1344 SMILES Strings for GTPase KRas

Compound Name
SMILES String
Brc1ccc(OCC(=O)NC2CN(C2)C(=O)C=C)c(c1)C(=O)N1CC=C(C1)c1ccccc1 |c:26|
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)N3CCc4ccccc4C3)c2c1
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCCc3ccccc3)c2c1
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)ccc2c1
C(c1nc2ccncc2[nH]1)c1c[nH]c2ccccc12
C=CC(=O)N1CCN(CC1)c1ncnc2CN(CCc12)c1cccc2ccccc12
CC(C)(CNC(=O)CCl)COP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r|
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
CC(C)C=C(C#N)C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12 |r|
CC(C)C[C@@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
CC(C)C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=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(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
CC(C)C[C@H](CC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)C[C@@H](C)C(=O)C1)C(N)=O |r|
CC(C)C[C@H](N(C)C(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCCCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CC2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2CCCCC2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccnc2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccs2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](c2ccccc2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCOC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CC[C@@H](O)[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](CC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@@H](CCC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](CC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)N[C@H](CCC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCCCCCCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(C)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](COCc1cnnn1CCCCC(=O)NCC(N)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1CCCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1CCn2nncc2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1COCc2cn(CCCCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N1)nn2)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1COCc2cnnn2CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1COCc2cnnn2CCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1CSCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1Cc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H]1Cn2nncc2CCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(N)=O |r|
CC(C)[C@@H](NC(=O)C[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(N)=O |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](CNCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CN2CCC(C)CC2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O |r|
CC(C)[C@H](N(C)C(=O)[C@H]1CCC(C1)C(=O)C=C)C(=O)N[C@H]1Cc2cc(O)cc(c2)-c2ccc3n(C4CC4)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1 |r|
CC(C)[C@H](N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)C(=O)N[C@H]1Cc2cc(O)cc(c2)-c2ccc3n([C@H](C)C#N)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1 |r|
CC(C)[C@H](N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)C(=O)N[C@H]1Cc2cc(O)cc(c2)-c2ccc3n(c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1)C(C)(C)C#N |r|
CC(C)[C@H](N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)C(=O)N[C@H]1Cc2cc(O)cc(c2)-c2ccc3n(c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1ccncc1)C(C)(C)C#N |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
CC(C)c1ccc2[nH]ncc2c1N1CCc2c(C1)nc(OC[C@@H]1CCCN1C)nc2N1CCN(CC1)C(=O)C=C |r|
CC(C)c1cccc(C(C)C)c1-n1c2c(F)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:29.33,(59.27,-34.6,;60.6,-33.83,;59.82,-32.49,;61.93,-34.59,;61.94,-36.13,;63.27,-36.9,;64.61,-36.12,;64.6,-34.58,;65.92,-35.35,;67.46,-35.35,;65.92,-36.89,;63.27,-33.82,;63.26,-32.29,;64.6,-31.51,;65.93,-32.28,;65.94,-33.82,;67.27,-31.5,;67.26,-29.96,;65.92,-29.2,;64.6,-29.97,;63.26,-29.2,;61.93,-29.98,;61.93,-31.52,;60.6,-32.29,;63.25,-27.67,;64.58,-26.9,;64.58,-25.36,;63.25,-24.59,;61.91,-25.36,;61.91,-26.91,;60.58,-27.68,;63.25,-23.05,;61.92,-22.28,;64.59,-22.28,;64.59,-20.74,;68.6,-32.26,;69.92,-31.49,;69.91,-29.95,;71.26,-32.25,;71.27,-33.79,;69.94,-34.57,;68.6,-33.8,;67.27,-34.58,)|
CC(C)c1cccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(61.09,-12.89,;62.43,-13.65,;62.44,-15.19,;63.76,-12.87,;65.09,-13.65,;66.43,-12.88,;66.43,-11.33,;65.09,-10.57,;65.09,-9.03,;63.76,-11.33,;62.43,-10.57,;62.43,-9.03,;63.77,-8.26,;63.76,-6.71,;62.42,-5.95,;62.42,-4.41,;61.09,-6.71,;61.1,-8.26,;59.77,-9.02,;59.76,-10.56,;61.09,-11.33,;59.75,-12.08,;58.44,-8.25,;58.45,-6.71,;57.13,-5.94,;55.79,-6.69,;55.78,-8.24,;57.11,-9.02,;57.11,-10.56,;54.46,-5.92,;54.47,-4.37,;53.12,-6.67,;51.79,-5.9,;65.09,-5.94,;66.43,-6.7,;66.43,-8.24,;67.76,-5.93,;67.75,-4.39,;66.41,-3.62,;65.08,-4.4,;63.74,-3.64,)|
CC(C)c1cccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(12.69,-31.3,;14.02,-32.06,;14.03,-33.6,;15.35,-31.29,;16.68,-32.05,;18.01,-31.28,;18,-29.73,;16.67,-28.97,;16.66,-27.44,;15.34,-29.75,;14.01,-28.99,;14.01,-27.45,;15.35,-26.67,;15.34,-25.12,;14,-24.36,;14,-22.82,;12.67,-25.13,;12.67,-26.67,;11.34,-27.44,;11.34,-28.98,;12.67,-29.75,;11.33,-30.5,;10.02,-26.67,;10.02,-25.12,;8.71,-24.35,;7.36,-25.1,;7.35,-26.65,;8.69,-27.44,;8.68,-28.97,;6.03,-24.33,;6.04,-22.78,;4.69,-25.08,;3.35,-24.31,;16.67,-24.35,;18.01,-25.12,;18.02,-26.66,;19.34,-24.34,;19.34,-22.8,;17.99,-22.03,;16.66,-22.81,;15.32,-22.05,)|
CC(C)c1ccccc1-c1nnc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc12)-c1c(O)cccc1F |(35.01,-40.97,;36.34,-41.74,;36.34,-43.29,;37.68,-40.97,;39.01,-41.75,;40.35,-40.97,;40.35,-39.43,;39.01,-38.67,;37.68,-39.43,;36.35,-38.67,;35.01,-39.43,;33.68,-38.66,;33.69,-37.12,;32.36,-36.35,;32.37,-34.81,;31.06,-34.04,;29.71,-34.79,;29.7,-36.34,;31.04,-37.12,;28.38,-34.02,;28.39,-32.48,;27.04,-34.77,;25.71,-34,;35.02,-36.36,;35.01,-34.81,;36.34,-34.05,;36.34,-32.51,;37.68,-34.81,;37.69,-36.36,;36.35,-37.13,;39.01,-34.04,;40.35,-34.8,;40.35,-36.34,;41.68,-34.03,;41.67,-32.49,;40.33,-31.72,;39,-32.5,;37.66,-31.74,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(CC1)C(=O)C=C)-c1c(C)ccc2[nH]ncc12 |(61.07,-56.45,;62.4,-57.23,;62.4,-58.77,;63.74,-56.45,;65.08,-57.23,;66.41,-56.46,;66.41,-54.91,;65.08,-54.15,;63.75,-54.91,;62.41,-54.15,;62.41,-52.62,;63.75,-51.84,;63.74,-50.29,;62.4,-49.53,;62.4,-47.99,;61.07,-50.3,;61.08,-51.84,;59.75,-52.61,;59.74,-54.14,;61.07,-54.91,;59.73,-55.67,;58.42,-51.83,;58.43,-50.29,;57.11,-49.52,;55.77,-50.27,;55.76,-51.82,;57.1,-52.6,;54.44,-49.5,;54.45,-47.96,;53.1,-50.25,;51.77,-49.48,;65.07,-49.52,;65.06,-47.99,;63.72,-47.24,;66.38,-47.22,;67.72,-47.99,;67.72,-49.52,;68.86,-50.54,;68.24,-51.94,;66.72,-51.79,;66.39,-50.29,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(CC1)C(=O)C=C)-c1c(O)cccc1F |(15.68,-54.49,;17.01,-55.27,;17.01,-56.81,;18.35,-54.5,;19.68,-55.27,;21.02,-54.5,;21.02,-52.95,;19.68,-52.19,;18.35,-52.96,;17.02,-52.2,;17.02,-50.66,;18.36,-49.89,;18.35,-48.34,;17.01,-47.58,;17.01,-46.04,;15.68,-48.34,;15.69,-49.89,;14.36,-50.65,;14.35,-52.19,;15.68,-52.96,;14.34,-53.72,;13.04,-49.88,;13.04,-48.34,;11.73,-47.57,;10.39,-48.32,;10.38,-49.86,;11.71,-50.65,;9.06,-47.55,;9.07,-46.01,;7.72,-48.3,;6.39,-47.53,;19.68,-47.57,;21.01,-48.33,;21.02,-49.87,;22.35,-47.56,;22.34,-46.02,;20.99,-45.25,;19.67,-46.04,;18.33,-45.27,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(CC1)C(=O)C=C)-c1ccccc1F |(13.6,-12.62,;14.94,-13.4,;14.93,-14.94,;16.27,-12.63,;17.6,-13.4,;18.94,-12.63,;18.94,-11.08,;17.6,-10.32,;16.28,-11.08,;14.94,-10.32,;14.94,-8.79,;16.28,-8.01,;16.27,-6.46,;14.94,-5.7,;14.93,-4.16,;13.61,-6.47,;13.61,-8.02,;12.28,-8.78,;12.28,-10.32,;13.61,-11.08,;12.26,-11.84,;10.96,-8.01,;10.97,-6.47,;9.65,-5.69,;8.31,-6.45,;8.3,-7.99,;9.63,-8.78,;6.98,-5.67,;6.99,-4.13,;5.64,-6.43,;4.31,-5.65,;17.6,-5.7,;17.59,-4.16,;18.92,-3.38,;20.26,-4.15,;20.27,-5.69,;18.94,-6.46,;18.94,-7.99,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(35.18,-28.34,;36.52,-29.12,;36.52,-30.66,;37.86,-28.35,;39.19,-29.12,;40.53,-28.35,;40.52,-26.8,;39.19,-26.04,;37.86,-26.81,;36.53,-26.04,;36.52,-24.51,;37.86,-23.73,;37.86,-22.18,;36.52,-21.42,;36.51,-19.88,;35.19,-22.19,;35.19,-23.74,;33.86,-24.5,;33.86,-26.04,;35.19,-26.8,;33.84,-27.56,;32.54,-23.73,;32.55,-22.18,;31.23,-21.41,;29.89,-22.17,;29.88,-23.71,;31.21,-24.5,;31.21,-26.03,;28.56,-21.39,;28.57,-19.85,;27.22,-22.15,;25.89,-21.37,;39.18,-21.41,;40.52,-22.18,;40.53,-23.71,;41.85,-21.41,;41.85,-19.87,;40.5,-19.1,;39.17,-19.88,;37.84,-19.12,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1C(F)(F)F |r,wU:26.30,(14.21,-28.03,;15.55,-28.81,;15.54,-30.35,;16.88,-28.04,;18.22,-28.81,;19.55,-28.04,;19.55,-26.49,;18.22,-25.73,;16.89,-26.49,;15.55,-25.73,;15.55,-24.2,;16.89,-23.42,;16.88,-21.87,;15.55,-21.11,;15.54,-19.57,;14.22,-21.88,;14.22,-23.42,;12.89,-24.19,;12.88,-25.72,;14.21,-26.49,;12.87,-27.25,;11.57,-23.41,;11.57,-21.87,;10.26,-21.1,;8.91,-21.85,;8.9,-23.4,;10.24,-24.19,;10.23,-25.72,;7.58,-21.08,;7.6,-19.54,;6.24,-21.84,;4.91,-21.06,;18.21,-21.1,;18.2,-19.57,;19.53,-18.78,;20.88,-19.55,;20.88,-21.1,;19.55,-21.87,;19.55,-23.4,;18.23,-24.17,;20.88,-24.16,;19.55,-24.93,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1Cl |r,wU:26.30,(52.72,-13.93,;54.06,-14.71,;54.05,-16.25,;55.39,-13.94,;56.73,-14.71,;58.07,-13.94,;58.06,-12.39,;56.73,-11.63,;55.4,-12.4,;54.06,-11.63,;54.06,-10.1,;55.4,-9.33,;55.39,-7.77,;54.06,-7.01,;54.05,-5.47,;52.73,-7.78,;52.73,-9.33,;51.4,-10.09,;51.4,-11.63,;52.73,-12.4,;51.38,-13.16,;50.08,-9.32,;50.09,-7.78,;48.77,-7,;47.43,-7.76,;47.42,-9.3,;48.75,-10.09,;48.75,-11.62,;46.1,-6.98,;46.11,-5.44,;44.76,-7.74,;43.43,-6.96,;56.72,-7.01,;56.71,-5.47,;58.04,-4.69,;59.39,-5.46,;59.39,-7,;58.06,-7.77,;58.06,-9.3,)|
CC(C)c1ccccc1-n1c2cc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:26.30,(33,-13.63,;34.34,-14.41,;34.33,-15.95,;35.67,-13.64,;37.01,-14.41,;38.35,-13.64,;38.34,-12.09,;37.01,-11.33,;35.68,-12.09,;34.34,-11.33,;34.34,-9.8,;35.68,-9.02,;35.67,-7.47,;34.34,-6.71,;34.33,-5.17,;33.01,-7.48,;33.01,-9.02,;31.68,-9.79,;31.68,-11.33,;33.01,-12.09,;31.66,-12.85,;30.36,-9.02,;30.37,-7.47,;29.05,-6.7,;27.71,-7.46,;27.7,-9,;29.03,-9.79,;29.02,-11.32,;26.38,-6.68,;26.39,-5.14,;25.03,-7.44,;23.71,-6.66,;37,-6.7,;36.99,-5.17,;38.32,-4.39,;39.67,-5.16,;39.67,-6.7,;38.34,-7.47,;38.34,-9,)|
CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(CC1)C(=O)C=C)-c1c(O)cccc1F |(53.81,-29.04,;55.14,-29.82,;55.14,-31.36,;56.48,-29.05,;57.82,-29.82,;59.15,-29.05,;59.15,-27.5,;57.82,-26.74,;56.49,-27.5,;55.15,-26.74,;55.15,-25.21,;56.49,-24.43,;56.48,-22.88,;55.15,-22.12,;55.14,-20.58,;53.81,-22.89,;53.82,-24.43,;52.49,-25.2,;52.48,-26.74,;53.81,-27.5,;52.47,-28.26,;51.16,-24.43,;51.17,-22.88,;49.86,-22.11,;48.51,-22.87,;48.5,-24.41,;49.84,-25.2,;47.18,-22.09,;47.2,-20.55,;45.84,-22.85,;44.51,-22.07,;57.81,-22.11,;59.15,-22.88,;59.15,-24.41,;60.48,-22.11,;60.48,-20.57,;59.13,-19.8,;57.8,-20.58,;56.47,-19.82,)|
CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(27.94,-14.35,;26.62,-15.13,;25.28,-15.89,;26.63,-16.66,;27.96,-17.42,;27.97,-18.97,;26.64,-19.74,;25.31,-18.98,;25.31,-17.44,;23.97,-16.68,;23.97,-15.14,;25.31,-14.36,;25.3,-12.81,;23.96,-12.05,;23.96,-10.51,;22.63,-12.82,;22.63,-14.36,;21.31,-15.13,;21.3,-16.67,;22.63,-17.44,;22.63,-18.97,;19.98,-14.36,;19.99,-12.81,;18.67,-12.04,;17.32,-12.8,;17.31,-14.34,;18.65,-15.13,;18.64,-16.66,;15.99,-12.02,;16,-10.47,;14.65,-12.78,;13.32,-12,;26.63,-12.04,;27.97,-12.81,;26.63,-13.56,;29.31,-12.03,;29.3,-10.49,;27.95,-9.72,;26.62,-10.5,;25.28,-9.74,)|
CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1Cl |r,wU:26.30,(59.39,-43.96,;60.73,-44.74,;60.73,-46.28,;62.07,-43.97,;63.4,-44.74,;64.74,-43.97,;64.73,-42.42,;63.4,-41.66,;62.07,-42.43,;60.74,-41.66,;60.73,-40.13,;62.07,-39.36,;62.07,-37.8,;60.73,-37.04,;60.72,-35.5,;59.4,-37.81,;59.4,-39.36,;58.07,-40.12,;58.07,-41.66,;59.4,-42.43,;58.05,-43.19,;56.75,-39.35,;56.76,-37.81,;55.44,-37.03,;54.1,-37.79,;54.09,-39.33,;55.42,-40.12,;55.42,-41.65,;52.77,-37.01,;52.78,-35.47,;51.43,-37.77,;50.1,-36.99,;63.39,-37.04,;63.38,-35.5,;64.71,-34.72,;66.06,-35.49,;66.06,-37.03,;64.73,-37.8,;64.74,-39.33,)|
CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:26.30,(37.46,-44.6,;38.79,-45.38,;38.79,-46.92,;40.13,-44.61,;41.46,-45.38,;42.8,-44.61,;42.8,-43.06,;41.46,-42.3,;40.13,-43.06,;38.8,-42.3,;38.79,-40.77,;40.13,-39.99,;40.13,-38.44,;38.79,-37.68,;38.79,-36.14,;37.46,-38.45,;37.46,-39.99,;36.14,-40.76,;36.13,-42.29,;37.46,-43.06,;36.12,-43.82,;34.81,-39.98,;34.82,-38.44,;33.5,-37.67,;32.16,-38.43,;32.15,-39.97,;33.48,-40.76,;33.48,-42.29,;30.83,-37.65,;30.84,-36.11,;29.49,-38.41,;28.16,-37.63,;41.46,-37.67,;41.45,-36.14,;42.77,-35.35,;44.12,-36.12,;44.13,-37.67,;42.79,-38.44,;42.8,-39.97,)|
CC(C)c1ccccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1ccccc1O |r,wU:26.30,(15.93,-56.66,;17.26,-57.43,;17.26,-58.97,;18.6,-56.66,;19.93,-57.44,;21.27,-56.66,;21.27,-55.12,;19.93,-54.35,;18.61,-55.12,;17.27,-54.36,;17.27,-52.82,;18.61,-52.05,;18.6,-50.5,;17.26,-49.74,;17.26,-48.2,;15.93,-50.5,;15.94,-52.05,;14.61,-52.81,;14.6,-54.35,;15.93,-55.12,;14.59,-55.88,;13.28,-52.04,;13.29,-50.5,;11.98,-49.73,;10.63,-50.48,;10.62,-52.02,;11.96,-52.81,;11.95,-54.35,;9.3,-49.71,;9.31,-48.16,;7.96,-50.46,;6.63,-49.69,;19.93,-49.73,;19.92,-48.19,;21.25,-47.41,;22.59,-48.18,;22.6,-49.72,;21.27,-50.49,;21.27,-52.03,)|
CC(C)c1cccnc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(30.46,-30,;31.79,-30.76,;31.8,-32.29,;33.12,-29.98,;34.46,-30.75,;35.79,-29.98,;35.79,-28.43,;34.46,-27.67,;33.13,-28.44,;31.79,-27.67,;31.79,-26.14,;33.13,-25.37,;33.12,-23.81,;31.79,-23.05,;31.78,-21.51,;30.45,-23.82,;30.46,-25.37,;29.13,-26.13,;29.12,-27.67,;30.45,-28.43,;29.12,-29.19,;27.8,-25.36,;27.81,-23.81,;26.5,-23.04,;25.15,-23.8,;25.14,-25.34,;26.48,-26.13,;26.47,-27.66,;23.82,-23.02,;23.83,-21.48,;22.48,-23.78,;21.15,-23,;34.45,-23.04,;35.79,-23.81,;35.79,-25.35,;37.12,-23.04,;37.12,-21.5,;35.77,-20.73,;34.44,-21.51,;33.1,-20.74,)|
CC(C)c1ccnc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(49.04,-14.69,;50.37,-15.46,;50.38,-16.99,;51.7,-14.69,;53.03,-15.45,;54.36,-14.67,;54.35,-13.13,;53.01,-12.37,;53,-10.84,;51.69,-13.14,;50.36,-12.38,;50.35,-10.85,;51.69,-10.07,;51.69,-8.52,;50.35,-7.75,;50.35,-6.21,;49.02,-8.52,;49.02,-10.07,;47.69,-10.84,;47.68,-12.37,;49.02,-13.14,;47.68,-13.9,;46.36,-10.06,;46.37,-8.52,;45.05,-7.74,;43.71,-8.5,;43.7,-10.05,;45.03,-10.83,;45.03,-12.37,;42.38,-7.72,;42.39,-6.18,;41.03,-8.48,;39.7,-7.7,;53.02,-7.75,;54.36,-8.51,;54.36,-10.05,;55.69,-7.74,;55.69,-6.2,;54.34,-5.43,;53.01,-6.21,;51.67,-5.44,)|
CC(C)c1ccnc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(50.18,-31.69,;51.51,-32.45,;51.51,-33.98,;52.84,-31.68,;54.17,-32.44,;55.5,-31.66,;55.49,-30.12,;54.15,-29.36,;54.14,-27.83,;52.83,-30.14,;51.5,-29.37,;51.49,-27.84,;52.83,-27.06,;52.83,-25.51,;51.49,-24.75,;51.48,-23.2,;50.16,-25.51,;50.16,-27.06,;48.83,-27.83,;48.82,-29.37,;50.16,-30.13,;48.82,-30.89,;47.5,-27.05,;47.51,-25.51,;46.19,-24.74,;44.85,-25.49,;44.84,-27.04,;46.17,-27.83,;46.17,-29.36,;43.52,-24.71,;43.53,-23.17,;42.17,-25.47,;40.84,-24.69,;54.16,-24.74,;55.5,-25.5,;55.5,-27.05,;56.83,-24.73,;56.83,-23.19,;55.48,-22.42,;54.15,-23.2,;52.81,-22.43,)|
CC(C)c1nccc(C)c1-n1c2c(Cl)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(2.37,-35.67,;3.7,-34.9,;2.92,-33.56,;5.04,-35.67,;5.04,-37.21,;6.38,-37.98,;7.72,-37.19,;7.71,-35.66,;8.79,-36.74,;6.37,-34.9,;6.37,-33.36,;7.7,-32.59,;9.04,-33.35,;9.04,-34.89,;10.37,-32.58,;10.36,-31.03,;9.03,-30.27,;7.7,-31.04,;6.37,-30.28,;5.04,-31.05,;5.04,-32.59,;3.7,-33.36,;6.35,-28.74,;7.69,-27.97,;7.69,-26.44,;6.36,-25.66,;5.02,-26.43,;5.02,-27.98,;3.69,-28.75,;6.36,-24.12,;5.02,-23.35,;7.69,-23.35,;7.69,-21.81,;11.7,-33.34,;13.03,-32.56,;13.02,-31.02,;14.36,-33.32,;14.37,-34.87,;13.04,-35.64,;11.71,-34.88,;10.37,-35.65,)|
CC(C)c1nccc(C)c1-n1c2c(F)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(59.17,-14.67,;60.51,-13.9,;59.73,-12.56,;61.84,-14.67,;61.84,-16.21,;63.18,-16.98,;64.52,-16.19,;64.51,-14.66,;65.59,-15.74,;63.18,-13.9,;63.17,-12.36,;64.51,-11.59,;65.84,-12.35,;65.84,-13.89,;67.18,-11.58,;67.17,-10.03,;65.83,-9.27,;64.5,-10.04,;63.17,-9.28,;61.84,-10.05,;61.84,-11.59,;60.5,-12.36,;63.16,-7.74,;64.49,-6.97,;64.49,-5.44,;63.16,-4.66,;61.82,-5.44,;61.82,-6.98,;60.49,-7.75,;63.16,-3.12,;61.83,-2.35,;64.49,-2.35,;64.49,-.81,;68.51,-12.34,;69.83,-11.56,;69.82,-10.02,;71.17,-12.32,;71.18,-13.87,;69.84,-14.64,;68.51,-13.88,;67.18,-14.65,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(C(CC#N)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(15.25,-38.31,;13.91,-37.54,;13.9,-36,;12.58,-38.32,;12.58,-39.87,;11.25,-40.64,;9.91,-39.87,;9.91,-38.32,;8.58,-37.55,;11.24,-37.55,;11.24,-34.79,;9.91,-34.03,;8.58,-34.8,;7.25,-34.03,;7.24,-32.5,;5.9,-31.74,;8.56,-31.72,;9.91,-32.49,;11.23,-31.71,;11.23,-30.17,;9.91,-29.41,;9.91,-27.87,;11.25,-27.1,;12.58,-27.87,;13.91,-27.1,;13.91,-25.56,;13.91,-24.02,;12.58,-29.4,;11.25,-25.56,;9.92,-24.78,;12.58,-24.79,;12.59,-23.25,;12.57,-32.48,;13.9,-31.71,;15.23,-30.94,;12.57,-34.03,;13.9,-34.8,;5.92,-34.81,;4.58,-34.04,;4.58,-32.5,;3.26,-34.81,;1.92,-34.04,;3.25,-36.36,;4.59,-37.13,;4.59,-38.67,;5.93,-36.36,;7.26,-37.12,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(68.65,-18.49,;67.31,-17.72,;67.3,-16.18,;65.98,-18.5,;65.98,-20.05,;64.65,-20.82,;63.31,-20.05,;63.32,-18.51,;61.98,-17.74,;64.64,-17.74,;64.64,-14.97,;63.31,-14.21,;61.98,-14.98,;60.65,-14.21,;60.64,-12.68,;59.3,-11.92,;61.96,-11.9,;63.31,-12.67,;64.64,-11.89,;64.63,-10.35,;65.98,-9.59,;65.98,-8.05,;64.65,-7.28,;63.31,-8.05,;63.31,-9.59,;64.65,-5.74,;63.32,-4.97,;65.98,-4.97,;65.99,-3.43,;65.97,-12.67,;67.3,-11.9,;68.63,-11.13,;65.97,-14.21,;67.31,-14.98,;59.32,-14.99,;57.99,-14.22,;57.98,-12.68,;56.66,-15,;55.32,-14.23,;56.66,-16.54,;57.99,-17.31,;57.99,-18.85,;59.33,-16.54,;60.66,-17.31,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1ccccc1F |(48.43,-38.19,;47.09,-37.43,;47.08,-35.89,;45.76,-38.2,;45.76,-39.75,;44.43,-40.52,;43.09,-39.75,;43.09,-38.21,;41.76,-37.44,;44.42,-37.44,;44.42,-34.68,;43.09,-33.91,;41.76,-34.69,;40.43,-33.91,;40.42,-32.38,;39.08,-31.62,;41.74,-31.61,;43.09,-32.37,;44.41,-31.59,;44.41,-30.05,;45.76,-29.29,;45.76,-27.75,;44.43,-26.98,;43.09,-27.75,;43.09,-29.29,;44.43,-25.44,;43.1,-24.67,;45.76,-24.67,;45.77,-23.13,;45.75,-32.37,;47.08,-31.6,;48.41,-30.83,;45.75,-33.91,;47.08,-34.68,;39.1,-34.69,;37.76,-33.93,;36.44,-34.7,;36.43,-36.24,;37.77,-37.01,;39.11,-36.24,;40.44,-37.01,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |r,wU:23.25,(16.88,-16.85,;15.54,-16.08,;15.54,-14.54,;14.21,-16.86,;14.22,-18.41,;12.88,-19.18,;11.55,-18.41,;11.55,-16.87,;10.21,-16.1,;12.88,-16.1,;12.87,-13.33,;11.54,-12.57,;10.22,-13.34,;8.88,-12.57,;8.87,-11.04,;7.53,-10.28,;10.19,-10.26,;11.54,-11.03,;12.87,-10.25,;12.86,-8.71,;11.54,-7.95,;11.54,-6.41,;12.88,-5.64,;14.21,-6.41,;15.55,-5.64,;15.55,-4.1,;15.55,-2.56,;14.21,-7.94,;12.88,-4.1,;11.55,-3.33,;14.22,-3.33,;14.22,-1.79,;14.2,-11.03,;15.53,-10.25,;16.86,-9.48,;14.2,-12.57,;15.54,-13.34,;7.55,-13.35,;6.22,-12.58,;6.21,-11.04,;4.89,-13.35,;3.56,-12.58,;4.89,-14.9,;6.22,-15.67,;6.22,-17.21,;7.56,-14.9,;8.89,-15.67,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN([C@H](C)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |r,wU:23.25,(51.51,-17.21,;50.18,-16.44,;50.17,-14.9,;48.84,-17.22,;48.85,-18.77,;47.51,-19.54,;46.18,-18.77,;46.18,-17.22,;44.85,-16.45,;47.51,-16.45,;47.5,-13.69,;46.17,-12.93,;44.85,-13.7,;43.52,-12.93,;43.5,-11.4,;42.16,-10.64,;44.83,-10.62,;46.17,-11.39,;47.5,-10.61,;47.5,-9.07,;48.84,-8.3,;48.84,-6.77,;47.51,-5.99,;46.18,-6.77,;44.84,-5.99,;46.17,-8.31,;47.51,-4.45,;46.18,-3.68,;48.85,-3.69,;48.85,-2.15,;48.84,-11.38,;50.16,-10.61,;51.5,-9.84,;48.84,-12.92,;50.17,-13.7,;42.19,-13.7,;40.85,-12.94,;40.85,-11.4,;39.52,-13.71,;38.19,-12.94,;39.52,-15.26,;40.85,-16.03,;40.85,-17.57,;42.19,-15.25,;43.53,-16.02,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2C[C@H](C)N([C@H](C)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |r,wD:24.26,21.23,(35.65,-16.68,;34.32,-15.91,;34.31,-14.37,;32.99,-16.69,;32.99,-18.24,;31.66,-19.01,;30.32,-18.24,;30.32,-16.69,;28.99,-15.92,;31.65,-15.92,;31.65,-13.16,;30.32,-12.4,;28.99,-13.17,;27.66,-12.4,;27.65,-10.87,;26.31,-10.11,;28.97,-10.09,;30.32,-10.86,;31.64,-10.08,;31.64,-8.54,;30.32,-7.78,;30.32,-6.24,;28.99,-5.47,;31.65,-5.47,;32.99,-6.24,;34.32,-5.47,;32.99,-7.77,;31.66,-3.93,;30.32,-3.15,;32.99,-3.16,;32.99,-1.62,;32.98,-10.85,;34.31,-10.08,;35.64,-9.31,;32.98,-12.4,;34.31,-13.17,;26.33,-13.18,;24.99,-12.41,;24.99,-10.87,;23.67,-13.18,;22.33,-12.41,;23.66,-14.73,;25,-15.5,;25,-17.04,;26.33,-14.73,;27.67,-15.49,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N(C)C1CN(C1)C(=O)C1CO1)-c1ccccc1F |(7.51,-37.67,;7.9,-39.16,;6.81,-40.25,;9.4,-39.57,;9.39,-41.1,;10.72,-41.88,;12.06,-41.11,;12.06,-39.57,;13.4,-38.8,;10.74,-38.8,;10.74,-37.27,;12.07,-36.5,;13.41,-37.27,;14.75,-36.5,;14.74,-34.95,;16.07,-34.17,;13.4,-34.18,;12.08,-34.95,;10.76,-34.18,;9.41,-34.94,;9.41,-36.48,;8.07,-37.25,;10.77,-32.64,;12.11,-31.88,;9.44,-31.85,;9.05,-30.37,;7.56,-30.75,;7.95,-32.24,;6.24,-29.97,;6.25,-28.43,;4.9,-30.73,;3.35,-30.72,;4.11,-32.06,;16.07,-37.26,;16.07,-38.8,;17.41,-39.57,;18.74,-38.8,;18.73,-37.25,;17.4,-36.49,;17.39,-34.95,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CC(C1)NC(=O)C1CO1)-c1ccccc1F |(33.21,-16.07,;33.61,-17.56,;32.51,-18.65,;35.1,-17.97,;35.09,-19.5,;36.42,-20.28,;37.77,-19.51,;37.77,-17.97,;39.1,-17.2,;36.44,-17.2,;36.44,-15.67,;37.78,-14.9,;39.11,-15.67,;40.45,-14.9,;40.44,-13.35,;41.77,-12.57,;39.11,-12.58,;37.78,-13.35,;36.46,-12.58,;35.12,-13.34,;35.11,-14.88,;33.77,-15.65,;36.47,-11.04,;37.58,-9.96,;36.5,-8.86,;35.4,-9.94,;36.51,-7.32,;35.19,-6.54,;35.2,-5,;33.85,-7.3,;32.31,-7.28,;33.07,-8.62,;41.78,-15.66,;41.78,-17.21,;43.11,-17.97,;44.44,-17.2,;44.44,-15.65,;43.1,-14.89,;43.1,-13.35,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C1OC1C)-c1ccccc1F |r,wU:27.31,(5.35,-35.11,;5.75,-36.6,;4.66,-37.69,;7.24,-37.01,;7.24,-38.55,;8.57,-39.32,;9.91,-38.55,;9.91,-37.01,;11.24,-36.24,;8.58,-36.24,;8.59,-34.71,;9.92,-33.94,;11.25,-34.71,;12.59,-33.94,;12.59,-32.39,;13.92,-31.61,;11.25,-31.62,;9.93,-32.39,;8.6,-31.62,;7.26,-32.38,;7.25,-33.92,;5.91,-34.69,;8.62,-30.08,;9.96,-29.32,;9.97,-27.79,;8.65,-27,;7.3,-27.76,;7.29,-29.3,;5.95,-30.06,;8.66,-25.46,;10,-24.7,;7.34,-24.68,;5.8,-24.66,;6.58,-23.33,;6.6,-21.8,;13.92,-34.7,;13.92,-36.25,;15.25,-37.01,;16.59,-36.24,;16.58,-34.69,;15.24,-33.93,;15.24,-32.39,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(30.05,-14.2,;31.38,-14.97,;31.39,-16.5,;32.71,-14.19,;34.04,-14.96,;35.37,-14.18,;35.36,-12.64,;34.03,-11.88,;34.01,-10.35,;32.7,-12.65,;31.37,-11.89,;31.36,-10.36,;32.71,-9.58,;32.7,-8.03,;31.36,-7.26,;31.36,-5.72,;30.03,-8.03,;30.03,-9.58,;28.7,-10.35,;28.7,-11.88,;30.03,-12.65,;28.69,-13.41,;27.37,-9.57,;27.38,-8.03,;26.06,-7.25,;24.72,-8.01,;24.71,-9.56,;26.05,-10.34,;26.04,-11.88,;23.39,-7.23,;23.4,-5.69,;22.05,-7.99,;20.71,-7.21,;34.03,-7.26,;35.37,-8.02,;35.37,-9.56,;36.7,-7.25,;36.7,-5.71,;35.35,-4.94,;34.02,-5.72,;32.68,-4.95,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=O)-c1ccccc1F |r,wU:27.31,(5.87,-15.07,;6.26,-16.56,;5.17,-17.64,;7.76,-16.96,;7.75,-18.5,;9.08,-19.28,;10.42,-18.5,;10.42,-16.97,;11.76,-16.2,;9.09,-16.2,;9.1,-14.66,;10.43,-13.89,;11.77,-14.67,;13.1,-13.89,;13.1,-12.34,;14.43,-11.57,;11.76,-11.58,;10.44,-12.35,;9.11,-11.58,;7.77,-12.34,;7.76,-13.88,;6.43,-14.64,;9.13,-10.03,;10.47,-9.28,;10.48,-7.74,;9.16,-6.96,;7.82,-7.72,;7.8,-9.26,;6.46,-10.02,;9.17,-5.42,;10.52,-4.66,;7.85,-4.63,;7.86,-3.09,;14.43,-14.66,;14.43,-16.2,;15.77,-16.97,;17.1,-16.2,;17.09,-14.65,;15.76,-13.89,;15.75,-12.35,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1O[C@H]1CN1CCCCC1)-c1ccccc1F |r,wU:27.31,33.38,wD:31.34,(6.62,-17.99,;7.02,-19.48,;5.92,-20.56,;8.51,-19.88,;8.5,-21.42,;9.84,-22.2,;11.18,-21.42,;11.18,-19.89,;12.51,-19.12,;9.85,-19.12,;9.85,-17.58,;11.19,-16.81,;12.52,-17.58,;13.86,-16.81,;13.85,-15.26,;15.18,-14.49,;12.52,-14.5,;11.2,-15.27,;9.87,-14.49,;8.53,-15.25,;8.52,-16.8,;7.18,-17.56,;9.88,-12.95,;11.23,-12.19,;11.24,-10.66,;9.91,-9.87,;8.57,-10.63,;8.56,-12.18,;7.22,-12.94,;9.93,-8.33,;11.27,-7.58,;8.6,-7.55,;7.07,-7.53,;7.85,-6.21,;7.87,-4.67,;6.54,-3.88,;6.56,-2.34,;5.25,-1.55,;3.9,-2.3,;3.88,-3.84,;5.21,-4.64,;15.19,-17.58,;15.19,-19.12,;16.52,-19.89,;17.85,-19.12,;17.85,-17.57,;16.51,-16.81,;16.51,-15.27,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1O[C@H]1CO)-c1ccccc1F |r,wU:27.31,33.38,wD:31.34,(19.81,-17.88,;20.21,-19.37,;19.12,-20.45,;21.7,-19.77,;21.7,-21.31,;23.03,-22.09,;24.37,-21.31,;24.37,-19.78,;25.7,-19.01,;23.04,-19.01,;23.05,-17.47,;24.38,-16.7,;25.71,-17.47,;27.05,-16.7,;27.05,-15.15,;28.38,-14.38,;25.71,-14.39,;24.39,-15.16,;23.06,-14.38,;21.72,-15.15,;21.71,-16.69,;20.37,-17.45,;23.08,-12.84,;24.42,-12.08,;24.43,-10.55,;23.11,-9.76,;21.76,-10.52,;21.75,-12.07,;20.41,-12.83,;23.12,-8.22,;24.46,-7.47,;21.8,-7.44,;20.26,-7.43,;21.04,-6.1,;21.06,-4.56,;19.73,-3.78,;28.38,-17.47,;28.38,-19.01,;29.71,-19.78,;31.05,-19.01,;31.04,-17.46,;29.71,-16.7,;29.7,-15.16,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@H]1CO1)-c1ccccc1F |r,wU:27.31,wD:31.34,(35.42,-15.01,;35.81,-16.5,;34.72,-17.58,;37.3,-16.9,;37.3,-18.44,;38.63,-19.22,;39.97,-18.44,;39.97,-16.91,;41.31,-16.14,;38.64,-16.14,;38.65,-14.6,;39.98,-13.83,;41.32,-14.6,;42.65,-13.83,;42.65,-12.28,;43.98,-11.51,;41.31,-11.52,;39.99,-12.29,;38.66,-11.51,;37.32,-12.28,;37.31,-13.82,;35.97,-14.58,;38.68,-9.97,;40.02,-9.21,;40.03,-7.68,;38.71,-6.89,;37.37,-7.65,;37.35,-9.2,;36.01,-9.96,;38.72,-5.35,;40.07,-4.6,;37.4,-4.57,;36.65,-3.23,;35.86,-4.56,;43.98,-14.6,;43.98,-16.14,;45.32,-16.91,;46.65,-16.14,;46.64,-14.59,;45.31,-13.83,;45.3,-12.29,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)[C@H]1CO1)-c1c(N)cccc1F |r,wU:28.32,wD:32.35,24.27,(36.68,-37.61,;37.08,-39.1,;35.98,-40.18,;38.57,-39.5,;38.56,-41.04,;39.9,-41.82,;41.24,-41.05,;41.24,-39.51,;42.57,-38.74,;39.91,-38.74,;39.91,-37.21,;41.25,-36.44,;42.58,-37.21,;43.92,-36.43,;43.91,-34.88,;45.25,-34.11,;42.58,-34.12,;41.26,-34.89,;39.93,-34.12,;38.59,-34.88,;38.58,-36.42,;37.24,-37.18,;39.94,-32.57,;41.29,-31.82,;41.3,-30.28,;42.64,-29.53,;39.98,-29.5,;38.63,-30.26,;38.62,-31.8,;37.28,-32.56,;39.99,-27.96,;41.33,-27.2,;38.66,-27.17,;37.91,-25.83,;37.13,-27.16,;45.25,-37.2,;45.25,-38.74,;43.92,-39.51,;46.58,-39.51,;47.92,-38.74,;47.91,-37.19,;46.57,-36.43,;46.57,-34.89,)|
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)[C@H]1CO1)-c1c(O)cccc1F |r,wU:28.32,wD:32.35,24.27,(22.49,-38.63,;22.88,-40.12,;21.79,-41.21,;24.38,-40.52,;24.37,-42.06,;25.7,-42.84,;27.04,-42.07,;27.04,-40.53,;28.38,-39.76,;25.72,-39.76,;25.72,-38.23,;27.06,-37.46,;28.39,-38.23,;29.73,-37.46,;29.72,-35.9,;31.05,-35.13,;28.39,-35.14,;27.06,-35.91,;25.74,-35.14,;24.39,-35.9,;24.39,-37.44,;23.05,-38.2,;25.75,-33.59,;27.09,-32.84,;27.11,-31.3,;28.45,-30.55,;25.78,-30.52,;24.44,-31.28,;24.42,-32.82,;23.08,-33.58,;25.8,-28.98,;27.14,-28.22,;24.47,-28.19,;23.72,-26.85,;22.93,-28.18,;31.06,-38.22,;31.06,-39.76,;29.72,-40.53,;32.39,-40.53,;33.72,-39.76,;33.72,-38.21,;32.38,-37.45,;32.37,-35.91,)|
CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)|
CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCn2c(C1)cnc2C=C)-c1c(O)cccc1F |(5.82,-3.82,;5.05,-5.15,;5.82,-6.48,;3.51,-5.15,;3.51,-6.69,;2.17,-7.46,;.85,-6.69,;.84,-5.15,;-.5,-4.38,;2.18,-4.38,;2.18,-2.84,;.84,-2.07,;-.48,-2.84,;-1.82,-2.08,;-1.82,-.53,;-3.15,.24,;-.49,.24,;.84,-.53,;2.18,.24,;3.51,-.53,;3.51,-2.07,;4.84,-2.84,;2.18,1.78,;.84,2.55,;.84,4.09,;2.18,4.86,;3.51,4.09,;3.51,2.55,;4.66,5.12,;4.03,6.53,;2.5,6.37,;1.41,7.46,;-.08,7.06,;-3.15,-2.85,;-3.15,-4.39,;-1.82,-5.16,;-4.48,-5.15,;-5.82,-4.38,;-5.82,-2.85,;-4.49,-2.07,;-4.49,-.53,)|
CC(C)c1nccc2C(C)CCOc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCC(F)(F)COc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r|
CC(C)c1nccc2CCCCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCCCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCCOc3cccc(Cl)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
CC(C)c1nccc2CCOc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r|
CC(C)c1nccc2OCC(F)(F)COc3cccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r|
CC(C)c1nccc2OCCOc3c(F)ccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r|
CC(C)c1ncnc(C(C)C)c1-n1c2c(Cl)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:29.33,(20.91,-35.18,;22.24,-34.41,;21.46,-33.07,;23.57,-35.18,;23.58,-36.72,;24.91,-37.49,;26.25,-36.7,;26.24,-35.17,;27.56,-35.93,;29.1,-35.93,;27.56,-37.47,;24.91,-34.41,;24.9,-32.87,;26.24,-32.1,;27.57,-32.86,;27.58,-34.4,;28.91,-32.09,;28.9,-30.54,;27.56,-29.78,;26.24,-30.55,;24.9,-29.79,;23.57,-30.56,;23.57,-32.1,;22.24,-32.87,;24.89,-28.25,;26.22,-27.48,;26.22,-25.95,;24.89,-25.17,;23.56,-25.94,;23.55,-27.49,;22.22,-28.26,;24.89,-23.63,;23.56,-22.86,;26.23,-22.86,;26.23,-21.32,;30.24,-32.85,;31.56,-32.07,;31.55,-30.53,;32.9,-32.83,;32.91,-34.38,;31.58,-35.15,;30.24,-34.39,;28.91,-35.16,)|
CC(C)c1ncnc(C(C)C)c1-n1c2c(F)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:29.33,(41.44,-35.52,;42.77,-34.75,;41.99,-33.41,;44.11,-35.52,;44.11,-37.06,;45.45,-37.83,;46.78,-37.05,;46.77,-35.51,;48.1,-36.28,;49.64,-36.28,;48.09,-37.82,;45.44,-34.75,;45.44,-33.22,;46.77,-32.44,;48.11,-33.2,;48.11,-34.74,;49.44,-32.43,;49.43,-30.88,;48.09,-30.12,;46.77,-30.89,;45.43,-30.13,;44.1,-30.9,;44.1,-32.45,;42.77,-33.21,;45.42,-28.59,;46.76,-27.82,;46.76,-26.29,;45.42,-25.52,;44.09,-26.29,;44.09,-27.83,;42.75,-28.6,;45.42,-23.98,;44.09,-23.2,;46.76,-23.21,;46.76,-21.67,;50.77,-33.19,;52.09,-32.41,;52.08,-30.87,;53.43,-33.17,;53.44,-34.72,;52.11,-35.49,;50.77,-34.73,;49.44,-35.5,)|
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(30.87,-39.19,;29.53,-38.42,;29.53,-36.88,;28.2,-39.2,;28.21,-40.75,;26.87,-41.52,;25.54,-40.75,;25.54,-39.2,;24.21,-38.43,;24.21,-36.89,;22.87,-39.2,;26.87,-38.43,;26.86,-35.67,;25.53,-34.91,;24.21,-35.68,;22.88,-34.91,;22.86,-33.38,;21.52,-32.62,;24.19,-32.6,;25.53,-33.37,;26.86,-32.59,;26.86,-31.05,;28.2,-30.28,;28.2,-28.75,;26.87,-27.97,;25.54,-28.75,;25.53,-30.29,;26.87,-26.43,;25.54,-25.66,;28.21,-25.67,;28.21,-24.13,;28.2,-33.36,;29.52,-32.59,;30.86,-31.82,;28.2,-34.9,;29.53,-35.68,;21.55,-35.68,;20.21,-34.92,;20.21,-33.38,;18.88,-35.69,;17.55,-34.92,;18.88,-37.24,;20.21,-38.01,;20.21,-39.55,;21.55,-37.24,;22.89,-38,)|
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)cccc1F |(69.74,-38.95,;68.41,-38.19,;68.4,-36.65,;67.08,-38.96,;67.08,-40.51,;65.75,-41.29,;64.41,-40.51,;64.41,-38.97,;63.08,-38.2,;63.08,-36.66,;61.75,-38.97,;65.74,-38.2,;65.73,-35.44,;64.41,-34.67,;63.08,-35.45,;61.75,-34.68,;61.74,-33.15,;60.4,-32.39,;63.06,-32.37,;64.41,-33.13,;65.73,-32.36,;65.73,-30.82,;67.08,-30.05,;67.08,-28.52,;65.74,-27.74,;64.41,-28.51,;64.41,-30.06,;65.75,-26.2,;64.41,-25.43,;67.08,-25.43,;67.08,-23.89,;67.07,-33.13,;68.39,-32.36,;69.73,-31.59,;67.07,-34.67,;68.4,-35.44,;60.42,-35.45,;60.42,-37,;61.76,-37.77,;59.09,-37.77,;57.75,-37,;57.75,-35.46,;59.08,-34.69,;59.08,-33.15,)|
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:29.33,(40.54,-55.65,;39.21,-54.89,;39.2,-53.36,;37.88,-55.67,;39.21,-56.43,;39.23,-57.98,;37.9,-58.75,;36.56,-57.99,;36.55,-59.52,;35.21,-60.28,;37.88,-60.3,;36.56,-56.45,;35.22,-55.68,;35.21,-54.15,;36.56,-53.37,;36.55,-51.81,;35.21,-51.05,;35.21,-49.51,;33.88,-51.82,;33.88,-53.37,;32.55,-54.14,;32.54,-55.68,;33.88,-56.45,;33.87,-57.98,;31.22,-53.36,;31.23,-51.81,;29.91,-51.04,;28.56,-51.8,;28.55,-53.35,;29.89,-54.14,;29.88,-55.67,;27.23,-51.02,;27.24,-49.48,;25.88,-51.78,;24.55,-51,;37.88,-51.04,;39.22,-51.81,;40.55,-52.57,;40.56,-51.04,;40.55,-49.49,;39.2,-48.72,;37.87,-49.5,;36.53,-48.74,)|
CC(C)c1ncnc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(67.26,-14.35,;68.59,-15.11,;68.6,-16.65,;69.92,-14.34,;71.25,-15.1,;72.58,-14.33,;72.57,-12.78,;71.24,-12.03,;71.23,-10.49,;69.91,-12.8,;68.58,-12.04,;68.58,-10.5,;69.92,-9.73,;69.91,-8.17,;68.57,-7.41,;68.57,-5.87,;67.24,-8.18,;67.24,-9.73,;65.91,-10.49,;65.91,-12.03,;67.24,-12.8,;65.9,-13.55,;64.59,-9.72,;64.6,-8.17,;63.28,-7.4,;61.93,-8.16,;61.92,-9.7,;63.26,-10.49,;63.25,-12.03,;60.6,-7.38,;60.61,-5.84,;59.26,-8.14,;57.93,-7.36,;71.24,-7.4,;72.58,-8.17,;72.58,-9.71,;73.91,-7.4,;73.91,-5.85,;72.56,-5.08,;71.23,-5.87,;69.89,-5.1,)|
CC(C)c1ncnc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(68.4,-31.34,;69.73,-32.1,;69.74,-33.64,;71.06,-31.33,;72.39,-32.09,;73.72,-31.32,;73.71,-29.77,;72.38,-29.02,;72.36,-27.48,;71.05,-29.79,;69.72,-29.03,;69.72,-27.49,;71.06,-26.72,;71.05,-25.16,;69.71,-24.4,;69.71,-22.86,;68.38,-25.17,;68.38,-26.72,;67.05,-27.48,;67.05,-29.02,;68.38,-29.79,;67.04,-30.54,;65.73,-26.71,;65.74,-25.16,;64.42,-24.39,;63.07,-25.15,;63.06,-26.69,;64.4,-27.48,;64.39,-29.02,;61.74,-24.37,;61.75,-22.83,;60.4,-25.13,;59.06,-24.35,;72.38,-24.39,;73.72,-25.16,;73.72,-26.7,;75.05,-24.39,;75.05,-22.84,;73.7,-22.07,;72.37,-22.86,;71.03,-22.09,)|
CC(C)c1ncnc2CCCOc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl |r|
CC(C)c1ncsc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:25.29,(68.93,-30.64,;70.25,-31.42,;70.24,-32.95,;71.59,-30.66,;73.09,-30.98,;73.85,-29.64,;72.82,-28.5,;71.41,-29.14,;70.08,-28.38,;70.07,-26.84,;71.41,-26.07,;71.41,-24.51,;70.07,-23.75,;70.06,-22.21,;68.74,-24.52,;68.74,-26.07,;67.41,-26.83,;67.4,-28.37,;68.74,-29.14,;67.4,-29.89,;66.08,-26.06,;66.09,-24.51,;64.77,-23.74,;63.43,-24.5,;63.42,-26.04,;64.76,-26.83,;64.75,-28.37,;62.1,-23.72,;62.11,-22.18,;60.76,-24.48,;59.42,-23.7,;72.74,-23.74,;74.08,-24.51,;74.08,-26.05,;75.41,-23.74,;75.4,-22.19,;74.06,-21.42,;72.73,-22.21,;71.39,-21.44,)|
CC(C)n1c2nc(c(F)cc2c(nc1=O)N1CCn2c(C1)cnc2C=C)-c1c(O)cccc1F |(4,-6.3,;2.66,-5.53,;1.33,-6.3,;2.66,-3.99,;1.33,-3.22,;.01,-3.99,;-1.33,-3.23,;-1.33,-1.68,;-2.66,-.91,;0,-.91,;1.33,-1.68,;2.66,-.91,;4,-1.68,;4,-3.22,;5.33,-3.99,;2.66,.63,;1.33,1.4,;1.33,2.94,;2.66,3.71,;4,2.94,;4,1.4,;5.14,3.97,;4.52,5.38,;2.99,5.22,;1.9,6.31,;.41,5.91,;-2.66,-4,;-2.66,-5.54,;-1.33,-6.31,;-4,-6.3,;-5.33,-5.53,;-5.33,-4,;-4,-3.22,;-4,-1.68,)|
CC(C)n1ncc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(13.29,-42.25,;14.61,-43.03,;14.6,-44.56,;15.95,-42.27,;17.45,-42.58,;18.22,-41.25,;17.18,-40.11,;17.49,-38.61,;15.77,-40.75,;14.44,-39.99,;14.43,-38.45,;15.77,-37.68,;15.77,-36.12,;14.43,-35.36,;14.42,-33.82,;13.1,-36.13,;13.1,-37.68,;11.77,-38.44,;11.77,-39.98,;13.1,-40.75,;11.76,-41.5,;10.44,-37.67,;10.45,-36.12,;9.14,-35.35,;7.79,-36.11,;7.78,-37.65,;9.12,-38.44,;9.11,-39.98,;6.46,-35.33,;6.47,-33.79,;5.12,-36.09,;3.79,-35.31,;17.1,-35.35,;18.44,-36.12,;18.44,-37.66,;19.77,-35.35,;19.76,-33.8,;18.42,-33.03,;17.09,-33.82,;15.75,-33.05,)|
CC(C)n1nccc1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:25.29,(50.7,-30.37,;52.02,-31.15,;52.01,-32.68,;53.36,-30.39,;54.86,-30.71,;55.63,-29.37,;54.59,-28.23,;53.18,-28.87,;51.85,-28.11,;51.84,-26.57,;53.18,-25.8,;53.18,-24.25,;51.84,-23.48,;51.84,-21.94,;50.51,-24.25,;50.51,-25.8,;49.18,-26.56,;49.18,-28.1,;50.51,-28.87,;49.17,-29.62,;47.86,-25.79,;47.87,-24.25,;46.55,-23.47,;45.2,-24.23,;45.19,-25.77,;46.53,-26.56,;46.52,-28.1,;43.87,-23.45,;43.88,-21.91,;42.53,-24.21,;41.2,-23.43,;54.51,-23.48,;55.85,-24.24,;55.85,-25.78,;57.18,-23.47,;57.18,-21.93,;55.83,-21.16,;54.5,-21.94,;53.16,-21.17,)|
CC(CN1CCC(C)(O)C1)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C(F)=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
CC(CN1CCC(C)(O)C1)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
CC1(C)CCCc2sc(N)c(C#N)c12
CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl
CC1(CCCc2sc(N)c(C#N)c12)C(=O)Nc1ccccc1
CC1(CCCc2sc(N)c(C#N)c12)C(O)=O
CC=C(C#N)C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12 |r|
CCC(=O)N1CCO[C@H]2CN(C[C@@H]12)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H]1CN2CCC=C(C2)c2ccc3n(CC)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1C(C)OC |r,wU:24.25,17.18,wD:49.57,8.8,12.11,c:31,(14.37,3.2,;13.6,1.86,;12.06,1.86,;11.29,.53,;11.29,3.2,;12.06,4.53,;11.29,5.86,;9.75,5.86,;8.98,4.53,;7.47,4.21,;7.31,2.68,;8.72,2.05,;9.75,3.2,;5.97,1.91,;5.97,.37,;4.64,2.68,;4.64,4.22,;3.31,1.91,;3.31,.37,;1.97,-.4,;4.64,-.4,;1.97,2.68,;1.97,4.22,;.64,1.91,;-.69,2.68,;-2.03,1.91,;-2.03,.37,;-.69,-.4,;-.69,-1.94,;-2.03,-2.71,;-3.36,-1.94,;-3.36,-.4,;-4.71,-2.71,;-4.71,-4.25,;-6.04,-5.02,;-7.38,-4.25,;-8.84,-4.72,;-9.24,-6.21,;-8.15,-7.3,;-9.75,-3.48,;-8.84,-2.23,;-8.84,-.69,;-7.51,.08,;-6.02,.48,;-6.42,-1.01,;-7.36,1.91,;-6.03,2.68,;-6.03,4.22,;-7.36,4.99,;-4.69,4.99,;-4.69,6.53,;-3.36,7.3,;-2.03,6.53,;-2.03,4.99,;-3.36,4.22,;-.69,4.22,;.64,4.99,;-7.38,-2.71,;-6.04,-1.94,;-11.29,-3.48,;-12.06,-4.81,;-13.6,-4.81,;-14.37,-3.48,;-13.6,-2.14,;-12.06,-2.14,;-11.29,-.81,;-9.75,-.81,;-12.06,.52,;-11.07,1.7,)|
CCC1(CCNC1)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
CCC=C(C#N)C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12 |r|
CCCC(CCC)COC(=O)[C@@H](C)NP(=O)(OCCNC(=O)CCl)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2C1N=C(N)NC2=O |r,c:39,t:44|
CCCCCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)NCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N2 |r|
CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@@](O)(\C=C\C=CC=CC(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2C1=O |r,w:23.22,9.8,7.7,21.20,t:15|
CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CCCC[C@H](NC(=O)CNC(=O)C[C@H](CCC)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
CCCC[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
CCN([C@@H](C(C)C)C(=O)N[C@H]1Cc2cccc(c2)-c2ccc3n(CC)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1[C@H](C)OC)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:51.57,10.9,3.2,57.62,wD:35.41,(4.5,5.03,;5.83,4.26,;5.83,2.72,;4.5,1.95,;4.5,.41,;3.16,-.36,;5.83,-.36,;3.16,2.72,;3.16,4.26,;1.83,1.95,;.49,2.72,;-.84,1.95,;-.84,.41,;.49,-.36,;.49,-1.9,;-.84,-2.67,;-2.17,-1.9,;-2.17,-.36,;-3.52,-2.66,;-3.52,-4.2,;-4.85,-4.97,;-6.19,-4.2,;-7.65,-4.68,;-8.42,-6.01,;-7.65,-7.34,;-8.56,-3.43,;-7.65,-2.18,;-7.65,-.64,;-6.32,.13,;-4.83,.52,;-5.23,-.96,;-6.17,1.95,;-4.84,2.72,;-4.84,4.26,;-6.17,5.03,;-3.51,5.03,;-3.51,6.57,;-2.17,7.34,;-.84,6.57,;-.84,5.03,;-2.17,4.26,;.49,4.26,;1.83,5.03,;-6.19,-2.66,;-4.85,-1.89,;-10.1,-3.43,;-10.87,-4.76,;-12.41,-4.76,;-13.18,-3.43,;-12.41,-2.1,;-10.87,-2.1,;-10.1,-.76,;-8.56,-.76,;-10.87,.57,;-10.1,1.9,;7.16,1.95,;7.16,.41,;8.5,2.72,;8.5,4.26,;9.96,4.74,;10.87,3.49,;9.96,2.25,;12.41,3.49,;13.18,2.16,;13.18,4.83,;12.41,6.16,)|
CCN1CCC(CC1)N(C)c1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;3.23,-7.24,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.89,1.21,;1.89,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.42,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.71,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)\C=C\CN3CCOCC3)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-3.78,;8.57,-5.32,;7.23,-6.09,;5.9,-5.32,;4.56,-6.09,;4.56,-7.63,;5.9,-8.4,;7.23,-7.63,;3.23,-8.4,;1.9,-7.63,;1.89,-6.1,;.56,-5.34,;.56,-3.8,;-.77,-3.03,;-.77,-1.49,;.56,-.72,;-.55,.39,;.54,1.48,;1.65,.37,;.54,3.02,;-.79,3.79,;1.88,3.79,;1.88,5.33,;3.21,6.1,;3.21,7.64,;1.88,8.41,;1.88,9.95,;3.21,10.72,;4.54,9.95,;4.54,8.41,;1.89,-1.49,;1.89,-3.03,;-.76,-6.1,;-2.09,-5.33,;-3.42,-6.1,;-4.76,-5.33,;-3.43,-7.64,;-2.09,-8.41,;-2.09,-9.95,;-.76,-7.64,;.58,-8.4,;-4.76,-8.41,;-4.76,-9.95,;-3.43,-10.72,;-6.08,-10.72,;-7.42,-9.96,;-7.42,-8.41,;-8.57,-7.38,;-7.94,-5.97,;-6.41,-6.13,;-6.09,-7.64,)|
CCN1CCC(CC1)Sc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CCOC(=O)[C@@H]1O[C@H]1C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F |r,wU:14.15,5.4,wD:7.8,(17.67,-21.83,;19,-22.61,;20.34,-21.86,;21.67,-22.64,;23.01,-21.89,;21.65,-24.18,;20.86,-25.51,;22.4,-25.52,;23.73,-26.31,;25.07,-25.55,;23.71,-27.85,;25.04,-28.63,;25.02,-30.17,;23.68,-30.93,;22.35,-30.15,;21.01,-30.91,;22.37,-28.61,;23.67,-32.47,;22.32,-33.23,;22.32,-34.77,;20.98,-35.53,;23.65,-35.56,;23.65,-37.09,;24.97,-37.86,;26.31,-37.09,;24.97,-39.4,;23.63,-40.17,;22.3,-39.39,;22.31,-37.85,;20.81,-37.45,;20.42,-35.96,;19.72,-38.54,;24.98,-34.79,;26.32,-35.56,;27.66,-34.79,;27.65,-33.23,;28.98,-32.46,;26.32,-32.47,;24.99,-33.24,;28.98,-35.55,;28.98,-37.09,;30.32,-37.86,;31.65,-37.09,;31.65,-35.54,;30.31,-34.78,;30.3,-33.24,)|
CCOCc1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1CC)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.51,49.58,wD:20.26,57.62,(-10.4,2.85,;-9.63,1.52,;-10.4,.19,;-9.63,-1.15,;-10.4,-2.48,;-11.94,-2.48,;-12.71,-3.82,;-11.94,-5.15,;-10.4,-5.15,;-9.63,-3.82,;-8.09,-3.82,;-7.19,-2.57,;-7.19,-1.03,;-5.85,-.26,;-4.37,.14,;-4.76,-1.35,;-5.71,1.57,;-4.37,2.34,;-4.37,3.88,;-5.71,4.65,;-3.04,4.65,;-3.04,6.19,;-1.71,6.96,;-.37,6.19,;-.37,4.65,;-1.71,3.88,;.96,3.88,;2.29,4.65,;.96,2.34,;-.37,1.57,;-.37,.03,;.96,-.74,;.96,-2.28,;2.29,-3.05,;-.37,-3.05,;-1.71,-2.28,;-1.71,-.74,;-3.05,-3.05,;-3.05,-4.59,;-4.39,-5.36,;-5.72,-4.59,;-7.19,-5.06,;-7.96,-6.4,;-7.19,-7.73,;-5.72,-3.05,;-4.39,-2.28,;2.29,1.57,;3.63,2.34,;3.63,3.88,;4.96,1.57,;4.96,.03,;6.29,-.74,;3.63,-.74,;6.29,2.34,;6.29,3.88,;7.63,1.57,;7.63,.03,;8.96,2.34,;10.43,1.86,;11.33,3.11,;10.43,4.36,;8.96,3.88,;10.83,5.84,;9.74,6.93,;12.31,6.24,;12.71,7.73,)|
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CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(C)N1CCC[C@H]1C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1=NCN=C1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O |r,c:123,t:120|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O |r|
CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CCc3c(C)[nH]c4cc(Cl)cc(Cl)c34)nn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc3cc(c2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc4ccccc4c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CCCCNC3=O)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O |r|
CC[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(=O)N[C@H]1Cc2nc(cs2)-c2ccc3n(CC)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1[C@H](C)OC |r,wU:22.22,62.69,wD:2.19,46.53,(.56,-.4,;1.89,.37,;1.89,1.91,;3.23,2.68,;4.56,1.91,;5.89,2.68,;7.38,2.28,;7.78,3.77,;6.29,4.17,;9.11,4.54,;9.11,6.08,;10.45,3.77,;11.78,3,;13.11,2.23,;12.34,.89,;13.88,.89,;14.45,3,;14.45,4.54,;15.78,2.23,;.56,2.68,;.56,4.22,;-.78,1.91,;-2.11,2.68,;-3.44,1.91,;-3.44,.37,;-4.78,-.4,;-4.78,-1.94,;-3.44,-2.71,;-2.42,-1.09,;-6.12,-2.71,;-6.12,-4.25,;-7.46,-5.02,;-8.79,-4.25,;-10.26,-4.72,;-10.65,-6.21,;-9.57,-7.3,;-11.16,-3.48,;-10.26,-2.23,;-10.26,-.69,;-8.92,.08,;-7.43,.48,;-7.83,-1.01,;-8.78,1.91,;-7.44,2.68,;-7.44,4.22,;-8.78,4.99,;-6.11,4.99,;-6.11,6.53,;-4.78,7.3,;-3.44,6.53,;-3.44,4.99,;-4.78,4.22,;-2.11,4.22,;-.78,4.99,;-8.79,-2.71,;-7.46,-1.94,;-12.7,-3.48,;-13.47,-4.81,;-15.01,-4.81,;-15.78,-3.48,;-15.01,-2.14,;-13.47,-2.14,;-12.7,-.81,;-11.16,-.81,;-13.47,.52,;-12.7,1.86,)|
CC[C@@H](N(C)C(=O)C1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(=O)N[C@H]1Cc2cccc(c2)-c2ccc3n(CC(F)(F)F)c(c(CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C1=O)c3c2)-c1cccnc1[C@H](C)OC |r,wU:24.24,68.75,wD:52.59,2.2,(3.89,.34,;2.56,1.11,;2.56,2.65,;3.89,3.42,;3.89,4.96,;5.23,2.65,;5.23,1.11,;6.56,3.42,;8.05,3.02,;8.45,4.51,;6.96,4.91,;9.78,5.28,;9.78,6.82,;11.11,4.51,;12.45,3.74,;13.78,2.97,;15.11,3.74,;13.78,4.51,;13.78,1.43,;15.11,.66,;12.45,.66,;1.22,3.42,;1.22,4.96,;-.11,2.65,;-1.44,3.42,;-2.78,2.65,;-2.78,1.11,;-1.44,.34,;-1.44,-1.2,;-2.78,-1.97,;-4.11,-1.2,;-4.11,.34,;-5.46,-1.96,;-5.46,-3.5,;-6.79,-4.27,;-8.12,-3.5,;-9.59,-3.98,;-9.99,-5.47,;-8.9,-6.55,;-9.3,-8.04,;-7.41,-6.16,;-7.81,-7.64,;-10.49,-2.73,;-9.59,-1.49,;-9.59,.05,;-8.26,.82,;-6.77,1.22,;-7.17,-.27,;-8.11,2.65,;-6.78,3.42,;-6.78,4.96,;-8.11,5.73,;-5.44,5.73,;-5.44,7.27,;-4.11,8.04,;-2.78,7.27,;-2.78,5.73,;-4.11,4.96,;-1.44,4.96,;-.11,5.73,;-8.12,-1.96,;-6.79,-1.19,;-12.03,-2.73,;-12.8,-4.07,;-14.34,-4.07,;-15.11,-2.73,;-14.34,-1.4,;-12.8,-1.4,;-12.03,-.06,;-10.49,-.06,;-12.8,1.27,;-12.03,2.6,)|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CC(=C)\C=C\COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,t:23|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCC(=C)\C=C\COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,t:24|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCC#CC#CCOC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCc2cn(CC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)nn2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCc2cnnn2CC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCc2cnnn2C[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CCCC#CC#CCOC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CCCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CCC\C=C\C(=C)CSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,t:24|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CCC\C=C\COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,t:24|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccccc2\C=C\COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,t:28|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCn2cc(COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)nn2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCn2cc(CSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)nn2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCn2nncc2CSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2cnnn2CC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCn2nncc2COC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2cn(CC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)nn2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCc2cn(C[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)nn2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=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(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=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(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
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CC[C@H](OC)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1CC)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:29.52,50.59,2.2,wD:21.27,58.63,(-7.32,.19,;-8.09,-1.15,;-9.63,-1.15,;-10.4,.19,;-9.63,1.52,;-10.4,-2.48,;-11.94,-2.48,;-12.71,-3.82,;-11.94,-5.15,;-10.4,-5.15,;-9.63,-3.82,;-8.09,-3.82,;-7.19,-2.57,;-7.19,-1.03,;-5.85,-.26,;-4.37,.14,;-4.76,-1.35,;-5.71,1.57,;-4.37,2.34,;-4.37,3.88,;-5.71,4.65,;-3.04,4.65,;-3.04,6.19,;-1.71,6.96,;-.37,6.19,;-.37,4.65,;-1.71,3.88,;.96,3.88,;2.29,4.65,;.96,2.34,;-.37,1.57,;-.37,.03,;.96,-.74,;.96,-2.28,;2.29,-3.05,;-.37,-3.05,;-1.71,-2.28,;-1.71,-.74,;-3.05,-3.05,;-3.05,-4.59,;-4.39,-5.36,;-5.72,-4.59,;-7.19,-5.06,;-7.96,-6.4,;-7.19,-7.73,;-5.72,-3.05,;-4.39,-2.28,;2.29,1.57,;3.63,2.34,;3.63,3.88,;4.96,1.57,;4.96,.03,;3.63,-.74,;6.29,-.74,;6.29,2.34,;6.29,3.88,;7.63,1.57,;7.63,.03,;8.96,2.34,;10.43,1.86,;11.33,3.11,;10.43,4.36,;8.96,3.88,;10.83,5.84,;9.74,6.93,;12.31,6.24,;12.71,7.73,)|
CC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(N)=O |r|
CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r|
CCc1ccc2[nH]ncc2c1N1CCc2c(C1)nc(OC[C@@H]1CCCN1C)nc2N1CCN(CC1)C(=O)C=C |r|
CCc1cccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:26.30,(12.18,-28.85,;13.51,-29.61,;14.85,-28.83,;16.18,-29.6,;17.52,-28.83,;17.51,-27.28,;16.18,-26.52,;16.18,-24.98,;14.85,-27.28,;13.52,-26.52,;13.51,-24.99,;14.85,-24.21,;14.85,-22.66,;13.51,-21.9,;13.51,-20.36,;12.18,-22.67,;12.18,-24.21,;10.86,-24.98,;10.85,-26.51,;12.18,-27.28,;10.84,-28.03,;9.53,-24.2,;9.54,-22.66,;8.22,-21.89,;6.88,-22.65,;6.87,-24.19,;8.2,-24.98,;8.2,-26.51,;5.55,-21.87,;5.56,-20.33,;4.21,-22.63,;2.88,-21.85,;16.17,-21.89,;17.51,-22.66,;17.52,-24.2,;18.84,-21.89,;18.84,-20.34,;17.49,-19.57,;16.17,-20.36,;14.83,-19.59,)|
CCc1cccc(CC)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(54.65,-47.19,;54.64,-45.66,;55.97,-44.88,;57.31,-45.65,;58.64,-44.87,;58.62,-43.32,;57.29,-42.57,;57.28,-41.03,;58.6,-40.25,;55.97,-43.34,;54.63,-42.58,;54.63,-41.04,;55.97,-40.27,;55.96,-38.71,;54.62,-37.95,;54.62,-36.41,;53.29,-38.72,;53.29,-40.27,;51.97,-41.03,;51.96,-42.57,;53.29,-43.34,;53.29,-44.88,;50.64,-40.26,;50.65,-38.71,;49.33,-37.94,;47.98,-38.7,;47.97,-40.24,;49.31,-41.03,;49.3,-42.57,;46.65,-37.92,;46.66,-36.38,;45.31,-38.68,;43.97,-37.9,;57.29,-37.94,;58.63,-38.71,;59.96,-39.47,;59.97,-37.94,;59.96,-36.39,;58.61,-35.62,;57.28,-36.41,;55.94,-35.64,)|
CCc1cccc2cc(O)cc(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r|
CCc1cccc2cc(O)cc(-c3nc4O[C@@H](C)[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OCC78CC(C7)OC8)nc(c3F)c45)N6)c12 |r,wU:22.46,19.47,16.16,wD:18.24,(-4.55,2.92,;-4.55,1.38,;-5.89,.61,;-7.22,1.38,;-8.55,.61,;-8.55,-.93,;-7.22,-1.7,;-7.22,-3.24,;-5.89,-4.01,;-5.89,-5.55,;-4.55,-3.24,;-4.55,-1.7,;-3.22,-.93,;-3.22,.61,;-1.89,1.38,;-2.28,2.91,;-1.23,4.05,;-2,5.39,;.27,4.05,;.84,5.38,;1.04,3.95,;1.86,3.58,;3.19,4.35,;2.58,3.05,;1.14,2.88,;.78,1.38,;2.12,.61,;2.12,-.93,;3.45,-1.7,;4.78,-.93,;6.12,-1.7,;7.52,-1.07,;8.55,-2.22,;7.21,-2.79,;7.78,-3.55,;6.28,-3.23,;.78,-1.7,;-.55,-.93,;-1.89,-1.7,;-1.89,-3.24,;-.55,.61,;2.29,5.55,;-5.89,-.93,)|
CCc1cccc2cc(O)cc(-c3nc4O[C@@H](C)[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7CC(=C)C8)nc(c3F)c45)N6)c12 |r|
CCc1cccc2cc(O)cc(-c3nc4O[C@@H](C)[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r|
CCc1cccc2cccc(N3CCc4c(C3)nc(OC[C@@H]3CCCN3C)nc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)c12 |r|
CCc1ccccc1-c1nnc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc12)-c1c(O)cccc1F |(35.05,-26.57,;36.38,-27.34,;37.72,-26.58,;39.05,-27.34,;40.39,-26.58,;40.39,-25.03,;39.05,-24.26,;37.72,-25.04,;36.39,-24.27,;35.05,-25.03,;33.72,-24.26,;33.73,-22.72,;32.41,-21.96,;32.42,-20.42,;31.1,-19.64,;29.76,-20.4,;29.75,-21.94,;31.08,-22.72,;28.43,-19.62,;28.44,-18.08,;27.09,-20.38,;25.76,-19.6,;35.06,-21.97,;35.05,-20.42,;36.38,-19.65,;36.38,-18.11,;37.72,-20.42,;37.73,-21.97,;36.39,-22.73,;39.05,-19.64,;40.38,-20.41,;40.39,-21.95,;41.72,-19.63,;41.71,-18.09,;40.36,-17.33,;39.04,-18.11,;37.7,-17.35,)|
CCn1c(-c2cn(C)cn2)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CCn1c(-c2cnc(s2)N(C)C)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CCn1c(-c2cncs2)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CCn1c(-c2cnn(C)c2)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CCn1c(-c2csc(n2)N(C)C)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CCn1c([C@@H]2CC=CN=C2COC)c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,c:6,8|
CCn1c(c2CC(C)(C)CCC[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:20.37,36.44,44.48,59.66,wD:12.17,(-8.18,-7.34,;-8.95,-6.01,;-8.18,-4.68,;-9.09,-3.43,;-8.18,-2.18,;-8.18,-.64,;-6.85,.13,;-5.36,.52,;-5.76,-.96,;-6.71,1.95,;-5.37,2.72,;-5.37,4.26,;-4.04,5.03,;-4.04,6.57,;-2.7,7.34,;-1.37,6.57,;-1.37,5.03,;-2.7,4.26,;-.04,4.26,;1.3,5.03,;-.04,2.72,;-1.37,1.95,;-1.37,.41,;-2.71,-.46,;-2.7,-1.94,;-.96,-1.92,;-.12,-.49,;-4.05,-2.66,;-4.05,-4.2,;-5.39,-4.97,;-6.72,-4.2,;-6.72,-2.66,;-5.39,-1.89,;1.3,1.95,;2.63,2.72,;2.63,4.26,;3.96,1.95,;3.96,.41,;5.3,-.36,;2.63,-.36,;5.3,2.72,;5.3,4.26,;6.63,1.95,;6.63,.41,;7.97,2.72,;7.97,4.26,;9.43,4.74,;10.33,3.49,;9.43,2.25,;11.82,3.1,;12.91,4.18,;12.22,1.61,;13.71,1.21,;-10.63,-3.43,;-11.4,-4.76,;-12.94,-4.76,;-13.71,-3.43,;-12.94,-2.1,;-11.4,-2.1,;-10.63,-.76,;-9.09,-.76,;-11.4,.57,;-10.63,1.9,)|
CCn1c(c2CC(C)(C)CN(C)C[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(ns3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1cccnc1[C@H](C)OC |r,wU:21.38,37.45,45.49,60.67,wD:13.18,(-8.18,-7.34,;-8.95,-6.01,;-8.18,-4.68,;-9.09,-3.43,;-8.18,-2.18,;-8.18,-.64,;-6.85,.13,;-5.36,.52,;-5.76,-.96,;-6.71,1.95,;-5.37,2.72,;-4.04,1.95,;-5.37,4.26,;-4.04,5.03,;-4.04,6.57,;-2.7,7.34,;-1.37,6.57,;-1.37,5.03,;-2.7,4.26,;-.04,4.26,;1.3,5.03,;-.04,2.72,;-1.37,1.95,;-1.37,.41,;-2.71,-.46,;-2.7,-1.94,;-.96,-1.92,;-.12,-.49,;-4.05,-2.66,;-4.05,-4.2,;-5.39,-4.97,;-6.72,-4.2,;-6.72,-2.66,;-5.39,-1.89,;1.3,1.95,;2.63,2.72,;2.63,4.26,;3.96,1.95,;3.96,.41,;5.3,-.36,;2.63,-.36,;5.3,2.72,;5.3,4.26,;6.63,1.95,;6.63,.41,;7.97,2.72,;7.97,4.26,;9.43,4.74,;10.33,3.49,;9.43,2.25,;11.82,3.1,;12.91,4.18,;12.22,1.61,;13.71,1.21,;-10.63,-3.43,;-11.4,-4.76,;-12.94,-4.76,;-13.71,-3.43,;-12.94,-2.1,;-11.4,-2.1,;-10.63,-.76,;-9.09,-.76,;-11.4,.57,;-10.63,1.9,)|
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CCn1c(c2CC(C)(C)COC(=O)[C@]3(C)CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1ccccc1CCOC |r,wU:22.41,40.48,13.13,wD:48.52,(-7.19,-7.73,;-7.96,-6.4,;-7.19,-5.06,;-8.09,-3.82,;-7.19,-2.57,;-7.19,-1.03,;-5.85,-.26,;-4.76,-1.35,;-4.37,.14,;-5.71,1.57,;-4.37,2.34,;-4.37,3.88,;-5.71,4.65,;-3.04,4.65,;-4.37,5.42,;-3.04,6.19,;-1.71,6.96,;-.37,6.19,;-.37,4.65,;-1.71,3.88,;.96,3.88,;2.29,4.65,;.96,2.34,;-.37,1.57,;-.37,.03,;.96,-.74,;.96,-2.28,;2.29,-3.05,;-.37,-3.05,;-1.71,-2.28,;-1.71,-.74,;-3.05,-3.05,;-3.05,-4.59,;-4.39,-5.36,;-5.72,-4.59,;-5.72,-3.05,;-4.39,-2.28,;2.29,1.57,;3.63,2.34,;3.63,3.88,;4.96,1.57,;4.96,.03,;6.29,-.74,;3.63,-.74,;6.29,2.34,;6.29,3.88,;7.63,1.57,;7.63,.03,;8.96,2.34,;10.43,1.86,;11.33,3.11,;10.43,4.36,;8.96,3.88,;10.83,5.84,;9.74,6.93,;12.31,6.24,;12.71,7.73,;-9.63,-3.82,;-10.4,-5.15,;-11.94,-5.15,;-12.71,-3.82,;-11.94,-2.48,;-10.4,-2.48,;-9.63,-1.15,;-10.4,.19,;-9.63,1.52,;-10.4,2.85,)|
CCn1c(c2CC(C)(C)C\C=C\[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(ns3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1cncnc1[C@H](C)OC |r,wU:20.37,36.44,44.48,59.66,wD:12.17,t:10,(-8.18,-7.34,;-8.95,-6.01,;-8.18,-4.68,;-9.09,-3.43,;-8.18,-2.18,;-8.18,-.64,;-6.85,.13,;-5.36,.52,;-5.76,-.96,;-6.71,1.95,;-5.37,2.72,;-5.37,4.26,;-4.04,5.03,;-4.04,6.57,;-2.7,7.34,;-1.37,6.57,;-1.37,5.03,;-2.7,4.26,;-.04,4.26,;1.3,5.03,;-.04,2.72,;-1.37,1.95,;-1.37,.41,;-2.71,-.46,;-2.7,-1.94,;-.96,-1.92,;-.12,-.49,;-4.05,-2.66,;-4.05,-4.2,;-5.39,-4.97,;-6.72,-4.2,;-6.72,-2.66,;-5.39,-1.89,;1.3,1.95,;2.63,2.72,;2.63,4.26,;3.96,1.95,;3.96,.41,;5.3,-.36,;2.63,-.36,;5.3,2.72,;5.3,4.26,;6.63,1.95,;6.63,.41,;7.97,2.72,;7.97,4.26,;9.43,4.74,;10.33,3.49,;9.43,2.25,;11.82,3.1,;12.91,4.18,;12.22,1.61,;13.71,1.21,;-10.63,-3.43,;-11.4,-4.76,;-12.94,-4.76,;-13.71,-3.43,;-12.94,-2.1,;-11.4,-2.1,;-10.63,-.76,;-9.09,-.76,;-11.4,.57,;-12.94,.57,)|
CCn1c(c2CC(C)(C)c3coc(n3)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1CCN(C1)C(=O)C=C)-c1ccccc1CCOC |r,wU:22.42,40.49,wD:14.20,(-7.19,-7.73,;-7.96,-6.4,;-7.19,-5.06,;-8.09,-3.82,;-7.19,-2.57,;-7.19,-1.03,;-5.85,-.26,;-4.37,.14,;-4.76,-1.35,;-5.71,1.57,;-7.04,2.34,;-5.71,4.65,;-4.37,3.88,;-4.37,2.34,;-3.04,4.65,;-3.04,6.19,;-1.71,6.96,;-.37,6.19,;-.37,4.65,;-1.71,3.88,;.96,3.88,;2.29,4.65,;.96,2.34,;-.37,1.57,;-.37,.03,;.96,-.74,;.96,-2.28,;2.29,-3.05,;-.37,-3.05,;-1.71,-2.28,;-1.71,-.74,;-3.05,-3.05,;-3.05,-4.59,;-4.39,-5.36,;-5.72,-4.59,;-5.72,-3.05,;-4.39,-2.28,;2.29,1.57,;3.63,2.34,;3.63,3.88,;4.96,1.57,;4.96,.03,;6.29,-.74,;3.63,-.74,;6.29,2.34,;6.29,3.88,;7.63,1.57,;7.63,.03,;8.96,2.34,;10.43,1.86,;11.33,3.11,;10.43,4.36,;8.96,3.88,;10.83,5.84,;9.74,6.93,;12.31,6.24,;12.71,7.73,;-9.63,-3.82,;-10.4,-5.15,;-11.94,-5.15,;-12.71,-3.82,;-11.94,-2.48,;-10.4,-2.48,;-9.63,-1.15,;-10.4,.19,;-9.63,1.52,;-10.4,2.85,)|
CCn1c(c2C[C@H](C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)-c1ccccc1CCOC |r,wU:20.39,38.46,6.6,wD:12.17,46.50,(-7.19,-7.73,;-7.96,-6.4,;-7.19,-5.06,;-8.09,-3.82,;-7.19,-2.57,;-7.19,-1.03,;-5.85,-.26,;-4.52,-1.03,;-5.71,1.57,;-4.37,2.34,;-4.37,3.88,;-5.71,4.65,;-3.04,4.65,;-3.04,6.19,;-1.71,6.96,;-.37,6.19,;-.37,4.65,;-1.71,3.88,;.96,3.88,;2.29,4.65,;.96,2.34,;-.37,1.57,;-.37,.03,;.96,-.74,;.96,-2.28,;2.29,-3.05,;-.37,-3.05,;-1.71,-2.28,;-1.71,-.74,;-3.05,-3.05,;-3.05,-4.59,;-4.39,-5.36,;-5.72,-4.59,;-5.72,-3.05,;-4.39,-2.28,;2.29,1.57,;3.63,2.34,;3.63,3.88,;4.96,1.57,;4.96,.03,;6.29,-.74,;3.63,-.74,;6.29,2.34,;6.29,3.88,;7.63,1.57,;7.63,.03,;8.96,2.34,;10.43,1.86,;11.33,3.11,;10.43,4.36,;8.96,3.88,;10.83,5.84,;9.74,6.93,;12.31,6.24,;12.71,7.73,;-9.63,-3.82,;-10.4,-5.15,;-11.94,-5.15,;-12.71,-3.82,;-11.94,-2.48,;-10.4,-2.48,;-9.63,-1.15,;-10.4,.19,;-9.63,1.52,;-8.86,2.85,)|
CN(C)C(=O)CCNc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |(9.33,-1.92,;8,-2.69,;8,-4.23,;6.67,-1.92,;6.67,-.38,;5.33,-2.69,;4,-1.92,;2.67,-2.69,;1.33,-1.92,;1.33,-.39,;-.01,.38,;-.01,1.92,;-1.34,2.69,;-1.34,4.23,;-.01,5,;1.33,4.23,;1.33,2.69,;-.01,6.54,;-1.34,7.31,;1.33,7.31,;2.66,6.54,;-1.34,-.39,;-2.66,.38,;-4,-.39,;-5.33,.38,;-4,-1.93,;-2.66,-2.69,;-2.66,-4.23,;-1.34,-1.93,;0,-2.7,;-5.33,-2.7,;-6.67,-1.93,;-8,-2.71,;-9.33,-1.94,;-8,-4.24,;-6.66,-5.01,;-6.66,-6.55,;-5.33,-7.31,;-4.01,-6.55,;-4.01,-5.01,;-5.33,-4.24,)|
CN(C)C1CN(C1)c1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12
CN(C)CC1(CCC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-5.7,;7.23,-4.93,;7.23,-3.39,;5.9,-5.7,;4.56,-4.93,;3.46,-3.82,;4.55,-2.73,;5.65,-3.84,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(F)c(c(F)c3n2)-c2cc(O)cc3ccccc23)CC1 |(73.89,-11.38,;75.22,-12.15,;75.23,-13.69,;76.55,-11.38,;76.54,-9.83,;75.21,-9.07,;73.88,-9.84,;72.54,-9.07,;72.54,-7.52,;71.2,-6.76,;71.2,-5.22,;69.86,-4.46,;69.86,-2.92,;70.33,-4.08,;71.91,-4.02,;72.53,-2.92,;72.53,-4.45,;71.2,-2.15,;69.88,-7.53,;68.55,-6.76,;67.21,-7.52,;65.88,-6.74,;67.2,-9.06,;68.54,-9.85,;68.53,-11.39,;69.87,-9.08,;71.2,-9.85,;65.87,-9.82,;64.54,-9.04,;63.2,-9.8,;61.87,-9.02,;63.19,-11.34,;64.53,-12.12,;64.53,-13.64,;65.85,-14.41,;67.18,-13.65,;67.18,-12.12,;65.86,-11.36,;77.3,-8.5,;78.08,-9.82,)|
CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(Br)c23)CC1(F)F
CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(I)c23)CC1
CN(C)CCCOc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(9.23,-4.93,;7.9,-5.7,;7.9,-7.24,;6.57,-4.93,;5.23,-5.7,;3.9,-4.93,;2.56,-5.7,;1.23,-4.93,;1.22,-3.41,;-.11,-2.64,;-.11,-1.1,;-1.44,-.33,;-1.44,1.21,;-.11,1.98,;-1.21,3.09,;-.12,4.17,;.98,3.07,;-.12,5.71,;-1.46,6.48,;1.21,6.48,;1.21,8.02,;1.23,1.21,;1.23,-.33,;-1.43,-3.41,;-2.76,-2.64,;-4.09,-3.4,;-5.43,-2.63,;-4.09,-4.94,;-2.75,-5.72,;-2.75,-7.26,;-1.42,-4.94,;-.09,-5.71,;-5.43,-5.71,;-5.43,-7.25,;-4.09,-8.02,;-6.75,-8.02,;-8.09,-7.26,;-8.09,-5.72,;-9.23,-4.68,;-8.61,-3.28,;-7.07,-3.44,;-6.76,-4.95,)|
CN(C)CCCOc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12
CN(C)CCOc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-5.7,;7.23,-4.93,;7.23,-3.39,;5.9,-5.7,;4.56,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CN(C)CCOc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |(7.34,-7.46,;6,-6.69,;4.67,-7.46,;6,-5.15,;4.67,-4.38,;4.67,-2.84,;3.34,-2.07,;3.34,-.53,;2,.24,;2,1.78,;.67,2.55,;.67,4.09,;2,4.86,;3.34,4.09,;3.34,2.55,;4.48,5.12,;3.85,6.53,;2.32,6.37,;1.23,7.46,;-.25,7.06,;.67,-.53,;-.66,.24,;-1.99,-.53,;-3.33,.24,;-1.99,-2.07,;-.66,-2.84,;-.66,-4.38,;.67,-2.07,;2,-2.84,;-3.33,-2.84,;-3.33,-4.38,;-4.66,-5.15,;-4.66,-6.69,;-5.99,-4.38,;-6,-2.85,;-7.33,-2.09,;-7.34,-.55,;-6.02,.23,;-4.68,-.53,;-4.67,-2.07,)|
CN(C)CCOc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12
CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc12 |r|
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
CN(Cc1ccccc1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(C3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.67,;7.23,-2.44,;5.9,-1.67,;4.56,-2.44,;4.56,-3.98,;5.9,-4.75,;7.23,-3.98,;3.23,-4.75,;1.9,-3.98,;1.89,-2.46,;.56,-1.7,;.56,-.16,;-.55,.95,;.54,2.04,;1.65,.93,;-.7,2.95,;-.23,4.41,;1.31,4.41,;1.79,2.95,;2.08,5.74,;1.31,7.08,;3.62,5.74,;4.39,7.08,;-.76,-2.46,;-2.09,-1.69,;-3.43,-2.46,;-4.76,-1.69,;-3.43,-4,;-2.09,-4.77,;-2.09,-6.31,;-.76,-3.99,;.58,-4.76,;-4.76,-4.77,;-4.76,-6.31,;-3.43,-7.08,;-6.08,-7.08,;-7.42,-6.31,;-7.42,-4.77,;-8.57,-3.74,;-7.94,-2.33,;-6.41,-2.49,;-6.09,-4,)|
CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(CC3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.55,.01,;.54,1.09,;1.65,-.01,;-.79,1.86,;-.79,3.4,;.54,4.17,;1.88,3.4,;1.88,1.86,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CN1CCC(CC1)Nc1nc(N2CC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.18,;7.23,-2.95,;5.9,-2.18,;4.56,-2.95,;4.56,-4.49,;5.9,-5.26,;7.23,-4.49,;3.23,-5.26,;1.9,-4.49,;1.89,-2.96,;.56,-2.2,;.56,-.66,;-.55,.45,;.54,1.54,;-.56,2.64,;.52,3.73,;1.63,2.63,;.52,5.27,;-.81,6.04,;1.86,6.04,;1.86,7.58,;1.65,.43,;-.76,-2.97,;-2.09,-2.2,;-3.43,-2.96,;-4.76,-2.19,;-3.43,-4.5,;-2.09,-5.28,;-2.09,-6.82,;-.76,-4.5,;.58,-5.27,;-4.76,-5.27,;-4.76,-6.81,;-3.43,-7.58,;-6.08,-7.58,;-7.42,-6.82,;-7.42,-5.27,;-8.57,-4.24,;-7.94,-2.84,;-6.41,-3,;-6.09,-4.5,)|
CN1CCC(CC1)Nc1nc(N2CCC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.53,;7.23,-2.3,;5.9,-1.53,;4.56,-2.3,;4.56,-3.84,;5.9,-4.61,;7.23,-3.84,;3.23,-4.61,;1.9,-3.84,;1.89,-2.32,;.56,-1.55,;.56,-.01,;-.68,.89,;-.21,2.36,;1.33,2.36,;.93,3.87,;2.41,4.27,;2.82,2.75,;3.18,5.6,;2.41,6.94,;4.72,5.6,;5.49,6.94,;1.81,.89,;-.76,-2.32,;-2.09,-1.55,;-3.43,-2.31,;-4.76,-1.54,;-3.43,-3.86,;-2.09,-4.63,;-2.09,-6.17,;-.76,-3.85,;.58,-4.62,;-4.76,-4.62,;-4.76,-6.17,;-3.43,-6.94,;-6.08,-6.93,;-7.42,-6.17,;-7.42,-4.63,;-8.57,-3.6,;-7.94,-2.19,;-6.41,-2.35,;-6.09,-3.86,)|
CN1CCC(CC1)Nc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CN1CCC(CC1)Nc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.52,;7.23,-2.29,;5.9,-1.52,;4.56,-2.29,;4.56,-3.83,;5.9,-4.6,;7.23,-3.83,;3.23,-4.6,;1.9,-3.83,;1.89,-2.31,;.56,-1.54,;.56,-0,;-.77,.77,;-.77,2.31,;.56,3.08,;1.9,2.31,;1.9,.77,;.56,4.62,;-.77,5.39,;1.9,5.39,;1.9,6.93,;-.76,-2.31,;-2.09,-1.54,;-3.43,-2.31,;-4.76,-1.54,;-3.43,-3.85,;-2.09,-4.62,;-2.09,-6.16,;-.76,-3.84,;.58,-4.61,;-4.76,-4.62,;-4.76,-6.16,;-3.43,-6.93,;-6.08,-6.92,;-7.42,-6.16,;-7.42,-4.62,;-8.57,-3.59,;-7.94,-2.18,;-6.41,-2.34,;-6.09,-3.85,)|
CN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)|
CN1CCC(CC1)Oc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |(5.34,-8.23,;5.34,-6.69,;6.67,-5.92,;6.67,-4.38,;5.34,-3.61,;4,-4.38,;4,-5.92,;5.34,-2.07,;4,-1.3,;4,.24,;2.67,1.01,;2.67,2.55,;1.34,3.32,;1.34,4.86,;2.67,5.63,;4,4.86,;4,3.32,;5.15,5.89,;4.52,7.3,;2.99,7.14,;1.9,8.23,;.41,7.83,;1.34,.24,;.01,1.01,;-1.33,.24,;-2.66,1.01,;-1.33,-1.3,;.01,-2.07,;.01,-3.61,;1.34,-1.3,;2.67,-2.07,;-2.66,-2.07,;-2.66,-3.61,;-3.99,-4.38,;-3.99,-5.92,;-5.33,-3.61,;-5.33,-2.08,;-6.66,-1.32,;-6.67,.22,;-5.35,1,;-4.01,.24,;-4,-1.3,)|
CN1CCC(COc2nc(N3CCC4(CN(C4)C(=O)C=C)CC3)c3cc(Cl)c(c(F)c3n2)-c2c(C)ccc3[nH]ncc23)CC1 |(9.23,-8.01,;7.9,-7.24,;7.9,-5.7,;6.56,-4.93,;5.23,-5.7,;3.9,-4.93,;2.56,-5.7,;1.23,-4.93,;1.22,-3.41,;-.11,-2.64,;-.11,-1.1,;-1.44,-.33,;-1.44,1.21,;-.11,1.98,;-1.21,3.09,;-.12,4.17,;.98,3.07,;-.12,5.71,;-1.46,6.48,;1.21,6.48,;1.21,8.02,;1.23,1.21,;1.23,-.33,;-1.43,-3.41,;-2.76,-2.64,;-4.09,-3.4,;-5.43,-2.63,;-4.09,-4.94,;-2.75,-5.72,;-2.75,-7.26,;-1.42,-4.94,;-.09,-5.71,;-5.43,-5.71,;-5.43,-7.25,;-4.09,-8.02,;-6.75,-8.02,;-8.09,-7.26,;-8.09,-5.71,;-9.23,-4.68,;-8.61,-3.28,;-7.07,-3.44,;-6.75,-4.95,;5.23,-7.24,;6.56,-8.01,)|
CN1CCC2COc3nc(c(F)c4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc(N2CC1)c34)-c1cc(O)cc2cccc(F)c12 |r|
CN1CCCC(C1)Oc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |(7.34,-7.46,;6,-6.69,;4.67,-7.46,;3.34,-6.69,;3.34,-5.15,;4.67,-4.38,;6,-5.15,;4.67,-2.84,;3.34,-2.07,;3.34,-.53,;2,.24,;2,1.78,;.67,2.55,;.67,4.09,;2,4.86,;3.34,4.09,;3.34,2.55,;4.48,5.12,;3.85,6.53,;2.32,6.37,;1.23,7.46,;-.25,7.06,;.67,-.53,;-.66,.24,;-1.99,-.53,;-3.33,.24,;-1.99,-2.07,;-.66,-2.84,;-.66,-4.38,;.67,-2.07,;2,-2.84,;-3.33,-2.84,;-3.33,-4.38,;-4.66,-5.15,;-4.66,-6.69,;-5.99,-4.38,;-6,-2.85,;-7.33,-2.09,;-7.34,-.55,;-6.02,.23,;-4.68,-.53,;-4.67,-2.07,)|
CN1CCCC1CNC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
CN1CCCC1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(7.16,-3.26,;6.76,-4.75,;7.79,-5.9,;7.02,-7.23,;5.52,-6.91,;5.36,-5.38,;4.02,-4.61,;4.02,-3.07,;2.69,-2.3,;2.69,-.76,;1.36,.01,;1.36,1.55,;.02,2.32,;.02,3.86,;1.36,4.63,;2.69,3.86,;2.69,2.32,;3.83,4.89,;3.21,6.3,;1.68,6.14,;.59,7.23,;-.9,6.83,;.02,-.76,;-1.31,.01,;-2.64,-.76,;-3.97,.01,;-2.64,-2.3,;-1.3,-3.07,;-1.3,-4.61,;.02,-2.3,;1.36,-3.07,;-3.97,-3.07,;-3.98,-4.61,;-2.64,-5.38,;-5.31,-5.38,;-6.64,-4.61,;-6.64,-3.08,;-7.79,-2.05,;-7.17,-.65,;-5.64,-.8,;-5.31,-2.3,)|
CN1CCCC1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1c(O)cccc1F |(6.59,-3.26,;6.19,-4.75,;7.22,-5.9,;6.45,-7.23,;4.94,-6.91,;4.78,-5.38,;3.45,-4.61,;3.45,-3.07,;2.11,-2.3,;2.11,-.76,;.78,.01,;.78,1.55,;-.55,2.32,;-.55,3.86,;.78,4.63,;2.11,3.86,;2.11,2.32,;3.26,4.89,;2.63,6.3,;1.1,6.14,;.01,7.23,;-1.48,6.83,;-.55,-.76,;-1.88,.01,;-3.22,-.76,;-4.55,.01,;-3.22,-2.3,;-1.88,-3.07,;-1.88,-4.61,;-.55,-2.3,;.78,-3.07,;-4.55,-3.07,;-5.89,-2.3,;-5.89,-.76,;-7.22,-3.08,;-7.21,-4.61,;-5.88,-5.38,;-4.55,-4.61,;-3.22,-5.38,)|
CN1CCCC1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |(7.25,-3.04,;6.85,-4.52,;7.88,-5.67,;7.12,-7,;5.61,-6.68,;5.45,-5.15,;4.11,-4.38,;4.11,-2.84,;2.78,-2.07,;2.78,-.53,;1.45,.24,;1.45,1.78,;.11,2.55,;.11,4.09,;1.45,4.86,;2.78,4.09,;2.78,2.55,;3.93,5.12,;3.3,6.53,;1.77,6.37,;.68,7.46,;-.81,7.06,;.11,-.53,;-1.22,.24,;-2.55,-.53,;-3.88,.24,;-2.55,-2.08,;-1.21,-2.84,;-1.21,-4.38,;.11,-2.07,;1.45,-2.84,;-3.88,-2.85,;-5.22,-2.07,;-6.55,-2.85,;-7.88,-2.08,;-6.55,-4.38,;-5.21,-5.15,;-5.21,-6.7,;-3.88,-7.46,;-2.56,-6.69,;-2.56,-5.15,;-3.88,-4.39,)|
CN1CCC[C@H]1COc1nc(N2CCN(C)CC2)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r|
CN1CCC[C@H]1COc1nc(N2CCNCC2)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r|
CN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r|
CN1CCC[C@H]1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12 |r,wU:5.6,(7.26,-3.26,;6.86,-4.75,;7.89,-5.9,;7.12,-7.23,;5.61,-6.91,;5.45,-5.38,;4.12,-4.61,;4.12,-3.07,;2.79,-2.3,;2.79,-.76,;1.45,.01,;1.45,1.55,;.12,2.32,;.12,3.86,;1.45,4.63,;2.79,3.86,;2.79,2.32,;3.93,4.89,;3.3,6.3,;1.77,6.14,;.68,7.23,;-.81,6.83,;.12,-.76,;-1.21,.01,;-2.55,-.76,;-3.88,.01,;-2.55,-2.3,;-1.21,-3.07,;-1.21,-4.61,;.12,-2.3,;1.45,-3.07,;-3.88,-3.07,;-3.88,-4.61,;-5.21,-5.38,;-5.21,-6.92,;-6.54,-4.61,;-6.55,-3.08,;-7.88,-2.32,;-7.89,-.78,;-6.57,-0,;-5.23,-.76,;-5.22,-2.3,)|
CN1CCC[C@H]1COc1nc2CC3(CCc4ccccc4C3)CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(C(CC#N)C1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(C(CCO)C1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(C(CO)C1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1c(C)c(C)cc2[nH]ncc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1c(C)ccc2[nH]ncc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1c(ccc2[nH]ncc12)C(F)(F)F |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1CC#N)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1CCO)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1CO)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(=CC(C)(C)C)C#N)c1cccc2cccc(Cl)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(=CC1CC1)C#N)c1cccc2cccc(Cl)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(C#N)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(C)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(Cl)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(c12)C(F)(F)F |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)\C=C\CF)c1cccc2cccc(Cl)c12 |r|
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12 |r|
CN1CCC[C@H]1COc1nc2C[C@@]3(CCc4ccccc4C3)CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C |r|
CN1CCC[C@H]1COc1nc2C[C@]3(CCc4ccccc4C3)CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C |r|
CN1C[C@H](F)C[C@H]1COc1nc2CN(CCc2c(n1)N1CC2CCC(C1)N2)c1cc(O)cc2cccc(Br)c12 |r|
CNC(=O)C1(C)CCCc2sc(N)c(C#N)c12
COC(=C)C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12 |r|
COC(=O)\C=C\C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F |r,wU:12.12,(17.95,-4.58,;19.28,-5.36,;20.62,-4.61,;20.64,-3.07,;21.95,-5.39,;23.29,-4.63,;24.61,-5.42,;25.96,-4.66,;24.6,-6.96,;25.92,-7.74,;25.91,-9.28,;24.57,-10.03,;23.24,-9.26,;21.9,-10.02,;23.26,-7.72,;24.55,-11.58,;23.21,-12.34,;23.2,-13.88,;21.86,-14.64,;24.54,-14.67,;24.53,-16.2,;25.86,-16.97,;27.19,-16.2,;25.86,-18.51,;24.52,-19.28,;23.19,-18.5,;23.19,-16.96,;21.7,-16.56,;21.31,-15.07,;20.61,-17.64,;25.87,-13.9,;27.21,-14.67,;28.54,-13.89,;28.54,-12.34,;29.87,-11.57,;27.2,-11.58,;25.88,-12.35,;29.87,-14.66,;29.87,-16.2,;31.2,-16.97,;32.54,-16.2,;32.53,-14.65,;31.2,-13.89,;31.19,-12.35,)|
COC(=O)\C=C\CCCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)N(Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:51.56,wD:20.26,(-12.48,2.25,;-13.47,1.07,;-12.7,-.26,;-11.16,-.26,;-13.47,-1.6,;-15.01,-1.6,;-15.78,-2.93,;-15.01,-4.27,;-13.47,-4.27,;-12.7,-2.93,;-11.16,-2.93,;-10.26,-1.69,;-10.26,-.15,;-8.92,.62,;-7.38,.62,;-8.15,-.71,;-8.78,2.45,;-7.44,3.22,;-7.44,4.76,;-8.78,5.53,;-6.11,5.53,;-6.11,7.07,;-4.78,7.84,;-3.44,7.07,;-3.44,5.53,;-4.78,4.76,;-2.11,4.76,;-.78,5.53,;-2.11,3.22,;-3.44,2.45,;-3.44,.91,;-2.11,.14,;-2.11,-1.4,;-3.44,-2.17,;-4.79,-1.39,;-4.78,.14,;-6.12,-2.16,;-6.12,-3.7,;-7.46,-4.47,;-8.79,-3.7,;-10.26,-4.18,;-10.73,-5.64,;-12.24,-5.96,;-12.56,-4.46,;-11.92,-7.47,;-13.74,-6.28,;-8.79,-2.16,;-7.46,-1.39,;-.78,2.45,;.56,3.22,;.56,4.76,;1.89,2.45,;3.23,3.22,;4.56,2.45,;5.89,3.22,;7.38,2.82,;7.78,4.31,;6.29,4.71,;9.11,5.08,;9.11,6.62,;10.45,4.31,;11.78,3.54,;13.11,2.77,;12.34,1.44,;13.88,1.44,;14.45,3.54,;14.45,5.08,;15.78,2.77,;1.89,.91,;.56,.14,;3.23,.14,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:51.56,28.53,wD:20.26,30.37,(-12.48,2.42,;-13.47,1.24,;-12.7,-.1,;-11.16,-.1,;-13.47,-1.43,;-15.01,-1.43,;-15.78,-2.76,;-15.01,-4.1,;-13.47,-4.1,;-12.7,-2.76,;-11.16,-2.76,;-10.26,-1.52,;-10.26,.02,;-8.92,.79,;-8.15,-.54,;-7.38,.79,;-8.78,2.62,;-7.44,3.39,;-7.44,4.93,;-8.78,5.7,;-6.11,5.7,;-6.11,7.24,;-4.78,8.01,;-3.44,7.24,;-3.44,5.7,;-4.78,4.93,;-2.11,4.93,;-.78,5.7,;-2.11,3.39,;-3.44,2.62,;-3.44,1.08,;-4.78,.31,;-4.78,-1.23,;-3.44,-2,;-2.11,-1.23,;-2.11,.31,;-6.12,-1.99,;-6.12,-3.53,;-7.46,-4.3,;-8.79,-3.53,;-10.26,-4.01,;-10.73,-5.47,;-12.24,-5.79,;-12.56,-4.29,;-11.92,-7.3,;-13.74,-6.11,;-8.79,-1.99,;-7.46,-1.22,;-.78,2.62,;.56,3.39,;.56,4.93,;1.89,2.62,;3.23,3.39,;4.56,2.62,;5.89,3.39,;7.38,2.99,;7.78,4.48,;6.29,4.88,;9.11,5.25,;9.11,6.79,;10.45,4.48,;11.78,3.71,;13.11,2.94,;12.34,1.61,;13.88,1.61,;14.45,3.71,;15.78,2.94,;14.45,5.25,;1.89,1.08,;3.23,.31,;.56,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C=C)C(C)C |r,wU:51.56,28.53,wD:20.26,30.37,(-10.48,2.25,;-11.47,1.07,;-10.7,-.26,;-9.16,-.26,;-11.47,-1.6,;-13.01,-1.6,;-13.78,-2.93,;-13.01,-4.27,;-11.47,-4.27,;-10.7,-2.93,;-9.16,-2.93,;-8.26,-1.69,;-8.26,-.15,;-6.92,.62,;-5.38,.62,;-6.15,-.71,;-6.78,2.45,;-5.44,3.22,;-5.44,4.76,;-6.78,5.53,;-4.11,5.53,;-4.11,7.07,;-2.78,7.84,;-1.44,7.07,;-1.44,5.53,;-2.78,4.76,;-.11,4.76,;1.22,5.53,;-.11,3.22,;-1.44,2.45,;-1.44,.91,;-2.78,.14,;-2.79,-1.39,;-1.46,-2.17,;-.11,-1.4,;-.11,.14,;-4.12,-2.16,;-4.12,-3.7,;-5.46,-4.47,;-6.79,-3.7,;-8.26,-4.18,;-8.73,-5.64,;-10.24,-5.96,;-10.56,-4.46,;-9.92,-7.47,;-11.74,-6.28,;-6.79,-2.16,;-5.46,-1.39,;1.22,2.45,;2.56,3.22,;2.56,4.76,;3.89,2.45,;5.23,3.22,;6.56,2.45,;7.89,3.22,;9.38,2.82,;9.78,4.31,;8.29,4.71,;11.11,5.08,;11.11,6.62,;12.45,4.31,;13.78,5.08,;3.89,.91,;2.56,.14,;5.23,.14,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(CF)cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)C=C |r,wU:28.55,53.62,wD:20.26,(-10.2,1.68,;-11.19,.5,;-10.42,-.83,;-8.88,-.83,;-11.19,-2.17,;-12.73,-2.17,;-13.5,-3.5,;-12.73,-4.84,;-11.19,-4.84,;-10.42,-3.5,;-8.88,-3.5,;-7.98,-2.26,;-7.98,-.72,;-6.65,.05,;-5.16,.45,;-5.56,-1.04,;-6.5,1.88,;-5.17,2.65,;-5.17,4.19,;-6.5,4.96,;-3.83,4.96,;-3.83,6.5,;-2.5,7.27,;-1.17,6.5,;-1.17,4.96,;-2.5,4.19,;.17,4.19,;1.5,4.96,;.17,2.65,;-1.17,1.88,;-1.17,.34,;.17,-.43,;.17,-1.97,;1.5,-2.74,;1.5,-4.28,;-1.18,-2.74,;-2.51,-1.96,;-2.5,-.43,;-3.85,-2.73,;-3.85,-4.27,;-5.18,-5.04,;-6.51,-4.27,;-7.98,-4.75,;-8.38,-6.24,;-7.29,-7.32,;-5.8,-6.93,;-7.69,-8.81,;-6.2,-8.41,;-6.51,-2.73,;-5.18,-1.96,;1.5,1.88,;2.83,2.65,;2.83,4.19,;4.17,1.88,;4.17,.34,;2.83,-.43,;5.5,-.43,;5.5,2.65,;5.5,4.19,;6.84,1.88,;6.84,.34,;8.17,2.65,;9.5,1.88,;10.84,2.65,;10.84,4.19,;9.5,4.96,;8.17,4.19,;10.84,5.73,;12.17,6.5,;13.5,5.73,;13.5,4.19,;12.17,3.42,;12.17,8.04,;13.5,8.81,;10.84,8.81,;9.5,8.04,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(F)cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:52.57,28.54,wD:20.26,(-11.81,2.42,;-12.8,1.24,;-12.03,-.1,;-10.49,-.1,;-12.8,-1.43,;-14.34,-1.43,;-15.11,-2.76,;-14.34,-4.1,;-12.8,-4.1,;-12.03,-2.76,;-10.49,-2.76,;-9.59,-1.52,;-9.59,.02,;-8.26,.79,;-6.72,.79,;-7.49,-.54,;-8.11,2.62,;-6.78,3.39,;-6.78,4.93,;-8.11,5.7,;-5.44,5.7,;-5.44,7.24,;-4.11,8.01,;-2.78,7.24,;-2.78,5.7,;-4.11,4.93,;-1.44,4.93,;-.11,5.7,;-1.44,3.39,;-2.78,2.62,;-2.78,1.08,;-1.44,.31,;-1.44,-1.23,;-.11,-2,;-2.78,-2,;-4.11,-1.27,;-4.11,.31,;-5.46,-1.99,;-5.46,-3.53,;-6.79,-4.3,;-8.12,-3.53,;-9.59,-4.01,;-10.06,-5.47,;-11.57,-5.79,;-11.89,-4.29,;-11.25,-7.3,;-13.08,-6.11,;-8.12,-1.99,;-6.79,-1.22,;-.11,2.62,;1.22,3.39,;1.22,4.93,;2.56,2.62,;3.89,3.39,;5.23,2.62,;6.56,3.39,;8.05,2.99,;8.45,4.48,;6.96,4.88,;9.78,5.25,;9.78,6.79,;11.11,4.48,;12.45,3.71,;13.78,2.94,;15.11,3.71,;13.78,4.48,;13.78,1.4,;15.11,.63,;12.45,.63,;2.56,1.08,;3.89,.31,;1.22,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(F)cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C=C)C(C)C |r,wU:52.57,28.54,wD:20.26,(-10.48,2.25,;-11.47,1.07,;-10.7,-.26,;-9.16,-.26,;-11.47,-1.6,;-13.01,-1.6,;-13.78,-2.93,;-13.01,-4.27,;-11.47,-4.27,;-10.7,-2.93,;-9.16,-2.93,;-8.26,-1.69,;-8.26,-.15,;-6.92,.62,;-5.38,.62,;-6.15,-.71,;-6.78,2.45,;-5.44,3.22,;-5.44,4.76,;-6.78,5.53,;-4.11,5.53,;-4.11,7.07,;-2.78,7.84,;-1.44,7.07,;-1.44,5.53,;-2.78,4.76,;-.11,4.76,;1.22,5.53,;-.11,3.22,;-1.44,2.45,;-1.44,.91,;-.11,.14,;-.11,-1.4,;1.22,-2.17,;-1.46,-2.17,;-2.79,-1.39,;-2.78,.14,;-4.12,-2.16,;-4.12,-3.7,;-5.46,-4.47,;-6.79,-3.7,;-8.26,-4.18,;-8.73,-5.64,;-10.24,-5.96,;-10.56,-4.46,;-9.92,-7.47,;-11.74,-6.28,;-6.79,-2.16,;-5.46,-1.39,;1.22,2.45,;2.56,3.22,;2.56,4.76,;3.89,2.45,;5.23,3.22,;6.56,2.45,;7.89,3.22,;9.38,2.82,;9.78,4.31,;8.29,4.71,;11.11,5.08,;11.11,6.62,;12.45,4.31,;13.78,5.08,;3.89,.91,;2.56,.14,;5.23,.14,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)C(F)F)NC(=O)C(COC1CN(C1)C(=O)C=C)C(C)C |r,w:54.71,wU:28.56,wD:20.26,(-10.48,2.42,;-11.47,1.24,;-10.7,-.1,;-9.16,-.1,;-11.47,-1.43,;-13.01,-1.43,;-13.78,-2.76,;-13.01,-4.1,;-11.47,-4.1,;-10.7,-2.76,;-9.16,-2.76,;-8.26,-1.52,;-8.26,.02,;-6.92,.79,;-5.38,.79,;-6.15,-.54,;-6.78,2.62,;-5.44,3.39,;-5.44,4.93,;-6.78,5.7,;-4.11,5.7,;-4.11,7.24,;-2.78,8.01,;-1.44,7.24,;-1.44,5.7,;-2.78,4.93,;-.11,4.93,;1.22,5.7,;-.11,3.39,;-1.44,2.62,;-1.44,1.08,;-.11,.31,;-.09,-1.23,;-1.45,-2,;-2.78,-1.23,;-2.78,.31,;-4.12,-1.99,;-4.12,-3.53,;-5.46,-4.3,;-6.79,-3.53,;-8.26,-4.01,;-8.73,-5.47,;-10.24,-5.79,;-10.56,-4.29,;-9.92,-7.3,;-11.74,-6.11,;-6.79,-1.99,;-5.46,-1.22,;1.25,-1.99,;2.58,-1.22,;1.25,-3.53,;1.22,2.62,;2.56,3.39,;2.56,4.93,;3.89,2.62,;5.23,3.39,;6.56,2.62,;7.89,3.39,;9.38,2.99,;9.78,4.48,;8.29,4.88,;11.11,5.25,;11.11,6.79,;12.45,4.48,;13.78,5.25,;3.89,1.08,;5.23,.31,;2.56,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)C(F)F)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:54.59,28.56,wD:20.26,(-11.81,2.42,;-12.8,1.24,;-12.03,-.1,;-10.49,-.1,;-12.8,-1.43,;-14.34,-1.43,;-15.11,-2.76,;-14.34,-4.1,;-12.8,-4.1,;-12.03,-2.76,;-10.49,-2.76,;-9.59,-1.52,;-9.59,.02,;-8.26,.79,;-7.49,-.54,;-6.72,.79,;-8.11,2.62,;-6.78,3.39,;-6.78,4.93,;-8.11,5.7,;-5.44,5.7,;-5.44,7.24,;-4.11,8.01,;-2.78,7.24,;-2.78,5.7,;-4.11,4.93,;-1.44,4.93,;-.11,5.7,;-1.44,3.39,;-2.78,2.62,;-2.78,1.08,;-1.44,.31,;-1.44,-1.23,;-2.78,-2,;-4.11,-1.23,;-4.11,.31,;-5.46,-1.99,;-5.46,-3.53,;-6.79,-4.3,;-8.12,-3.53,;-9.59,-4.01,;-10.06,-5.47,;-11.57,-5.79,;-11.89,-4.29,;-11.25,-7.3,;-13.08,-6.11,;-8.12,-1.99,;-6.79,-1.22,;-.11,-2,;1.22,-1.23,;-.11,-3.54,;-.11,2.62,;1.22,3.39,;1.22,4.93,;2.56,2.62,;3.89,3.39,;5.23,2.62,;6.56,3.39,;8.05,2.99,;8.45,4.48,;6.96,4.88,;9.78,5.25,;9.78,6.79,;11.11,4.48,;12.45,3.71,;13.78,2.94,;15.11,3.71,;13.78,4.48,;13.78,1.4,;15.11,.63,;12.45,.63,;2.56,1.08,;3.89,.31,;1.22,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(cc(n3)-c3ccc(n1CC(F)(F)F)c2c3)C(F)F)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2OCCN([C@@H]2C1)C(=O)C=C |r,wU:28.56,54.63,wD:20.26,64.69,69.76,(-11.07,2.45,;-12.06,1.27,;-11.29,-.06,;-9.75,-.06,;-12.06,-1.4,;-13.6,-1.4,;-14.37,-2.73,;-13.6,-4.07,;-12.06,-4.07,;-11.29,-2.73,;-9.75,-2.73,;-8.84,-1.49,;-8.84,.05,;-7.51,.82,;-6.02,1.22,;-6.42,-.27,;-7.36,2.65,;-6.03,3.42,;-6.03,4.96,;-7.36,5.73,;-4.69,5.73,;-4.69,7.27,;-3.36,8.04,;-2.03,7.27,;-2.03,5.73,;-3.36,4.96,;-.69,4.96,;.64,5.73,;-.69,3.42,;-2.03,2.65,;-2.03,1.11,;-.69,.34,;-.69,-1.2,;-2.03,-1.97,;-3.36,-1.2,;-3.36,.34,;-4.71,-1.96,;-4.71,-3.5,;-6.04,-4.27,;-7.38,-3.5,;-8.84,-3.98,;-9.24,-5.47,;-8.15,-6.55,;-6.66,-6.16,;-8.55,-8.04,;-7.06,-7.64,;-7.38,-1.96,;-6.04,-1.19,;.64,-1.97,;.64,-3.51,;1.97,-1.2,;.64,2.65,;1.97,3.42,;1.97,4.96,;3.31,2.65,;3.31,1.11,;1.97,.34,;4.64,.34,;4.64,3.42,;4.64,4.96,;5.97,2.65,;5.97,1.11,;7.31,3.42,;7.47,4.95,;8.98,5.27,;9.75,6.61,;11.29,6.61,;12.06,5.27,;11.29,3.94,;9.75,3.94,;8.72,2.8,;12.06,2.61,;11.29,1.27,;13.6,2.61,;14.37,1.27,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)C(COC1CN(C1)C(=O)C=C)C(C)C |r,w:51.68,wU:28.53,wD:20.26,(-10.48,2.25,;-11.47,1.07,;-10.7,-.26,;-9.16,-.26,;-11.47,-1.6,;-13.01,-1.6,;-13.78,-2.93,;-13.01,-4.27,;-11.47,-4.27,;-10.7,-2.93,;-9.16,-2.93,;-8.26,-1.69,;-8.26,-.15,;-6.92,.62,;-5.38,.62,;-6.15,-.71,;-6.78,2.45,;-5.44,3.22,;-5.44,4.76,;-6.78,5.53,;-4.11,5.53,;-4.11,7.07,;-2.78,7.84,;-1.44,7.07,;-1.44,5.53,;-2.78,4.76,;-.11,4.76,;1.22,5.53,;-.11,3.22,;-1.44,2.45,;-1.44,.91,;-.11,.14,;-.11,-1.4,;-1.44,-2.17,;-2.78,-1.4,;-2.78,.14,;-4.12,-2.16,;-4.12,-3.7,;-5.46,-4.47,;-6.79,-3.7,;-8.26,-4.18,;-8.73,-5.64,;-10.24,-5.96,;-10.56,-4.46,;-9.92,-7.47,;-11.74,-6.28,;-6.79,-2.16,;-5.46,-1.39,;1.22,2.45,;2.56,3.22,;2.56,4.76,;3.89,2.45,;5.23,3.22,;6.56,2.45,;7.89,3.22,;9.38,2.82,;9.78,4.31,;8.29,4.71,;11.11,5.08,;11.11,6.62,;12.45,4.31,;13.78,5.08,;3.89,.91,;5.23,.14,;2.56,.14,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:51.56,28.53,wD:20.26,(-11.81,2.42,;-12.8,1.24,;-12.03,-.1,;-10.49,-.1,;-12.8,-1.43,;-14.34,-1.43,;-15.11,-2.76,;-14.34,-4.1,;-12.8,-4.1,;-12.03,-2.76,;-10.49,-2.76,;-9.59,-1.52,;-9.59,.02,;-8.26,.79,;-7.49,-.54,;-6.72,.79,;-8.11,2.62,;-6.78,3.39,;-6.78,4.93,;-8.11,5.7,;-5.44,5.7,;-5.44,7.24,;-4.11,8.01,;-2.78,7.24,;-2.78,5.7,;-4.11,4.93,;-1.44,4.93,;-.11,5.7,;-1.44,3.39,;-2.78,2.62,;-2.78,1.08,;-1.44,.31,;-1.44,-1.23,;-2.78,-2,;-4.11,-1.23,;-4.11,.31,;-5.46,-1.99,;-5.46,-3.53,;-6.79,-4.3,;-8.12,-3.53,;-9.59,-4.01,;-10.06,-5.47,;-11.57,-5.79,;-11.89,-4.29,;-11.25,-7.3,;-13.08,-6.11,;-8.12,-1.99,;-6.79,-1.22,;-.11,2.62,;1.22,3.39,;1.22,4.93,;2.56,2.62,;3.89,3.39,;5.23,2.62,;6.56,3.39,;8.05,2.99,;8.45,4.48,;6.96,4.88,;9.78,5.25,;9.78,6.79,;11.11,4.48,;12.45,3.71,;13.78,2.94,;15.11,3.71,;13.78,4.48,;13.78,1.4,;15.11,.63,;12.45,.63,;2.56,1.08,;3.89,.31,;1.22,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C=C)C(C)C |r,wU:51.56,28.53,wD:20.26,(-10.48,2.42,;-11.47,1.24,;-10.7,-.1,;-9.16,-.1,;-11.47,-1.43,;-13.01,-1.43,;-13.78,-2.76,;-13.01,-4.1,;-11.47,-4.1,;-10.7,-2.76,;-9.16,-2.76,;-8.26,-1.52,;-8.26,.02,;-6.92,.79,;-5.38,.79,;-6.15,-.54,;-6.78,2.62,;-5.44,3.39,;-5.44,4.93,;-6.78,5.7,;-4.11,5.7,;-4.11,7.24,;-2.78,8.01,;-1.44,7.24,;-1.44,5.7,;-2.78,4.93,;-.11,4.93,;1.22,5.7,;-.11,3.39,;-1.44,2.62,;-1.44,1.08,;-.11,.31,;-.11,-1.23,;-1.44,-2,;-2.78,-1.27,;-2.78,.31,;-4.12,-1.99,;-4.12,-3.53,;-5.46,-4.3,;-6.79,-3.53,;-8.26,-4.01,;-8.73,-5.47,;-10.24,-5.79,;-10.56,-4.29,;-9.92,-7.3,;-11.74,-6.12,;-6.79,-1.99,;-5.46,-1.22,;1.22,2.62,;2.56,3.39,;2.56,4.93,;3.89,2.62,;5.23,3.39,;6.56,2.62,;7.89,3.39,;9.38,2.99,;9.78,4.48,;8.29,4.88,;11.11,5.25,;11.11,6.79,;12.45,4.48,;13.78,5.25,;3.89,1.08,;5.23,.31,;2.56,.31,)|
COC(C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:50.55,28.52,wD:20.26,(-12.48,2.42,;-13.47,1.24,;-12.7,-.1,;-11.16,-.1,;-13.47,-1.43,;-15.01,-1.43,;-15.78,-2.76,;-15.01,-4.1,;-13.47,-4.1,;-12.7,-2.76,;-11.16,-2.76,;-10.26,-1.52,;-10.26,.02,;-8.92,.79,;-7.38,.79,;-8.15,-.54,;-8.78,2.62,;-7.44,3.39,;-7.44,4.93,;-8.78,5.7,;-6.11,5.7,;-6.11,7.24,;-4.78,8.01,;-3.44,7.24,;-3.44,5.7,;-4.78,4.93,;-2.11,4.93,;-.78,5.7,;-2.11,3.39,;-3.44,2.62,;-3.44,1.08,;-4.91,.6,;-4.91,-.94,;-3.44,-1.41,;-2.54,-.17,;-6.12,-1.99,;-6.12,-3.53,;-7.46,-4.3,;-8.79,-3.53,;-10.26,-4.01,;-10.73,-5.47,;-12.24,-5.79,;-12.56,-4.29,;-11.92,-7.3,;-13.74,-6.11,;-8.79,-1.99,;-7.46,-1.22,;-.78,2.62,;.56,3.39,;.56,4.93,;1.89,2.62,;3.23,3.39,;4.56,2.62,;5.89,3.39,;7.38,2.99,;7.78,4.48,;6.29,4.88,;9.11,5.25,;9.11,6.79,;10.45,4.48,;11.78,3.71,;13.11,2.94,;12.34,1.61,;13.88,1.61,;14.45,3.71,;15.78,2.94,;14.45,5.25,;1.89,1.08,;3.23,.31,;.56,.31,)|
COC1CN2CCCC2(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3cccc(F)c23)C1
COCCc1ccccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1C(C)(C)C#N)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.54,52.61,wD:20.26,60.65,(-10.4,3.35,;-9.63,2.02,;-10.4,.68,;-9.63,-.65,;-10.4,-1.98,;-11.94,-1.98,;-12.71,-3.32,;-11.94,-4.65,;-10.4,-4.65,;-9.63,-3.32,;-8.09,-3.32,;-7.19,-2.07,;-7.19,-.53,;-5.85,.24,;-4.37,.64,;-4.76,-.85,;-5.71,2.07,;-4.37,2.84,;-4.37,4.38,;-5.71,5.15,;-3.04,5.15,;-3.04,6.69,;-1.71,7.46,;-.37,6.69,;-.37,5.15,;-1.71,4.38,;.96,4.38,;2.29,5.15,;.96,2.84,;-.37,2.07,;-.37,.53,;.96,-.24,;.96,-1.78,;2.29,-2.55,;-.37,-2.55,;-1.71,-1.78,;-1.71,-.24,;-3.05,-2.55,;-3.05,-4.09,;-4.39,-4.86,;-5.72,-4.09,;-7.19,-4.56,;-7.58,-6.05,;-9.07,-6.45,;-7.98,-7.54,;-6.5,-7.14,;-5.41,-8.23,;-5.72,-2.55,;-4.39,-1.78,;2.29,2.07,;3.63,2.84,;3.63,4.38,;4.96,2.07,;4.96,.53,;6.29,-.24,;3.63,-.24,;6.29,2.84,;6.29,4.38,;7.63,2.07,;7.63,.53,;8.96,2.84,;10.43,2.36,;11.33,3.61,;10.43,4.85,;8.96,4.38,;10.83,6.34,;9.74,7.43,;12.31,6.74,;12.71,8.23,)|
COCCc1ccccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1C(C)(C)C#N)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.54,52.61,wD:20.26,60.65,(-6.73,9.42,;-5.22,9.1,;-4.74,7.63,;-5.77,6.49,;-7.28,6.81,;-7.76,8.27,;-9.26,8.59,;-10.29,7.45,;-9.82,5.99,;-8.31,5.67,;-7.84,4.2,;-6.37,3.72,;-5.04,4.49,;-3.7,3.72,;-4.08,5.22,;-3.33,5.22,;-2.37,4.49,;-1.04,3.72,;.3,4.49,;.3,6.03,;1.63,3.72,;2.96,4.49,;4.3,3.72,;4.3,2.18,;2.96,1.41,;1.63,2.18,;2.96,-.13,;4.3,-.9,;1.63,-.9,;.3,-.13,;-1.04,-.9,;-1.04,-2.44,;-2.37,-3.21,;-2.37,-4.75,;-3.7,-2.44,;-3.7,-.9,;-2.37,-.13,;-5.04,-.13,;-7.01,-.83,;-8.16,.2,;-7.84,1.71,;-8.74,2.95,;-10.28,2.95,;-10.28,4.49,;-10.28,1.41,;-11.82,2.95,;-13.36,2.95,;-6.37,2.18,;-5.04,1.41,;1.63,-2.44,;2.96,-3.21,;4.3,-2.44,;2.96,-4.75,;1.63,-5.52,;1.63,-7.06,;.3,-4.75,;4.3,-5.52,;5.63,-4.75,;4.3,-7.06,;2.96,-7.83,;5.63,-7.83,;5.79,-9.36,;7.3,-9.68,;8.07,-8.34,;7.04,-7.2,;9.6,-8.18,;10.23,-6.78,;10.51,-9.43,;12.04,-9.27,)|
COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12 |(88.07,-36.3,;87.02,-35.17,;87.48,-33.7,;86.43,-32.57,;84.93,-32.91,;83.77,-31.89,;82.45,-32.68,;80.99,-32.22,;79.85,-33.25,;80.17,-34.76,;81.64,-35.23,;82.79,-34.19,;84.32,-34.33,;78.39,-32.78,;77.91,-31.32,;76.37,-31.32,;75.47,-30.08,;75.7,-28.56,;74.18,-28.32,;73.95,-29.84,;74.58,-26.83,;73.08,-26.43,;72.69,-27.92,;72.31,-25.1,;73.08,-23.76,;70.77,-25.1,;70,-23.77,;75.9,-32.79,;74.43,-33.27,;77.14,-33.69,;77.16,-35.23,;75.83,-36,;74.5,-35.23,;75.83,-37.54,;74.5,-38.31,;77.16,-38.32,;78.5,-37.54,;79.96,-38.01,;80.87,-36.76,;79.96,-35.52,;79.56,-34.03,;78.5,-35.99,)|
COC\C=C\C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12 |r|
COCc1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1C)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:27.49,47.56,wD:19.25,55.60,(-11.94,-.48,;-10.4,-.48,;-9.63,-1.81,;-10.4,-3.15,;-11.94,-3.15,;-12.71,-4.48,;-11.94,-5.82,;-10.4,-5.82,;-9.63,-4.48,;-8.09,-4.48,;-7.19,-3.24,;-7.19,-1.7,;-5.85,-.93,;-4.37,-.53,;-4.76,-2.02,;-5.71,.9,;-4.37,1.67,;-4.37,3.21,;-5.71,3.98,;-3.04,3.98,;-3.04,5.52,;-1.71,6.29,;-.37,5.52,;-.37,3.98,;-1.71,3.21,;.96,3.21,;2.29,3.98,;.96,1.67,;-.37,.9,;-.37,-.64,;.96,-1.41,;.96,-2.95,;2.29,-3.72,;-.37,-3.72,;-1.71,-2.95,;-1.71,-1.41,;-3.05,-3.71,;-3.05,-5.25,;-4.39,-6.02,;-5.72,-5.25,;-7.19,-5.73,;-7.96,-7.06,;-5.72,-3.71,;-4.39,-2.94,;2.29,.9,;3.63,1.67,;3.63,3.21,;4.96,.9,;4.96,-.64,;6.29,-1.41,;3.63,-1.41,;6.29,1.67,;6.29,3.21,;7.63,.9,;7.63,-.64,;8.96,1.67,;10.43,1.2,;11.33,2.44,;10.43,3.69,;8.96,3.21,;10.83,5.18,;9.74,6.26,;12.31,5.57,;12.71,7.06,)|
COCc1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc(n1CC#N)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:27.51,49.58,wD:19.25,57.62,(-11.94,.85,;-10.4,.85,;-9.63,-.48,;-10.4,-1.81,;-11.94,-1.81,;-12.71,-3.15,;-11.94,-4.48,;-10.4,-4.48,;-9.63,-3.15,;-8.09,-3.15,;-7.19,-1.9,;-7.19,-.36,;-5.85,.41,;-4.37,.81,;-4.76,-.68,;-5.71,2.24,;-4.37,3.01,;-4.37,4.55,;-5.71,5.32,;-3.04,5.32,;-3.04,6.86,;-1.71,7.63,;-.37,6.86,;-.37,5.32,;-1.71,4.55,;.96,4.55,;2.29,5.32,;.96,3.01,;-.37,2.24,;-.37,.7,;.96,-.07,;.96,-1.61,;2.29,-2.38,;-.37,-2.38,;-1.71,-1.61,;-1.71,-.07,;-3.05,-2.38,;-3.05,-3.92,;-4.39,-4.69,;-5.72,-3.92,;-7.19,-4.39,;-7.96,-5.73,;-7.19,-7.06,;-6.42,-8.4,;-5.72,-2.38,;-4.39,-1.61,;2.29,2.24,;3.63,3.01,;3.63,4.55,;4.96,2.24,;4.96,.7,;6.29,-.07,;3.63,-.07,;6.29,3.01,;6.29,4.55,;7.63,2.24,;7.63,.7,;8.96,3.01,;10.43,2.53,;11.33,3.78,;10.43,5.02,;8.96,4.55,;10.83,6.51,;9.74,7.6,;12.31,6.91,;12.71,8.4,)|
COCc1ncccc1-c1nc2ccc-3cc2n1CC(C)(C)COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H](Cc1cc(O)cc-3c1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1CCOCC1 |r|
COCc1ncccc1-c1nc2ccc-3cn2c1CC(C)(C)COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H](Cc1cc(O)cc-3c1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CO[C@@H](C)c1ncc(cc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(cc(c3)-c3ccc(n1CC(F)(F)F)c2c3)C(F)F)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)N1CCN(C)CC1 |r,wU:2.2,28.56,54.63,wD:20.26,62.67,(-11.13,1.95,;-9.59,1.95,;-8.82,.61,;-7.28,.61,;-9.59,-.72,;-11.13,-.72,;-11.9,-2.05,;-11.13,-3.39,;-9.59,-3.39,;-8.82,-2.05,;-7.28,-2.05,;-6.38,-.81,;-6.38,.73,;-5.04,1.5,;-3.95,.41,;-3.56,1.9,;-4.9,3.33,;-3.56,4.1,;-3.56,5.64,;-4.9,6.41,;-2.23,6.41,;-2.23,7.95,;-.9,8.72,;.44,7.95,;.44,6.41,;-.9,5.64,;1.77,5.64,;3.1,6.41,;1.77,4.1,;.44,3.33,;.44,1.79,;1.77,1.02,;1.77,-.53,;.43,-1.29,;-.9,-.52,;-.9,1.02,;-2.24,-1.28,;-2.24,-2.82,;-3.58,-3.59,;-4.91,-2.82,;-6.38,-3.3,;-6.78,-4.79,;-5.69,-5.88,;-6.08,-7.36,;-4.2,-5.48,;-4.6,-6.96,;-4.91,-1.28,;-3.58,-.51,;3.1,-1.3,;4.44,-.53,;3.1,-2.84,;3.1,3.33,;4.44,4.1,;4.44,5.64,;5.77,3.33,;5.77,1.79,;7.1,1.02,;4.44,1.02,;7.1,4.1,;7.1,5.64,;8.44,3.33,;8.44,1.79,;9.77,4.1,;11.24,3.63,;12.14,4.87,;11.24,6.12,;9.77,5.64,;11.64,7.6,;10.55,8.69,;13.12,8,;14.21,6.91,;-11.9,-4.72,;-13.44,-4.72,;-14.21,-6.05,;-13.44,-7.39,;-14.21,-8.72,;-11.9,-7.39,;-11.13,-6.05,)|
CO[C@@H](C)c1ncc(cc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)C1(F)CCN(CC1)C(=O)C#CC(C)(C)N(C)C)N1CCN(C)CC1 |r,wU:28.53,51.60,2.2,wD:20.26,(-11.27,3.28,;-12.04,1.95,;-11.27,.61,;-9.73,.61,;-12.04,-.72,;-13.58,-.72,;-14.35,-2.05,;-13.58,-3.39,;-12.04,-3.39,;-11.27,-2.05,;-9.73,-2.05,;-8.82,-.81,;-8.82,.73,;-7.49,1.5,;-6,1.9,;-6.4,.41,;-7.35,3.33,;-6.01,4.1,;-6.01,5.64,;-7.35,6.41,;-4.68,6.41,;-4.68,7.95,;-3.35,8.72,;-2.01,7.95,;-2.01,6.41,;-3.35,5.64,;-.68,5.64,;.66,6.41,;-.68,4.1,;-2.01,3.33,;-2.01,1.79,;-.68,1.02,;-.68,-.52,;-2.01,-1.29,;-3.35,-.52,;-3.35,1.02,;-4.69,-1.28,;-4.69,-2.82,;-6.03,-3.59,;-7.36,-2.82,;-8.82,-3.3,;-9.22,-4.79,;-8.13,-5.88,;-8.53,-7.36,;-6.65,-5.48,;-7.05,-6.96,;-7.36,-1.28,;-6.03,-.51,;.66,3.33,;1.99,4.1,;1.99,5.64,;3.32,3.33,;3.32,1.79,;1.99,1.02,;4.66,1.02,;4.66,4.1,;4.66,5.64,;5.99,3.33,;5.99,1.79,;7.32,4.1,;8.09,2.77,;8.66,3.33,;9.99,4.1,;9.99,5.64,;8.66,6.41,;7.32,5.64,;11.33,6.41,;11.33,7.95,;12.66,5.64,;13.99,4.87,;15.33,4.1,;16.66,4.87,;15.33,5.64,;15.33,2.56,;16.66,1.79,;13.99,1.79,;-14.35,-4.72,;-15.89,-4.72,;-16.66,-6.05,;-15.89,-7.39,;-16.66,-8.72,;-14.35,-7.39,;-13.58,-6.05,)|
CO[C@@H](C)c1ncc(cc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3csc(n3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C)N1CCN(C)CC1 |r,wU:2.2,28.52,50.59,wD:20.26,58.63,(-11.13,1.95,;-9.59,1.95,;-8.82,.61,;-7.28,.61,;-9.59,-.72,;-11.13,-.72,;-11.9,-2.05,;-11.13,-3.39,;-9.59,-3.39,;-8.82,-2.05,;-7.28,-2.05,;-6.38,-.81,;-6.38,.73,;-5.04,1.5,;-3.5,1.5,;-4.27,.17,;-4.9,3.33,;-3.56,4.1,;-3.56,5.64,;-4.9,6.41,;-2.23,6.41,;-2.23,7.95,;-.9,8.72,;.44,7.95,;.44,6.41,;-.9,5.64,;1.77,5.64,;3.1,6.41,;1.77,4.1,;.44,3.33,;.44,1.79,;1.47,.25,;.57,-.99,;-.9,-.52,;-.9,1.02,;-2.24,-1.28,;-2.24,-2.82,;-3.58,-3.59,;-4.91,-2.82,;-6.38,-3.3,;-6.78,-4.79,;-5.69,-5.88,;-4.2,-5.48,;-6.08,-7.36,;-4.6,-6.96,;-4.91,-1.28,;-3.58,-.51,;3.1,3.33,;4.44,4.1,;4.44,5.64,;5.77,3.33,;5.77,1.79,;4.44,1.02,;7.1,1.02,;7.1,4.1,;7.1,5.64,;8.44,3.33,;8.44,1.79,;9.77,4.1,;11.24,3.63,;12.14,4.87,;11.24,6.12,;9.77,5.64,;11.64,7.6,;10.55,8.69,;13.12,8,;14.21,6.91,;-11.9,-4.72,;-13.44,-4.72,;-14.21,-6.05,;-13.44,-7.39,;-14.21,-8.72,;-11.9,-7.39,;-11.13,-6.05,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N1CC[C@@]2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O |r,wU:28.53,2.2,51.60,wD:20.26,30.37,58.79,(-12.79,2.4,;-13.56,1.07,;-12.79,-.26,;-11.25,-.26,;-13.56,-1.6,;-15.1,-1.6,;-15.87,-2.93,;-15.1,-4.27,;-13.56,-4.27,;-12.79,-2.93,;-11.25,-2.93,;-10.35,-1.69,;-10.35,-.15,;-9.02,.62,;-7.48,.62,;-8.25,-.71,;-8.87,2.45,;-7.54,3.22,;-7.54,4.76,;-8.87,5.53,;-6.2,5.53,;-6.2,7.07,;-4.87,7.84,;-3.54,7.07,;-3.54,5.53,;-4.87,4.76,;-2.2,4.76,;-.87,5.53,;-2.2,3.22,;-3.54,2.45,;-3.54,.91,;-4.87,.14,;-4.88,-1.39,;-3.54,-2.17,;-2.2,-1.4,;-2.2,.14,;-6.22,-2.16,;-6.22,-3.7,;-7.55,-4.47,;-8.88,-3.7,;-10.35,-4.18,;-10.82,-5.64,;-12.33,-5.96,;-12.65,-4.46,;-12.01,-7.47,;-13.84,-6.28,;-8.88,-2.16,;-7.55,-1.39,;-.87,2.45,;.46,3.22,;.46,4.76,;1.8,2.45,;1.8,.91,;.46,.14,;3.13,.14,;3.13,3.22,;3.13,4.76,;4.6,5.24,;5.5,3.99,;6.41,2.75,;7.87,3.22,;7.87,4.76,;6.41,5.24,;9.21,5.53,;9.21,7.07,;10.54,4.76,;11.87,3.99,;13.21,3.22,;12.44,1.89,;13.98,1.89,;14.54,3.99,;15.87,3.22,;14.54,5.53,;4.6,2.75,;5.37,1.41,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N1CC[C@]2(CCN(C2)C(=O)C#CC(C)(C)N(C)C)C1=O |r,wU:28.53,2.2,51.60,58.79,wD:20.26,30.37,(-12.79,2.4,;-13.56,1.07,;-12.79,-.26,;-11.25,-.26,;-13.56,-1.6,;-15.1,-1.6,;-15.87,-2.93,;-15.1,-4.27,;-13.56,-4.27,;-12.79,-2.93,;-11.25,-2.93,;-10.35,-1.69,;-10.35,-.15,;-9.02,.62,;-7.48,.62,;-8.25,-.71,;-8.87,2.45,;-7.54,3.22,;-7.54,4.76,;-8.87,5.53,;-6.2,5.53,;-6.2,7.07,;-4.87,7.84,;-3.54,7.07,;-3.54,5.53,;-4.87,4.76,;-2.2,4.76,;-.87,5.53,;-2.2,3.22,;-3.54,2.45,;-3.54,.91,;-4.87,.14,;-4.88,-1.39,;-3.54,-2.17,;-2.2,-1.4,;-2.2,.14,;-6.22,-2.16,;-6.22,-3.7,;-7.55,-4.47,;-8.88,-3.7,;-10.35,-4.18,;-10.82,-5.64,;-12.33,-5.96,;-12.65,-4.46,;-12.01,-7.47,;-13.84,-6.28,;-8.88,-2.16,;-7.55,-1.39,;-.87,2.45,;.46,3.22,;.46,4.76,;1.8,2.45,;1.8,.91,;3.13,.14,;.46,.14,;3.13,3.22,;3.13,4.76,;4.6,5.24,;5.5,3.99,;6.41,2.75,;7.87,3.22,;7.87,4.76,;6.41,5.24,;9.21,5.53,;9.21,7.07,;10.54,4.76,;11.87,3.99,;13.21,3.22,;12.44,1.89,;13.98,1.89,;14.54,3.99,;15.87,3.22,;14.54,5.53,;4.6,2.75,;5.37,1.41,)|
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CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CC[C@@]2(C1)CN(CCO2)C(=O)C=C |r,wU:28.52,2.2,50.59,61.66,wD:20.26,(-9.64,1.24,;-10.41,-.1,;-9.64,-1.43,;-8.1,-1.43,;-10.41,-2.76,;-11.95,-2.76,;-12.72,-4.1,;-11.95,-5.43,;-10.41,-5.43,;-9.64,-4.1,;-8.1,-4.1,;-7.2,-2.85,;-7.2,-1.31,;-5.87,-.54,;-4.38,-.14,;-4.78,-1.63,;-5.72,1.29,;-4.39,2.06,;-4.39,3.6,;-5.72,4.37,;-3.05,4.37,;-3.05,5.91,;-1.72,6.68,;-.39,5.91,;-.39,4.37,;-1.72,3.6,;.95,3.6,;2.28,4.37,;.95,2.06,;-.39,1.29,;-.39,-.25,;-1.72,-1.02,;-1.73,-2.56,;-.4,-3.33,;.64,-1.84,;-3.07,-3.33,;-3.07,-4.87,;-4.4,-5.64,;-5.73,-4.87,;-7.2,-5.34,;-7.6,-6.83,;-6.51,-7.92,;-5.02,-7.52,;-6.91,-9.41,;-5.42,-9.01,;-5.73,-3.33,;-4.4,-2.56,;2.28,1.29,;3.61,2.06,;3.61,3.6,;4.95,1.29,;4.95,-.25,;3.61,-1.02,;6.28,-1.02,;6.28,2.06,;6.28,3.6,;7.62,1.29,;7.62,-.25,;8.95,2.06,;10.41,1.58,;11.32,2.83,;10.41,4.07,;8.95,3.6,;9.64,5.41,;10.41,6.74,;11.95,6.74,;12.72,5.41,;11.95,4.07,;9.64,8.07,;10.41,9.41,;8.1,8.07,;7.33,6.74,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1CC[C@]2(C1)CN(CCO2)C(=O)C=C |r,wU:28.52,2.2,50.59,wD:20.26,61.66,(-9.64,1.24,;-10.41,-.1,;-9.64,-1.43,;-8.1,-1.43,;-10.41,-2.76,;-11.95,-2.76,;-12.72,-4.1,;-11.95,-5.43,;-10.41,-5.43,;-9.64,-4.1,;-8.1,-4.1,;-7.2,-2.85,;-7.2,-1.31,;-5.87,-.54,;-4.38,-.14,;-4.78,-1.63,;-5.72,1.29,;-4.39,2.06,;-4.39,3.6,;-5.72,4.37,;-3.05,4.37,;-3.05,5.91,;-1.72,6.68,;-.39,5.91,;-.39,4.37,;-1.72,3.6,;.95,3.6,;2.28,4.37,;.95,2.06,;-.39,1.29,;-.39,-.25,;-1.72,-1.02,;-1.73,-2.56,;-.4,-3.33,;.64,-1.84,;-3.07,-3.33,;-3.07,-4.87,;-4.4,-5.64,;-5.73,-4.87,;-7.2,-5.34,;-7.6,-6.83,;-6.51,-7.92,;-5.02,-7.52,;-6.91,-9.41,;-5.42,-9.01,;-5.73,-3.33,;-4.4,-2.56,;2.28,1.29,;3.61,2.06,;3.61,3.6,;4.95,1.29,;4.95,-.25,;3.61,-1.02,;6.28,-1.02,;6.28,2.06,;6.28,3.6,;7.62,1.29,;7.62,-.25,;8.95,2.06,;10.41,1.58,;11.32,2.83,;10.41,4.07,;8.95,3.6,;9.64,5.41,;10.41,6.74,;11.95,6.74,;12.72,5.41,;11.95,4.07,;9.64,8.07,;10.41,9.41,;8.1,8.07,;7.33,6.74,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2OCCN([C@@H]2C1)C(=O)\C=C\C(F)F |r,wU:28.52,2.2,50.59,wD:20.26,60.65,65.72,(-12.44,2.6,;-13.21,1.27,;-12.44,-.06,;-10.9,-.06,;-13.21,-1.4,;-14.75,-1.4,;-15.52,-2.73,;-14.75,-4.07,;-13.21,-4.07,;-12.44,-2.73,;-10.9,-2.73,;-10,-1.49,;-10,.05,;-8.66,.82,;-7.17,1.22,;-7.57,-.27,;-8.52,2.65,;-7.18,3.42,;-7.18,4.96,;-8.52,5.73,;-5.85,5.73,;-5.85,7.27,;-4.52,8.04,;-3.18,7.27,;-3.18,5.73,;-4.52,4.96,;-1.85,4.96,;-.52,5.73,;-1.85,3.42,;-3.18,2.65,;-3.18,1.11,;-4.52,.34,;-4.52,-1.2,;-3.18,-1.97,;-2.22,-.39,;-5.86,-1.96,;-5.86,-3.5,;-7.2,-4.27,;-8.53,-3.5,;-10,-3.98,;-10.39,-5.47,;-9.3,-6.55,;-7.82,-6.16,;-9.7,-8.04,;-8.22,-7.64,;-8.53,-1.96,;-7.2,-1.19,;-.52,2.65,;.82,3.42,;.82,4.96,;2.15,2.65,;2.15,1.11,;.82,.34,;3.49,.34,;3.49,3.42,;3.49,4.96,;4.82,2.65,;4.82,1.11,;6.15,3.42,;6.31,4.95,;7.82,5.27,;8.59,6.61,;10.13,6.61,;10.9,5.27,;10.13,3.94,;8.59,3.94,;7.56,2.8,;10.9,2.61,;10.13,1.27,;12.44,2.61,;13.21,3.94,;14.75,3.94,;15.52,5.27,;15.52,2.61,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2OCCN([C@@H]2C1)C(=O)\C=C\CF |r,wU:28.52,2.2,50.59,wD:20.26,60.65,65.72,(-12.44,2.6,;-13.21,1.27,;-12.44,-.06,;-10.9,-.06,;-13.21,-1.4,;-14.75,-1.4,;-15.52,-2.73,;-14.75,-4.07,;-13.21,-4.07,;-12.44,-2.73,;-10.9,-2.73,;-10,-1.49,;-10,.05,;-8.66,.82,;-7.17,1.22,;-7.57,-.27,;-8.52,2.65,;-7.18,3.42,;-7.18,4.96,;-8.52,5.73,;-5.85,5.73,;-5.85,7.27,;-4.52,8.04,;-3.18,7.27,;-3.18,5.73,;-4.52,4.96,;-1.85,4.96,;-.52,5.73,;-1.85,3.42,;-3.18,2.65,;-3.18,1.11,;-4.52,.34,;-4.52,-1.2,;-3.18,-1.97,;-2.22,-.39,;-5.86,-1.96,;-5.86,-3.5,;-7.2,-4.27,;-8.53,-3.5,;-10,-3.98,;-10.39,-5.47,;-9.3,-6.55,;-7.82,-6.16,;-9.7,-8.04,;-8.22,-7.64,;-8.53,-1.96,;-7.2,-1.19,;-.52,2.65,;.82,3.42,;.82,4.96,;2.15,2.65,;2.15,1.11,;.82,.34,;3.49,.34,;3.49,3.42,;3.49,4.96,;4.82,2.65,;4.82,1.11,;6.15,3.42,;6.31,4.95,;7.82,5.27,;8.59,6.61,;10.13,6.61,;10.9,5.27,;10.13,3.94,;8.59,3.94,;7.56,2.8,;10.9,2.61,;10.13,1.27,;12.44,2.61,;13.21,3.94,;14.75,3.94,;15.52,5.27,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2OCCN([C@@H]2C1)C(=O)\C=C\CN(C)C |r,wU:28.52,2.2,50.59,wD:20.26,60.65,65.72,(-13.21,2.6,;-13.98,1.27,;-13.21,-.06,;-11.67,-.06,;-13.98,-1.4,;-15.52,-1.4,;-16.29,-2.73,;-15.52,-4.07,;-13.98,-4.07,;-13.21,-2.73,;-11.67,-2.73,;-10.77,-1.49,;-10.77,.05,;-9.43,.82,;-7.94,1.22,;-8.34,-.27,;-9.29,2.65,;-7.95,3.42,;-7.95,4.96,;-9.29,5.73,;-6.62,5.73,;-6.62,7.27,;-5.29,8.04,;-3.95,7.27,;-3.95,5.73,;-5.29,4.96,;-2.62,4.96,;-1.29,5.73,;-2.62,3.42,;-3.95,2.65,;-3.95,1.11,;-5.29,.34,;-5.29,-1.2,;-3.95,-1.97,;-2.99,-.39,;-6.63,-1.96,;-6.63,-3.5,;-7.97,-4.27,;-9.3,-3.5,;-10.77,-3.98,;-11.16,-5.47,;-10.07,-6.55,;-8.59,-6.16,;-10.47,-8.04,;-8.99,-7.64,;-9.3,-1.96,;-7.97,-1.19,;-1.29,2.65,;.05,3.42,;.05,4.96,;1.38,2.65,;1.38,1.11,;.05,.34,;2.72,.34,;2.72,3.42,;2.72,4.96,;4.05,2.65,;4.05,1.11,;5.38,3.42,;5.54,4.95,;7.05,5.27,;7.82,6.61,;9.36,6.61,;10.13,5.27,;9.36,3.94,;7.82,3.94,;6.79,2.8,;10.13,2.61,;9.36,1.27,;11.67,2.61,;12.44,3.94,;13.98,3.94,;14.75,5.27,;16.29,5.27,;13.98,6.61,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nc(cs3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r,wU:28.52,2.2,50.59,58.63,wD:20.26,(-10.1,2.57,;-10.87,1.24,;-10.1,-.1,;-8.56,-.1,;-10.87,-1.43,;-12.41,-1.43,;-13.18,-2.76,;-12.41,-4.1,;-10.87,-4.1,;-10.1,-2.76,;-8.56,-2.76,;-7.65,-1.52,;-7.65,.02,;-6.32,.79,;-4.83,1.19,;-5.23,-.3,;-6.17,2.62,;-4.84,3.39,;-4.84,4.93,;-6.17,5.7,;-3.51,5.7,;-3.51,7.24,;-2.17,8.01,;-.84,7.24,;-.84,5.7,;-2.17,4.93,;.49,4.93,;1.83,5.7,;.49,3.39,;-.84,2.62,;-.84,1.08,;-2.17,.31,;-2.17,-1.23,;-.51,-1.76,;.35,-.1,;-3.52,-1.99,;-3.52,-3.53,;-4.85,-4.3,;-6.19,-3.53,;-7.65,-4.01,;-8.42,-5.34,;-7.65,-6.68,;-6.88,-8.01,;-6.32,-5.91,;-8.99,-7.45,;-6.19,-1.99,;-4.85,-1.22,;1.83,2.62,;3.16,3.39,;3.16,4.93,;4.5,2.62,;4.5,1.08,;3.16,.31,;5.83,.31,;5.83,3.39,;5.83,4.93,;7.16,2.62,;7.16,1.08,;8.5,3.39,;8.5,4.93,;9.96,5.41,;10.87,4.16,;9.96,2.91,;12.41,4.16,;13.18,5.49,;13.18,2.83,;12.41,1.49,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3ncc(o3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C |r,wU:28.52,2.2,50.59,wD:20.26,58.63,(-11.86,1.08,;-12.63,-.26,;-11.86,-1.59,;-10.32,-1.59,;-12.63,-2.93,;-14.17,-2.93,;-14.94,-4.26,;-14.17,-5.59,;-12.63,-5.59,;-11.86,-4.26,;-10.32,-4.26,;-9.42,-3.01,;-9.42,-1.47,;-8.08,-.7,;-6.6,-.31,;-6.99,-1.79,;-7.94,1.13,;-6.61,1.9,;-6.61,3.44,;-7.94,4.21,;-5.27,4.21,;-5.27,5.75,;-3.94,6.52,;-2.6,5.75,;-2.6,4.21,;-3.94,3.44,;-1.27,3.44,;.06,4.21,;-1.27,1.9,;-2.6,1.13,;-2.6,-.41,;-1.58,-1.88,;-2.6,-3.49,;-3.94,-2.72,;-3.94,-1.18,;-5.29,-3.49,;-5.29,-5.03,;-6.62,-5.8,;-7.95,-5.03,;-9.42,-5.51,;-9.82,-6.99,;-8.73,-8.08,;-7.64,-9.17,;-7.64,-6.99,;-9.82,-9.17,;-7.95,-3.49,;-6.62,-2.72,;.06,1.13,;1.4,1.9,;1.4,3.44,;2.73,1.13,;2.73,-.41,;1.4,-1.18,;4.06,-1.18,;4.06,1.9,;4.06,3.44,;5.4,1.13,;5.4,-.41,;6.73,1.9,;8.2,1.42,;9.1,2.67,;8.2,3.91,;6.73,3.44,;8.59,5.4,;7.51,6.49,;10.08,5.8,;11.57,6.2,;13.06,6.59,;14.15,5.51,;14.54,6.99,;13.46,8.08,;14.94,8.48,;12.37,9.17,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nnc(o3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)N1C[C@@H]2OCCN([C@@H]2C1)C(=O)C=C |r,wU:28.52,2.2,50.59,wD:20.26,60.65,65.72,(-11.29,2.6,;-12.06,1.27,;-11.29,-.06,;-9.75,-.06,;-12.06,-1.4,;-13.6,-1.4,;-14.37,-2.73,;-13.6,-4.07,;-12.06,-4.07,;-11.29,-2.73,;-9.75,-2.73,;-8.84,-1.49,;-8.84,.05,;-7.51,.82,;-6.02,1.22,;-6.42,-.27,;-7.36,2.65,;-6.03,3.42,;-6.03,4.96,;-7.36,5.73,;-4.69,5.73,;-4.69,7.27,;-3.36,8.04,;-2.03,7.27,;-2.03,5.73,;-3.36,4.96,;-.69,4.96,;.64,5.73,;-.69,3.42,;-2.03,2.65,;-2.03,1.11,;-.82,-.39,;-2.03,-1.97,;-3.36,-1.2,;-3.36,.34,;-4.71,-1.96,;-4.71,-3.5,;-6.04,-4.27,;-7.38,-3.5,;-8.84,-3.98,;-9.24,-5.47,;-8.15,-6.55,;-8.55,-8.04,;-6.66,-6.16,;-7.06,-7.64,;-7.38,-1.96,;-6.04,-1.19,;.64,2.65,;1.97,3.42,;1.97,4.96,;3.31,2.65,;3.31,1.11,;1.97,.34,;4.64,.34,;4.64,3.42,;4.64,4.96,;5.97,2.65,;5.97,1.11,;7.31,3.42,;7.47,4.95,;8.98,5.27,;9.75,6.61,;11.29,6.61,;12.06,5.27,;11.29,3.94,;9.75,3.94,;8.72,2.8,;12.06,2.61,;11.29,1.27,;13.6,2.61,;14.37,3.94,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nnc(o3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N1CCC1 |r,wU:2.2,28.52,50.59,wD:20.26,58.63,(-11.79,.77,;-12.56,-.57,;-11.79,-1.9,;-10.25,-1.9,;-12.56,-3.23,;-14.1,-3.23,;-14.87,-4.57,;-14.1,-5.9,;-12.56,-5.9,;-11.79,-4.57,;-10.25,-4.57,;-9.34,-3.32,;-9.34,-1.78,;-8.01,-1.01,;-6.52,-.61,;-6.92,-2.1,;-7.86,.82,;-6.53,1.59,;-6.53,3.13,;-7.86,3.9,;-5.2,3.9,;-5.2,5.44,;-3.86,6.21,;-2.53,5.44,;-2.53,3.9,;-3.86,3.13,;-1.19,3.13,;.14,3.9,;-1.19,1.59,;-2.53,.82,;-2.53,-.72,;-1.47,-2.23,;-2.53,-3.8,;-3.86,-3.03,;-3.86,-1.49,;-5.21,-3.8,;-5.21,-5.34,;-6.54,-6.11,;-7.88,-5.34,;-9.34,-5.81,;-9.74,-7.3,;-8.65,-8.39,;-9.05,-9.88,;-7.16,-7.99,;-7.56,-9.48,;-7.88,-3.8,;-6.54,-3.03,;.14,.82,;1.47,1.59,;1.47,3.13,;2.81,.82,;2.81,-.72,;1.47,-1.49,;4.14,-1.49,;4.14,1.59,;4.14,3.13,;5.47,.82,;5.47,-.72,;6.81,1.59,;8.27,1.11,;9.18,2.36,;8.27,3.6,;6.81,3.13,;8.67,5.09,;7.58,6.18,;10.16,5.49,;11.65,5.89,;13.13,6.29,;14.22,5.2,;14.62,6.68,;13.53,7.77,;14.87,8.54,;14.1,9.88,;12.76,9.11,)|
CO[C@@H](C)c1ncccc1-c1c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3nsc(n3)-c3ccc(n1CC(F)(F)F)c2c3)NC(=O)[C@@H](COC1CN(C1)C(=O)C#CC(C)(C)N(C)C)C(C)C |r,wU:50.55,28.52,2.2,wD:20.26,(-15.01,1.27,;-13.47,1.27,;-12.7,-.06,;-11.16,-.06,;-13.47,-1.4,;-15.01,-1.4,;-15.78,-2.73,;-15.01,-4.07,;-13.47,-4.07,;-12.7,-2.73,;-11.16,-2.73,;-10.26,-1.49,;-10.26,.05,;-8.92,.82,;-7.43,1.22,;-7.83,-.27,;-8.78,2.65,;-7.44,3.42,;-7.44,4.96,;-8.78,5.73,;-6.11,5.73,;-6.11,7.27,;-4.78,8.04,;-3.44,7.27,;-3.44,5.73,;-4.78,4.96,;-2.11,4.96,;-.78,5.73,;-2.11,3.42,;-3.44,2.65,;-3.44,1.11,;-2.23,-.27,;-3.21,-1.49,;-4.66,-1.24,;-4.69,.21,;-6.12,-1.96,;-6.12,-3.5,;-7.46,-4.27,;-8.79,-3.5,;-10.26,-3.98,;-10.65,-5.47,;-9.57,-6.55,;-9.96,-8.04,;-8.08,-6.16,;-8.48,-7.64,;-8.79,-1.96,;-7.46,-1.19,;-.78,2.65,;.56,3.42,;.56,4.96,;1.89,2.65,;3.23,3.42,;4.56,2.65,;5.89,3.42,;7.38,3.02,;7.78,4.51,;6.29,4.91,;9.11,5.28,;9.11,6.82,;10.45,4.51,;11.78,3.74,;13.11,2.97,;12.34,1.64,;13.88,1.64,;14.45,3.74,;15.78,2.97,;14.45,5.28,;1.89,1.11,;.56,.34,;3.23,.34,)|
CO[C@@H](C)c1ncccc1-c1nc2ccc-3cc2n1CC(C)(C)COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H](Cc1cc(O)cc-3c1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C=C |r|
CO[C@@H](C)c1ncccc1-c1nc2ccc-3cn2c1CC(C)(C)COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H](Cc1cccc-3c1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CC(C)(C)N(C)C |r|
COc1cc(\C=C\C(=O)c2c(F)cccc2F)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccc(F)cc2)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccc(N)cc2)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccc(cc2)N(C)C)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccccn2)cc(OC)c1OC
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1c(F)cccc1F
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
COc1ccc(Cl)cc1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O |(-6.36,-2.29,;-5.03,-3.06,;-5.03,-4.6,;-6.36,-5.38,;-6.35,-6.91,;-5.02,-7.68,;-5.02,-9.22,;-3.69,-6.92,;-3.69,-5.38,;-2.35,-4.61,;-2.35,-3.06,;-3.69,-2.29,;-1.02,-2.29,;.31,-3.06,;1.64,-2.29,;2.97,-3.06,;2.98,-4.59,;1.65,-5.37,;.31,-4.6,;-1.02,-5.37,;-1.02,-6.91,;1.64,-.75,;.31,.02,;.31,1.56,;1.64,2.33,;2.97,1.56,;2.97,.02,;1.64,3.87,;.31,4.64,;2.97,4.64,;4.43,4.18,;5.35,5.43,;4.47,6.65,;2.97,6.18,;4.87,8.13,;6.36,8.53,;3.78,9.22,)|
COc1ccc(cc1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1ccc(cc1-c1cc2c(ncnc2s1)N1CC2CCC(C1)N2)C(F)(F)F |TLB:11:17:24:20.21|
COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Br)cc12
COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Cl)cc12
COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
COc1cccc2CN(CCc12)C(=O)c1c(C)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Cl)cc12
COc1cccc2CN(CCc12)C(=O)c1c(C2CC2)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Cl)cc12
COc1cccc2CN(CCc12)C(=O)c1c(C2CC2)n(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
COc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Br)cc12
COc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
COc1cccc2cccc(N3CCc4c(C3)nc(OC[C@@H]3CCCN3C)nc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)c12 |r|
COc1ccccc1-c1nnc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc12)-c1c(O)cccc1F |(59.76,-26.22,;61.09,-26.99,;62.43,-26.23,;63.76,-26.99,;65.1,-26.23,;65.09,-24.68,;63.76,-23.91,;62.43,-24.68,;61.1,-23.92,;59.76,-24.68,;58.43,-23.91,;58.44,-22.37,;57.11,-21.61,;57.12,-20.07,;55.81,-19.29,;54.47,-20.05,;54.46,-21.59,;55.79,-22.37,;53.14,-19.27,;53.15,-17.73,;51.8,-20.03,;50.47,-19.25,;59.77,-21.62,;59.76,-20.07,;61.09,-19.3,;61.09,-17.76,;62.43,-20.07,;62.43,-21.62,;61.09,-22.38,;63.75,-19.29,;65.09,-20.06,;65.09,-21.6,;66.42,-19.29,;66.42,-17.74,;65.07,-16.98,;63.74,-17.76,;62.41,-17,)|
COc1nc(ccc1Nc1ccc(CN(C)C)cc1)-c1cccc2OCCOc12
CSCC[C@H](CC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O |r|
C[C@@H](CN(C)C)Oc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12 |r|
C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c1ccccc1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
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C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2csc4ccccc24)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@@H]1Cc2c(C[C@H]1c1c(C)ccc3[nH]ncc13)nc(OCCCN(C)C)nc2N1CCN(CC1)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(C)ccc3[nH]ncc13)nc(OC[C@H]1CCCN1C)nc2N1CCN(CC1)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(C)ccc3[nH]ncc13)ncnc2N1CCN(CC1)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(Cl)c(C)cc3[nH]ncc13)nc(nc2N1CCN(CC1)C(=O)C=C)N1CC(C1)N(C)C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(Cl)ccc3[nH]ncc13)nc(nc2N1CCN(CC1)C(=O)C=C)N1CC(C1)N(C)C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)ccc1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1cc(O)cc3ccccc13)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1cc(O)cc3ccccc13)nc(OC[C@@H]1C[C@H](F)CN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r|
C[C@@H]1Cc2c(C[C@H]1c1nc(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r|
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCN)C(N)=O |r|
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCN)CC(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)NCCC(=O)NCCC(=O)NC(CCCCN)C(N)=O |r|
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H]1Oc2nc(c(F)c3nc(OCC45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(C)cc(N)c1F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OCC45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2ccc(F)c(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OCC45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2cccc(Cl)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OCC45CCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@H]5COCCN45)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4C[C@@H](F)CN4C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC(=C)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1nc(N)cc(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)C14)c23)-c1nc(N)cc(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2cccc(Cl)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cncc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cncc2ccccc12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@@H](C5)OCc4ccc(cc4)-c4ccccc4C#N)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1c(F)c(N)cc(C)c1C(F)(F)F |r,wU:1.0,29.31,26.32,19.20,wD:31.35,13.12,(-2.17,5.47,;-1.4,4.13,;-2.45,2.82,;-2.06,1.46,;-3.39,.69,;-3.39,-.85,;-2.06,-1.62,;-2.06,-3.16,;-.73,-.85,;.61,-1.62,;1.94,-.85,;3.27,-1.62,;4.61,-.85,;5.94,-1.62,;4.7,-2.52,;5.17,-3.99,;6.71,-3.99,;7.19,-2.52,;8.43,-1.62,;7.96,-.15,;8.73,1.18,;6.42,-.15,;1.94,.69,;.61,1.46,;.96,2.8,;2.41,2.79,;3.18,4.13,;1.84,3.36,;.87,3.92,;.87,5.46,;2.41,5.46,;.1,4.13,;-.73,.69,;-4.73,-1.62,;-4.73,-3.16,;-3.39,-3.93,;-6.06,-3.93,;-6.06,-5.47,;-7.39,-3.16,;-7.39,-1.62,;-8.73,-.85,;-6.06,-.85,;-6.06,.69,;-7.39,1.46,;-4.73,1.46,;-6.06,2.23,)|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1c(F)c(N)ccc1C(F)(F)F |r,wU:1.0,29.31,26.32,19.20,wD:31.35,13.12,(-2.84,5.47,;-2.07,4.13,;-3.12,2.82,;-2.73,1.46,;-4.06,.69,;-4.06,-.85,;-2.73,-1.62,;-2.73,-3.16,;-1.39,-.85,;-.06,-1.62,;1.27,-.85,;2.61,-1.62,;3.94,-.85,;5.28,-1.62,;4.03,-2.52,;4.5,-3.99,;6.04,-3.99,;6.52,-2.52,;7.77,-1.62,;7.29,-.15,;8.06,1.18,;5.75,-.15,;1.27,.69,;-.06,1.46,;.3,2.8,;1.74,2.79,;2.51,4.13,;1.17,3.36,;.2,3.92,;.2,5.46,;1.74,5.46,;-.57,4.13,;-1.39,.69,;-5.39,-1.62,;-5.39,-3.16,;-4.06,-3.93,;-6.73,-3.93,;-6.73,-5.47,;-8.06,-3.16,;-8.06,-1.62,;-6.73,-.85,;-6.73,.69,;-8.06,1.46,;-5.39,1.46,;-6.73,2.23,)|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(C)c(F)c(N)c1 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(C)c(F)c(N)c1F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(F)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)cc1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)cc(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)cc(F)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2ccc(F)c(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(Cl)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc(N)c1F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2cccc(Cl)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cncc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cncc2cccc(Cl)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1nc(N)cc(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1nc(N)cc2ccccc12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1c(F)c(N)cc(C)c1C(F)(F)F |r,wU:13.12,1.0,29.31,26.32,wD:31.35,(-2.53,5.47,;-1.76,4.13,;-2.81,2.82,;-2.42,1.46,;-3.75,.69,;-3.75,-.85,;-2.42,-1.62,;-2.42,-3.16,;-1.09,-.85,;.25,-1.62,;1.58,-.85,;2.92,-1.62,;4.25,-.85,;5.58,-1.62,;4.68,-2.86,;5.92,-3.77,;6.83,-2.52,;8.08,-1.62,;7.6,-.15,;8,1.34,;9.09,.25,;6.06,-.15,;1.58,.69,;.25,1.46,;.6,2.8,;2.05,2.79,;2.82,4.13,;1.48,3.36,;.51,3.92,;.51,5.46,;2.05,5.46,;-.26,4.13,;-1.09,.69,;-5.09,-1.62,;-5.09,-3.16,;-3.75,-3.93,;-6.42,-3.93,;-6.42,-5.47,;-7.75,-3.16,;-7.75,-1.62,;-9.09,-.85,;-6.42,-.85,;-6.42,.69,;-7.75,1.46,;-5.09,1.46,;-6.42,2.23,)|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2ccccc12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2nc(N)ccc12 |r|
C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1nc(N)cc(C)c1C(F)(F)F |r|
C[C@@H]1Oc2nc(c(F)c3ncnc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r|
C[C@@H]1Oc2nc(c(F)c3ncnc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cccc2ccc(F)c(C#C)c12 |r|
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(N)cc1 |r|
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(NC(=O)C=C)cc1 |r|
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(N)c1 |r|
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r|
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(c1)N1CCN(CC1)C(=O)C=C |r|
C[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 |r|
C[C@H](CN(C)C)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C(F)=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
C[C@H](CN(C)C)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1c(Cl)c(C)cc2[nH]ncc12 |r|
C[C@H](CN1CC(C)(O)C1)NC(=O)c1cc(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2CCN(Cc2n1)c1cccc2cccc(C)c12 |r|
C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(N)=O |r|
C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)C[C@H](CCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
C[C@H](O)[C@@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](O)[C@@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H]1CN(C)CCN1c1cc(cc(n1)-c1noc(n1)[C@@]1(C)CCCc2sc(N)c(C#N)c12)N1CCN(CC1)C(=O)C=C |r|
C[C@H]1CN(CCN1c1nc(=O)n(-c2c(C)cccc2C)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(29.12,-41.85,;29.12,-40.32,;27.79,-39.53,;27.8,-37.98,;29.14,-37.23,;30.46,-38,;30.45,-39.55,;31.78,-40.32,;31.77,-41.86,;33.1,-42.63,;33.1,-44.16,;34.44,-41.86,;35.78,-42.63,;35.78,-44.17,;34.46,-44.94,;37.12,-44.93,;38.45,-44.16,;38.44,-42.61,;37.1,-41.85,;37.09,-40.32,;34.44,-40.33,;35.78,-39.55,;35.78,-38,;34.44,-37.24,;34.43,-35.7,;33.1,-38.01,;33.11,-39.55,;37.1,-37.23,;38.44,-38,;38.45,-39.54,;39.78,-37.22,;39.77,-35.68,;38.42,-34.91,;37.1,-35.69,;35.75,-34.93,;26.46,-37.21,;26.48,-35.66,;25.12,-37.97,;23.79,-37.19,)|
C[C@H]1CN(CCN1c1nc(=O)n(-c2c(ncnc2C2CC2)C2CC2)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(9.94,-54.34,;9.95,-52.81,;8.61,-52.02,;8.62,-50.47,;9.97,-49.71,;11.29,-50.49,;11.28,-52.03,;12.61,-52.81,;12.6,-54.35,;13.93,-55.12,;13.93,-56.66,;15.28,-54.36,;16.61,-55.12,;16.62,-56.66,;17.95,-57.43,;19.29,-56.65,;19.27,-55.1,;17.94,-54.35,;17.93,-52.81,;18.68,-51.48,;17.14,-51.49,;15.29,-57.44,;13.75,-57.44,;14.53,-58.77,;15.27,-52.82,;16.62,-52.04,;16.61,-50.49,;15.27,-49.72,;15.26,-48.18,;13.93,-50.49,;13.94,-52.04,;17.94,-49.71,;19.28,-50.48,;20.61,-51.25,;20.62,-49.71,;20.61,-48.16,;19.26,-47.39,;17.93,-48.18,;16.59,-47.41,;7.29,-49.69,;7.3,-48.15,;5.94,-50.45,;4.61,-49.67,)|
C[C@H]1CN(CCN1c1nc(=O)n(-c2ccccc2C(C)(C)C)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(33.78,-12.93,;33.79,-11.4,;32.46,-10.61,;32.46,-9.07,;33.81,-8.31,;35.13,-9.09,;35.12,-10.63,;36.44,-11.4,;36.44,-12.94,;37.77,-13.71,;36.43,-14.46,;39.1,-12.95,;40.44,-13.71,;41.77,-12.94,;43.1,-13.7,;43.11,-15.25,;41.77,-16.03,;40.43,-15.25,;39.1,-16.03,;37.77,-15.27,;39.11,-17.56,;37.77,-16.78,;39.1,-11.41,;40.44,-10.64,;40.43,-9.08,;39.1,-8.32,;39.09,-6.78,;37.77,-9.09,;37.77,-10.64,;41.76,-8.32,;43.1,-9.08,;43.1,-10.62,;44.43,-8.31,;44.43,-6.77,;43.08,-6,;41.75,-6.78,;40.41,-6.02,;31.13,-8.29,;31.15,-6.75,;29.79,-9.05,;28.46,-8.27,)|
C[C@H]1CN(CCN1c1nc(=O)n(-c2ccccc2C2CC2)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(10.67,-11.53,;10.68,-10,;9.35,-9.21,;9.35,-7.67,;10.7,-6.91,;12.01,-7.68,;12.01,-9.23,;13.33,-10,;13.32,-11.53,;14.65,-12.3,;13.32,-13.05,;15.99,-11.54,;17.33,-12.3,;18.66,-11.54,;19.99,-12.3,;19.99,-13.85,;18.66,-14.62,;17.32,-13.85,;15.99,-14.63,;14.45,-14.64,;15.23,-15.98,;15.99,-10.01,;17.33,-9.23,;17.32,-7.68,;15.99,-6.92,;15.98,-5.38,;14.66,-7.69,;14.66,-9.23,;18.65,-6.91,;19.99,-7.68,;19.99,-9.22,;21.32,-6.91,;21.32,-5.36,;19.97,-4.6,;18.64,-5.38,;17.3,-4.61,;8.02,-6.89,;8.04,-5.35,;6.68,-7.65,;5.35,-6.87,)|
C[C@H]1CN(CCN1c1nc(OCc2cn(C)cn2)nc2C[C@H](CCc12)c1cc(O)cc2ccccc12)C(=O)C=C |r|
C[C@H]1CN(CCN1c1ncnc2CC(CCc12)c1c(C)ccc2[nH]ncc12)C(=O)C=C |r|
Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN
Cc1[nH]c2ccccc2c1Cc1nc2ccccc2[nH]1
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(OCCO)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(30.48,-32.18,;31.94,-31.7,;33.19,-32.6,;34.43,-31.69,;33.95,-30.23,;32.41,-30.23,;31.51,-28.99,;31.75,-27.46,;30.22,-27.22,;29.99,-28.75,;30.62,-25.73,;29.13,-25.34,;28.73,-26.83,;28.35,-24,;29.12,-22.67,;26.81,-24.01,;26.04,-22.67,;35.9,-32.16,;37.03,-31.13,;38.49,-31.59,;38.83,-33.1,;40.29,-33.57,;41.43,-32.53,;42.9,-33,;44.04,-31.96,;37.69,-34.14,;36.22,-33.67,;33.2,-34.14,;31.88,-34.91,;30.54,-34.14,;31.87,-36.46,;30.54,-37.22,;33.21,-37.23,;34.54,-36.45,;36.01,-36.92,;36.91,-35.68,;36.01,-34.43,;34.54,-34.9,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)-n1cncn1)-c1c(Cl)c(C)cc2[nH]ncc12 |(32.12,-12.32,;33.58,-11.84,;34.83,-12.74,;36.07,-11.84,;35.59,-10.37,;34.05,-10.38,;33.15,-9.13,;33.39,-7.61,;31.87,-7.37,;31.63,-8.89,;32.26,-5.88,;30.77,-5.48,;30.37,-6.97,;30,-4.15,;30.76,-2.81,;28.46,-4.15,;27.68,-2.82,;37.54,-12.3,;37.86,-13.81,;39.33,-14.29,;40.47,-13.25,;40.14,-11.74,;38.67,-11.27,;41.94,-13.71,;42.42,-15.17,;43.96,-15.16,;44.43,-13.69,;43.18,-12.79,;34.85,-14.29,;33.52,-15.06,;32.18,-14.29,;33.52,-16.6,;32.18,-17.37,;34.85,-17.37,;36.18,-16.59,;37.65,-17.07,;38.56,-15.82,;37.65,-14.57,;36.18,-15.05,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)N1CCC1=O)-c1c(Cl)c(C)cc2[nH]ncc12 |(75.29,-12.15,;76.75,-11.66,;78,-12.57,;79.24,-11.66,;78.76,-10.19,;77.22,-10.2,;76.32,-8.95,;76.56,-7.43,;75.03,-7.19,;74.8,-8.72,;75.43,-5.7,;73.94,-5.3,;73.54,-6.8,;73.16,-3.97,;73.93,-2.63,;71.62,-3.97,;70.85,-2.64,;80.71,-12.13,;81.84,-11.09,;83.3,-11.56,;83.64,-13.07,;82.5,-14.11,;81.03,-13.63,;85.1,-13.54,;85.8,-14.91,;87.17,-14.2,;86.46,-12.83,;86.93,-11.36,;78.01,-14.11,;76.69,-14.88,;75.35,-14.11,;76.68,-16.42,;75.35,-17.19,;78.02,-17.19,;79.35,-16.41,;80.82,-16.89,;81.72,-15.64,;80.82,-14.39,;79.35,-14.87,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2CC(CO)Oc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(54.63,-31.99,;56.1,-31.51,;57.34,-32.41,;58.59,-31.5,;58.11,-30.04,;56.57,-30.04,;55.67,-28.8,;55.9,-27.27,;54.38,-27.04,;54.14,-28.56,;54.78,-25.54,;53.28,-25.15,;52.89,-26.64,;52.51,-23.81,;53.28,-22.48,;50.97,-23.82,;50.2,-22.49,;60.05,-31.97,;61.18,-30.94,;62.65,-31.4,;62.98,-32.91,;64.32,-33.68,;64,-35.19,;65.04,-36.33,;64.56,-37.79,;62.47,-35.35,;61.84,-33.95,;60.37,-33.47,;57.36,-33.95,;56.03,-34.72,;54.7,-33.95,;56.03,-36.26,;54.7,-37.03,;57.36,-37.03,;58.7,-36.25,;60.16,-36.73,;61.07,-35.48,;60.16,-34.23,;58.69,-34.71,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2N(CCc2c1)C(=O)CN1CC[C@H](F)C1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wU:32.37,(9.67,-51.19,;11.14,-50.71,;12.39,-51.62,;13.63,-50.71,;13.15,-49.24,;11.61,-49.25,;10.71,-48,;10.94,-46.48,;9.42,-46.24,;9.18,-47.77,;9.82,-44.75,;8.32,-44.35,;7.93,-45.84,;7.55,-43.02,;8.32,-41.68,;6.01,-43.02,;5.24,-41.69,;15.09,-51.17,;15.41,-52.68,;16.88,-53.16,;18.03,-52.11,;19.57,-52.25,;20.18,-50.83,;19.02,-49.82,;17.69,-50.61,;16.23,-50.14,;20.36,-53.58,;21.9,-53.55,;19.6,-54.92,;20.39,-56.24,;19.79,-57.66,;20.95,-58.67,;22.27,-57.89,;23.69,-58.49,;21.93,-56.38,;12.4,-53.16,;11.07,-53.93,;9.74,-53.16,;11.07,-55.47,;9.74,-56.24,;12.4,-56.24,;13.74,-55.46,;15.2,-55.94,;16.11,-54.69,;15.2,-53.44,;13.74,-53.92,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)|
Cc1cc(N)c(F)c(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c1C(F)(F)F |r,wU:14.45,17.44,31.33,wD:13.19,25.25,(-6.59,-5.75,;-6.59,-4.21,;-7.92,-3.44,;-7.92,-1.9,;-9.25,-1.13,;-6.59,-1.13,;-6.59,.41,;-5.25,-1.9,;-2.56,-.56,;-2.56,.98,;-1.22,1.75,;-1.62,3.11,;-.57,4.42,;.93,4.42,;1.7,5.75,;1.7,4.21,;2.68,3.65,;4.01,4.42,;3.24,3.08,;1.8,3.09,;1.44,1.75,;2.78,.98,;2.78,-.56,;4.11,-1.33,;5.44,-.56,;6.78,-1.33,;5.64,-2.37,;6.28,-3.77,;7.81,-3.6,;8.12,-2.09,;9.25,-1.05,;8.62,.35,;9.24,1.76,;7.09,.18,;1.44,-1.33,;.11,-.56,;-1.22,-1.33,;-1.22,-2.87,;.11,.98,;3.24,5.75,;-5.25,-3.44,;-3.92,-4.21,;-2.59,-3.44,;-3.92,-5.75,;-2.59,-4.98,)|
Cc1cc(N)nc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6CC6(CC6(F)F)C7)nc(c2F)c34)N5)c1C(F)(F)F |r|
Cc1cc(N)nc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c1C(F)(F)F |r|
Cc1cc(N)nc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4ncnc(c2F)c34)N5)c1C(F)(F)F |r|
Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OC3CCOCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-2.76,-8.02,;-4.09,-7.25,;-5.42,-8.02,;-6.75,-7.26,;-6.75,-5.72,;-7.9,-4.68,;-7.27,-3.28,;-5.74,-3.44,;-5.42,-4.95,;-4.09,-5.71,;-2.76,-4.94,;-2.76,-3.4,;-4.09,-2.63,;-1.43,-2.64,;-.09,-3.41,;1.23,-2.64,;2.56,-3.41,;2.56,-4.93,;3.9,-5.7,;5.23,-4.93,;5.23,-3.39,;6.56,-2.62,;7.9,-3.39,;7.9,-4.93,;6.56,-5.7,;1.24,-5.71,;-.09,-4.94,;-1.42,-5.72,;-1.42,-7.26,;1.23,-1.1,;-.11,-.33,;-.11,1.21,;1.23,1.98,;.12,3.09,;1.21,4.17,;2.32,3.07,;1.21,5.71,;-.12,6.48,;2.54,6.48,;2.54,8.02,;2.56,1.21,;2.56,-.33,)|
Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OCCCN3CCCCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-4.76,-8.02,;-6.09,-7.25,;-7.42,-8.02,;-8.76,-7.26,;-8.76,-5.72,;-9.9,-4.68,;-9.27,-3.28,;-7.74,-3.44,;-7.42,-4.95,;-6.09,-5.71,;-4.76,-4.94,;-4.76,-3.4,;-6.09,-2.63,;-3.43,-2.64,;-2.09,-3.41,;-.77,-2.64,;.56,-3.41,;.56,-4.93,;1.9,-5.7,;3.23,-4.93,;4.56,-5.7,;5.9,-4.93,;7.23,-5.7,;8.57,-4.93,;9.9,-5.7,;9.9,-7.24,;8.57,-8.01,;7.23,-7.24,;-.76,-5.71,;-2.09,-4.94,;-3.42,-5.72,;-3.42,-7.26,;-.77,-1.1,;-2.11,-.33,;-2.11,1.21,;-.77,1.98,;-1.88,3.09,;-.79,4.17,;.32,3.07,;-.79,5.71,;-2.12,6.48,;.54,6.48,;.54,8.02,;.56,1.21,;.56,-.33,)|
Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OCCCN3CCOCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-4.76,-8.02,;-6.09,-7.25,;-7.42,-8.02,;-8.76,-7.26,;-8.76,-5.72,;-9.9,-4.68,;-9.27,-3.28,;-7.74,-3.44,;-7.42,-4.95,;-6.09,-5.71,;-4.76,-4.94,;-4.76,-3.4,;-6.09,-2.63,;-3.43,-2.64,;-2.09,-3.41,;-.77,-2.64,;.56,-3.41,;.56,-4.93,;1.9,-5.7,;3.23,-4.93,;4.56,-5.7,;5.9,-4.93,;7.23,-5.7,;8.57,-4.93,;9.9,-5.7,;9.9,-7.24,;8.57,-8.01,;7.23,-7.24,;-.76,-5.71,;-2.09,-4.94,;-3.42,-5.72,;-3.42,-7.26,;-.77,-1.1,;-2.11,-.33,;-2.11,1.21,;-.77,1.98,;-1.88,3.09,;-.79,4.17,;.32,3.07,;-.79,5.71,;-2.12,6.48,;.54,6.48,;.54,8.02,;.56,1.21,;.56,-.33,)|
Cc1ccc2[nH]ncc2c1-c1cc2ncnc(N3CCN(CC3)C(=O)C=C)c2cc1Cl |(9.04,-15.37,;7.7,-14.6,;6.38,-15.38,;5.03,-14.61,;5.04,-13.06,;3.89,-12.03,;4.52,-10.63,;6.05,-10.79,;6.37,-12.3,;7.7,-13.07,;9.03,-12.3,;10.37,-13.07,;11.7,-12.29,;13.04,-13.06,;14.37,-12.29,;14.36,-10.74,;13.03,-9.98,;13.02,-8.44,;11.68,-7.67,;11.67,-6.13,;13,-5.36,;14.34,-6.12,;14.35,-7.66,;12.99,-3.82,;11.65,-3.05,;14.32,-3.04,;14.31,-1.5,;11.7,-10.75,;10.36,-9.99,;9.03,-10.76,;7.7,-9.99,)|
Cc1ccc2[nH]ncc2c1N1CCc2c(C1)ncnc2N1CCN(CC1)C(=O)C=C
Cc1cccc2cc(O)cc(N3CCc4c(C3)nc(OCC3(CN5CCOCC5)CC3)nc4N3CC4CCC(C3)N4)c12
Cc1cccc2cccc(N3CCc4c(C3)nc(cc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)C(=O)NC3(C)CCCNC3)c12 |r|
Cc1cccc2cccc(N3CCc4c(C3)nc(cc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)C(=O)NCC3CCCCN3)c12 |r|
Cc1cccc2cccc(N3CCc4c(C3)nc(cc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)C(=O)NC[C@H]3CCCN3)c12 |r|
Cc1ccccc1-c1nnc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc12)-c1c(O)cccc1F |(55.61,-14,;56.95,-13.24,;58.28,-14,;59.62,-13.24,;59.62,-11.69,;58.28,-10.92,;56.95,-11.7,;55.62,-10.93,;54.28,-11.69,;52.96,-10.92,;52.96,-9.39,;51.64,-8.62,;51.65,-7.08,;50.33,-6.3,;48.99,-7.06,;48.98,-8.6,;50.31,-9.38,;47.66,-6.28,;47.67,-4.74,;46.32,-7.04,;44.99,-6.26,;54.29,-8.63,;54.29,-7.09,;55.61,-6.31,;55.61,-4.77,;56.95,-7.08,;56.96,-8.63,;55.62,-9.4,;58.28,-6.3,;59.61,-7.07,;59.62,-8.61,;60.94,-6.3,;60.94,-4.76,;59.59,-4,;58.27,-4.77,;56.93,-4.01,)|
Cc1noc(n1)C1(C)CCCc2sc(N)c(C#N)c12
Clc1ccc2CN(CCc2c1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
Clc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[C@H]4NC(=O)c5ccc(O)cc45)cc23)c1 |r|
Cn1ncc2ccc(F)c(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r,wU:19.46,16.47,33.35,wD:15.21,27.27,(-5.28,1.03,;-6.31,-.12,;-7.84,.05,;-8.47,-1.36,;-7.33,-2.39,;-7.33,-3.93,;-5.99,-4.7,;-4.66,-3.93,;-3.33,-4.7,;-4.66,-2.39,;-3.33,-1.62,;-3.33,-.08,;-1.99,.69,;-2.38,2.21,;-1.34,3.36,;.16,3.35,;.74,4.68,;.94,3.25,;1.75,2.88,;3.08,3.65,;2.47,2.36,;1.03,2.19,;.68,.69,;2.01,-.08,;2.01,-1.62,;3.34,-2.39,;4.68,-1.62,;6.01,-2.39,;4.92,-3.48,;5.62,-4.85,;7.14,-4.61,;7.38,-3.09,;8.47,-2,;7.77,-.63,;8.47,.74,;6.25,-.87,;.68,-2.39,;-.66,-1.62,;-1.99,-2.39,;-1.99,-3.93,;-.66,-.08,;2.18,4.85,;-5.99,-1.62,)|
F[C@H]1CN2CCC[C@@]2(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cccc3C4CC4Cc23)C1 |r|
F[C@H]1CN2CCC[C@@]2(COc2nc3N4C[C@H]5CC[C@H](N5)[C@H]4COc4nc(c(F)c(n2)c34)-c2cccc3cccc(Cl)c23)C1 |r|
Fc1c(nc2OC[C@@H]3[C@@H]4CC[C@H](CN3c3ncnc1c23)N4)-c1cccc2cccc(Cl)c12 |r|
Fc1ccc2CN(CCc2c1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
Fc1cccc2CN(CCc12)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12
NC(=O)CC[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
NC(=O)C[C@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(N)=O |r|
NC(=O)[C@@H](NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C1CCCCC1 |r|
NC(=O)[C@H](CC1CC1)NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r|
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1COCc2cnnn2CCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r|
NCCC[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O |r|
NCCC[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(N)=O |r|
NCCC[C@H](NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(N)=O |r|
Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1
Nc1nc2c(ccc(F)c2s1)-c1nc2OC[C@@H]3[C@@H]4CC[C@H](CN3c3ncnc(c1F)c23)N4 |r|
Nc1nc2n(CCN(CCOc3ccc4ccccc4c3)S(=O)(=O)c3ccc(NO)cc3)cnc2c(=O)[nH]1
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNc2c(NCCCNC(=O)CCl)c(=O)c2=O)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)C=C)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r|
Nc1sc2CCCC(C(=O)Nc3ccccc3)c2c1C#N
O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1 |r|
O=C1CN2CCN1Cc1cc(Oc3cc(Cn4cncc4C2)ccc3C#N)ccc1CCC1CCCCC1
O=C1CN2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5C2)ccc4C#N)cc13
O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
OC1CCN(CC1)C(=S)c1c[nH]c2ccccc12
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N(CCOc1ccc2ccccc2c1)S(=O)(=O)c1ccc(NO)cc1 |r|
ONc1ccc(cc1)S(=O)(=O)NCCOc1ccc2ccccc2c1
Oc1cc(-c2c(Cl)cc3c(nc(OCCN4CCOCC4)nc3c2F)N2CCn3c(C2)cnc3C=C)c2ccccc2c1 |(-4.66,-5.54,;-4.66,-4,;-3.33,-3.23,;-3.33,-1.69,;-1.99,-.92,;-1.99,.63,;-3.33,1.4,;-.66,1.4,;.67,.63,;2,1.4,;3.34,.63,;3.34,-.91,;4.67,-1.68,;4.67,-3.22,;6,-3.99,;6,-5.53,;7.34,-6.3,;7.34,-7.84,;6,-8.61,;4.67,-7.84,;4.67,-6.3,;2,-1.68,;.67,-.91,;-.66,-1.68,;-.66,-3.22,;2,2.94,;.67,3.71,;.67,5.25,;2,6.02,;3.34,5.25,;3.34,3.71,;4.48,6.28,;3.85,7.68,;2.32,7.52,;1.23,8.61,;-.25,8.21,;-4.67,-.92,;-4.68,.63,;-6.02,1.38,;-7.34,.61,;-7.33,-.93,;-6,-1.69,;-5.99,-3.23,)|
Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N(CC2COC2)C5)c2c(cccc2c1)C#C |r,THB:36:35:15.9.14:11.12|
Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N(CCCF)C5)c2c(cccc2c1)C#C |r,THB:36:35:15.9.14:11.12|
Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(F)cccc2c1 |r|
Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(cccc2c1)C#C |r|
Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(=O)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(CF)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)c(F)ccc2c1
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r|
Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r|
Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)c(F)ccc2c1 |r|
Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C |r|
Oc1cc(-c2ncc3c(ncnc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
Oc1cc(Cl)c(I)cc1NCC(=O)N1CCN(CC1)C(=O)C=C
Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1
Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1
Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1 |r|
Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1 |r|
Oc1cc(N2CCc3c(C2)ncnc3N2CCN(CC2)C(=O)C=C)c2ccccc2c1
Oc1ccc(F)c(c1)N1CCc2c(C1)ncnc2N1CCN(CC1)C(=O)C=C
Oc1ccc2C(=O)N[C@@H](c2c1)c1c(CNCc2ccc3ccn(Cc4ccccc4)c3c2)[nH]c2ccccc12 |r|
Oc1ccc2cccc(N3CCc4c(C3)ncnc4N3CCN(CC3)C(=O)C=C)c2c1
Oc1cccc(F)c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)C=C |(15.91,-23.99,;14.37,-23.99,;13.61,-22.65,;12.06,-22.66,;11.29,-23.99,;12.07,-25.31,;11.29,-26.64,;13.61,-25.32,;14.37,-26.64,;15.91,-26.64,;16.68,-25.31,;16.68,-27.97,;15.91,-29.32,;16.67,-30.65,;15.91,-31.97,;14.36,-31.97,;13.6,-30.64,;14.37,-29.31,;13.6,-27.98,;12.05,-27.98,;18.21,-30.64,;18.98,-31.98,;20.51,-31.99,;21.3,-30.65,;20.52,-29.31,;18.98,-29.3,;22.84,-30.66,;23.61,-29.32,;23.6,-32,;25.15,-32,)|
Oc1cccc(F)c1-c1cc2c(nnc(N3CCN(CC3)C(=O)C=C)c2cc1Cl)-c1ccccc1 |(36.89,-8.61,;36.89,-7.07,;38.22,-6.29,;38.22,-4.75,;36.87,-3.99,;35.54,-4.76,;34.21,-4.01,;35.55,-6.3,;34.23,-7.07,;34.23,-8.62,;32.89,-9.39,;32.9,-10.92,;31.56,-11.69,;30.23,-10.91,;30.24,-9.38,;28.91,-8.61,;28.92,-7.07,;27.61,-6.29,;26.27,-7.06,;26.26,-8.6,;27.59,-9.38,;24.94,-6.27,;24.95,-4.73,;23.6,-7.04,;22.27,-6.25,;31.57,-8.62,;31.56,-7.08,;32.89,-6.3,;32.89,-4.77,;34.23,-11.69,;34.23,-13.23,;35.56,-14,;36.9,-13.23,;36.89,-11.69,;35.56,-10.92,)|
Oc1cccc(F)c1-c1cc2c(nnc(N3CCN(CC3)C(=O)C=C)c2cc1Cl)-c1ccccc1C1CC1 |(19.7,-36.41,;19.7,-34.87,;21.03,-34.1,;21.02,-32.55,;19.67,-31.78,;18.35,-32.57,;17.01,-31.8,;18.36,-34.1,;17.03,-34.87,;17.03,-36.42,;15.7,-37.2,;15.7,-38.73,;14.36,-39.49,;13.03,-38.72,;13.04,-37.19,;11.71,-36.41,;11.72,-34.87,;10.4,-34.1,;9.06,-34.86,;9.05,-36.4,;10.38,-37.19,;7.73,-34.08,;7.74,-32.54,;6.39,-34.84,;5.06,-34.06,;14.37,-36.42,;14.36,-34.88,;15.69,-34.11,;15.69,-32.57,;17.03,-39.49,;18.36,-38.73,;19.7,-39.49,;19.7,-41.04,;18.36,-41.81,;17.03,-41.04,;15.7,-41.81,;14.16,-41.81,;14.93,-43.15,)|
Oc1cccc(F)c1-c1cc2c(nnc(N3CCN(CC3)C(=O)C=C)c2cc1Cl)-c1ccccc1Cl |(20.15,-20.43,;20.15,-18.89,;21.48,-18.12,;21.47,-16.58,;20.13,-15.82,;18.8,-16.59,;17.46,-15.83,;18.81,-18.12,;17.48,-18.9,;17.49,-20.45,;16.15,-21.22,;16.16,-22.75,;14.82,-23.51,;13.49,-22.74,;13.5,-21.21,;12.17,-20.44,;12.18,-18.9,;10.86,-18.12,;9.52,-18.88,;9.51,-20.42,;10.85,-21.2,;8.19,-18.1,;8.21,-16.56,;6.85,-18.86,;5.53,-18.08,;14.82,-20.45,;14.82,-18.91,;16.15,-18.13,;16.14,-16.59,;17.49,-23.52,;18.82,-22.74,;20.15,-23.51,;20.15,-25.06,;18.82,-25.82,;17.48,-25.06,;16.15,-25.82,)|
Oc1cccc(F)c1-c1nc2n(CC3CC3)c(=O)nc(N3CCn4c(C3)cnc4C=C)c2cc1F |(-1.43,-5.64,;-2.77,-4.87,;-4.1,-5.64,;-5.43,-4.87,;-5.44,-3.34,;-4.11,-2.56,;-4.11,-1.02,;-2.77,-3.33,;-1.43,-2.56,;-.1,-3.32,;1.23,-2.55,;2.56,-3.32,;2.56,-4.86,;3.9,-5.63,;4.67,-6.97,;5.44,-5.64,;3.9,-2.55,;5.23,-3.32,;3.9,-1.01,;2.56,-.24,;2.56,1.3,;1.23,2.07,;1.23,3.61,;2.56,4.38,;3.9,3.61,;3.9,2.07,;5.04,4.64,;4.41,6.04,;2.88,5.88,;1.79,6.97,;.31,6.57,;1.23,-1.01,;-.1,-.25,;-1.43,-1.02,;-2.77,-.25,)|
Oc1cccc(F)c1N1CCc2c(C1)ncnc2N1CCN(CC1)C(=O)C=C
[2H]C1([2H])Oc2ccc(F)c(F)c2-c2nc3n(-c4c(OC1([2H])[2H])ccnc4C(C)C)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c3cc2Cl |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@@H](CCCC)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O)C(C)C |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O)C(C)C |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O)[C@H](C)O |r|
[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC2=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC)C(c1ccccc1)c1ccccc1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC)C(c1ccccc1)c1ccccc1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cc(F)c(F)c(F)c1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cc(F)c(F)c(F)c1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)[C@H](COC)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1[C@@H](CC=C)CCN1CC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCC)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC |r|
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[H][C@@]12CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@]1([H])C[C@@H](CN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC(C)C)NC2=O)[C@@H](C)CC)OCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)C[C@@H](CCc1ccccc1)NC(=O)[C@]1([H])CCCCN1C(=O)C(=O)C(C)(C)COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r|
[H][C@@]12CC[C@@]([H])(C1)[C@]1([H])N2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
[H][C@@]12CN(C)c3cnc4cc(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(13.02,-6.95,;11.69,-7.74,;13.03,-8.5,;13.04,-10.04,;14.38,-10.8,;11.71,-10.81,;11.72,-12.36,;10.38,-13.14,;9.05,-12.37,;7.71,-13.15,;6.38,-12.38,;6.38,-10.83,;5.05,-10.06,;7.71,-10.06,;9.05,-10.83,;10.37,-10.05,;10.36,-8.51,;9.03,-7.75,;9.02,-6.21,;10.35,-5.43,;11.69,-6.2,;10.34,-3.89,;9,-3.13,;11.67,-3.12,;11.66,-1.58,;5.05,-13.15,;3.72,-12.37,;3.72,-10.83,;2.38,-13.14,;2.38,-14.68,;3.72,-15.45,;5.05,-14.68,;6.39,-15.45,)|
[H][C@@]12CN(CCN1c1c(OCC2)cnc2cc(c(Cl)cc12)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wD:1.0,(31.76,-26.84,;30.67,-27.95,;30.2,-26.48,;28.69,-26.14,;27.65,-27.29,;28.11,-28.77,;29.63,-29.09,;29.87,-30.62,;31.2,-31.39,;32.64,-30.82,;33.09,-29.33,;32.21,-28.06,;31.21,-32.93,;29.88,-33.7,;28.54,-32.93,;27.21,-33.71,;25.87,-32.94,;25.88,-31.4,;24.54,-30.63,;27.2,-30.63,;28.54,-31.39,;24.54,-33.71,;24.55,-35.24,;25.88,-36.01,;23.22,-36.02,;21.88,-35.25,;21.88,-33.7,;20.74,-32.67,;21.36,-31.27,;22.9,-31.43,;23.21,-32.94,;28.23,-24.67,;26.72,-24.34,;29.26,-23.54,;28.8,-22.07,)|
[H][C@@]12CN(CCN1c1nc(NC3CCN(CC3)C3CC3)nc3cc(c(Cl)c(OC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wU:1.0,(40.79,-29.59,;40.02,-30.93,;41.54,-30.79,;42.42,-32.07,;41.76,-33.46,;40.23,-33.58,;39.36,-32.32,;37.93,-32.56,;37.99,-34.05,;36.64,-34.83,;36.64,-36.36,;37.97,-37.13,;37.96,-38.66,;39.28,-39.43,;40.61,-38.67,;40.62,-37.14,;39.29,-36.36,;41.94,-39.44,;42.7,-40.78,;43.48,-39.45,;35.31,-34.05,;35.31,-32.5,;33.97,-31.75,;33.97,-30.21,;35.3,-29.43,;35.3,-27.88,;36.63,-30.2,;37.84,-29.22,;39.34,-29.55,;36.65,-31.73,;32.62,-29.45,;32.62,-27.9,;33.94,-27.13,;31.27,-27.14,;29.94,-27.92,;29.95,-29.47,;28.8,-30.51,;29.44,-31.93,;30.98,-31.76,;31.3,-30.24,;43.96,-31.94,;44.62,-30.55,;44.84,-33.22,;46.38,-33.09,)|
[H][C@@]12CN(CCN1c1nc(NCCN(C)C)nc3cc(c(Cl)c(OC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wU:1.0,(17.88,-26.13,;17.11,-27.46,;18.63,-27.33,;19.51,-28.6,;18.85,-29.99,;17.32,-30.11,;16.45,-28.85,;15.03,-29.09,;15.08,-30.58,;13.74,-31.36,;13.73,-32.89,;15.06,-33.66,;15.06,-35.19,;16.39,-35.96,;16.38,-37.49,;17.71,-35.2,;12.4,-30.58,;12.41,-29.03,;11.08,-28.28,;11.07,-26.75,;12.4,-25.97,;12.4,-24.42,;13.73,-26.73,;14.93,-25.76,;16.43,-26.08,;13.74,-28.27,;9.72,-25.98,;9.72,-24.44,;11.05,-23.66,;8.38,-23.68,;7.04,-24.46,;7.06,-26.01,;5.91,-27.04,;6.54,-28.46,;8.08,-28.29,;8.4,-26.78,;21.05,-28.48,;21.71,-27.08,;21.93,-29.75,;23.46,-29.62,)|
[H][C@@]12CN(CCN1c1nc(nc3cc(c(Cl)c(OC2)c13)-c1c(C)ccc2[nH]ncc12)N1CC(C1)N(C)C)C(=O)C=C |r,wU:1.0,(17.72,-6.62,;16.94,-7.96,;18.47,-7.82,;19.34,-9.1,;18.68,-10.48,;17.15,-10.6,;16.29,-9.35,;14.86,-9.59,;14.92,-11.08,;13.57,-11.85,;12.24,-11.08,;12.24,-9.53,;10.91,-8.77,;10.9,-7.24,;12.23,-6.46,;12.23,-4.91,;13.56,-7.23,;14.76,-6.25,;16.27,-6.58,;13.58,-8.76,;9.56,-6.48,;9.55,-4.93,;10.88,-4.16,;8.21,-4.17,;6.87,-4.95,;6.89,-6.5,;5.74,-7.54,;6.37,-8.95,;7.91,-8.79,;8.23,-7.27,;13.57,-13.39,;12.48,-14.46,;13.56,-15.55,;14.65,-14.47,;13.56,-17.08,;12.23,-17.85,;14.89,-17.85,;20.88,-8.97,;21.55,-7.58,;21.76,-10.24,;23.3,-10.12,)|
[H][C@@]12CN(CCN1c1ncnc3c(F)c(c(Cl)c(OC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(15.59,-28.29,;14.81,-29.62,;16.34,-29.49,;17.21,-30.76,;16.55,-32.15,;15.02,-32.27,;14.16,-31.01,;12.73,-31.25,;12.79,-32.74,;11.44,-33.52,;10.11,-32.74,;10.11,-31.19,;8.78,-30.44,;7.45,-31.21,;8.77,-28.91,;10.1,-28.13,;10.1,-26.58,;11.43,-28.89,;12.63,-27.92,;14.14,-28.24,;11.45,-30.43,;7.43,-28.14,;6.1,-28.93,;6.12,-30.46,;4.76,-28.17,;4.74,-26.61,;6.08,-25.83,;7.42,-26.6,;8.76,-25.82,;18.75,-30.64,;19.42,-29.24,;19.63,-31.91,;21.17,-31.78,)|
[H][C@@]12CN(CCN1c1ncnc3cc(c(Cl)c(OC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wU:1.0,(15.23,-3.53,;14.46,-4.86,;15.98,-4.73,;16.85,-6,;16.19,-7.38,;14.67,-7.5,;13.8,-6.25,;12.38,-6.49,;12.43,-7.97,;11.09,-8.75,;9.76,-7.97,;9.76,-6.43,;8.43,-5.67,;8.42,-4.15,;9.75,-3.37,;9.75,-1.82,;11.08,-4.13,;12.28,-3.16,;13.78,-3.48,;11.1,-5.66,;7.08,-3.38,;7.08,-1.84,;8.41,-1.06,;5.74,-1.08,;4.4,-1.86,;4.42,-3.41,;3.28,-4.45,;3.92,-5.85,;5.46,-5.68,;5.76,-4.17,;18.39,-5.87,;19.05,-4.48,;19.27,-7.14,;20.8,-7.02,)|
[H][C@@]12CN(CCN1c1ncnc3cc(c(Cl)c(OC2)c13)-c1c(O)cccc1Cl)C(=O)C=C |r,wU:1.0,(38.94,-18.24,;38.16,-19.58,;39.69,-19.44,;40.56,-20.72,;39.9,-22.1,;38.37,-22.22,;37.5,-20.97,;36.08,-21.21,;36.13,-22.7,;34.79,-23.47,;33.46,-22.7,;33.46,-21.15,;32.13,-20.39,;32.12,-18.86,;33.45,-18.08,;33.45,-16.53,;34.78,-18.85,;35.98,-17.87,;37.49,-18.2,;34.79,-20.38,;30.77,-18.1,;29.45,-18.89,;29.47,-20.42,;28.11,-18.12,;28.09,-16.57,;29.43,-15.79,;30.77,-16.55,;32.1,-15.77,;42.1,-20.59,;42.77,-19.2,;42.98,-21.86,;44.52,-21.74,)|
[H][C@@]12CN(CCN1c1ncnc3cc(c(Cl)c(OC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(14.61,-17.21,;13.84,-18.55,;15.36,-18.41,;16.24,-19.69,;15.58,-21.07,;14.05,-21.19,;13.18,-19.94,;11.76,-20.18,;11.81,-21.67,;10.47,-22.44,;9.13,-21.67,;9.14,-20.12,;7.8,-19.36,;7.79,-17.83,;9.13,-17.05,;9.12,-15.5,;10.46,-17.82,;11.66,-16.84,;13.16,-17.17,;10.47,-19.35,;6.45,-17.07,;5.13,-17.85,;5.15,-19.39,;3.78,-17.09,;3.77,-15.54,;5.1,-14.76,;6.45,-15.52,;7.78,-14.74,;17.78,-19.56,;18.44,-18.17,;18.66,-20.83,;20.19,-20.71,)|
[H][C@@]12CN(CCN1c1ncnc3cc(c(Cl)c(OCC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wU:1.0,(.27,4.4,;1.04,3.07,;1.88,4.35,;3.42,4.26,;4.11,2.89,;3.27,1.6,;1.73,1.69,;1.3,.21,;2.65,-.54,;2.67,-2.08,;1.35,-2.87,;0,-2.12,;-1.32,-2.91,;-2.66,-2.17,;-2.69,-.63,;-4.03,.12,;-1.37,.17,;-1.94,1.5,;-1.83,3.02,;-.41,3.6,;-.02,-.58,;-3.98,-2.96,;-5.33,-2.21,;-5.36,-.67,;-6.65,-3,;-6.62,-4.54,;-5.28,-5.29,;-4.93,-6.79,;-3.4,-6.93,;-2.8,-5.51,;-3.96,-4.5,;4.27,5.55,;3.58,6.93,;5.8,5.46,;6.65,6.75,)|
[H][C@@]12CN([C@@H](C)CN1c1ncnc3c(F)c(c(Cl)c(OC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,4.4,(2.72,2.83,;2.65,1.09,;4,1.85,;5.32,1.07,;5.31,-.47,;6.64,-1.24,;3.97,-1.23,;2.64,-.45,;1.42,-1.39,;2.02,-2.78,;1.05,-3.98,;-.47,-3.73,;-.95,-2.3,;-2.49,-2.17,;-3.19,-3.18,;-3.14,-.78,;-2.26,.49,;-2.79,1.6,;-.73,.36,;-.05,1.74,;1.46,2.07,;-.07,-1.04,;-4.68,-.65,;-5.56,-1.91,;-5.04,-3.03,;-7.09,-1.78,;-7.75,-.38,;-6.86,.88,;-5.33,.75,;-4.62,1.76,;6.66,1.83,;7.72,1.2,;6.68,3.37,;7.75,3.98,)|
[H][C@@]12CN([C@H](C)CN1c1ncnc3c(F)c(c(Cl)c(OC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,wD:4.4,(2.72,2.83,;2.65,1.09,;4,1.85,;5.32,1.07,;5.31,-.47,;6.64,-1.24,;3.97,-1.23,;2.64,-.45,;1.42,-1.39,;2.02,-2.78,;1.05,-3.98,;-.47,-3.73,;-.95,-2.3,;-2.49,-2.17,;-3.19,-3.18,;-3.14,-.78,;-2.26,.49,;-2.79,1.6,;-.73,.36,;-.05,1.74,;1.46,2.07,;-.07,-1.04,;-4.68,-.65,;-5.56,-1.91,;-5.04,-3.03,;-7.09,-1.78,;-7.75,-.38,;-6.86,.88,;-5.33,.75,;-4.62,1.76,;6.66,1.83,;7.72,1.2,;6.68,3.37,;7.75,3.98,)|
[H][C@@]12CNc3cnc4cc(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(70.81,-47.87,;69.48,-48.66,;70.82,-49.41,;70.83,-50.95,;69.5,-51.73,;69.51,-53.28,;68.17,-54.06,;66.84,-53.29,;65.5,-54.07,;64.17,-53.3,;64.17,-51.75,;62.84,-50.98,;65.5,-50.98,;66.84,-51.75,;68.16,-50.97,;68.15,-49.43,;66.82,-48.67,;66.81,-47.13,;68.14,-46.35,;69.47,-47.12,;68.13,-44.81,;66.79,-44.05,;69.46,-44.04,;69.45,-42.5,;62.84,-54.07,;61.51,-53.29,;61.51,-51.75,;60.17,-54.06,;60.17,-55.6,;61.51,-56.37,;62.84,-55.6,;64.17,-56.37,)|
[H][C@@]12COc3cnc4c(C)c(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(30.95,-48.11,;29.62,-48.9,;30.96,-49.66,;30.97,-51.2,;29.64,-51.97,;29.65,-53.52,;28.31,-54.3,;26.98,-53.53,;25.64,-54.31,;25.65,-55.85,;24.31,-53.54,;24.31,-51.99,;22.98,-51.22,;25.64,-51.22,;26.97,-51.99,;28.3,-51.21,;28.29,-49.67,;26.95,-48.91,;26.95,-47.37,;28.28,-46.59,;29.61,-47.36,;28.27,-45.05,;26.93,-44.29,;29.6,-44.28,;29.59,-42.74,;22.98,-54.31,;21.65,-53.53,;21.65,-51.99,;20.31,-54.3,;20.31,-55.84,;21.65,-56.61,;22.98,-55.84,;24.31,-56.61,)|
[H][C@@]12COc3cnc4c(F)c(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(13.3,-47.65,;11.97,-48.43,;13.31,-49.19,;13.32,-50.73,;11.99,-51.51,;12,-53.06,;10.66,-53.83,;9.33,-53.06,;7.99,-53.84,;8,-55.38,;6.66,-53.07,;6.66,-51.53,;5.33,-50.76,;7.99,-50.76,;9.33,-51.52,;10.65,-50.75,;10.64,-49.21,;9.31,-48.44,;9.3,-46.9,;10.63,-46.13,;11.97,-46.89,;10.62,-44.59,;9.28,-43.82,;11.95,-43.81,;11.94,-42.27,;5.33,-53.84,;4,-53.07,;4,-51.53,;2.66,-53.83,;2.66,-55.38,;4,-56.15,;5.33,-55.37,;6.67,-56.14,)|
[H][C@@]12COc3cnc4c(OC)c(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(51.05,-48.22,;49.73,-49.01,;51.06,-49.76,;51.07,-51.3,;49.74,-52.08,;49.75,-53.63,;48.42,-54.41,;47.08,-53.64,;45.75,-54.42,;45.75,-55.96,;47.09,-56.72,;44.41,-53.65,;44.42,-52.1,;43.08,-51.33,;45.74,-51.33,;47.08,-52.1,;48.41,-51.32,;48.4,-49.78,;47.06,-49.02,;47.05,-47.48,;48.38,-46.7,;49.72,-47.47,;48.37,-45.16,;47.04,-44.4,;49.7,-44.39,;49.69,-42.85,;43.08,-54.42,;41.75,-53.64,;41.75,-52.1,;40.42,-54.41,;40.41,-55.95,;41.76,-56.72,;43.08,-55.95,;44.42,-56.72,)|
[H][C@@]12COc3cnc4cc(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(C)ccc2[nH]ncc12 |r,wU:1.0,(71.97,-6.9,;70.65,-7.68,;71.98,-8.44,;71.99,-9.98,;70.66,-10.76,;70.67,-12.31,;69.34,-13.08,;68,-12.32,;66.67,-13.09,;65.33,-12.32,;65.34,-10.78,;64,-10.01,;66.67,-10.01,;68,-10.77,;69.33,-10,;69.32,-8.46,;67.98,-7.7,;67.97,-6.16,;69.3,-5.38,;70.64,-6.14,;69.29,-3.84,;67.96,-3.08,;70.62,-3.06,;70.62,-1.52,;64,-13.09,;64.01,-14.63,;65.34,-15.39,;62.68,-15.4,;61.33,-14.63,;61.34,-13.09,;60.19,-12.05,;60.82,-10.65,;62.35,-10.81,;62.67,-12.32,)|
[H][C@@]12COc3cnc4cc(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,(71.28,-28.06,;69.95,-28.85,;71.29,-29.61,;71.3,-31.15,;69.97,-31.92,;69.98,-33.47,;68.64,-34.25,;67.31,-33.48,;65.97,-34.26,;64.64,-33.49,;64.64,-31.94,;63.31,-31.17,;65.97,-31.17,;67.3,-31.94,;68.63,-31.16,;68.62,-29.62,;67.28,-28.86,;67.28,-27.32,;68.61,-26.54,;69.94,-27.31,;68.6,-25,;67.26,-24.24,;69.93,-24.23,;69.92,-22.69,;63.31,-34.26,;61.97,-33.48,;61.98,-31.94,;60.64,-34.25,;60.64,-35.79,;61.98,-36.56,;63.31,-35.79,;64.64,-36.56,)|
[H][C@@]12COc3cnc4cc(c(Cl)cc4c3N1C[C@@H](C)N(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,17.20,(70.37,-6.5,;69.05,-7.29,;70.38,-8.05,;70.39,-9.59,;69.06,-10.36,;69.07,-11.91,;67.74,-12.69,;66.4,-11.92,;65.07,-12.7,;63.73,-11.93,;63.73,-10.38,;62.4,-9.61,;65.06,-9.61,;66.4,-10.38,;67.72,-9.6,;67.72,-8.06,;66.38,-7.3,;66.37,-5.76,;65.03,-5,;67.7,-4.98,;69.04,-5.75,;67.69,-3.44,;66.35,-2.68,;69.02,-2.67,;69.01,-1.13,;62.4,-12.7,;61.07,-11.92,;61.07,-10.38,;59.73,-12.69,;59.73,-14.23,;61.08,-15,;62.4,-14.23,;63.74,-15,)|
[H][C@@]12COc3cnc4cc(c(Cl)cc4c3N1C[C@H](C)N(C2)C(=O)C=C)-c1c(O)cccc1F |r,wU:1.0,wD:17.20,(12.87,-26.71,;11.55,-27.49,;12.88,-28.25,;12.89,-29.79,;11.56,-30.57,;11.57,-32.12,;10.24,-32.89,;8.9,-32.13,;7.57,-32.9,;6.23,-32.13,;6.23,-30.59,;4.9,-29.82,;7.56,-29.82,;8.9,-30.58,;10.23,-29.81,;10.22,-28.27,;8.88,-27.51,;8.87,-25.97,;7.53,-25.2,;10.2,-25.19,;11.54,-25.95,;10.19,-23.65,;8.85,-22.89,;11.52,-22.87,;11.51,-21.33,;4.9,-32.9,;3.57,-32.13,;3.57,-30.59,;2.24,-32.9,;2.23,-34.44,;3.58,-35.21,;4.9,-34.44,;6.24,-35.2,)|
[H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O |r|
[H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cc(O)cc3cccc(C#C)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cc(O)cc3cccc(Cl)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3ccc(F)c(C#C)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3ccc(F)c(F)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3ccc(F)cc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(C#C)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(C)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(CC)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(CO)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(Cl)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(F)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3cccc(OC)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCC34CCCN3CCC4)nc3c(F)c(ncc13)-c1cccc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCCN(C)C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCCN3C[C@]4([H])C[C@@]3([H])CO4)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OCCc3nccn3C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@H]3CCCN3C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccc(F)c(C#C)c13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@]34CCCN3C[C@@H](F)C4)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
[H][C@]12CN(CCN1c1c(NC2=O)cnc2cc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(31.71,-6.52,;30.38,-7.3,;30.38,-5.76,;29.04,-5,;27.71,-5.78,;27.72,-7.32,;29.05,-8.08,;29.06,-9.62,;30.4,-10.38,;31.73,-9.6,;31.72,-8.06,;33.05,-7.28,;30.41,-11.93,;29.07,-12.7,;27.74,-11.94,;26.4,-12.71,;25.07,-11.94,;25.07,-10.4,;23.74,-9.63,;26.4,-9.63,;27.74,-10.39,;23.74,-12.71,;22.41,-11.94,;22.41,-10.4,;21.07,-12.71,;21.07,-14.25,;22.41,-15.02,;23.74,-14.25,;25.08,-15.01,;29.03,-3.46,;27.69,-2.7,;30.36,-2.68,;30.35,-1.14,)|
[H][C@]12CN(CCN1c1c(OCC2)cnc2cc(c(Cl)cc12)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wU:1.0,(51.2,-26.9,;50.11,-28,;49.65,-26.54,;48.14,-26.2,;47.09,-27.35,;47.56,-28.83,;49.07,-29.15,;49.31,-30.68,;50.64,-31.45,;52.09,-30.88,;52.54,-29.39,;51.65,-28.12,;50.65,-32.99,;49.32,-33.76,;47.99,-32.99,;46.65,-33.77,;45.32,-33,;45.32,-31.46,;43.99,-30.69,;46.65,-30.69,;47.98,-31.45,;43.99,-33.77,;43.99,-35.3,;45.33,-36.07,;42.66,-36.07,;41.32,-35.3,;41.32,-33.76,;40.18,-32.73,;40.81,-31.33,;42.34,-31.49,;42.66,-33,;47.67,-24.73,;46.17,-24.4,;48.71,-23.6,;48.24,-22.13,)|
[H][C@]12CN(CCN1c1c(cnc3c(F)c(c(Cl)cc13)-c1c(O)cccc1F)N(C)C2=O)C(=O)C=C |r,wU:1.0,(30.86,-26.9,;29.54,-27.68,;29.53,-26.14,;28.19,-25.38,;26.86,-26.15,;26.87,-27.69,;28.21,-28.46,;28.22,-30,;29.55,-30.76,;29.56,-32.31,;28.23,-33.08,;26.89,-32.31,;25.56,-33.09,;25.56,-34.63,;24.22,-32.32,;24.22,-30.78,;22.89,-30.01,;25.55,-30.01,;26.89,-30.77,;22.89,-33.09,;21.56,-32.32,;21.56,-30.78,;20.22,-33.08,;20.22,-34.62,;21.57,-35.4,;22.89,-34.62,;24.23,-35.39,;30.88,-29.98,;32.22,-30.74,;30.87,-28.44,;32.2,-27.66,;28.18,-23.84,;26.84,-23.07,;29.51,-23.06,;29.5,-21.52,)|
[H][C@]12CN(CCN1c1c(cnc3cc(c(Cl)cc13)-c1c(O)cccc1F)N(C)C2=O)C(=O)C=C |r,wU:1.0,(50.13,-6.75,;48.8,-7.54,;48.79,-6,;47.46,-5.23,;46.13,-6.01,;46.13,-7.55,;47.47,-8.31,;47.48,-9.85,;48.82,-10.61,;48.83,-12.16,;47.49,-12.94,;46.16,-12.17,;44.82,-12.95,;43.49,-12.18,;43.49,-10.63,;42.16,-9.86,;44.82,-9.86,;46.15,-10.63,;42.16,-12.95,;40.83,-12.17,;40.83,-10.63,;39.49,-12.94,;39.49,-14.48,;40.83,-15.25,;42.16,-14.48,;43.49,-15.25,;50.15,-9.83,;51.48,-10.6,;50.14,-8.29,;51.47,-7.52,;47.45,-3.69,;46.11,-2.93,;48.78,-2.92,;48.77,-1.38,)|
[H][C@]12CN(CCN1c1ncnc3c(F)c(c(Cl)c(OCC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wD:1.0,(2.77,3.02,;2.46,1.44,;3.89,1.99,;5.09,1.02,;4.85,-.5,;3.42,-1.05,;2.22,-.09,;1.01,-1.04,;1.67,-2.43,;.79,-3.65,;-.74,-3.57,;-1.4,-2.18,;-2.94,-2.1,;-3.81,-3.32,;-3.6,-.67,;-2.72,.6,;-3.38,1.99,;-1.19,.52,;-1.24,2.3,;.1,3.07,;1.6,2.71,;-.53,-.96,;-5.14,-.59,;-6.01,-1.81,;-5.35,-3.2,;-7.55,-1.73,;-8.2,-.29,;-7.33,.93,;-5.79,.85,;-4.92,2.12,;6.53,1.58,;7.73,.61,;6.77,3.1,;8.2,3.65,)|
[H][C@]12CN(CCN1c1ncnc3cc(c(Cl)c(OC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wD:1.0,(.69,4.05,;1.46,2.71,;2.18,4.1,;3.71,4.1,;4.53,2.82,;3.76,1.49,;2.23,1.43,;1.72,-.05,;2.95,-.87,;2.79,-2.41,;1.36,-3.02,;.18,-2.05,;-1.15,-2.77,;-2.48,-1.95,;-2.38,-.41,;-3.41,.26,;-1.05,.31,;-1.2,1.84,;-.08,2.92,;.28,-.51,;-3.82,-2.61,;-5.1,-1.79,;-5.05,-.56,;-6.48,-2.51,;-6.58,-4.05,;-5.25,-4.87,;-5.05,-6.4,;-3.51,-6.61,;-2.79,-5.28,;-3.92,-4.15,;4.43,5.48,;3.82,6.51,;5.97,5.53,;6.58,6.61,)|
[H][C@]12CN(CCN1c1ncnc3cc(c(Cl)c(OCC2)c13)-c1c(C)ccc2[nH]ncc12)C(=O)C=C |r,wD:1.0,(.27,4.4,;1.04,3.07,;1.88,4.35,;3.42,4.26,;4.11,2.89,;3.27,1.6,;1.73,1.69,;1.3,.21,;2.65,-.54,;2.67,-2.08,;1.35,-2.87,;0,-2.12,;-1.32,-2.91,;-2.66,-2.17,;-2.69,-.63,;-4.03,.12,;-1.37,.17,;-1.94,1.5,;-1.83,3.02,;-.41,3.6,;-.02,-.58,;-3.98,-2.96,;-5.33,-2.21,;-5.36,-.67,;-6.65,-3,;-6.62,-4.54,;-5.28,-5.29,;-4.93,-6.79,;-3.4,-6.93,;-2.8,-5.51,;-3.96,-4.5,;4.27,5.55,;3.58,6.93,;5.8,5.46,;6.65,6.75,)|
[H][C@]12CN([C@@H](C)CN1c1ncnc3c(F)c(c(Cl)c(OCC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wU:4.4,wD:1.0,(2.77,3.02,;2.46,1.44,;3.89,1.99,;5.09,1.02,;4.85,-.5,;5.94,-1.59,;3.42,-1.05,;2.22,-.09,;1.01,-1.04,;1.67,-2.43,;.79,-3.65,;-.74,-3.57,;-1.4,-2.18,;-2.94,-2.1,;-3.81,-3.32,;-3.6,-.67,;-2.72,.6,;-3.38,1.99,;-1.19,.52,;-1.24,2.3,;.1,3.07,;1.6,2.71,;-.53,-.96,;-5.14,-.59,;-6.01,-1.81,;-5.35,-3.2,;-7.55,-1.73,;-8.2,-.29,;-7.33,.93,;-5.79,.85,;-4.92,2.12,;6.53,1.58,;7.73,.61,;6.77,3.1,;8.2,3.65,)|
[H][C@]12CN([C@H](C)CN1c1c(cnc3c(F)c(c(Cl)cc13)-c1c(O)cccc1F)N(C)C2=O)C(=O)C=C |r,wU:1.0,4.4,(50.79,-26.84,;49.46,-27.62,;49.45,-26.08,;48.12,-25.32,;46.79,-26.1,;45.45,-25.34,;46.8,-27.64,;48.13,-28.4,;48.14,-29.94,;49.48,-30.7,;49.49,-32.25,;48.15,-33.03,;46.82,-32.26,;45.48,-33.04,;45.49,-34.58,;44.15,-32.27,;44.15,-30.72,;42.82,-29.95,;45.48,-29.95,;46.81,-30.71,;42.82,-33.04,;41.49,-32.26,;41.49,-30.72,;40.15,-33.03,;40.15,-34.57,;41.49,-35.34,;42.82,-34.57,;44.15,-35.34,;50.81,-29.92,;52.14,-30.69,;50.8,-28.38,;52.13,-27.61,;48.11,-23.78,;46.77,-23.02,;49.44,-23,;49.43,-21.46,)|
[H][C@]12CN([C@H](C)CN1c1ncnc3c(F)c(c(Cl)c(OCC2)c13)-c1c(O)cccc1F)C(=O)C=C |r,wD:4.4,1.0,(2.77,3.02,;2.46,1.44,;3.89,1.99,;5.09,1.02,;4.85,-.5,;6.05,-1.47,;3.42,-1.05,;2.22,-.09,;1.01,-1.04,;1.67,-2.43,;.79,-3.65,;-.74,-3.57,;-1.4,-2.18,;-2.94,-2.1,;-3.81,-3.32,;-3.6,-.67,;-2.72,.6,;-3.38,1.99,;-1.19,.52,;-1.24,2.3,;.1,3.07,;1.6,2.71,;-.53,-.96,;-5.14,-.59,;-6.01,-1.81,;-5.35,-3.2,;-7.55,-1.73,;-8.2,-.29,;-7.33,.93,;-5.79,.85,;-4.92,2.12,;6.53,1.58,;7.73,.61,;6.77,3.1,;8.2,3.65,)|
[H][C@]12COc3cnc4cc(c(Cl)cc4c3N1CCN(C2)C(=O)C=C)-c1c(C)ccc2[nH]ncc12 |r,wD:1.0,(33.86,-6.64,;32.53,-7.43,;33.87,-8.19,;33.87,-9.73,;32.55,-10.5,;32.56,-12.05,;31.22,-12.83,;29.89,-12.06,;28.55,-12.84,;27.22,-12.07,;27.22,-10.52,;25.89,-9.75,;28.55,-9.75,;29.88,-10.52,;31.21,-9.74,;31.2,-8.2,;29.86,-7.44,;29.86,-5.9,;31.19,-5.12,;32.52,-5.89,;31.18,-3.58,;29.84,-2.82,;32.51,-2.81,;32.5,-1.27,;25.89,-12.84,;25.89,-14.37,;27.22,-15.14,;24.56,-15.14,;23.22,-14.37,;23.22,-12.83,;22.08,-11.8,;22.71,-10.39,;24.24,-10.56,;24.55,-12.06,)|
c1nc2ccccc2[nH]1