1C2CCC1CC(N)C2)cc3c4ccc(C#N)c(F)c4)ccc56
Cn6nnc5cc(c3ccc(C(=O)N1C2CCC1CC(N)C2)cc3c4ccc(C#N)c(F)c4)c(F)cc56
CC(C)(O)Cc5ccc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c5
Cn6nnc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c(F)c56
CC(C)(O)Cn6nnc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c(F)c56
CCC(O)(CC)Cn6ncc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)cc56
CCC(O)(CC)Cn6nnc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c(F)c56
Cn6cc(C(=O)O)c5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)cc56
Cc5c(F)c(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)cc6nnn(CC(C)(C)O)c56
CC(C)(O)Cn6nnc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c(C(F)F)c56
N#Cc7ccc(c3cc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)ccc3c6cc5nnn(CC4(O)CCC4)c5c(Cl)c6F)cc7F
N#Cc7ccc(c3cc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)ccc3c6cc5nnn(CC4(O)CCC4)c5c(C(F)F)c6F)cc7F
Cc6c(F)c(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)cc7nnn(CC5(O)CCC5)c67
CC(C)(O)Cn6nnc5cc(c3ccc(C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2)cc3c4ccc(C#N)c(F)c4)c(F)c(Br)c56
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
COc1cc(F)c(\C=C\c2ccc(cc2)C(=O)NO)cc1OC
COc1cc(Br)c(\C=C\c2ccc(cc2)C(=O)NO)cc1OC
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccccc1F
COCCOc1cc2ncnc(Sc3nc[nH]n3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nccs3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ncccn3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ncc(Br)cn3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ncc(Cl)cn3)c2cc1OCCOC
COc1cc2c(Sc3nc[nH]n3)ncnc2cc1OBr
COc1cc2ncnc(Sc3nc[nH]n3)c2cc1OCCCN1CCOCC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC
Cn1c(cc2cc(F)ccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2N(Cc3ccc(OC4CCNCC4)cc3)CCCc12
Cn1c(cc2sccc12)C(=O)Nc1cccc2N(Cc3ccc(OC4CCNCC4)cc3[N+]([O-])=O)CCCc12
Cn1c(cc2ccccc12)C(=O)CC(=O)Nc1cccc2N(Cc3ccc(OC4CCNCC4)cc3)CCCc12
FC(F)(F)c1ccc(cc1)C(=O)CC(=O)Nc1cccc2N(Cc3ccc(OC4CCNCC4)cc3)CCCc12
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN3CCC[C@H](N)C3)c2cc1-c1ccc(cc1)C#N |r|
CNCCCNCc1coc2cc(-c3ccc(C)cc3)c(cc12)-c1ccc(cc1)C#N
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
ONC(=O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
Cc1ccc(c(F)c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
COc1ccc(cc1)S(=O)(=O)N(CCSC(=S)N1CCN(C)CC1)c1cc(OC)c(OC)c(OC)c1
Cc1nnc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
O=C(Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1)c1ccc(cc1)-c1ccccc1 |r|
CN(C(=O)c1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1)c1ccc([18F])nc1 |r|
COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
N[C@@H]1C[C@H]1c1cccc(c1)C(=O)NCc1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccc(cc1)C(=O)NCCc1ccccc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]C#C)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
C[C@]1(N)C[C@@H]1c1ccccc1
N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1
C[C@]1(N)C[C@@H]1c1ccccc1
N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1
CC[C@@]1(N)C[C@H]1c1ccccc1
CC[C@]1(N)C[C@@H]1c1ccccc1
N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1
C[C@@]1(N)C[C@H]1c1ccccc1
N[C@]1(C[C@H]1c1ccccc1)c1ccccc1
N[C@@]1(CO)C[C@H]1c1ccccc1 |r|
N[C@]1(C[C@H]1c1ccccc1)C(O)=O |r|
N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
CCOC(=O)[C@]1(N)C[C@H]1c1ccccc1 |r|
CC[C@@]1(N)C[C@@H]1c1ccccc1
CCC[C@@]1(N)C[C@H]1c1ccccc1
N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85|
C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(F)cc2)nc(NNC(N)=S)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)c(Cl)c2)nc(NNC(N)=S)c1C#N
Clc1ccc(cc1)-c1nc(SCc2cn(Cc3ccccc3Cl)nn2)nc(Cl)c1C#N
Clc1ccccc1Cn1cc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)nn1
Clc1cccc(c1)-c1nc(SCC#C)nc(Cl)c1C#N
Clc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
Fc1ccc(cc1F)-c1nc(SCC#C)nc(Cl)c1C#N
Clc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
[O-][N+](=O)c1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
Fc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
Cc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Cl)c1C#N
Clc1nc(SCC#C)nc(-c2ccccc2)c1C#N
COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Nc2cccc(c2)C(F)(F)F)c1C#N
COc1ccc(Nc2nc(SCC#C)nc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)cc1
Clc1ccc(Nc2nc(SCC#C)nc(-c3ccc(Br)cc3)c2C#N)cc1
FC(F)(F)c1cccc(Nc2nc(SCC#C)nc(-c3ccc(Cl)cc3)c2C#N)c1
COc1ccc(Nc2nc(SCC#C)nc(-c3ccc(Cl)cc3)c2C#N)cc1
COc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
Cc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
Clc1ccccc1Nc1nc(SCC#C)nc(-c2ccccc2)c1C#N
[O-][N+](=O)c1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
Fc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
Clc1cccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)c1
Clc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
FC(F)(F)c1cccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)c1
NC(=N)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
NC(=O)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
NC(=O)NNc1nc(SCC#C)nc(-c2cccc(Cl)c2)c1C#N
CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N
Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N
NC(=O)NNc1nc(SCC#C)nc(-c2ccc(F)c(F)c2)c1C#N
NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
COc1cccc(c1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2cccc(Cl)c2)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)c(F)c2)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N
CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
NC(=S)NNc1nc(SCC#C)nc(-c2ccccc2)c1C#N
Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.NC1CC1c1ccccc1NC(=O)c1ccccc1
Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 |r|
NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1F)C#N
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCNCC2)cc1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCOCC2)cc1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCCCC2)cc1
O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(O)=O
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CO)cc1
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccsc1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#C
Fc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Cc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1cccnc1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCOCC1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)NC1CC1
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCCCC1
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
Cc1ccc(cc1)-c1ccc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCNCC1
CCNCc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(C)cc1
C(Oc1ccc(nc1)-c1ccccc1)C1CCNCC1
Cc1ccc(cc1)-c1ncc(OCC2CCCNC2)cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(NCC2CCCNC2)cc1-c1ccc(cc1)C#N
Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)cc1
N#Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(C)cc1
C(Oc1cnc(-c2ccccc2)c(n1)-c1ccccc1)C1CCNCC1
Cc1ccc(cc1)-c1ncc(OCc2ccccc2)cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(O)cc1-c1ccc(cc1)C#N
Fc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
C(Oc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CCNCC1
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
Brc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
Cc1cccc(c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
CCc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Fc1ccc(cc1F)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Fc1ccc(c(F)c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1 |r|
FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccncc1
CC(C)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
COc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
OC(=O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
CC(C)CC(NC(=O)C(CCCN(CC#C)Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCN(C)CC#C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCCNC1CC1c1ccccc1)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(c2)C#N)CC1 |r|
OC(=O)CC1(CN(CCC(F)(F)F)C1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
COC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1 |r|
C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1 |r|
CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
Cc1ncc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
Fc1ccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccccc2)cc1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@]1(N)CCc1ccccc1 |r|
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(OC(=O)OC(C)(C)C)cc1 |r|
CSCCc1nc(oc1C)-c1cc(N)ccc1Cl
CC(C)CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(N)=O |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)Cn1cc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)nn1 |r,t:17|
[O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CO)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
N[C@H]1C[C@@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
N[C@@H]1C[C@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
NC1CC1c1cccc2ccccc12
O=C(CNC1CC1c1ccccc1)NC1CC1
NC1CC1c1cccc(OCCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
COc1ccc(cc1)[C@@H]1C[C@H]1N |r|
N[C@@H]1C[C@H]1c1ccc(F)cc1 |r|
N[C@@H]1C[C@H]1c1ccc(Br)cc1 |r|
N[C@@H]1C[C@H]1c1cccc(Br)c1 |r|
N[C@@H]1C[C@H]1c1ccc(cc1)-c1ccccc1 |r|
N[C@@H]1C[C@H]1c1cccc(c1)-c1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccccc1-c1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccccc1Br |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]\[#6]=[#6]/Cl)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
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CCCSc1nc(Sc2ccccn2)c2nnn(CC(C)C)c2n1
CCCSc1nc(Sc2ccccn2)c2nnn(C3CCCC3)c2n1
CCCSc1nc(Sc2ccccn2)c2nnn(Cc3ccccc3)c2n1
C#CCSc1nc(Sc2ccccn2)c2nnn(Cc3ccccc3)c2n1
CCCSc1nc(Sc2ccccn2)c2nnn(CCO)c2n1
CCCSc1nc(Sc2ccccn2)c2nnn(Cc3ccco3)c2n1
CCCSc1nc(Sc2ccccn2)c2nnn(CCc3cccs3)c2n1
C(Sc1nc(Sc2ccccn2)c2nnn(Cc3ccccc3)c2n1)c1ccccc1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(F)c2)c1
N\C(=N/O)c1cccc(\C=C\c2cc(O)cc(O)c2)c1
N\C(=N/O)c1cccc(\C=C\c2cc(O)c(O)cc2Br)c1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)cc2)c1
N\C(=N/O)c1ccc(\C=C\c2ccc(O)c(O)c2)cc1
N\C(=N/O)c1ccc(\C=C\c2ccc(O)c(F)c2)cc1
N\C(=N/O)c1ccc(\C=C\c2ccc(O)cc2)cc1
N\C(=N/O)c1ccc(\C=C\c2cc(O)c(O)cc2F)cc1
N\C(=N/O)c1ccc(\C=C\c2cc(O)c(O)cc2Br)cc1
N\C(=N/O)c1cccc(\C=C\c2ccncc2)c1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(O)c2)c1
N\C(=N/O)c1cccc(\C=C\c2cc(O)c(O)cc2F)c1
NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1 |w:21.23,37.38|
CCNCCCCNCCCCNCCCCNCCCCNC\C=C\CNCCCCNCCCCNCCCCNCCCCNCC
COc1ccc(cc1)C1CC1N
CC(NC1CC1c1ccccc1)c1ccc2OCCOc2c1
CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F
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CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CO)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CCO)C(N)=O |r|
NC1CCN(CC1)C(=O)CN(Cc1ccc(C#N)c(F)c1)c1ccc(cc1)C#N
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N(CC(=O)N1CCC(N)CC1)c1ccc(cc1)C#N
Cn1ncc2cc(CN(CC(=O)N3CCC(N)CC3)c3ccc(cc3)C#N)ccc12
NC1CCN(CC1)C(=O)CN(Cc1ccccc1)c1ccc(cc1)C#N
COc1ccc(CN(CC(=O)N2CCC(N)CC2)c2ccc(cc2)C#N)cc1F
Cc1ccc(CN(CC(=O)N2CCC(N)CC2)c2ccc(cc2)C#N)cc1
COc1cc(ccc1-n1nc(C)cc1C)N(CC(=O)N1CCC(N)CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(C)=O
Cn1cc2cc(ccc2n1)N(CC(=O)N1CCC[C@@H](N)C1)S(=O)(=O)c1ccc(cc1)C#N |r|
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N(CC(=O)N1CCC[C@@H](N)C1)c1ccc(cc1)C#N |r|
CN(C)C1CCN(CC1)C(=O)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(C)cc1
CNC1CCN(CC1)C(=O)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(C)cc1
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCC(C)(N)CC1)c1ccc(cc1)C#N
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[C@H](N)C1)c1ccc(cc1)C#N |r|
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCNCC1)c1ccc(cc1)C#N
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCC[C@H](N)C1)c1ccc(cc1)C#N |r|
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCC[C@@H](N)C1)c1ccc(cc1)C#N |r|
[H][C@]12CN(C(=O)CN(c3ccc(cc3)C#N)S(=O)(=O)c3ccc(C)cc3)[C@]([H])(CN1)C2 |r|
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[C@H]1CN2CCC1CC2)c1ccc(cc1)C#N |r,wD:15.15,(17.25,-37.07,;15.92,-37.85,;15.92,-39.39,;14.6,-40.16,;13.27,-39.39,;13.25,-37.86,;14.58,-37.08,;11.93,-40.16,;12.69,-41.49,;11.16,-41.48,;10.6,-39.4,;10.59,-37.86,;9.25,-37.09,;7.92,-37.87,;9.25,-35.55,;10.58,-34.78,;11.92,-35.54,;13.25,-34.77,;13.25,-33.23,;11.91,-32.46,;10.57,-33.24,;12.1,-33.23,;11.7,-34.72,;9.26,-40.17,;7.93,-39.41,;6.6,-40.18,;6.6,-41.72,;7.93,-42.5,;9.27,-41.72,;5.27,-42.5,;3.93,-43.27,)|
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(cc1)C#N
COc1cc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)ccc1-n1nc(C)cc1C
COc1cc(NS(=O)(=O)c2ccc3n(C)c(=O)c(C)cc3c2)ccc1-n1nc(C)cc1C
COc1cc(NS(=O)(=O)c2ccccc2)ccc1-n1nc(C)cc1C
COc1ccc(CN(CC(=O)N2CCC(F)(CN)CC2)c2ccc(cc2)C#N)cc1F
COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1F
NCC1CCN(CC1)C(=O)CN(Cc1cccc(c1)C(N)=O)c1ccc(cc1)C#N
NCC1CCN(CC1)C(=O)CN(Cc1ccc(F)cc1)c1ccc(cc1)C#N
NCC1CCN(CC1)C(=O)CN(Cc1ccc(Cl)cc1)c1ccc(cc1)C#N
COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F
NCC1CCN(CC1)C(=O)CN(Cc1ccc(cc1)C(N)=O)c1ccc(cc1)C#N
Cc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CC[C@@H](N)C1)c1ccc(cc1)C#N |r|
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCC(N)CC1)c1ccc(cc1)C#N
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[C@@H]1CN2CCC1CC2)c1ccc(cc1)C#N |r,wU:15.15,(36.24,-5.68,;34.91,-6.46,;34.91,-8,;33.59,-8.77,;32.26,-8,;32.25,-6.47,;33.57,-5.69,;30.92,-8.77,;31.68,-10.1,;30.15,-10.09,;29.59,-8.01,;29.58,-6.47,;28.24,-5.7,;26.91,-6.48,;28.24,-4.16,;29.57,-3.39,;30.91,-4.15,;32.24,-3.38,;32.24,-1.84,;30.9,-1.07,;29.56,-1.85,;31.09,-1.84,;30.69,-3.33,;28.26,-8.78,;26.92,-8.02,;25.59,-8.79,;25.59,-10.34,;26.92,-11.11,;28.26,-10.33,;24.26,-11.11,;22.93,-11.88,)|
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
CC(C)(O)CCOc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC(N)CC2)on1
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](F)[C@@H](N)C2)on1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n(C)n1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCOC(CN)C2)on1
Cc1nc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)no1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OC[C@H]2CCC(=O)N2)n(n1)-c1ccc(cc1)C#N |r|
[H][C@@]12CN(C[C@]1([H])NCCC2)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r|
CN(C)C1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N
CC(C)c1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(O)C(F)(F)F)n(n1)-c1ccc(cc1)C#N |r|
Cc1nnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)o1 |r|
CCc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r|
Cn1ncnc1COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CC(O)COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OC[C@@H]2CCC(=O)N2)n(n1)-c1ccc(cc1)C#N |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(=O)N2CCOCC2)n(n1)-c1ccc(cc1)C#N |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)on1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@H](N)C2)on1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@@H](N)C2)on1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CC[C@H](N)C2)on1 |r|
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCCC(C2)N2CCCC2)on1
Cc1cc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC(CN)CC2)on1
[H][C@]12CN(C[C@@]1([H])NCCC2)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r|
CN(C)C(=O)COc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
CC(Oc1cc(nn1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1)C(N)=O |r|
CN[C@@H]1CCCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N |r|
Cn1cnc(COc2cc(nn2-c2ccc(cc2)C#N)C(=O)N2CCC[C@@H](N)C2)n1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(N)=O)n(n1)-c1ccc(cc1)C#N |r|
CCN(CC)C1CCN(C1)C(=O)c1cc(OCc2cc(C)no2)n(n1)-c1ccc(cc1)C#N
CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
CC(C)c1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
CC(C)c1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N
CC(C)c1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
N[C@H]1C[C@@]1(F)c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@@]1(F)c1cccc(F)c1 |r|
N[C@H]1C[C@@]1(F)c1cccc(c1)[N+]([O-])=O |r|
N[C@H]1C[C@]1(F)c1cccc(c1)S(F)(F)(F)(F)F |r|
N[C@H]1C[C@]1(F)c1cccc(c1)C(F)(F)F |r|
N[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
COc1cccc(c1)[C@@]1(F)C[C@@H]1N |r|
N[C@H]1C[C@@]1(F)c1ccc(cc1)S(F)(F)(F)(F)F |r|
N[C@H]1C[C@@]1(F)c1ccc(cc1)C(F)(F)F |r|
N[C@H]1C[C@@]1(F)c1cccc(c1)S(F)(F)(F)(F)F |r|
CCOc1ccc(cc1)[C@]1(F)C[C@@H]1N |r|
N[C@H]1C[C@@]1(F)c1ccc(cc1)[N+]([O-])=O |r|
N[C@H]1C[C@]1(F)c1ccc(cc1)S(F)(F)(F)(F)F |r|
N[C@H]1C[C@]1(F)c1ccc(cc1)C(F)(F)F |r|
N[C@H]1C[C@]1(F)c1ccc(cc1)[N+]([O-])=O |r|
Cc1ccc(cc1)[C@]1(F)C[C@@H]1N |r|
N[C@H]1C[C@]1(F)c1ccc(Cl)cc1 |r|
N[C@H]1C[C@@]1(F)c1ccc(F)cc1 |r|
CCOc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
COc1ccc(cc1)[C@]1(F)C[C@@H]1N |r|
N[C@H]1C[C@@]1(F)c1ccccc1 |r|
N[C@H]1C[C@]1(F)c1ccccc1 |r|
COc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
Cc1ccc(cc1)[C@@]1(F)C[C@@H]1N |r|
N[C@H]1C[C@]1(F)c1cccc(c1)[N+]([O-])=O |r|
N[C@H]1C[C@]1(F)c1ccc(F)cc1 |r|
COc1cccc(c1)[C@]1(F)C[C@@H]1N |r|
Cc1cc(Nc2ccccc2)n2nc(SCc3ccccc3)nc2n1
Cc1ccc(Nc2cc(C)nc3nc(SCc4ccccc4)nn23)cc1
COc1cc(Nc2cc(C)nc3nc(SCc4ccccc4)nn23)cc(OC)c1OC
Cc1cc(Nc2ccc(cc2)C(O)=O)n2nc(SCc3ccccc3)nc2n1
Cc1cc(N2CCOCC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(N2CCN(CCO)CC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(N2CCC(CC2)N2CCCCC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NCCCN2CCOCC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NCCCO)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NCCc2c[nH]c3ccccc23)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NNC(N)=S)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NNC(=O)c2cnccn2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(Nc2ccccc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(Nc2ccc(Cl)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(Nc2ccc(cc2)C#N)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(Nc2ccc(cc2)C(O)=O)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
COc1cc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc(OC)c1OC
CCC1(CCC(=O)NC1=O)c1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1
Cc1cc(Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(Nc2ccc(cc2)C(=O)\C=C\c2cccs2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(N)n2nc(SCc3ccccc3)nc2n1
Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(N2CCNCC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(OCCN2CCCC2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NCCCn2ccnc2)n2nc(SCc3ccccc3)nc2n1
Cc1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1
Cc1cc(Nc2ccc(Br)cc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
Cc1cc(NNC(=O)c2cnccn2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1
COc1cc(\C=C\C(=O)c2ccc(Nc3cc(C)nc4nc(SCc5nc6ccccc6[nH]5)nn34)cc2)cc(OC)c1OC
Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@@H]1CC[C@H](N)CC1 |r,wU:14.17,wD:10.11,25.28,28.32,(40.71,-22.41,;40.86,-23.94,;42.18,-24.72,;41.85,-26.23,;40.31,-26.37,;39.39,-27.61,;37.86,-27.42,;37.25,-26.01,;38.16,-24.78,;39.7,-24.96,;36.93,-28.65,;37.39,-30.12,;36.14,-31.02,;34.91,-30.09,;35.39,-28.63,;34.51,-27.38,;35.14,-25.98,;34.26,-24.72,;32.73,-24.87,;32.08,-26.26,;32.97,-27.52,;31.84,-23.61,;30.95,-22.34,;36.12,-32.56,;34.77,-33.31,;37.44,-33.34,;38.77,-32.58,;40.09,-33.37,;40.08,-34.91,;41.39,-35.69,;38.73,-35.66,;37.42,-34.88,)|
COc1ccc(cn1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@@H]1CC[C@H](N)CC1 |r,wU:12.14,24.26,27.30,wD:8.8,(41.88,-24.7,;40.35,-24.52,;39.42,-25.77,;37.88,-25.59,;36.97,-26.82,;37.58,-28.24,;39.11,-28.42,;40.03,-27.19,;36.65,-29.47,;37.11,-30.95,;35.85,-31.85,;34.62,-30.91,;35.1,-29.45,;34.22,-28.19,;34.86,-26.79,;33.97,-25.53,;32.43,-25.68,;31.78,-27.08,;32.68,-28.34,;31.55,-24.42,;30.65,-23.14,;35.83,-33.39,;34.49,-34.14,;37.16,-34.17,;37.14,-35.71,;35.8,-36.46,;35.78,-37.99,;37.1,-38.78,;37.08,-40.31,;38.45,-38.02,;38.47,-36.48,)|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@@H]1CCC[C@@H](N)C1 |r|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@H]1CC[C@H](N)CC1 |r,wU:11.13,26.29,wD:7.7,23.25,(42.56,-23.35,;41.63,-24.6,;40.1,-24.42,;39.18,-25.65,;39.8,-27.06,;41.32,-27.25,;42.24,-26.01,;38.86,-28.29,;39.33,-29.76,;38.07,-30.66,;36.84,-29.73,;37.33,-28.27,;36.44,-27.02,;37.08,-25.62,;36.2,-24.37,;34.66,-24.51,;34.01,-25.91,;34.91,-27.16,;33.78,-23.25,;32.88,-21.98,;38.05,-32.2,;36.71,-32.94,;39.37,-32.98,;39.35,-34.52,;38.01,-35.26,;37.98,-36.8,;39.3,-37.59,;39.28,-39.12,;40.65,-36.84,;40.68,-35.3,)|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCCNC1 |r|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C1CCNCC1 |r|
Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:25.28,14.17,wD:10.11,28.32,(69.23,-20.88,;69.38,-22.41,;70.71,-23.2,;70.37,-24.71,;68.83,-24.85,;67.91,-26.09,;66.38,-25.9,;65.77,-24.49,;66.68,-23.26,;68.22,-23.44,;65.45,-27.14,;65.91,-28.61,;64.65,-29.51,;63.42,-28.58,;63.91,-27.12,;63.02,-25.86,;63.66,-24.46,;62.78,-23.2,;61.24,-23.35,;60.59,-24.74,;61.49,-26,;60.36,-22.09,;59.46,-20.82,;64.63,-31.05,;63.29,-31.8,;65.96,-31.83,;67.29,-31.07,;68.61,-31.86,;68.6,-33.4,;69.92,-34.18,;69.9,-35.72,;67.25,-34.15,;65.94,-33.36,)|
Cc1ccc(cc1)[C@H]1[C@@H](N([C@H]2CC[C@H](N)CC2)C1=O)c1ccc(cc1)C#N |r,wU:8.21,10.10,wD:7.7,13.14,(25.54,-20.09,;26.63,-21.18,;28.12,-20.78,;29.21,-21.87,;28.81,-23.35,;27.33,-23.76,;26.24,-22.67,;29.9,-24.44,;29.9,-25.98,;31.44,-25.98,;32.53,-27.07,;34,-26.65,;35.09,-27.75,;34.69,-29.24,;35.77,-30.33,;33.2,-29.63,;32.12,-28.54,;31.44,-24.44,;32.53,-23.35,;28.81,-27.07,;27.32,-26.66,;26.23,-27.75,;26.63,-29.24,;28.13,-29.64,;29.21,-28.54,;25.54,-30.33,;24.46,-31.42,)|
COc1ccc(cc1)[C@H]1[C@@H](N([C@H]2CC[C@H](N)CC2)C1=O)c1ccc(cc1)C#N |r,wU:9.22,11.11,wD:8.8,14.15,(24.78,-17.37,;24.38,-18.86,;25.47,-19.95,;26.96,-19.55,;28.05,-20.64,;27.65,-22.12,;26.17,-22.53,;25.08,-21.45,;28.74,-23.21,;28.74,-24.75,;30.28,-24.75,;31.37,-25.84,;32.85,-25.43,;33.93,-26.52,;33.53,-28.01,;34.62,-29.1,;32.04,-28.4,;30.96,-27.32,;30.28,-23.21,;31.37,-22.12,;27.65,-25.84,;26.16,-25.43,;25.07,-26.52,;25.47,-28.01,;26.97,-28.41,;28.05,-27.32,;24.38,-29.1,;23.3,-30.19,)|
Cc1ccc(cc1)[C@@H]1[C@@H](N([C@H]2CC[C@H](N)CC2)C1=O)c1ccc(cc1)C#N |r,wU:7.7,8.21,10.10,wD:13.14,(25.54,-20.09,;26.63,-21.18,;28.12,-20.78,;29.21,-21.87,;28.81,-23.35,;27.33,-23.76,;26.24,-22.67,;29.9,-24.44,;29.9,-25.98,;31.44,-25.98,;32.53,-27.07,;34,-26.65,;35.09,-27.75,;34.69,-29.24,;35.77,-30.33,;33.2,-29.63,;32.12,-28.54,;31.44,-24.44,;32.53,-23.35,;28.81,-27.07,;27.32,-26.66,;26.23,-27.75,;26.63,-29.24,;28.13,-29.64,;29.21,-28.54,;25.54,-30.33,;24.46,-31.42,)|
Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc(CN)cc1 |r|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@@H]1CC[C@H](N)CC1 |r,wU:23.25,11.13,26.29,wD:7.7,(42.56,-23.35,;41.63,-24.6,;40.1,-24.42,;39.18,-25.65,;39.8,-27.06,;41.32,-27.25,;42.24,-26.01,;38.86,-28.29,;39.33,-29.76,;38.07,-30.66,;36.84,-29.73,;37.33,-28.27,;36.44,-27.02,;37.08,-25.62,;36.2,-24.37,;34.66,-24.51,;34.01,-25.91,;34.91,-27.16,;33.78,-23.25,;32.88,-21.98,;38.05,-32.2,;36.71,-32.94,;39.37,-32.98,;39.35,-34.52,;38.01,-35.26,;37.98,-36.8,;39.3,-37.59,;39.28,-39.12,;40.65,-36.84,;40.68,-35.3,)|
Cn1ncc2cc(ccc12)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:25.28,14.17,wD:10.11,28.32,(38.91,-22.24,;39.06,-23.76,;40.39,-24.55,;40.05,-26.06,;38.51,-26.2,;37.6,-27.43,;36.07,-27.25,;35.45,-25.84,;36.37,-24.61,;37.9,-24.79,;35.13,-28.48,;35.6,-29.95,;34.34,-30.85,;33.11,-29.92,;33.59,-28.46,;32.71,-27.21,;33.35,-25.81,;32.46,-24.55,;30.93,-24.7,;30.28,-26.09,;31.18,-27.35,;30.05,-23.44,;29.15,-22.17,;34.32,-32.39,;32.98,-33.14,;35.64,-33.17,;36.97,-32.41,;38.3,-33.2,;38.28,-34.74,;39.6,-35.52,;36.94,-35.49,;35.62,-34.71,)|
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCNCC1 |r|
Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
COc1ccc(cn1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CC1CCCNC1 |r|
CNC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(cc1)C#N)c1ccc(C)cc1 |r,wU:6.9,14.17,wD:13.26,3.2,(42.42,-38.85,;41.1,-38.06,;41.12,-36.52,;39.8,-35.74,;39.81,-34.2,;38.49,-33.41,;37.15,-34.17,;37.13,-35.7,;38.45,-36.49,;35.83,-33.39,;34.48,-34.13,;35.85,-31.84,;37.11,-30.94,;36.65,-29.47,;35.1,-29.45,;34.62,-30.91,;34.22,-28.19,;34.85,-26.79,;33.97,-25.53,;32.43,-25.67,;31.78,-27.08,;32.68,-28.33,;31.55,-24.42,;30.65,-23.14,;37.58,-28.24,;36.96,-26.82,;37.88,-25.58,;39.41,-25.77,;40.35,-24.52,;40.03,-27.18,;39.11,-28.42,)|
CNC[C@H]1CC[C@@H](CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc2n(C)ncc2c1)c1ccc(cc1)C#N |r,wU:6.9,13.29,wD:14.17,3.2,(68.45,-37.02,;69.8,-36.27,;69.82,-34.74,;68.49,-33.95,;68.51,-32.41,;67.19,-31.62,;65.85,-32.38,;65.83,-33.92,;67.15,-34.7,;64.53,-31.6,;63.18,-32.35,;64.55,-30.06,;63.32,-29.12,;63.8,-27.66,;65.35,-27.68,;65.81,-29.16,;66.28,-26.45,;65.66,-25.03,;66.58,-23.8,;68.12,-23.98,;69.28,-22.96,;69.13,-21.43,;70.61,-23.74,;70.27,-25.25,;68.73,-25.4,;67.81,-26.63,;62.92,-26.41,;63.55,-25,;62.67,-23.75,;61.13,-23.89,;60.48,-25.29,;61.38,-26.55,;60.25,-22.63,;59.35,-21.36,)|
[#6]-[#7]\[#6](-[#7]-[#6])=[#7]/[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7]-[#6])-[#7]-[#6]
N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 |r|
N[C@@H]1C[C@H]1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
CCNCCCCNCCCCNCCCCNCCCCNC\C=C/CNCCCCNCCCCNCCCCNCCCCNCC
ONC(=N)CC(=O)Nc1ccccc1
ONC(=N)CC(=O)Nc1ccccc1O
ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1
Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1
ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1
Nc1ccccc1NC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@H]2N)-c1ccccc1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCc1cccnc1OC
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@H]1CC[C@H](N)CC1
[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@H]2N)-c1ccc(F)cc1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCC1CCNCC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCc1cccnc1F
[H][C@@]12Cc3ccccc3[C@]1([H])[C@@H]2N
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2N
[H][C@]12Cc3cc(Br)ccc3[C@@]1([H])[C@H]2N
[H][C@@]12Cc3ccccc3[C@]1([H])[C@H]2N
[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@@H]2N)-c1ccc(F)cc1
[H][C@]12Cc3cc(Br)ccc3[C@@]1([H])[C@@H]2N
[H][C@]12Cc3ccccc3[C@@]1([H])[C@H]2NCC1CCNCC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@H]1CC[C@H](N)CC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@]2([H])N[C@@H]1CC[C@H](N)CC1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCc1cccnc1F
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2NCc1cccnc1OC
[H][C@]12Cc3ccccc3[C@@]1([H])[C@@H]2N
[H][C@]12Cc3cc(ccc3[C@@]1([H])[C@@H]2N)-c1ccccc1
[H][C@]12Cc3ccccc3[C@@]1([H])[C@]2([H])N[C@@H]1CC[C@H](N)CC1
CN[C@H]1CC[C@H](CC1)n1cc(-c2cccc(N)c2C)c2cc(C#N)c(C)cc12 |r,wU:5.8,2.1,(59.52,-18.39,;58.01,-18.09,;57.52,-16.62,;56.01,-16.31,;55.53,-14.85,;56.56,-13.71,;58.06,-14.01,;58.55,-15.46,;56.07,-12.25,;56.97,-10.99,;56.06,-9.75,;56.53,-8.28,;58.03,-7.96,;58.5,-6.5,;57.46,-5.36,;55.95,-5.69,;54.91,-4.56,;55.49,-7.16,;53.99,-7.49,;54.59,-10.24,;53.26,-9.47,;51.93,-10.24,;50.6,-9.47,;49.26,-8.7,;51.93,-11.79,;50.59,-12.56,;53.26,-12.56,;54.6,-11.78,)|
Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@@H]1CC[C@@H](O)C1 |r|
COc1ccc(cc1)-n1cc(-c2cncc(N)c2C)c2cc(ccc12)C#N
Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(25.18,-31.56,;26.52,-30.79,;27.85,-31.56,;29.19,-30.78,;30.66,-31.25,;31.56,-29.99,;30.65,-28.75,;31.12,-27.28,;32.62,-26.96,;33.09,-25.5,;32.05,-24.36,;30.54,-24.69,;29.5,-23.56,;30.08,-26.16,;28.58,-26.49,;29.18,-29.24,;27.85,-28.47,;26.52,-29.24,;25.19,-28.47,;23.85,-27.7,;31.15,-32.71,;32.65,-33.01,;33.14,-34.47,;32.11,-35.62,;32.6,-37.09,;30.6,-35.31,;30.12,-33.85,)|
Cc1cc2n(cc(-c3cccc(N)c3C)c2cc1C#N)[C@@H]1C[C@H](O)C1 |r,wU:20.22,22.25,(51.74,-33.59,;53.08,-32.82,;54.41,-33.59,;55.75,-32.81,;57.22,-33.28,;58.12,-32.02,;57.21,-30.78,;57.68,-29.31,;59.18,-28.99,;59.65,-27.53,;58.61,-26.39,;57.1,-26.72,;56.06,-25.59,;56.64,-28.19,;55.14,-28.52,;55.74,-31.27,;54.41,-30.5,;53.08,-31.27,;51.75,-30.5,;50.41,-29.73,;57.71,-34.74,;57.01,-36.11,;58.39,-36.8,;58.87,-38.26,;59.08,-35.42,)|
COc1ccc(cc1)-n1cc(-c2cccc(N)c2C)c2cc(ccc12)C#N
NC(=N)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(N)=N)CC1
COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
CSCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N |r|
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Cc1ccc(cc1)-c1nc(SCc2cn(CC(=O)NC(=O)Nc3ccccn3)nn2)nc(Nc2cccc(c2)C(F)(F)F)c1C#N
COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
CSCCc1nc(oc1C)-c1cccc(N)c1
CSCCc1nc(oc1C)-c1cccc(NC(N)=N)c1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
COc1c(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Clc1ccccc1Cn1nnc2c(Sc3nnnn3-c3ccccc3)nc(SCC#C)nc12
COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OC2CCNCC2)cc1
CN(CNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
CC(NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)Nc1cc(Cl)ccc1O
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCCc1ccc(cc1)[N+]([O-])=O
[O-][N+](=O)c1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)NCCc1ccc(O)cc1
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O
OC(CNCC#C)COc1ccc(cc1)-c1ccccc1
OC(CNC1CC1)COc1ccc2cc(Br)ccc2c1
CN(CC#C)CC(O)COc1ccc2cc(Br)ccc2c1
OC(CNCC#C)COc1ccc2ccccc2c1
CN(CC#C)CC(O)COc1ccc2ccccc2c1
CN(CCCOc1cccc(NC(=O)c2ccccc2)c1)CC#C
O=C(Nc1cccc(OCCCNCC#C)c1)c1ccccc1
CC#CCNCCCC[C@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C |r|
CC(C)(C)OC(=O)[C@H](CCCCNCC#C)NC(=O)c1ccccc1 |r|
Fc1ccccc1Cn1cc(CSC(=S)N2CCNCC2)nn1
CS(=O)(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
CS(=O)(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)S(C)(=O)=O)nn2)cc1
Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ncccn3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)c2ncccn2)nn1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ncccn3)nn2)cc1
Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ccccc3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)c2ccccc2)nn1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ccccc3)nn2)cc1
OCCN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
OCCN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CCO)CC3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCN(Cc3ccccc3)CC2)nn1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(Cc4ccccc4)CC3)nn2)cc1
CCN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
CCN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
CN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Cl)nn1
CN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
CN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
CN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1cc(=O)oc2ccccc12
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CC2=CC(=O)OC2)nn1 |t:22|
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2nc3ccccc3[nH]2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2cc(=O)[nH]c3ccccc23)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc3ccccc3c2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CCOc2cc(=O)oc3ccccc23)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CCc2ccc(F)cc2)nn1
Cc1ccc(CCn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1cccc(c1)C(F)(F)F
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1ccccc1F
COc1ccc(cc1)-n1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
Cc1ccc(cc1)-n1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
COc1cc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc(OC)c1OC
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2c(F)cccc2F)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(O)cc2O)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2cccc(O)c2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2O)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(O)cc2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Br)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2C(F)(F)F)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(cc2)C(F)(F)F)nn1
Cc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
Cc1cccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)c1
COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
CC(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
CCOC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
COc1cc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc(OC)c1OC
Clc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1Cl
COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
Clc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
Clc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OCc2ccccc2)nn1
Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OCc2ccccc2)nn1
COc1cc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc(OC)c1OC
Clc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1Cl
Fc1cccc(F)c1Cn1cc(CSC(=S)N2CCNCC2)nn1
FC(F)(F)c1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
COc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
Cc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
Clc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
Clc1ccccc1Cn1cc(CSC(=S)N2CCNCC2)nn1
Fc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(Cl)cc2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Cl)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
Clc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
Cc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
Fc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCOCC2)nn1
S=C(SCc1cn(Cc2ccccc2)nn1)N1CCOCC1
Clc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
S=C(SCc1cn(Cc2ccccc2)nn1)N1CCCCC1
Cc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
Fc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
Fc1ccccc1Cn1cc(CSC(=S)N2CCCCC2)nn1
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1Cl |w:2.2|
CCN(CC)c1cccc(c1)C(=O)NN=C(C)c1cccc(C)c1 |w:14.14|
NC1CC1c1ccc(OCCC(NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1
CC(=NNC(=O)c1ccc(O)cc1)c1ccccc1O |w:2.2|
Oc1ccc(cc1)C(=O)NN=Cc1ccccc1O |w:11.12|
CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1O |w:2.2|
CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1 |r|
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
CN(C)S(=O)(=O)c1cccc(c1)C(=O)NN=C(C)c1cc(Cl)ccc1O |w:15.15|
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1O |w:2.2|
CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:3.3|
S=C(NCCCNCCCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc2ccccc12 |w:2.2|
NC1CC1c1ccc(OCCCC(=O)NCc2ccccc2)cc1
COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(C=N)cc1
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccnc1 |w:2.2|
CC(=NNC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O |w:2.2|
CC(=NNC(=O)c1cnc(Cl)c(Br)c1)c1cc(Cl)ccc1O |w:2.2|
CC(=NNC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O |w:2.2|
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1 |w:2.2|
CC(=NNC(=O)c1ccccc1)c1c(O)cccc1O |w:2.2|
CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1F |w:2.2|
C(N[C@@H]1C[C@H]1c1ccccc1)c1c[nH]c2ccccc12 |r|
N[C@H]1C[C@@H]1c1ccc(Oc2ccccc2)cc1 |r|
CCNCCCNC\C=C/CNCCCNCC
COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)N1CCN(C)CC1 |r|
CC(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2OCCOc2c1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6@@H]-1-[#6]-[#6@H]-1-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1 |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1 |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Br)cc1 |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(cc1)[N+]([O-])=O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(N)c1 |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(O)ccc1O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Br)ccc1O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1O |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCC(=O)N\N=C\c1ccco1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCC(=O)N\N=C\c1cccs1 |r|
Oc1ccc(Cl)cc1\C=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r|
CCN(CC)c1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 |r|
COc1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 |r|
CCOc1cccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1O |r|
Oc1ccc(Cl)cc1\C=N\NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O |r|
C\C(=N/NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(N)c1O |r|
Oc1ccc(Br)cc1\C=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r|
CCN(CC)c1ccc(\C=N\NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(O)=O |r|
Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
COc1ccc(CC2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)cc1OC
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(O)c(O)c2)C1=O
Oc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C#N)cc1O
Oc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(Br)cc2)cc1O
COc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)cc1OC
COc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(OC)c1OC
COc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)cc1O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)ccc1O
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc3ccccc3[nH]2)C1=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc3ccccc3[nH]2)C1=O
CCc1ccc(cc1)N1C(=O)NC(=O)\C(=C/c2cc3ccccc3[nH]2)C1=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cccc(O)c2)C1=O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)cc(OC)c1O
Oc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)cc1O
COc1ccc(cc1)N1C(=O)NC(=O)\C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O
COc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(c1)-c1ccccc1 |r|
CC(C)(C)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Ic1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Fc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1F |r|
N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r|
Nc1nnc(NCc2c(Cl)cccc2Oc2ccccc2)[nH]1
Cc1ccc(cc1)-c1ncc(OCC2CCNC2)cc1-c1ccc(cc1)C#N
C(N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1cccnc1 |r|
COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Brc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Brc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Fc1cc(Br)ccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Fc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Fc1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
[O-][N+](=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)o1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
CN(C)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Clc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Clc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Clc1cc(Cl)cc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
CCc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
[O-][N+](=O)c1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
[O-][N+](=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
[O-][N+](=O)c1cc(CN[C@H]2C[C@@H]2c2ccccc2)ccc1Cl |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 |r|
Brc1ccc(COc2cccc(CN[C@H]3C[C@@H]3c3ccccc3)c2)cc1 |r|
Cn1c(CN[C@H]2C[C@@H]2c2ccccc2)cc2ccccc12 |r|
NC(=O)c1cccc(CN[C@H]2C[C@@H]2c2ccccc2)c1 |r|
CNS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
NC(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
COc1ncccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
COc1ccccc1CN[C@H]1C[C@@H]1c1ccccc1 |r|
Brc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Fc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
CC(=O)Nc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Cc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1Cl |r|
[O-][N+](=O)c1cccc(CN[C@@H]2C[C@H]2c2ccccc2)c1 |r|
C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(OCc2ccccc2)c1 |r|
Brc1ccc(COc2ccc(CN[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 |r|
COc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1OC |r|
[O-][N+](=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)s1 |r|
NS(=O)(=O)c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(cc1)C(=O)N(C)CCN(C)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCNC(=O)c2ccc(O)c3ncccc23)cc1
COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
COC(=O)c1ccnc(c1)-c1cc(ccn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1N
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCNC(=O)c2ccc(O)c3ncccc23)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
N[C@H]1C[C@@H]1c1ccc(NC(=O)CCCCCNC(=O)c2ccc(O)c3ncccc23)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@@H](N)C1 |r|
Nc1ccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)cc1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)c1
Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)c1
Nc1ccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)cc1
N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
N\C(=N/O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
Nc1ccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)cc1
N\C(=N/O)c1ccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)cc1
Nc1cccc(\C=C\c2ccc(O)c(c2)-c2cc(O)ccn2)c1
Nc1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Oc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Nc1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
[#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]
COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
[#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6@@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
[#6]-[#8]-c1ccc(cc1)-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]-[#6@@H]-1-[#8]-[#6@@H](-[#6])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1
COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 |r|
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 |r|
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
COCc1cccc(NC(=O)\C=C\c2ccc(O)c(OC)c2)c1
COc1cc(\C=C\C(=O)Nc2ccc(O)cc2)ccc1O
Fc1ccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc1
Oc1ccccc1C=CC(=O)Nc1cccc(OCC2CCNCC2)c1
Cc1ccc(cc1)-c1cc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)ccc1O
Oc1ccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc1
O=C(Nc1cccc(OCC2CCNCC2)c1)C=Cc1ccc(cc1)C#N
Brc1cccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)c1
COc1cc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc(OC)c1OC
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
COc1cc(C=CC(=O)Nc2cccc(COc3ccc(OC4CCNCC4)cc3)c2)ccc1O
COc1cc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CCC(=O)NO)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CC(=O)NO)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CC(=O)NN)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(NC(N)=N)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NO)ccc1O
COc1cc(\C=C\C(=O)Nc2ccccc2O)ccc1O
COc1cc(\C=C\C(=O)Nc2ccccc2F)ccc1O
COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CCC(=O)NN)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(cc2)C(N)=O)ccc1O
Oc1cccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)c1
FC(F)(F)c1cccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)c1
COc1cc(C=CC(=O)Nc2ccccc2COc2ccc(OC3CCNCC3)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CCC(O)=O)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(CC(N)=O)cc2)ccc1O
COc1cc(\C=C\C(=O)Nc2ccc(N)cc2)ccc1O
COC(=O)Cc1ccc(NC(=O)\C=C\c2ccc(OC(C)=O)c(OC)c2)cc1
COc1cc(\C=C\C(=O)Nc2cccc(N)c2)ccc1O
COc1ccc(C=CC(=O)Nc2cccc(OCC3CCNCC3)c2)cc1OC
OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12|
CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC
CCCn1c(S)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2cccc(F)c2)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCC(=O)Nc2ccc(cc2Cl)[N+]([O-])=O)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2ccc(cc2)C(C)(C)C)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2cccc(C)c2)nc2n(C)c(=O)[nH]c(=O)c12
CCCn1c(SCc2ccc(F)cc2)nc2n(C)c(=O)[nH]c(=O)c12
NC(=O)c1ccc(nc1)N1CCC(Cc2nnc(CO)n2-c2ccccc2)CC1
Cc1cc(nc2[nH][nH]c(=O)c12)C(=O)N1CCC(Cc2cccc(c2)C(N)=O)C1
CN(Cc1ccc(cc1)-c1nc(C)c(F)c(=O)[nH]1)Cc1cccc2cnccc12
O=C(CCC1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12
CCOC(=O)c1c(CO)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Cc1ccc(o1)C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12
Cc1ccc(NC(=O)CCC(=O)c2c[nH]c3ccccc23)cc1
Clc1ccc(cc1)C1CN(N=C1c1ccco1)c1ccccc1 |c:11|
Clc1ccccc1C1=NN=C(C1)C1CCN(CC1)C(=O)CCn1cncn1 |c:10,t:8|
[O-][N+](=O)c1ccc2N(CN3CCC(Cc4ccccc4)CC3)C(=O)C(=O)c2c1
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCC1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC1CCN(CC1)c1ncnc2sc(CC(F)(F)F)cc12 |r|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:4.7,23.25,1.0,wD:25.29,(8.89,-11.32,;10.38,-11.72,;11.71,-12.48,;13.05,-11.72,;13.05,-10.18,;11.72,-9.41,;10.39,-10.18,;14.38,-9.41,;14.38,-7.87,;13.05,-7.1,;13.05,-5.56,;14.38,-4.79,;15.71,-5.55,;17.19,-5.07,;18.09,-6.32,;19.63,-6.32,;20.4,-4.99,;21.1,-3.78,;21.99,-4.73,;19.84,-3.49,;17.19,-7.58,;15.71,-7.1,;9.04,-12.48,;9.04,-14.02,;8.27,-15.36,;9.81,-15.37,;11.13,-16.14,;11.12,-17.68,;12.45,-18.45,;13.78,-17.69,;13.79,-16.14,;12.46,-15.37,)|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:4.7,23.25,wD:25.29,1.0,(27.01,-33.63,;28.5,-34.03,;29.83,-34.8,;31.17,-34.03,;31.17,-32.49,;29.84,-31.72,;28.51,-32.49,;32.5,-31.72,;32.5,-30.18,;31.17,-29.41,;31.17,-27.87,;32.5,-27.1,;33.84,-27.86,;35.31,-27.38,;36.22,-28.64,;37.75,-28.64,;38.52,-27.3,;39.23,-26.09,;40.11,-27.04,;37.96,-25.8,;35.31,-29.89,;33.84,-29.41,;27.17,-34.79,;27.17,-36.33,;26.39,-37.67,;27.93,-37.68,;29.25,-38.45,;29.24,-39.99,;30.57,-40.76,;31.91,-40,;31.91,-38.45,;30.58,-37.69,)|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:4.7,25.29,wD:23.25,1.0,(45.13,-11.67,;46.62,-12.08,;47.95,-12.84,;49.29,-12.08,;49.29,-10.53,;47.96,-9.77,;46.63,-10.54,;50.62,-9.76,;50.62,-8.22,;49.29,-7.45,;49.29,-5.92,;50.62,-5.15,;51.96,-5.91,;53.43,-5.43,;54.33,-6.68,;55.87,-6.68,;56.64,-5.35,;57.34,-4.14,;58.23,-5.09,;56.08,-3.84,;53.43,-7.94,;51.96,-7.45,;45.29,-12.84,;45.29,-14.38,;44.51,-15.71,;46.05,-15.72,;47.37,-16.49,;47.36,-18.04,;48.69,-18.81,;50.02,-18.05,;50.03,-16.5,;48.7,-15.73,)|
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r,wU:4.7,23.25,wD:25.29,1.0,(47.64,-31.55,;49.12,-31.95,;50.46,-32.71,;51.8,-31.95,;51.79,-30.41,;50.46,-29.64,;49.14,-30.41,;53.13,-29.64,;53.13,-28.1,;51.79,-27.33,;51.8,-25.79,;53.12,-25.02,;54.46,-25.78,;55.93,-25.3,;56.84,-26.55,;58.38,-26.55,;59.15,-25.22,;59.85,-24.01,;60.74,-24.96,;58.59,-23.72,;55.94,-27.81,;54.46,-27.33,;47.79,-32.71,;47.79,-34.25,;47.02,-35.59,;48.56,-35.6,;49.87,-36.37,;49.87,-37.91,;51.2,-38.68,;52.53,-37.92,;53.86,-38.7,;52.53,-36.37,;53.87,-35.6,;51.21,-35.6,)|
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,16.15,wD:10.9,18.19,(22.9,-3.07,;22.2,-4.28,;23.79,-4.02,;21.63,-2.78,;21.43,-5.62,;19.89,-5.62,;18.98,-6.87,;17.51,-6.39,;16.18,-7.16,;16.18,-8.7,;14.84,-9.47,;13.51,-8.7,;12.18,-9.47,;12.17,-11.01,;10.84,-11.78,;9.51,-11,;8.17,-11.77,;6.63,-11.77,;7.39,-13.1,;7.39,-14.64,;6.05,-15.4,;6.05,-16.94,;7.38,-17.72,;8.72,-16.94,;8.72,-15.41,;13.51,-11.78,;14.85,-11.01,;14.84,-6.39,;14.84,-4.85,;16.17,-4.08,;17.51,-4.84,;18.98,-4.36,)|
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,18.19,wD:10.9,16.15,(24.01,-13.97,;23.31,-15.18,;24.9,-14.92,;22.75,-13.68,;22.54,-16.52,;21,-16.52,;20.1,-17.78,;18.62,-17.29,;17.29,-18.06,;17.29,-19.6,;15.96,-20.37,;14.62,-19.61,;13.3,-20.37,;13.28,-21.91,;11.95,-22.68,;10.62,-21.91,;9.28,-22.67,;7.74,-22.67,;8.5,-24.01,;8.5,-25.54,;7.16,-26.31,;7.16,-27.84,;8.49,-28.62,;9.83,-27.85,;9.83,-26.31,;14.62,-22.68,;15.96,-21.92,;15.95,-17.29,;15.96,-15.75,;17.28,-14.98,;18.62,-15.74,;20.09,-15.27,)|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:4.7,25.29,1.0,wD:23.25,(9.54,-31.9,;11.02,-32.3,;12.36,-33.07,;13.7,-32.31,;13.69,-30.76,;12.36,-30,;11.03,-30.76,;15.03,-29.99,;15.03,-28.45,;13.69,-27.68,;13.69,-26.14,;15.02,-25.37,;16.36,-26.13,;17.83,-25.66,;18.74,-26.91,;20.28,-26.91,;21.05,-25.57,;21.75,-24.36,;22.64,-25.31,;20.48,-24.07,;17.83,-28.17,;16.36,-27.68,;9.69,-33.07,;9.69,-34.61,;8.92,-35.94,;10.45,-35.95,;11.77,-36.72,;11.77,-38.27,;13.09,-39.04,;14.43,-38.28,;14.43,-36.73,;13.1,-35.96,)|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
FC(F)(F)Cc1cc2c(ncnc2s1)N1CCC(CN[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r,wU:4.7,23.25,1.0,wD:25.29,(28.47,-10.27,;29.95,-10.68,;31.29,-11.44,;32.63,-10.68,;32.62,-9.13,;31.29,-8.37,;29.96,-9.14,;33.96,-8.36,;33.96,-6.82,;32.62,-6.05,;32.62,-4.52,;33.95,-3.75,;35.29,-4.51,;36.76,-4.03,;37.67,-5.28,;39.21,-5.28,;39.98,-3.95,;40.68,-2.74,;41.57,-3.69,;39.41,-2.44,;36.76,-6.54,;35.29,-6.05,;28.62,-11.44,;28.62,-12.98,;27.85,-14.32,;29.38,-14.32,;30.7,-15.1,;30.7,-16.64,;32.02,-17.41,;33.36,-16.65,;34.69,-17.42,;33.36,-15.1,;34.7,-14.33,;32.03,-14.33,)|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12 |r,wU:13.14,10.12,wD:16.21,8.8,(9.47,-44.07,;9.47,-42.53,;8.14,-41.76,;8.14,-40.22,;9.48,-39.45,;10.81,-40.22,;10.81,-41.76,;12.14,-42.53,;9.48,-37.92,;8.72,-36.58,;10.26,-36.58,;11.6,-35.82,;12.93,-36.59,;14.26,-35.83,;14.28,-34.29,;15.6,-33.52,;16.94,-34.28,;16.94,-35.83,;15.6,-36.59,;18.27,-33.51,;18.27,-31.97,;16.93,-31.2,;16.94,-29.67,;18.26,-28.9,;19.6,-29.66,;21.07,-29.18,;21.98,-30.43,;23.52,-30.43,;24.29,-29.1,;24.99,-27.89,;25.88,-28.84,;23.72,-27.59,;21.07,-31.69,;19.6,-31.2,)|
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(cc4)[N+]([O-])=O)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCC#C)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ncnn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(nc3ncnn23)-c2ccccc2)cc1
CN1CCN(CC1)c1ccc(Nc2c3CCCc3nc3ncnn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCCc4ccccc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCCCc4ccccc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3nc(SCc4ccc(Cl)cc4)nn23)cc1
CCCCCc1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1Nc1ccc(cc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(F)cc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccccc4Br)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4cccc(Br)c4)nn23)cc1
COc1ccc(CSc2nc3nc(C)cc(Nc4ccc(cc4)N4CCN(C)CC4)n3n2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(Cl)c(F)c4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(F)c(Cl)c4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(C)cc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(cc4)C(F)(F)F)nn23)cc1
CCCSc1nc2nc(C)cc(Nc3ccc(cc3)N3CCN(C)CC3)n2n1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4nc5ccccc5[nH]4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4csc5ccc(Cl)cc45)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCC=C)nn23)cc1
CCc1cc(Nc2ccc(cc2)N2CCN(C)CC2)n2ncnc2n1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(Br)cc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCC4CC4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccccc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccc(Cl)cc4)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4ccccc4[N+]([O-])=O)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCc4c(Cl)cccc4Cl)nn23)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3nc(SCC4CCCCC4)nn23)cc1
OC(C1COC(=O)C1=C)c1cn(CC2CC2)c2ccc(Cl)cc12
COc1ccc2c(cn(Cc3ccc(Cl)cc3)c2c1)C(O)C1COC(=O)C1=C
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12
O\N=C(\c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)c1ccccc1
Fc1ccc(Cn2cc(C(=O)c3ccco3)c3cc(Cl)ccc23)cc1
OC(C1COC(=O)C1=C)c1cn(Cc2ccccc2)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccccc2F)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2cnc(Cl)s2)c2ccc(Cl)cc12
Nc1nc(Cn2cc(C(O)C3COC(=O)C3=C)c3cc(Cl)ccc23)cs1
OC(C1COC(=O)C1=C)c1cn(Cc2ccncc2)c2ccc(Cl)cc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)nc2)c2ccc(Cl)cc12
COCCCOc1ccnc(Cn2cc(C(O)C3COC(=O)C3=C)c3cc(Cl)ccc23)c1C
Cc1nc(Cn2cc(C(O)C3COC(=O)C3=C)c3cc(Cl)ccc23)nc2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2nc3ccccc3o2)c2ccc(Cl)cc12
Cc1ccsc1C(=O)n1cc(C(O)C2COC(=O)C2=C)c2cc(Cl)ccc12
OC(C1COC(=O)C1=C)c1cn(C(=O)c2ccco2)c2ccc(Cl)cc12
Cc1noc(C)c1C(=O)n1cc(C(O)C2COC(=O)C2=C)c2cc(Cl)ccc12
OC(C1COC(=O)C1=C)c1cn(C(=O)C2CC2)c2ccc(Cl)cc12
COc1cccc2n(Cc3ccc(Cl)cc3)cc(C(O)C3COC(=O)C3=C)c12
COc1cccc2c(cn(Cc3ccc(Cl)cc3)c12)C(O)C1COC(=O)C1=C
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2cccc(Cl)c12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2ccc(F)cc12
CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12
Fc1ccc(Cn2cc(C(=O)c3ccccc3)c3cc(Cl)ccc23)cc1
Fc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c3cc(Cl)ccc23)cc1
Fc1ccc(Cn2cc(C(=O)c3ccncc3)c3cc(Cl)ccc23)cc1
Fc1ccc(Cn2cc(C(=O)c3ccnc(Cl)c3)c3cc(Cl)ccc23)cc1
Fc1ccc(Cn2cc(C(=O)\C=C\c3ccco3)c3cc(Cl)ccc23)cc1
OC(c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12)c1ccccc1
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cn2)c2ccc(Cl)cc12
OC(C1COC(=O)C1=C)c1cn(Cc2nc3ccccc3[nH]2)c2ccc(Cl)cc12
Cc1ccc(cc1)S(=O)(=O)n1cc(C(O)C2COC(=O)C2=C)c2cc(Cl)ccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(F)cc2)c2ccccc12
Cc1cncc(Cn2cc(C(O)C3COC(=O)C3=C)c3cc(Cl)ccc23)c1
OC(C1COC(=O)C1=C)c1cn(C(=O)\C=C\c2ccccc2)c2ccc(Cl)cc12
Fc1ccc(Cn2cc(C(=O)C3CC3)c3cc(Cl)ccc23)cc1
OC(C1COC(=O)C1=C)c1cn(Cc2ccccc2C(F)(F)F)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)s2)c2ccc(Cl)cc12
Cc1noc(C)c1Cn1cc(C(O)C2COC(=O)C2=C)c2cc(Cl)ccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ncccn2)c2ccc(Cl)cc12
OC(C1COC(=O)C1=C)c1cn(Cc2nc3ccccc3s2)c2ccc(Cl)cc12
OC(C1COC(=O)C1=C)c1cn(C(=O)c2cccnc2Cl)c2ccc(Cl)cc12
COc1ccc2n(Cc3ccc(Cl)cc3)cc(C(O)C3COC(=O)C3=C)c2c1
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2cc(Cl)ccc12
CC1=CCSC1C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 |t:1|
Cc1ccc(cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12
Fc1ccc(Cn2cc(C(=O)\C=C\c3cccs3)c3cc(Cl)ccc23)cc1
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)nc2)c2ccccc12
OC(C1COC(=O)C1=C)c1cn(Cc2ccc(Cl)cc2)c2c(Cl)cccc12
Cc1cc(NN)n2nc(SCc3ccccc3C(F)(F)F)nc2n1
Cc1cc(NN)n2nc(SCC(=O)c3ccccc3)nc2n1
CNCCN(C)c1cc(C)nc2nc(SCc3ccccc3)nn12
Cc1cc(NN)n2ncnc2n1
NNc1c2CCCc2nc2nc(SCc3ccccc3)nn12
Cc1cc(NN)n2nc(SCCCc3ccccc3)nc2n1
Cc1cc(NN)n2nc(SCc3cccc(c3)C(F)(F)F)nc2n1
Cc1cc(NN)n2nc(SCc3ccc(cc3)C(F)(F)F)nc2n1
COc1ccc(CSc2nc3nc(C)cc(NN)n3n2)cc1
Cc1cc(NN)n2nc(SCc3ccc(cc3)[N+]([O-])=O)nc2n1
Cc1cc(NN)n2nc(SCc3ccc(Cl)cc3)nc2n1
Cc1cc(NN)n2nc(SCc3ccc(F)cc3)nc2n1
Cc1cc(NN)n2nc(SCc3cccc4ccccc34)nc2n1
Cc1cc(NN)n2nc(SCC=C)nc2n1
CCCSc1nc2nc(C)cc(NN)n2n1
Cc1cc(N2CCCC(C2)NC(=O)OC(C)(C)C)n2nc(SCc3ccccc3)nc2n1
CN(C)CCN(C)c1cc(C)nc2nc(SCc3ccccc3)nn12
Cc1cc(NCCOCCOCCN)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NN)n2nc(SCC#C)nc2n1
NNc1cc(nc2nc(SCc3ccccc3)nn12)-c1ccccc1
Cc1cc(NN)n2nc(SCc3c(Cl)cccc3Cl)nc2n1
Cc1cc(NN)n2nc(SCc3csc4ccc(Cl)cc34)nc2n1
Cc1cc(NN)n2nc(SCCc3ccccc3)nc2n1
CC(C)c1cc(NN)n2nc(SCc3ccccc3)nc2n1
Cc1ccc(CSc2nc3nc(C)cc(NN)n3n2)cc1
Cc1cc(NN)n2nc(SCc3ccccc3Br)nc2n1
Cc1cc(NN)n2nc(SCC3CC3)nc2n1
Cc1cc(N2CCCC(N)C2)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NCCN)n2nc(SCc3ccccc3)nc2n1
Cc1cc(NN)n2nc(SCc3ccccc3)nc2n1
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CCCCC3)c12
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CCCCC3)c12
CCCCNS(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)C(=O)NC3CCCC3)c12
CNS(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)c12
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
CNS(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CC3)c12
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
CN1CCCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CCCC3)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CCCCC3)c12
COc1ccc(OC)c(NS(=O)(=O)c2cccc(c2)C(=O)N\N=C2/CCc3c2c(O)ccc3Cl)c1
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CC3)c12
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)C(=O)NC3CCCC3)c12
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)C(=O)NC3CCCCC3)c12
CN(C(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12)c1ccccc1
CCCCNC(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)C(=O)Nc3ccccc3)c12
CN(C(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl)c1ccccc1
CCCCNC(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)c12
Oc1cccc2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CCCC3)c12
CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
COc1ccc(OC)c(NS(=O)(=O)c2ccc(cc2)C(=O)N\N=C2/CCc3cccc(O)c23)c1
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)c12
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
CNS(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
COc1ccc(OC)c(NS(=O)(=O)c2ccc(cc2)C(=O)N\N=C2/CCc3c2c(O)ccc3Cl)c1
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CC3)c12
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)Nc3ccccc3)c12
CCN(CC)C(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1cccc2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CC3)c12
CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)NC3CCCC3)c12
CNS(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)C(=O)N3CCOCC3)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)C(=O)N3CCOCC3)c12
CCCCNS(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
CCCCNS(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
CN1CCCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
COc1ccc(OC)c(NS(=O)(=O)c2cccc(c2)C(=O)N\N=C2/CCc3cccc(O)c23)c1
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)Nc3ccccc3)c12
CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)C(=O)Nc3ccccc3)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)C(=O)NC3CCCCC3)c12
CCN(CC)C(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Oc1cccc2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CCCCC3)c12
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3ccc(cc3)S(=O)(=O)NC3CCCC3)c12
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
CCCCNS(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N\N=C1/CCc2cccc(O)c12
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)n1ccc(\C=C\C(=O)Nc2ccccc2N)c1
CCc1cn(C)c(n1)-c1cc2sccc2n1C
CCc1cn(CCOc2ccccc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCNCC2)cc1)C1CCC1
Cn1c(cc2sccc12)-c1nc(cn1CCOc1ccc(OC2CCCNCC2)cc1)C1CCC1
Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNCC2)cc1)C1CCC1
Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OCC2CCNC2)cc1)C1CCC1
Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1
Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCCNCC2)cc1)C1CCC1
CCc1cn(CCOc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCc1cn(CCCc2ccc(OCC3CCNC3)cc2)c(n1)-c1cc2sccc2n1C
CCc1cn(CCCc2ccc(OC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
CCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Cn1c(cc2sccc12)-c1nc(c[nH]1)C1CCC1
Cn1c(cc2sccc12)-c1nc(c[nH]1)C1CC1
CC(C)c1c[nH]c(n1)-c1cc2sccc2n1C
CCCc1c[nH]c(n1)-c1cc2sccc2n1C
CCc1c[nH]c(n1)-c1cc2sccc2n1C
Cn1c(cc2sccc12)-c1nc2ccccc2[nH]1
Cn1c(cc2sccc12)-c1nc(c[nH]1)-c1ccccc1
Cn1c(cc2sccc12)-c1nnc([nH]1)-c1ccccc1
Cn1c(cc2sccc12)-c1ncc(o1)-c1ccccc1
Cn1c(cc2sccc12)-c1nnc(o1)-c1ccccc1
Cn1c(cc2sccc12)C(=O)Cc1ccccc1
Cn1c(NC(=O)c2ccccc2)cc2sccc12
Cn1c(cc2sccc12)C(=O)Nc1ccccc1
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1ccccc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cccc(O)c1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1ccc(O)cc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cc(O)ccc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1ccc(O)c(O)c1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cccc(F)c1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cc(F)ccc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1c(O)cccc1F
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cc(Cl)ccc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1c(O)cccc1Cl
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cc(Cl)cc(Cl)c1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cccc(Br)c1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1ccc(Br)cc1O
Cc1c(oc2cccc(O)c12)C(=O)N\N=C/c1cc(C)ccc1O
CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)S(C)(=O)=O |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C(C)=O |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CC(F)F)C2 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(C2)C1COC1 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CNC2)C1 |r|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCN(CCO)CC1 |r|
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(CC)=C\c1ccccc1)NCCC(O)=O |r,wU:9.9,4.4,wD:11.13,1.0,(16.27,-1.08,;16.27,-2.62,;16.27,-4.16,;14.94,-4.92,;13.61,-4.16,;13.61,-5.7,;13.61,-2.62,;14.94,-1.84,;12.27,-4.92,;10.94,-4.16,;10.17,-2.82,;9.4,-4.16,;8.06,-4.92,;8.06,-6.46,;9.4,-7.24,;6.73,-4.16,;5.4,-4.92,;4.06,-4.15,;2.74,-4.93,;2.74,-6.46,;4.07,-7.23,;5.4,-6.46,;17.61,-1.84,;18.94,-2.62,;20.27,-1.84,;21.6,-2.62,;22.94,-1.84,;21.6,-4.16,)|
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(CC)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(70.57,-28.79,;70.57,-30.33,;70.57,-31.87,;69.24,-32.64,;67.91,-31.87,;67.91,-33.41,;67.91,-30.33,;69.24,-29.56,;66.58,-32.64,;65.24,-31.87,;64.47,-30.54,;63.7,-31.87,;62.37,-32.64,;62.37,-34.18,;63.7,-34.95,;61.03,-31.87,;59.7,-32.64,;58.36,-31.87,;57.04,-32.65,;57.04,-34.18,;58.37,-34.95,;59.7,-34.18,;71.91,-29.56,;73.24,-30.33,;74.57,-29.56,;75.91,-30.33,)|
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCC(O)=O |r,wU:4.4,9.9,wD:1.0,11.13,(69.17,-17.5,;69.17,-19.04,;69.17,-20.58,;67.84,-21.35,;66.5,-20.58,;66.5,-22.11,;66.5,-19.04,;67.83,-18.27,;65.16,-21.35,;63.83,-20.58,;63.07,-19.24,;62.3,-20.58,;60.96,-21.35,;60.96,-22.89,;59.63,-20.58,;58.3,-21.35,;56.96,-20.58,;55.63,-21.35,;55.63,-22.88,;56.96,-23.66,;58.3,-22.89,;70.5,-18.27,;71.84,-19.04,;73.17,-18.27,;74.5,-19.04,;75.84,-18.27,;74.5,-20.58,)|
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(68.49,-7.91,;68.49,-9.45,;68.49,-11,;67.16,-11.76,;65.83,-11,;65.83,-12.54,;65.83,-9.45,;67.16,-8.68,;64.5,-11.76,;63.16,-11,;62.39,-9.66,;61.62,-11,;60.29,-11.76,;60.29,-13.3,;58.95,-11,;57.62,-11.76,;56.28,-10.99,;54.96,-11.77,;54.96,-13.3,;56.3,-14.07,;57.62,-13.3,;69.83,-8.68,;71.16,-9.45,;72.5,-8.68,;73.83,-9.45,)|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1 |r|
[H][C@]1(O)CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1 |r,wU:5.5,10.10,wD:1.0,12.14,(43.31,-17.29,;43.31,-18.83,;44.64,-18.05,;43.31,-20.37,;41.98,-21.13,;40.64,-20.37,;40.64,-21.91,;40.64,-18.83,;41.98,-18.05,;39.31,-21.13,;37.98,-20.37,;37.21,-19.03,;36.44,-20.37,;35.11,-21.13,;35.11,-22.67,;33.77,-20.37,;32.44,-21.13,;31.1,-20.36,;29.77,-21.14,;29.77,-22.67,;31.11,-23.44,;32.44,-22.67,)|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NCc1cnc[nH]1 |r|
[H][C@@]1(CC[C@@]([H])(CC1)NC(C)=O)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1 |r,wU:1.0,13.13,wD:4.4,15.17,(13.39,-34.11,;13.39,-32.57,;14.72,-33.34,;16.06,-32.57,;16.06,-31.03,;16.06,-29.49,;14.72,-30.26,;13.39,-31.03,;17.39,-30.26,;18.72,-31.03,;20.06,-30.26,;18.72,-32.57,;12.06,-33.34,;10.72,-32.57,;9.96,-31.24,;9.19,-32.57,;7.85,-33.34,;7.85,-34.88,;6.52,-32.57,;5.19,-33.34,;3.85,-32.57,;2.53,-33.35,;2.53,-34.88,;3.86,-35.65,;5.19,-34.88,)|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CNC1 |r|
[H][C@]1(N)CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1 |r,wU:10.10,5.5,wD:12.14,1.0,(15.91,-8.46,;15.91,-10,;17.24,-9.23,;15.91,-11.54,;14.58,-12.31,;13.24,-11.54,;13.24,-13.08,;13.24,-10,;14.58,-9.23,;11.91,-12.31,;10.58,-11.54,;9.82,-10.2,;9.04,-11.54,;7.71,-12.31,;7.71,-13.85,;6.38,-11.54,;5.05,-12.31,;3.7,-11.53,;2.38,-12.31,;2.38,-13.84,;3.71,-14.61,;5.05,-13.85,)|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1 |r|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1NCC1CCNCC1 |r|
C(NC1CC1\C=C\c1ccccc1)C1CCNCC1
NC1CC1C1=CCCCC1 |t:5|
NC1CC1C1=Cc2ccccc2CC1 |t:5|
CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1N |r|
C\C(=C/c1ccccc1)[C@@H]1C[C@H]1N |r|
C\C(=C/C1CC1N)c1ccccc1
NC1CC1\C=C/c1ccccc1
NC1CC1\C=C\c1ccccc1
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1NCc1ccccc1 |r|
NC(=S)NNc1nc(SCC#C)nc(-c2cccs2)c1C#N
Clc1ccccc1Cn1nnc2c(Sc3cnnn3-c3ccccc3)cc(SCC#C)cc12
OCc1cccc(CC(=O)c2cc3ccccc3[nH]2)c1COc1ccc(OCC2CCNCC2)cc1
COc1ccc(CCCN[C@@H]2CCCC2CN[C@H]2CCC[C@@H]2CNCCCCN[C@@H]2CCC[C@H]2CN)cc1 |r|
Cn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1cc(C(=O)Nc2cccc3CCCN(Cc4ccc(OC5CCNCC5)cc4)c23)c2ccccc12
Cn1ccc2cccc(C(=O)Nc3cccc4CCCN(Cc5ccc(OC6CCNCC6)cc5)c34)c12
Cn1ccc2cc(ccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1ccc2c(cccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1ccc2[nH]ccc2c1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cccc2[nH]ccc12
Cn1nc(C(=O)Nc2cccc3CCCN(Cc4ccc(OC5CCNCC5)cc4)c23)c2ccccc12
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1nc2ccccc2[nH]1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1nc2ccccc2s1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cc2ccccc2[nH]1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cc2ccccc2s1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cc2ccccc2o1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1ccc2ccccc2n1
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cnc2ccccc2c1
Cc1ccncc1C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
FC(F)(F)c1ccc(cn1)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Fc1cc(ccc1C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)C(F)(F)F
FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
CN(C)c1cccc(COc2ccc(CN3CCCc4cccc(NC(=O)c5cc6sccc6n5C)c34)cc2)c1
CNc1cccc(COc2ccc(CN3CCCc4cccc(NC(=O)c5cc6sccc6n5C)c34)cc2)c1
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4ccc(N)cc4)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4cccc(c4)C(N)=O)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4ccc(cc4)C(N)=O)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4cccc(c4)[N+]([O-])=O)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4ccc(cc4)[N+]([O-])=O)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4cccc(c4)C#N)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCc4ccc(cc4)C#N)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCC4CCOCC4)cc3)c12
CN(C)CCCOc1ccc(CN2CCCc3cccc(NC(=O)c4cc5sccc5n4C)c23)cc1
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCC4CC[N+](C)(C)CC4)cc3)c12
CN1CCC(COc2ccc(CN3CCCc4cccc(NC(=O)c5cc6sccc6n5C)c34)cc2)CC1
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CC[N+](C)(C)CC4)cc3)c12
CN1CCC(CC1)Oc1ccc(CN2CCCc3cccc(NC(=O)c4cc5sccc5n4C)c23)cc1
CN(C)[C@H]1CC[C@@H](CC1)Oc1ccc(CN2CCCc3cccc(NC(=O)c4cc5sccc5n4C)c23)cc1 |r,wU:3.2,wD:6.9,(65.29,-36.67,;63.96,-35.89,;63.96,-34.35,;62.62,-36.66,;62.61,-38.2,;61.28,-38.96,;59.95,-38.17,;59.95,-36.64,;61.29,-35.88,;58.61,-38.94,;57.28,-38.17,;55.95,-38.94,;54.62,-38.16,;54.62,-36.63,;53.29,-35.85,;53.3,-34.31,;54.64,-33.55,;54.64,-32,;53.3,-31.22,;51.97,-32,;50.63,-31.23,;49.31,-32,;49.3,-33.55,;50.64,-34.32,;50.64,-35.86,;49.31,-36.63,;47.97,-35.86,;49.31,-38.17,;48.08,-39.08,;48.55,-40.55,;48.08,-42.02,;49.33,-42.92,;50.58,-42.01,;50.09,-40.54,;50.57,-39.08,;52.03,-38.6,;51.97,-33.54,;55.95,-35.86,;57.28,-36.62,)|
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCCCN)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OCC4CCNCC4)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(O[C@H]4CC[C@H](N)CC4)cc3)c12 |r,wU:30.32,wD:27.28,(30.26,-22.92,;28.79,-23.4,;27.54,-22.5,;26.3,-23.41,;26.77,-24.87,;26.3,-26.35,;27.56,-27.25,;28.8,-26.34,;28.32,-24.87,;27.53,-20.96,;26.2,-20.19,;28.87,-20.18,;28.86,-18.65,;27.53,-17.88,;27.53,-16.33,;28.86,-15.56,;30.19,-16.33,;31.53,-15.55,;32.86,-16.33,;32.86,-17.87,;31.52,-18.64,;31.52,-20.18,;32.85,-20.95,;32.84,-22.49,;34.17,-23.26,;35.51,-22.5,;36.84,-23.27,;38.17,-22.5,;39.5,-23.28,;40.83,-22.52,;40.84,-20.98,;42.18,-20.22,;39.51,-20.21,;38.17,-20.97,;35.51,-20.95,;34.18,-20.18,;30.19,-17.87,)|
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(O[C@@H]4CC[C@H](N)CC4)cc3)c12 |r,wD:27.28,30.32,(29.5,-9.11,;28.04,-9.59,;26.78,-8.68,;25.55,-9.59,;26.02,-11.06,;25.55,-12.53,;26.8,-13.44,;28.05,-12.52,;27.56,-11.05,;26.78,-7.14,;25.44,-6.38,;28.11,-6.37,;28.11,-4.83,;26.77,-4.06,;26.77,-2.52,;28.1,-1.75,;29.44,-2.51,;30.77,-1.74,;32.11,-2.52,;32.1,-4.06,;30.76,-4.83,;30.76,-6.37,;32.09,-7.14,;32.08,-8.68,;33.41,-9.45,;34.75,-8.68,;36.08,-9.45,;37.42,-8.69,;37.41,-7.16,;38.75,-6.39,;40.09,-7.17,;41.42,-6.41,;40.08,-8.71,;38.75,-9.47,;34.75,-7.14,;33.42,-6.37,;29.43,-4.06,)|
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNC4)cc3)c12
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC[C@@H]4CCNC4)cc3)c12 |r|
Cn1c(cc2sccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC[C@H]4CCNC4)cc3)c12 |r|
CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1 |r|
[H][C@@]1(C[C@@H]1c1ccccc1)N[C@H]1CC[C@H](N)CC1 |r,wU:3.4,14.16,1.0,wD:11.12,(63.32,-20.56,;61.99,-21.34,;61.22,-20,;60.45,-21.34,;59.12,-22.1,;57.79,-21.33,;56.45,-22.1,;56.45,-23.64,;57.8,-24.41,;59.12,-23.63,;63.32,-22.11,;64.66,-21.34,;65.98,-22.12,;67.31,-21.36,;67.32,-19.82,;68.66,-19.05,;65.99,-19.04,;64.65,-19.81,)|
ClCCn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
FCCn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
FC(F)Cn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
FC(F)n1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
O=C(Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12)c1cc2ccccc2n1CC1CC1
CC(C)n1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2ccc(Cl)cc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
COc1ccc2n(C)c(cc2c1)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cn1c(cc2cc(Cl)ccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
Cc1ccc2n(C)c(cc2c1)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
CCCn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
CCn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
[H][C@]12CCN[C@@]1([H])CCN(C2)c1ncc(-c2ccc(C)cc2)c(n1)-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cnc(C[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r|
CCCSc1nc2n(CCNC(=S)Nc3ccccc3Cl)nnc2c(=O)[nH]1
CCCSc1nc2n(CCNC(=S)NCc3ccccc3)nnc2c(=O)[nH]1
CCCSc1nc2n(CCNC(=S)Nc3ccc(OC)cc3)nnc2c(=O)[nH]1
CCCSc1nc2n(CCNC(=S)Nc3cccc4ccccc34)nnc2c(=O)[nH]1
OC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
CN(CC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1)[C@H]1C[C@@H]1c1ccccc1 |r|
ONC(=O)c1cnc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)s1 |r|
ONC(=O)c1coc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)n1 |r|
ONC(=O)c1csc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)n1 |r|
ONC(=O)c1ccc(CCCN2CCc3cc(CN[C@H]4C[C@@H]4c4ccc(F)cc4)ccc3C2)cc1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1NCc1cn2CCN(CCCc3ccc(cc3)C(=O)NO)Cc2n1 |r|
ONC(=O)c1ccc(CCCN2CC(CN[C@H]3C[C@@H]3c3ccccc3)C2)cc1 |r|
ONC(=O)c1ccc(CCN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
CN(C)CCNC(=O)c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)C(=O)N3CCCCC3)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)C(=O)N3CCOCC3)CC2)cc1 |r|
Cc1noc(C)c1-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1 |r|
Cn1cc(cn1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)-c3ccc(nc3)C(F)(F)F)CC2)cc1 |r|
Cn1ccc(cc1=O)-c1ccc(cc1)[C@H]1C[C@@H]1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)-c3ccc(cc3)C#N)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)-c3ccc(F)cc3)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(cc3)-c3ccc(Cl)cc3)CC2)cc1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 |r|
COc1ccc(cc1)[C@H]1C[C@@H]1NCC1CCN(CCCc2ccc(cc2)C(=O)NO)CC1 |r|
ONC(=O)c1ccc(CCCN2CCC(CN[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 |r|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |t:8,TLB:28:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(O)cc1 |t:8,TLB:28:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2cccnc12)c1ccc(O)cc1 |t:8,TLB:28:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)-c1ccccc1)c1ccc(O)cc1 |t:8,TLB:30:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Cc1cc(=O)oc2cc(OS(=O)(=O)C3CC4OC3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)ccc12 |c:19,TLB:10:13:18.19:16,20:19:14.13:16,THB:27:18:14.13:16|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccc(O)cc1 |t:8,TLB:33:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(F)n1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Cl)n1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Br)n1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccnc1Cl)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccnc1Br)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cncc(F)c1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cncc(Cl)c1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cncc(Br)c1)c1ccc(O)cc1 |t:8,TLB:25:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
COC(=O)c1ccccc1NS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |c:21,TLB:11:14:19.20:17,21:20:15.14:17,THB:28:19:15.14:17|
COC(=O)c1ccc(NS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:18,TLB:9:12:17.18:15,19:18:13.12:15,THB:26:17:13.12:15|
CCOC(=O)c1ccc(NS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:19,TLB:10:13:18.19:16,20:19:14.13:16,THB:27:18:14.13:16|
Oc1ccc(cc1)C1=C(C2OC1CC2C(=O)NC1CC1)c1ccc(O)cc1 |t:8,TLB:20:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Cc1cccc(NC(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:15,TLB:7:9:14.15:12,16:15:10.9:12,THB:23:14:10.9:12|
Cc1cccc(NC(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)n1 |c:15,TLB:7:9:14.15:12,16:15:10.9:12,THB:23:14:10.9:12|
Oc1ccc(cc1)C1=C(C2OC1CC2C(=O)NCc1ccc2OCOc2c1)c1ccc(O)cc1 |t:8,TLB:27:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2C(=O)Oc1cccnc1Cl)c1ccc(O)cc1 |t:8,TLB:24:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2C(=O)Oc1cccnc1Br)c1ccc(O)cc1 |t:8,TLB:24:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:8,TLB:24:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
NC1CC1c1ccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 |r|
Clc1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
O=C(NCc1ccccc1)[C@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)NC(=O)c1ccccc1 |r|
O=C(NCc1ccccc1)[C@H](CCCCN[C@H]1C[C@@H]1c1ccccc1)NC(=O)c1ccccc1 |r|
FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCN[C@H]2C[C@@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
N[C@@H]1C[C@H]1c1ccc(cc1)C(=O)NCc1ccccc1 |r|
N[C@H]1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(F)nc1 |r|
N[C@H]1CCN(C1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 |r|
CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1N |r|
CCN(CC)S(=O)(=O)c1ccc(cc1)[C@H]1C[C@@H]1NC(=O)OC(C)(C)C |r|
NC1CC11CCc2ccccc12
COc1ccccc1CNC1CC11CCc2ccccc12
COc1ccc(Br)cc1CNC1CC11CCc2ccccc12
COc1ccc(CNC2CC22CCc3ccccc23)cc1OC
COc1ccc(CNC2CC22CCc3ccccc23)c(Cl)c1OC
Fc1ccccc1CNC1CC11CCc2ccccc12
C(N[C@@H]1C[C@H]1c1ccccc1)c1cn(nn1)-c1ccccc1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccccc1 |r|
COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
COc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
COc1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
COc1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
FC(F)(F)c1cccc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1cccc(c1)C(F)(F)F |r|
FC(F)(F)c1ccc(cc1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1ccc(cc1)C(F)(F)F |r|
COc1ccc(OC)c(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
COc1cc(OC)cc(c1)-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1 |r|
FC(F)(F)c1cc(cc(c1)C(F)(F)F)-n1cc(CN[C@@H]2C[C@H]2c2ccccc2)nn1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cn(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Cc1ccc(cc1)-c1cc2occ(CN3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN3CCC[C@@H](N)C3)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc2occ(CNC3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNC3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N |(21.13,-23.36,;22.46,-22.59,;22.46,-21.05,;23.79,-20.28,;25.13,-21.05,;25.13,-22.58,;23.8,-23.35,;26.45,-20.28,;27.78,-21.05,;29.11,-20.27,;30.58,-20.74,;31.48,-19.5,;30.57,-18.25,;31.04,-16.79,;32.55,-16.46,;33.58,-17.61,;33.1,-19.08,;34.12,-20.22,;35.63,-19.91,;36.66,-21.06,;36.12,-18.44,;35.09,-17.29,;29.11,-18.73,;27.78,-17.97,;26.45,-18.74,;25.13,-17.98,;23.79,-18.75,;22.46,-17.98,;22.46,-16.44,;23.79,-15.67,;25.12,-16.43,;21.13,-15.66,;19.79,-14.89,)|
Cc1ccc(cc1)-c1cc2occ(CNC3CCCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN3CCC(N)C3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CN[C@H]3CC[C@H](N)CC3)c2cc1-c1ccc(cc1)C#N |r,wU:15.15,wD:18.19,(21.83,-37.75,;23.16,-36.98,;23.16,-35.44,;24.49,-34.67,;25.83,-35.44,;25.83,-36.98,;24.5,-37.75,;27.15,-34.68,;28.48,-35.44,;29.81,-34.67,;31.28,-35.14,;32.18,-33.89,;31.27,-32.65,;31.74,-31.18,;33.25,-30.86,;34.28,-32.01,;35.79,-31.68,;36.82,-32.84,;36.33,-34.3,;37.36,-35.45,;34.82,-34.62,;33.8,-33.47,;29.81,-33.13,;28.48,-32.37,;27.15,-33.14,;25.83,-32.37,;24.49,-33.14,;23.16,-32.37,;23.16,-30.83,;24.49,-30.06,;25.82,-30.82,;21.83,-30.05,;20.49,-29.28,)|
Cc1ccc(cc1)-c1cc2occ(CNCCN)c2cc1-c1ccc(cc1)C#N
CNCCN(C)Cc1coc2cc(-c3ccc(C)cc3)c(cc12)-c1ccc(cc1)C#N
CNCCCN(C)Cc1coc2cc(-c3ccc(C)cc3)c(cc12)-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNCCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNCCCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNCCCCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2occ(CNCCCCCCN)c2cc1-c1ccc(cc1)C#N
CN1CCN(Cc2coc3cc(-c4ccc(C)cc4)c(cc23)-c2ccc(cc2)C#N)CC1
CN(CCN)Cc1coc2cc(-c3ccc(cc3)C(F)(F)F)c(cc12)-c1ccc(cc1)C#N
CN(CCCN)Cc1coc2cc(-c3ccc(cc3)C(F)(F)F)c(cc12)-c1ccc(cc1)C#N
NC1CCN(Cc2coc3cc(-c4ccc(cc4)C(F)(F)F)c(cc23)-c2ccc(cc2)C#N)C1
NC1CCN(Cc2coc3cc(-c4cc(F)cc(F)c4)c(cc23)-c2ccc(cc2)C#N)C1
N[C@H]1CCCN(Cc2coc3cc(-c4cccc(c4)[N+]([O-])=O)c(cc23)-c2ccc(cc2)C#N)C1 |r|
CN(CCN)Cc1coc2cc(-c3cccc(c3)[N+]([O-])=O)c(cc12)-c1ccc(cc1)C#N
NC1CCN(Cc2coc3cc(-c4cccc(c4)[N+]([O-])=O)c(cc23)-c2ccc(cc2)C#N)C1
N[C@H]1CCCN(Cc2coc3cc(-c4ccc(cc4)C(F)(F)F)c(cc23)-c2ccc(cc2)C#N)C1 |r|
NC1CCN(Cc2coc3cc(-c4ccc(F)cc4)c(cc23)-c2ccc(cc2)C#N)C1
CN(CCCN)Cc1coc2cc(-c3cccc(c3)[N+]([O-])=O)c(cc12)-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc2c(CNC3CCNC3)coc2cc1-c1ccc2ccccc2c1
Cc1cc(C)cc(c1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
Fc1cccc(c1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc2c(CNC3CCNC3)coc2cc1-c1ccc(cc1)-c1ccccc1
CCc1ccc(cc1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(c(F)c1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc2c(CNC3CCNC3)coc2cc1-c1ccccc1
Cn1ncc2cc(ccc12)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)-c1cc2occ(CNC3CCNC3)c2cc1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cc2c(CNC3CCNC3)coc2cc1-c1cncnc1
COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCc1ccccc1
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC
C#Cc1cccc(Nc2ncnc3ccccc23)c1
Brc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
C#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
COCCOc1cc2ncnc(Nc3ccccc3)c2cc1OCCOC
COCCOc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Nc3ccc4OCOc4c3)c2cc1OCCOC
COCCOc1cc2ncnc(N3CCN(C)CC3)c2cc1OCCOC
COCCOc1cc2ncnc(N3CCN(CC3)C(C)=O)c2cc1OCCOC
COCCOc1cc2ncnc(N3CCN(CC3)c3ccccc3)c2cc1OCCOC
COCCOc1cc2ncnc(N3CCN(CC3)c3ccccc3F)c2cc1OCCOC
COCCOc1cc2ncnc(N3CCOCC3)c2cc1OCCOC
COCCOc1cc2ncnc(Oc3ccc(OC)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Oc3cccc(Cl)c3)c2cc1OCCOC
COCCOc1cc2ncnc(Oc3cccc4ccccc34)c2cc1OCCOC
COCCOc1cc2ncnc(Oc3ccc4ccccc4c3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ccc(Cl)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ccc(C)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ccc(OC)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ccc4ccccc4c3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3ccccn3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nncs3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnc(C)s3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3cncs3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3cncn3C)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3C)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ccccc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(OC)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(Br)cc3)c2cc1OCCOC
COCCOc1cc2ncnc(Sc3nnnn3-c3ccc(Cl)cc3)c2cc1OCCOC
COc1cc2ncnc(Sc3nc[nH]n3)c2cc1OC
S(c1nc[nH]n1)c1ncnc2ccccc12
COc1cc2c(Sc3nc[nH]n3)ncnc2cc1OCc1ccccc1
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
ONC(=O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)cc1
COc1ccccc1-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccc(O)c2)cc1
OCc1cccc(c1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2cccnc2)cc1
Cc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)C(=O)NO)ccn1
ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2ccccc2O)cc1
ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2cccc(O)c2)cc1
ONC(=O)c1ccc(\C=C\c2cccc(c2)-c2cc(F)ccc2O)cc1
ONC(=O)c1ccc(\C=C\c2ccnc(Br)c2)cc1
ONC(=O)c1ccc(\C=C\c2ccncc2)cc1
ONC(=O)c1ccc(\C=C\c2ccnc(c2)-c2ccsc2)cc1
Cc1ccc(c(F)c1)-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1
ONC(=O)c1ccc(\C=C\c2cncc(c2)-c2ccccc2O)cc1
COc1ccc(F)cc1-c1cncc(\C=C\c2ccc(cc2)C(=O)NO)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)CCc2ccc(c3c2[C@@H]([C@H](O3)c4ccc(c(c4)O)O)C(=O)O[C@H](Cc5ccc(c(c5)O)O)C(=O)O)O)O)O
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O
Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4|
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O
COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
NCC(=C/F)[C@H]1Cc2ccccc2O1
Cn1cc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 |r|
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
N[C@H]1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:8.8,1.0,wD:10.12,(29.88,-10.3,;28.55,-11.07,;28.54,-12.61,;27.21,-13.37,;25.88,-12.59,;25.87,-11.06,;27.21,-10.29,;24.55,-13.36,;23.21,-12.59,;22.44,-11.25,;21.67,-12.59,;20.34,-13.35,;19.01,-12.58,;17.68,-13.35,;17.68,-14.89,;19.02,-15.66,;20.35,-14.89,)|
NC1CC1c1ccc(NC(=O)CCCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
NC1CC1c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
CCOC(=O)C(N1CCOCC1)c1cc(OC)c(OC)cc1O
CCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1cc(Cl)c2cccnc2c1O
CC1(C)C(CCC1N[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1 |r|
CN1CCN(CC1)C(=O)NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCCN(C)[C@@H]1C[C@H]1c1ccccc1)NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O |r|
FC(F)(F)c1cccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccccc3)c2C#N)c1
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1 |r|
COc1ccc2c(C)c3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC
[H][C@]12C[C@@](C)(C=C)[C@@H](CC1=C(C)C(=O)O2)C(C)=C |r,t:10|
CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5
COCc1cccc(NC(=O)c2cc3ccccc3n2C)c1COc1ccc(OCC2CCNCC2)cc1
CN(CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1)C1CC1c1ccccc1
CNC(=O)c1cccc(c1)-c1ccc(cc1)C1CC1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1
CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 |r|
CNC(=O)c1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N(C)CCN(C)C(=O)Oc1ccc(CONC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 |r|
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccccc1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccc(F)cc1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccnc(F)c1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cc[nH]n1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cnn(C)c1
COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cscn1
Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCCN2)CC1
Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCNC2)CC1
Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)N2
Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)O2
Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)cc1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|
N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)c(O)c1 |r|
N[C@H]1C[C@@H]1c1ccc(Br)c(O)c1 |r|
N[C@@H]1C[C@@H]1c1ccc(Br)cc1F |r|
N[C@H]1C[C@@H]1c1ccc(Br)cc1F |r|
N[C@@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F |r|
N[C@H]1C[C@@H]1c1ccc(Br)cc1C(F)(F)F |r|
N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|
N[C@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|
N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
N[C@@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|
N[C@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|
N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
Cc1cc(Br)c(F)cc1[C@H]1C[C@H]1N |r|
Cc1cc(Br)c(F)cc1[C@H]1C[C@@H]1N |r|
N[C@@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1 |r|
N[C@H]1C[C@@H]1c1c(F)cc(Br)cc1OCc1ccccc1 |r|
N[C@@H]1C[C@@H]1c1ccccc1F |r|
N[C@H]1C[C@@H]1c1ccccc1F |r|
N[C@@H]1C[C@@H]1c1cc(F)ccc1F |r|
N[C@H]1C[C@@H]1c1cc(F)ccc1F |r|
N[C@@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1 |r|
N[C@H]1C[C@@H]1c1c(F)cccc1OCc1ccccc1 |r|
N[C@@H]1C[C@@H]1c1c(F)c(F)ccc1OCc1ccccc1 |r|
N[C@H]1C[C@@H]1c1c(F)c(F)ccc1OCc1ccccc1 |r|
N[C@@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1 |r|
N[C@H]1C[C@@H]1c1c(F)ccc(F)c1OCc1ccccc1 |r|
N[C@@H]1C[C@@H]1c1ccccc1Oc1ccccc1 |r|
N[C@H]1C[C@@H]1c1ccccc1Oc1ccccc1 |r|
COc1ccc(cc1F)[C@H]1C[C@H]1N |r|
COc1ccc(cc1F)[C@H]1C[C@@H]1N |r|
CCOc1ccc(cc1F)[C@H]1C[C@H]1N |r|
CCOc1ccc(cc1F)[C@H]1C[C@@H]1N |r|
N[C@H]1C[C@@H]1c1ccc(c(F)c1)C(F)(F)F |r|
N[C@@H]1C[C@@H]1c1cc(F)c(Cl)cc1F |r|
N[C@H]1C[C@@H]1c1cc(F)c(Cl)cc1F |r|
COc1cccc(c1)-c1cc(F)c(cc1F)[C@H]1C[C@H]1N |r|
COc1cccc(c1)-c1cc(F)c(cc1F)[C@H]1C[C@@H]1N |r|
CN(CCCOc1cc(NCc2ccc(\C=C\C(=O)NO)cc2)ccc1Cl)CC#C
CN(CCCOc1cc(NCc2ccc(cc2)C(=O)NO)ccc1Cl)CC#C
N[C@H]1CC[C@@H](CC1)NC1CC1c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1 |r,wU:4.7,wD:1.0,(9.26,4.43,;7.93,3.66,;6.59,4.43,;5.26,3.66,;5.26,2.12,;6.59,1.35,;7.93,2.12,;3.93,1.35,;2.59,2.12,;1.82,3.46,;1.05,2.12,;-.28,1.35,;-.28,-.18,;-1.61,-.95,;-2.94,-.19,;-4.4,-.66,;-5.31,.58,;-4.4,1.83,;-2.94,1.35,;-1.61,2.12,;-4.8,-2.15,;-4.4,-3.64,;-3.31,-2.55,;-6.29,-2.55,;-6.69,-4.04,;-8.17,-4.43,;-9.26,-3.34,;-8.87,-1.86,;-7.38,-1.46,)|
N[C@H]1CC[C@H](CNC2CC2c2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)CC1 |r,wU:4.4,wD:1.0,(9.93,-.47,;8.59,.3,;8.59,1.84,;7.26,2.61,;5.93,1.84,;4.59,2.61,;3.26,1.84,;1.92,2.61,;1.15,3.94,;.38,2.61,;-.95,1.84,;-.95,.31,;-2.27,-.46,;-3.6,.3,;-5.07,-.18,;-5.97,1.07,;-5.07,2.32,;-3.6,1.84,;-2.28,2.61,;-5.47,-1.66,;-5.07,-3.15,;-3.98,-2.06,;-6.96,-2.06,;-7.35,-3.55,;-8.84,-3.94,;-9.93,-2.86,;-9.53,-1.37,;-8.05,-.97,;5.93,.3,;7.26,-.47,)|
CCS(=O)(=O)N1CCc2cc(ccc12)C1CC1NCC1CCNCC1
N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
NC1CC1c1ccc(NC(=O)CCCc2ccccc2)cc1
O=C(Nc1nc2ccccc2s1)c1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1 |r|
CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC
C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC
CN(C)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1
OC(=O)c1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F
OC(=O)c1cc(ccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1)C(F)(F)F
OC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(ccc1NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Fc1ccc(-c2nnn[nH]2)c(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1
COc1ccc(-c2nnn[nH]2)c(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1
Clc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cc1-c1nnn[nH]1
COc1ccc(NS(=O)(=O)c2ccc(cc2)C2CCCCC2)c(c1)-c1nnn[nH]1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
CN(C)CCCN1c2ccccc2Sc3c1cccc3
C(CN1CCNCC1)CN1c2ccccc2Sc2ccccc12
CN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
CCN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
C(CN1CCN(CC1)c1ccccc1)CN1c2ccccc2Sc2ccccc12
C(CN1CCN(Cc2ccccc2)CC1)CN1c2ccccc2Sc2ccccc12
C(CN1CCN(Cc2ccc3OCOc3c2)CC1)CN1c2ccccc2Sc2ccccc12
CC(=O)N1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
CC1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
C(CN1CCOCC1)CN1c2ccccc2Sc2ccccc12
C(CN1CCSCC1)CN1c2ccccc2Sc2ccccc12
CN(C)CCNCCCN1c2ccccc2Sc2ccccc12
C(CNCCN1CCOCC1)CN1c2ccccc2Sc2ccccc12
C(CNCCN1CCCCC1)CN1c2ccccc2Sc2ccccc12
C(CNCCCN1c2ccccc2Sc2ccccc12)CN1CCOCC1
C(CSc1ncccn1)CN1c2ccccc2Sc2ccccc12
COC(=O)CSCCCN1c2ccccc2Sc2ccccc12
C(CCN1c2ccccc2Sc2ccccc12)CN1CCOCC1
C(CCN1CCOCC1)CCN1c2ccccc2Sc2ccccc12
C(CN1c2ccccc2Sc2ccccc12)N1CCOCC1
C(CN1c2ccccc2Sc2ccccc12)N1CCNCC1
CN1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
CCN1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
CC(C)N1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
CCCCN1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
C(CN1c2ccccc2Sc2ccccc12)N1CCN(CC1)C1CC1
C(CN1c2ccccc2Sc2ccccc12)N1CCN(Cc2ccccc2)CC1
C(CN1c2ccccc2Sc2ccccc12)N1CCN(CC1)c1ncccn1
CC(=O)N1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
O=C(N1CCN(CCN2c3ccccc3Sc3ccccc23)CC1)c1ccco1
CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
CS(=O)(=O)N1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
CC1CCN(CCN2c3ccccc3Sc3ccccc23)CC1
C(CN1c2ccccc2Sc2ccccc12)N1CCC(CC1)N1CCCCC1
C(CN1c2ccccc2Sc2ccccc12)N1CCSCC1
CN(C)CCN1c2ccccc2Sc2ccccc12
CN1CCN(CCNCCN2c3ccccc3Sc3ccccc23)CC1
C(CN1CCOCC1)NCCN1c2ccccc2Sc2ccccc12
C(CN1c2ccccc2Sc2ccccc12)Sc1ncccn1
C(CN1c2ccccc2Sc2ccccc12)NN1CCOCC1
CC1CN(CCN2c3ccccc3Sc3ccccc23)CCO1
Clc1ccc2Sc3ccccc3N(CCN3CCOCC3)c2c1
FC(F)(F)c1ccc2Sc3ccccc3N(CCN3CCOCC3)c2c1
COc1ccc2Sc3ccccc3N(CCN3CCOCC3)c2c1
CSc1ccc2Sc3ccccc3N(CCN3CCOCC3)c2c1
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3Nc3ccccc3)CC2)cc1 |r|
[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@@]1([H])CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O |r|
COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)C1(CCC1)C(O)=O |r|
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(O)cc2)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccccc2O)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2cccc(O)c2)cc1
COc1ccccc1-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(cc1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(cc2)C(F)(F)F)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(cc2)N2CCOCC2)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(OCCN3CCOCC3)cc2)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(OCc3ccccc3)cc2)cc1
CC(C)(C)OC(=O)N1CCC(COc2ccc(cc2)-c2cc(ccn2)C(=O)NCc2ccc(cc2)C(=O)NO)CC1
CN1CCN(CC1)c1ccc(cc1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1Cl)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(c(C)c1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(c(F)c1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1c(N)cccc1-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cn1)-c1cc(ccn1)C(=O)NCc1ccc(cc1)C(=O)NO
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2cccc(c2)N2CCOCC2)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(N3CCOCC3)c(Cl)c2)cc1
ONC(=O)c1ccc(CNC(=O)c2ccnc(c2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
Cc1ccc(cc1)-c1cc(C(=O)NCc2ccc(cc2)C(=O)NO)c(O)cn1
COc1ccc(cc1)-c1cc(C(=O)NCc2ccc(cc2)C(=O)NO)c(O)cn1
ONC(=O)c1ccc(CNC(=O)c2cc(ncc2O)-c2ccc(cc2)C(F)(F)F)cc1
COc1ccccc1-c1cc(C(=O)NCc2ccc(cc2)C(=O)NO)c(O)cn1
ONC(=O)c1ccc(CNC(=O)c2cncc(c2)-c2ccccc2O)cc1
ONC(=O)c1ccc(CNC(=O)c2cncc(c2)-c2ccc(cc2)C(F)(F)F)cc1
Cc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1)-c1cncc(c1)C(=O)NCc1ccc(cc1)C(=O)NO
ONC(=O)c1ccc(CNC(=O)c2cncc(c2)-c2ccc(cc2)C#N)cc1
Cc1ccc(c(C)c1)-c1cncc(c1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(c(F)c1)-c1cncc(c1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(c(F)c1)-c1cc(cnc1-c1ccc(C)cc1F)C(=O)NCc1ccc(cc1)C(=O)NO
COc1ccc(cc1)-c1cc(cnc1-c1ccc(OC)cc1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(cc1)-c1cc(cnc1-c1ccc(C)cc1)C(=O)NCc1ccc(cc1)C(=O)NO
Cc1ccc(cc1)-c1cc(ccn1)-c1ccn(Cc2ccc(cc2)C(=O)NO)n1
COc1ccc(cc1)-c1cc(ccn1)-c1ccn(Cc2ccc(cc2)C(=O)NO)n1
Cc1ccc(c(F)c1)-c1cc(ccn1)-c1ccn(Cc2ccc(cc2)C(=O)NO)n1
COc1ccc(cc1)-c1cc(ccn1)N1CCN(Cc2ccc(cc2)C(=O)NO)CC1
ONC(=O)c1ccc(CN2CCN(CC2)c2ccnc(c2)-c2ccc(cc2)N2CCOCC2)cc1
COc1ccc(cc1)-c1cc(C(=O)NCc2ccc(cc2)C(=O)NO)c2cc[nH]c2c1
ONC(=O)c1ccc(CNC(=O)c2cc(cc3[nH]ccc23)-c2ccc(cc2)N2CCOCC2)cc1
COc1ccc(cc1)-c1cc(C(=O)NCc2ccc(cc2)C(=O)NO)c2ccccc2n1
ONC(=O)c1ccc(CNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)N2CCOCC2)cc1
COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1
CN(C)CCn1nnnc1Sc1cc(C)nc2nc(SCc3ccc(Cl)cc3)nn12
O=C(Nc1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1)c1ccccc1 |r|
O=C(Nc1ccccc1)c1ccc(cc1)[C@@H]1C[C@H]1NCC1CC1 |r|
NC1CC1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
N[C@@H]1C[C@H]1c1ccc(NC(=O)CCCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 |r|
COc1cc2n(C)c3ccccc3c(=O)c2c(O)c1OC
CCCSc1nc(NCCN)c2nnn(Cc3ccc(Cl)cc3)c2n1
OC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
OC1CCN(CC1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
CN1CCN(CC1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
NC1CCN(CC1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
NCC1CCN(CC1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
NC(=O)C1CCN(CC1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)NCC1CCNCC1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CC2CCCCC2C1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)NC1CC(F)(F)C1 |r|
COCCNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
CCCCNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
NC(=O)CNC(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
Cc1ccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)cc1 |r|
COC(=O)c1cccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)c1 |r|
OC(=O)c1cccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)c1 |r|
CN(Cc1ccccc1)C(=O)c1cccc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CCc2ccccc12 |r|
CN1CCN(CC1)c1ccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)cc1 |r|
CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)cc1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CCN(CC1)c1ccccc1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1 |r|
Fc1ccc(cc1F)[C@@H]1C[C@H]1NCc1cccc(c1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1 |r|
CN1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)c2cccc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)c1 |r|
COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
N(c1ccccc1)c1c2ccccc2nc2ccccc12
C1COc2cc(Nc3c4ccccc4nc4ccccc34)ccc2O1
Cc1ccc2cc(Nc3c4ccccc4nc4ccccc34)ccc2n1
CCn1c2ccccc2c2ccc(Nc3c4ccccc4nc4ccccc34)cc12
C1CCN(CC1)Nc1c2ccccc2nc2ccccc12
Nc1ccc(Oc2c3ccccc3nc3ccccc23)cc1
Nc1ccc(Sc2c3ccccc3nc3ccccc23)cc1
Nc1ccccc1Nc1c2ccccc2nc2ccccc12
Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CSc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
C1CN(CCN1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
C1CN(CCO1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
C(N1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(F)cc1
COc1ccc2nc3ccccc3c(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
CC(C)c1ccc2nc3ccccc3c(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1
COc1ccc2c(Nc3ccc(cc3)N3CCN(C)CC3)c3ccccc3nc2c1
COc1cccc2c(Nc3ccc(cc3)N3CCN(C)CC3)c3ccccc3nc12
CN(C)c1cccc2c(Nc3ccc(cc3)N3CCN(C)CC3)c3ccccc3nc12
CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3cc(C)c(C)cc23)cc1
CN1CCN(CC1)c1ccc(Nc2c3ccc(C)c(C)c3nc3ccc(C)cc23)cc1
COc1ccc(CN(C(=O)CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1O
COc1ccc(CN(C(=O)CSC(=S)N2CCN(CC2)c2ccc(N)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NCC3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC[C@@H](N)C3)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC[C@H](N)C3)c2cc1-c1ccc(cc1)C#N |r|
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(CN)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NC3CCCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NCC3CCNC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NC3CCNCC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NCCCN)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2cc1-c1ccc(cc1)C#N |r,wU:19.20,wD:16.16,(-6.15,-6.47,;-4.82,-5.7,;-3.48,-6.47,;-2.15,-5.7,;-2.15,-4.16,;-3.49,-3.39,;-4.82,-4.17,;-.82,-3.39,;.52,-4.15,;1.85,-3.38,;3.31,-3.86,;4.22,-2.61,;3.31,-1.37,;3.71,.12,;2.62,1.21,;5.2,.52,;5.59,2.01,;7.08,2.4,;7.48,3.89,;6.39,4.98,;6.79,6.47,;4.9,4.58,;4.51,3.09,;1.85,-1.84,;.52,-1.08,;-.82,-1.85,;-2.15,-1.07,;-3.48,-1.84,;-4.81,-1.08,;-4.81,.46,;-3.49,1.23,;-2.15,.47,;-6.15,1.23,;-7.48,2,)|
Cc1ccc(c(F)c1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
COc1ccc(c(F)c1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1c[nH]c2cc(-c3ccc(cc3)C(F)(F)F)c(cc12)-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1c[nH]c2cc(-c3ccoc3)c(cc12)-c1ccc(cc1)C#N
Cc1cc(C)cc(c1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
NC1CCN(CC1)C(=O)c1c[nH]c2cc(-c3cncnc3)c(cc12)-c1ccc(cc1)C#N
CCc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(c(C)c1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1C)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1F)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(C#N)c(F)c1
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)[N+]([O-])=O
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C(N)=O
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(O)cc1
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)S(N)(=O)=O
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1C)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(nc1)C#N
Cc1ccc(cc1)-c1cc2[nH]cc(C(=O)NC3CCNC3)c2cc1-c1ccc(cc1)C(N)=O
Cc1ccc(cc1)-c1cc2n(C)cc(C(=O)NC3CCNCC3)c2cc1-c1ccc(cc1)C(N)=O
Cc1ccc(cc1)-c1cc2n(C)cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2n(Cc3cccc(c3)C#N)cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2n(cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N)S(=O)(=O)c1ccc(F)cc1
Cc1ccc(CS(=O)(=O)n2cc(C(=O)N3CCC(N)CC3)c3cc(-c4ccc(cc4)C#N)c(cc23)-c2ccc(C)cc2)cc1
Cc1ccc(cc1)-c1cc2n(cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2n(Cc3ccc(Cl)cc3)cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(Cn2cc(C(=O)N3CCC(N)CC3)c3cc(-c4ccc(cc4)C#N)c(cc23)-c2ccc(C)cc2)cc1
Cc1ccc(cc1)-c1cc2n(Cc3cccc(Br)c3)cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
Cc1ccc(cc1)-c1cc2n(Cc3ccc(Br)cc3)cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N
CCn1cc(C(=O)N2CCC(N)CC2)c2cc(-c3ccc(cc3)C#N)c(cc12)-c1ccc(C)cc1
CC(C)n1cc(C(=O)N2CCC(N)CC2)c2cc(-c3ccc(cc3)C#N)c(cc12)-c1ccc(C)cc1
Cc1ccc(cc1)-c1cc2n(cc(C(=O)N3CCC(N)CC3)c2cc1-c1ccc(cc1)C#N)C1CC1
CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cc(C(=O)N2CCC(N)CC2)c2cc(-c3ccc(cc3)C#N)c(cc12)-c1ccc(C)cc1
CCCSc1nc(Oc2cccc(CN[C@@H]3C[C@H]3c3ccccc3)c2Cl)c2nnn(Cc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2cccc(CN[C@@H]3C[C@H]3c3ccccc3)c2Br)c2nnn(Cc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2ccc(CN[C@@H]3C[C@H]3c3ccccc3)c(F)c2)c2nnn(Cc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)c(C)c2OC)c2nnn(Cc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(CCc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(CCCc3ccccc3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3cccc(Cl)c3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3ccc(Cl)cc3)c2n1 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccccc3)cc2OC)c2nnn(Cc3ccccc3Cl)c2n1 |r|
COc1cc(CN[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1Oc1nc(SCC#C)nc2n(Cc3ccccc3)nnc12 |r|
CCCSc1nc(Oc2c(OC)cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)cc2OC)c2nnn(Cc3cccc(Cl)c3)c2n1 |r|
COc1cc(CN[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1OC |r|
COc1ccc(\C=N\NC2NC(SCC(C)C)=NC(=C2C#N)c2ccc(OC)cc2)cc1 |c:16,18|
Cc1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CC(C)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CC(=C)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Nc1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
COC(=O)Nc1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CS(=O)(=O)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
CC(C)(O)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
COC(C)(C)c1ccc(cc1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cc1ccc(cc1C)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cc1ccc(cn1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cn1cc(cn1)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1c(ncc2n(CC3CCNCC3)ccc12)-c1ccc2[nH]ncc2c1
Cn1cnc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cn1ccc2cc(cnc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C#N
Cn1ncc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(cc1)C(N)=O
CN1CCOc2cc(ccc12)-c1ncc2n(CC3CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
Cn1ncc2cc(ccc12)-c1ncc2[nH]ccc2c1-c1ccc(cc1)C#N
CCC1(Cn2ccc3c(-c4ccc(cc4)C#N)c(ncc23)-c2ccc3n(C)ncc3c2)CCNCC1
CNC1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(ncc23)-c2ccc3n(C)ncc3c2)CC1 |(7.69,6.26,;8.08,4.77,;6.99,3.68,;5.49,4,;4.46,2.85,;4.93,1.39,;3.9,.24,;2.4,.56,;1.77,1.97,;.24,1.81,;-.08,.3,;-1.42,-.47,;-2.75,.3,;-4.08,-.47,;-5.42,.3,;-5.42,1.84,;-6.75,2.61,;-8.08,3.38,;-4.08,2.61,;-4.08,4.15,;-2.75,1.84,;-1.42,-2.01,;-.08,-2.78,;1.25,-2.01,;1.25,-.47,;-2.75,-2.78,;-2.75,-4.32,;-4.08,-5.09,;-5.42,-4.32,;-6.88,-4.79,;-7.36,-6.26,;-7.79,-3.55,;-6.88,-2.3,;-5.42,-2.78,;-4.08,-2.01,;6.44,1.07,;7.47,2.21,)|
Cn1ncc2cc(ccc12)-c1ncc2n(CC3(C)CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
CN1CCOc2cc(ccc12)-c1ncc2n(CC3(C)CCNCC3)ccc2c1-c1ccc(cc1)C#N
CN1CCOc2cc(ccc12)-c1ncc2n(CC3(C)CCNCC3)ccc2c1-c1ccc(C#N)c(F)c1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSCc2cccc(C[S+](C)CC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(N)=O)c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC[S+](C)Cc2cccc(CSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(N)=O)c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](CSCc2cccc(c2)[S+](C)CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O |r|
NC1CC1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1
Nc1ccccc1NC(=O)c1cccc(CCCC(=O)Nc2ccc(C3CC3N)cc2)c1
COC1=CC(=O)OC(/C=C/c2ccccc2)C1
CN(CCN(C)C1CC1c1ccccc1)C(=O)Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
CN(CCN(C)C1CC1c1ccccc1)C(=O)Oc1ccc(COC(=O)Nc2ccccc2NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)cc1
CCN1CCC(Oc2ccc(OCCc3ccccc3NC(=O)c3cc4sccc4n3C)cc2)CC1
COCc1cccc(NC(=O)c2cc3sccc3n2C)c1CCOc1ccc(OC2CCNCC2)cc1
CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1CCOc1ccc(OC[C@@H]2CCNC2)cc1
Fc1ccc([C@@H]2C[C@H]2NCc2nnc(-c3ccccc3)o2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2nc(-c3ccccc3)no2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2ccc(-c3ccccc3)o2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2ccc(-c3ccccc3)s2)cc1F
O=C(CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)Nc1ccccc1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3ccccc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(CCc3ccccc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(CC3CCCCC3)nn2)cc1F
CN1CCC(Cn2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)CC1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3cncnc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(Cc3cccnc3)nn2)cc1F
Cn1ccc(Cn2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)n1
CN(C)c1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1
CN(C)c1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1
CN(C)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
N#Cc1ccccc1-n1cc(CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)nn1
N#Cc1cccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)c1
N#Cc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccccc3-c3ccccc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc(-c4ccccc4)c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccccc4)cc3)nn2)cc1F
Fc1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(Cl)cc3)nn2)cc1F
CC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
CCC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
CNC(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
CN(C)C(=O)c1ccc(-n2cc(CN[C@@H]3C[C@H]3c3ccc(F)c(F)c3)nn2)cc1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-c4ccncc4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(-n4ccnc4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCOCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc(N4CCCCC4)cc3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4occc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4oncc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ccc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCCO4)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4ncsc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4sccc4c3)nn2)cc1F
O=c1ccc2cc(-n3cc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nn3)ccc2o1
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4ncccc4c3)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3cccc4c3OCO4)nn2)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cnnn2-c2ccc3c(c2)OCO3)cc1F
Fc1ccc([C@@H]2C[C@H]2NCc2cn(-c3ccc4c(c3)OCO4)nn2)cc1C(F)(F)F
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(Oc3ccccc3)cc2)o1
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
COC(=O)/C=C/c1ccc(CN(C(=O)OC(C)(C)C)C2CC2c2ccc(F)cc2)cc1
CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)NCCN(C)C2CC2c2ccccc2)cc1)c1ccccc1
CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)N(C)CCN(C)C2CC2c2ccccc2)cc1)c1ccccc1
CN(C)CCn1nnnc1Sc1ccnc2nc(SCc3ccc(Br)cc3)nn12
C=C/C=C/c1cccc(Oc2cccc(Cl)c2CNc2nc(N)n[nH]2)c1/C=C/C=C
O=S1(=O)CCCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c2ccccc21
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
COCCOc1cc2ncnc(Nc3ccc(N(C)C)cc3)c2cc1OCCOC
CN(C)c1ccc(Nc2ncnc3ccccc23)cc1
Cc1nc(Nc2ccc(N(C)C)cc2)c2ccccc2n1
CN(C)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1
COc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1
CSc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(C#N)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(N)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(C(N)=O)cc3)nc3ccccc23)cc1
CNC(=O)c1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cccc(S(C)(=O)=O)c3)nc3ccccc23)cc1
CC(=O)Nc1cccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)c1
CC(=O)c1cccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)c1
CN(C)c1ccc(Nc2nc(-c3ccc(C#N)c(F)c3)nc3ccccc23)cc1
COc1cc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cc(OC)c1OC
CN(C)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1
COc1ccc(-c2nc(Nc3ccc(N(C)C)cc3)c3ccccc3n2)cn1
CN(C)c1ccc(Nc2nc(-c3cncnc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cnc(N)nc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccco3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cnn(C)c3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(C3=CCCC3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(C3=CCCCC3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc4[nH]ccc4c3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc4c(ccn4C)c3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cnc4ccccc4c3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3cc4ccccc4s3)nc3ccccc23)cc1
CN(C)c1ccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CN(C)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)nc1
CN(C)c1ccc(CNc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CN(C)C(=O)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CC(=O)N(C)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CS(=O)(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1
CS(=O)(=O)c1ccc(-c2nc(Nc3ccc(N)cc3)c3ccccc3n2)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)cc1
CCN(CC)C1CCC(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccccc23)CC1
CCN(CC)CCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(OC)c(OC)cc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3ccc(OC)cc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(OC)ccc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(C)ccc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(F)ccc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(Cl)ccc23)cc1
CCN(CC)c1ccc(Nc2nc(-c3ccc(S(C)(=O)=O)cc3)nc3cc(C(F)(F)F)ccc23)cc1
Cc1ccc2nc3c(C)c(C)ccc3c(Nc3ccc(N(C)C)cc3)c2c1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC(=O)N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC(=O)N3CCNCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3F)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3OC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCc3ccccc3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC3CCCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@@H]3C[C@H]3N)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@@H]3C[C@H]3NCC3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NC(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC(=O)N3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3OC)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(Cc3ccccc3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(C(=O)OC(C)(C)C)C3CCCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(C(=O)OC(C)(C)C)C3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@H]3C[C@@H]3NC(=O)OC(C)(C)C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@H]3C[C@@H]3N(C(=O)OC(C)(C)C)C3CCOCC3)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
CCN(c1cc(-c2cccc([C@H]3C[C@@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
Oc1cc2CCNC(Cc3ccccc3)c2cc1O
Oc1cc2c(cc1O)C(c1ccccc1)NCC2
Oc1ccc(C2NCCc3cc(O)c(O)cc32)cc1
Oc1cc2c(cc1O)C(c1ccc(O)c(Cl)c1)NCC2
COc1ccc(C2NCCc3cc(O)c(O)cc32)cc1
Oc1cc2c(cc1O)C(c1cccc3c1OCCO3)NCC2
Cc1ccc(C2NCCc3cc(O)c(O)cc32)cc1
CCc1ccc(C2NCCc3cc(O)c(O)cc32)cc1
Oc1cc2c(cc1O)C(c1ccc3ccccc3c1)NCC2
Oc1cc2c(cc1O)C(c1ccncc1)NCC2
O=[N+]([O-])c1ccc(C2NCCc3cc(O)c(O)cc32)cc1
N#Cc1ccccc1C1NCCc2cc(O)c(O)cc21
Oc1cc2c(cc1O)C(c1ccc(C(F)(F)F)cc1)NCC2
Oc1cc2c(cc1O)C(c1cccc(C(F)(F)F)c1)NCC2
Oc1cc2c(cc1O)C(c1ccc(F)cc1)NCC2
Oc1cc2c(cc1O)C(c1ccc(Cl)cc1)NCC2
Oc1cc2c(cc1O)C(c1ccc(Br)cc1)NCC2
Oc1cc2c(cc1O)C(c1cccc(Br)c1)NCC2
Oc1cc2c(cc1O)C(c1ccccc1Br)NCC2
Oc1cc2c(cc1O)C(c1ccc(C3NCCc4cc(O)c(O)cc43)cc1)NCC2
O=C1c2ccccc2C2c3cc(O)c(O)cc3CCN12
CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CCN(CC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN(C)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN(C)C(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN(C)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
CN(C)c1ccccc1Nc1c2ccccc2nc2ccccc12
CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cn1
Cc1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1
CC(C)c1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1
COc1ccc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1
CN(C)c1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1
CN(C)c1ccc(Nc2c3ccccc3nc3ccc(C#N)cc23)cc1
COc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc2c1
Cc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CCc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CC(C)c1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CN(C)c1ccc(Nc2c3ccccc3nc3c(-c4ccccc4)cccc23)cc1
COc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CCOc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CSc1cccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc12
CN(C)c1ccc(Nc2c3ccccc3nc3c(N(C)C)cccc23)cc1
CN(C)c1ccc(Nc2c3ccccc3nc3cc(F)c(F)cc23)cc1
Cc1cc2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2cc1C
Cc1cc(C)c2nc3ccccc3c(Nc3ccc(N(C)C)cc3)c2c1
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccccc3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cccc(C)c3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccc(C)c(C)c3nc2c1
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3c(C)cccc3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3ccc([N+](=O)[O-])cc3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(C(F)(F)F)ccc3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(F)ccc3nc2c1C
Cc1ccc2c(Nc3ccc(N(C)C)cc3)c3cc(F)c(F)cc3nc2c1C
COc1cc2nc3c(C)c(C)ccc3c(Nc3ccc(N(C)C)cc3)c2cc1OC
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C