772 SMILES Strings for Phospholipase D2

Compound Name
SMILES String
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cccc(F)c2)CC1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3C(=O)OC(=O)c3c2)CC1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
CN(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)c1ccc2ccccc2c1
CN(CCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C(=O)c1ccc2ccccc2c1
Ic1ccc2n(C3CCN(CCNC(=O)C4CC4c4ccccc4)CC3)c(=O)[nH]c2c1
Clc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(I)cc2[nH]c1=O
C[C@@H](CN1CCC(CC1)n1c2ccc(I)cc2[nH]c1=O)NC(=O)C1CC1c1ccccc1
C[C@@H](CN1CCC(CC1)n1c2ccc(I)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2ccc(I)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1ccc2ccccc2c1
Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Cl)cc2)CC1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1
Clc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Clc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Cl)cc2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1
O=C(NCCc1ccccn1)C1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
O=C(NCC1CC1)C1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Clc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Clc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(Cl)c1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(Cl)c1
Brc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
CC(C)[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1
CC(C)[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2ccccc2[nH]1
CC(C)[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cnc2ccccc2c1
CC(C)[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
Cn1c2ccccc2n(C2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)c1=O
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cnc2ccccc2c1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2cc(F)ccc2[nH]1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2ccccc2[nH]1
Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1
CN1CN(c2ccccc2)C2(CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)C1=O
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
Brc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Brc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Br)cc1
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Br)cc1
CC(C)[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
Fc1cccc(n1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cscn1
Fc1cccc(n1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1cnc(C(=O)NCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)c(F)c1
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc(Br)c(Br)o1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)nc2)CC1
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)cc1
C[C@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
C[C@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1cc2ccccc2[nH]1
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
COc1cc(ccc1N)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C#Cc1ccccc1
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C1CCc2ccccc2C1
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cc2ccccc2s1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc2ncccc2c1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1cc2ccccc2s1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)CCc1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1cc2ccccc2[nH]1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1cc2cc(F)ccc2[nH]1
O=C(NCCN1CCC2(CCN(C2=O)c2ccccc2)CC1)c1cnc2ccccc2c1
O=C(NCCN1CCC2(CC1)C(=O)Oc1ccccc21)c1cnc2ccccc2c1
O=C(N[C@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Cc1ccccc1)c1cnc2ccccc2c1
O=C(N1CCCC1CN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)C1C[C@H]1c1ccccc1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc(Cl)c(Cl)c1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)COc1ccccc1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccco1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1cccnc1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc(cc1)C(F)(F)F
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(C)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(C)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(C)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(F)cc1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(C)cc1
Clc1ccc2n(C3CCN(CCNC(=O)C4C[C@H]4c4ccccc4)CC3)c(=O)[nH]c2c1 |r|
c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F
Cc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cnc2ccccc2c1
Fc1cccc(CNC(=O)NCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Fc1cccc(NC(=O)NCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(F)c(F)c4)CC3)c2c1
Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c2c1
Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O
Clc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCN(CC1)c1ccncc1
COc1cccc(c1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4cccc5-c6ccccc6C(=O)c45)CC3)c2c1
Fc1ccc2n(C3CCN(CCNC(=O)c4ccc(Cl)cc4)CC3)c(=O)[nH]c2c1
Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
Fc1ccc2n(C3CCN(CCNC(=O)c4ccc5ccccc5c4)CC3)c(=O)[nH]c2c1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cccc(C)c1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)c(F)c1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1Cc2ccccc2C=C1 |c:33|
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2c2ccccc12
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C#Cc1ccccc1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ncccc2c1
Fc1ccc2cc(ccc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
Clc1ccc(cc1)C(=O)N(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1
C[C@@H](CN1CCC(=CC1)n1c2ccccc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |c:6|
C[C@@H](CN1CCC(=CC1)n1c2ccccc2[nH]c1=O)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |c:6|
O=C(NCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O)C1CC1c1ccccc1 |c:8|
O=C(NCCN1CCC(CC1)n1nnc2ccccc12)c1ccc2ccccc2c1
C[C@H](CN1CCC(CC1)n1nnc2ccccc12)NC(=O)c1ccc2ccccc2c1
O=C(NCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O)C1CC=c2ccccc2=C1 |c:8,33,t:26|
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r|
Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
COc1ccc(cc1)-n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
COc1ccc(cc1)-n1nc(-c2ccccc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12
Cc1nn(c2ncnc(N)c12)C(C)(C)C
CCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CCc1ccccc1-n1nc(-c2ccccc2)c2c(N)ncnc12
CCc1ccccc1-n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Nc1ncnc2n(nc(-c3cccc4ccccc34)c12)-c1ccccc1
Nc1ncnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Cc1nn(-c2ccccc2)c2ncnc(N)c12
Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Cn1nc(-c2ccccc2)c2c(N)ncnc12
Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Cc1nn(C)c2ncnc(N)c12
Cc1[nH]nc2ncnc(N)c12
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br
O=C(NCCN1CCC2(CC1)N(Cc1cccnc1)CNC2=O)c1ccc2ccccc2c1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(O)cc1
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
CN(C)CCOc1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCC2=O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCOCC2)cc1
Oc1ccc(cc1)-c1c(sc2ccccc12)-c1cccc(O)c1
COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(O)cc1
COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.31,-1.13,;.31,.41,;-1.02,1.18,;-2.37,.44,;-2.37,-1.1,;-3.71,-1.87,;-5.04,-1.1,;-5.04,.44,;-3.71,1.21,;-6.37,-.33,;-7.71,-1.1,;-9.06,-.36,;-7.71,-2.64,;-6.37,-3.41,;-5.04,-2.64,;-3.7,-3.4,;-2.37,-2.63,;-1.03,-3.4,;-1.03,-4.94,;.32,-5.67,;-2.37,-5.71,;-3.7,-4.94,;1.65,1.18,;2.98,.41,;2.98,-1.13,;4.32,1.18,;4.48,2.71,;5.98,3.03,;6.75,4.36,;8.29,4.36,;9.04,5.71,;9.06,3.03,;8.29,1.69,;6.75,1.69,;5.72,.55,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.46,-.47,;1.46,1.07,;.12,1.84,;-1.23,1.11,;-1.23,-.43,;-2.57,-1.2,;-3.9,-.43,;-3.9,1.11,;-2.57,1.88,;-5.23,.34,;-6.57,-.43,;-7.94,.25,;-6.57,-1.97,;-5.23,-2.74,;-3.9,-1.97,;-2.53,-2.68,;-1.2,-1.91,;.13,-2.68,;.13,-4.22,;1.47,-4.99,;-1.2,-4.99,;-2.53,-4.22,;2.79,1.84,;4.12,1.07,;4.12,-.47,;5.46,1.84,;5.62,3.37,;7.12,3.69,;7.94,4.99,;7.89,2.36,;6.86,1.21,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1 |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;,-1.93,;-1.33,-1.15,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-3.71,-4.29,;-2.37,-5.06,;-1.04,-4.29,;.29,-5.06,;-1.04,-2.75,;-2.37,-1.98,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1)S(C)(=O)=O)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-3.71,-4.29,;-2.37,-5.06,;-1.04,-4.29,;-1.04,-2.75,;-2.37,-1.98,;.29,-5.06,;1.63,-4.29,;-.48,-6.39,;1.06,-6.39,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,6.39,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1)S(C)(=O)=O)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-2.52,-3.7,;-1.18,-4.47,;.15,-3.7,;.15,-2.16,;-1.18,-1.39,;1.48,-4.47,;2.82,-3.7,;.71,-5.81,;2.25,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1)S(C)(=O)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-2.67,-2.8,;-1.33,-3.57,;,-2.8,;,-1.26,;-1.33,-.49,;1.33,-3.57,;2.67,-2.8,;.56,-4.9,;2.1,-4.9,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(C)=O |r,wU:6.9,3.2,1.0,c:14,(2.67,1.15,;2.67,2.69,;1.33,3.47,;,2.69,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.47,;-4,1.93,;-5.33,1.15,;-6.67,1.93,;-5.33,-.38,;-4,-1.15,;-2.67,-.38,;-1.33,-1.15,;,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.47,;,-3.47,;-1.33,-2.69,;-2.67,-3.46,;4,3.47,;5.33,2.69,;6.67,3.47,;5.33,1.15,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;1.48,-5.14,;-1.18,-5.14,;-2.52,-4.37,;-3.85,-5.14,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.29,-1.1,;.29,.44,;-1.04,1.21,;-2.37,.44,;-2.37,-1.1,;-3.71,-1.87,;-5.04,-1.1,;-5.04,.44,;-3.71,1.21,;-6.37,-.33,;-7.71,-1.1,;-9.04,-.33,;-7.71,-2.64,;-6.37,-3.41,;-5.04,-2.64,;-3.71,-3.41,;-2.37,-2.64,;-1.04,-3.41,;-1.04,-4.95,;.29,-5.72,;-2.37,-5.72,;-3.71,-4.95,;-5.04,-5.72,;1.63,1.21,;2.96,.44,;2.96,-1.1,;4.29,1.21,;4.46,2.74,;5.96,3.06,;6.73,4.39,;8.27,4.39,;9.04,5.72,;9.04,3.06,;8.27,1.72,;6.73,1.72,;5.7,.58,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.29,-1.1,;.29,.44,;-1.04,1.21,;-2.37,.44,;-2.37,-1.1,;-3.71,-1.87,;-5.04,-1.1,;-5.04,.44,;-3.71,1.21,;-6.37,-.33,;-7.71,-1.1,;-9.04,-.33,;-7.71,-2.64,;-6.37,-3.41,;-5.04,-2.64,;-3.71,-3.41,;-2.37,-2.64,;-1.04,-3.41,;-1.04,-4.95,;-2.37,-5.72,;-3.71,-4.95,;1.63,1.21,;2.96,.44,;2.96,-1.1,;4.29,1.21,;4.46,2.74,;5.96,3.06,;6.73,4.39,;8.27,4.39,;9.04,5.72,;9.04,3.06,;8.27,1.72,;6.73,1.72,;5.7,.58,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;-1.18,-5.14,;-2.52,-4.37,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1 |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1CCC(=O)N1 |r,wU:6.9,3.2,1.0,c:14,(.71,.15,;.71,1.69,;-.62,2.46,;-1.95,1.69,;-1.95,.15,;-3.29,-.62,;-4.62,.15,;-4.62,1.69,;-3.29,2.46,;-5.96,.92,;-7.29,.15,;-8.62,.92,;-7.29,-1.39,;-5.96,-2.16,;-4.62,-1.39,;-3.29,-2.16,;-1.95,-1.39,;-.62,-2.16,;-.62,-3.7,;.71,-4.47,;-1.95,-4.47,;-3.29,-3.7,;-4.62,-4.47,;2.05,2.46,;3.38,1.69,;3.38,.15,;4.71,2.46,;4.71,4,;6.18,4.47,;7.08,3.23,;8.62,3.23,;6.18,1.98,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;.29,-5.06,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(C)C |r,wU:6.9,3.2,1.0,c:14,(2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-6,-1.15,;-4.67,-1.93,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;6,4.23,;7.34,1.93,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1CC1 |r,wU:6.9,3.2,1.0,c:14,(1.9,.49,;1.9,2.03,;.56,2.8,;-.77,2.03,;-.77,.49,;-2.1,-.28,;-3.44,.49,;-3.44,2.03,;-2.1,2.8,;-4.77,1.26,;-6.1,.49,;-7.44,1.26,;-6.1,-1.05,;-4.77,-1.82,;-3.44,-1.05,;-2.1,-1.82,;-.77,-1.05,;.56,-1.82,;.56,-3.36,;1.9,-4.13,;-.77,-4.13,;-2.1,-3.36,;-3.44,-4.13,;3.23,2.8,;4.56,2.03,;4.56,.49,;5.9,2.8,;7.44,2.8,;6.67,4.13,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-2.52,-4.37,;-1.18,-5.14,;.15,-4.37,;1.48,-5.14,;.15,-2.83,;-1.18,-2.06,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1 |r,wU:13.16,10.9,7.7,c:21,(8,2.7,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-2.67,-3.47,;-1.33,-4.23,;,-3.47,;1.33,-4.23,;,-1.93,;-1.33,-1.15,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(Br)c1 |r,wU:13.16,10.9,7.7,c:21,(8,3.47,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-1.33,-5,;-2.67,-2.7,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(Br)c1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.25,;1.48,1.79,;.15,2.56,;-1.18,1.79,;-1.18,.25,;-2.52,-.52,;-3.85,.25,;-3.85,1.79,;-2.52,2.56,;-5.19,1.02,;-6.52,.25,;-7.85,1.02,;-6.52,-1.29,;-5.19,-2.06,;-3.85,-1.29,;-2.52,-2.06,;-1.18,-1.29,;.15,-2.06,;.15,-3.6,;-1.18,-4.37,;-1.18,-5.91,;-2.52,-3.6,;2.82,2.56,;4.15,1.79,;4.15,.25,;5.48,2.56,;5.48,4.1,;6.95,4.58,;7.72,5.91,;7.85,3.33,;6.95,2.08,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1Br |r,wU:13.16,10.9,7.7,c:21,(8,2.7,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;-1.18,-5.14,;-2.52,-4.37,;-3.85,-5.14,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)[C@@H](C)O |r,wU:6.9,3.2,1.0,wD:26.30,c:14,(2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-6,-1.15,;-4.67,-1.93,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;7.34,1.93,;6,4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)[C@H](C)O |r,wU:6.9,3.2,1.0,26.30,c:14,(2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-6,-1.15,;-4.67,-1.93,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;7.34,1.93,;6,4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(C)=O |r,wU:6.9,3.2,1.0,c:14,(2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-6,-1.15,;-4.67,-1.93,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;7.34,1.93,;6,4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(C)(=O)=O)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;1.48,-4.47,;2.82,-3.7,;.71,-5.81,;2.25,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(C)(=O)=O)NC(=O)c1cc2cc(F)ccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;.29,-5.06,;1.63,-4.29,;-.48,-6.39,;1.06,-6.39,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,6.39,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(C)(=O)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;2.67,-2.8,;.56,-4.9,;2.1,-4.9,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)OC(C)(C)C |r,wU:6.9,3.2,1.0,c:14,(1.33,1.15,;1.33,2.69,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.46,;2.67,3.47,;4,2.69,;4,1.15,;5.33,3.47,;6.67,2.69,;8,3.47,;6.67,1.15,;8,1.93,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1(F)CC1 |r,wU:6.9,3.2,1.0,c:14,(1.9,.38,;1.9,1.93,;.56,2.69,;-.77,1.93,;-.77,.38,;-2.1,-.38,;-3.44,.38,;-3.44,1.93,;-2.1,2.69,;-4.77,1.15,;-6.1,.38,;-7.44,1.15,;-6.1,-1.15,;-4.77,-1.93,;-3.44,-1.15,;-2.1,-1.93,;-.77,-1.15,;.56,-1.93,;.56,-3.47,;1.9,-4.23,;-.77,-4.23,;-2.1,-3.47,;-3.44,-4.23,;3.23,2.69,;4.56,1.93,;4.56,.38,;5.9,2.69,;5.9,4.23,;6.67,1.36,;7.44,2.69,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1(O)CC1 |r,wU:6.9,3.2,1.0,c:14,(1.9,.38,;1.9,1.93,;.56,2.69,;-.77,1.93,;-.77,.38,;-2.1,-.38,;-3.44,.38,;-3.44,1.93,;-2.1,2.69,;-4.77,1.15,;-6.1,.38,;-7.44,1.15,;-6.1,-1.15,;-4.77,-1.93,;-3.44,-1.15,;-2.1,-1.93,;-.77,-1.15,;.56,-1.93,;.56,-3.47,;1.9,-4.23,;-.77,-4.23,;-2.1,-3.47,;-3.44,-4.23,;3.23,2.69,;4.56,1.93,;4.56,.38,;5.9,2.69,;5.9,4.23,;6.67,1.36,;7.44,2.69,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;1.48,-5.14,;-1.18,-5.14,;-2.52,-4.37,;-3.85,-5.14,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1CC1c1ccccc1 |r,wU:6.9,3.2,1.0,c:14,(-.1,.49,;-.1,2.03,;-1.44,2.8,;-2.77,2.03,;-2.77,.49,;-4.1,-.28,;-5.44,.49,;-5.44,2.03,;-4.1,2.8,;-6.77,1.26,;-8.11,.49,;-9.44,1.26,;-8.11,-1.05,;-6.77,-1.82,;-5.44,-1.05,;-4.1,-1.82,;-2.77,-1.05,;-1.44,-1.82,;-1.44,-3.36,;-.1,-4.13,;-2.77,-4.13,;-4.1,-3.36,;-5.44,-4.13,;1.23,2.8,;2.56,2.03,;2.56,.49,;3.9,2.8,;4.67,4.13,;5.44,2.8,;6.77,2.03,;6.77,.49,;8.11,-.28,;9.44,.49,;9.44,2.03,;8.11,2.8,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1ccccc1 |r,wU:6.9,3.2,1.0,c:14,(1.33,,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;-2.67,-.77,;-4,,;-4,1.54,;-2.67,2.31,;-5.33,.77,;-6.67,,;-8,.77,;-6.67,-1.54,;-5.33,-2.31,;-4,-1.54,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;,-3.85,;1.33,-4.62,;-1.33,-4.62,;-2.67,-3.85,;-4,-4.62,;2.67,2.31,;4,1.54,;4,,;5.33,2.31,;6.67,1.54,;8,2.31,;8,3.85,;6.67,4.62,;5.33,3.85,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)CC#N |r,wU:6.9,3.2,1.0,c:14,(1.33,1.15,;1.33,2.69,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.46,;2.67,3.47,;4,2.69,;4,1.15,;5.33,3.47,;6.67,2.69,;8,1.93,)|
CCCC(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:12.15,9.8,6.6,c:20,(8,3.47,;6.67,2.69,;5.33,3.47,;4,2.69,;4,1.15,;2.67,3.47,;1.33,2.69,;1.33,1.15,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.46,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)CCS(C)(=O)=O |r,wU:6.9,3.2,1.0,c:14,(.67,.49,;.67,2.03,;-.67,2.8,;-2,2.03,;-2,.49,;-3.33,-.28,;-4.67,.49,;-4.67,2.03,;-3.33,2.8,;-6,1.26,;-7.34,.49,;-8.67,1.26,;-7.34,-1.05,;-6,-1.82,;-4.67,-1.05,;-3.33,-1.82,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-4.67,-4.13,;2,2.8,;3.33,2.03,;3.33,.49,;4.67,2.8,;6,2.03,;7.34,2.8,;8.67,2.03,;8.11,4.13,;6.57,4.13,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;1.48,-5.14,;-1.18,-5.14,;-2.52,-4.37,;-3.85,-5.14,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;.29,-5.06,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CNC(=O)C(=O)NCC[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:12.15,9.8,c:20,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(C)(=O)=O)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;1.48,-4.47,;2.82,-3.7,;.71,-5.81,;2.25,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(C)(=O)=O)NC(=O)c1ccccc1 |r,wU:6.9,3.2,1.0,c:14,(1.33,.67,;1.33,2.21,;,2.98,;-1.33,2.21,;-1.33,.67,;-2.67,-.1,;-4,.67,;-4,2.21,;-2.67,2.98,;-5.33,1.44,;-6.67,.67,;-8,1.44,;-6.67,-.87,;-5.33,-1.64,;-4,-.87,;-2.67,-1.64,;-1.33,-.87,;,-1.64,;,-3.18,;-1.33,-3.95,;-2.67,-3.18,;-4,-3.95,;1.33,-3.95,;2.67,-3.18,;.56,-5.29,;2.1,-5.29,;2.67,2.98,;4,2.21,;4,.67,;5.33,2.98,;6.67,2.21,;8,2.98,;8,4.52,;6.67,5.29,;5.33,4.52,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-3.71,-4.29,;-2.37,-5.06,;-1.04,-4.29,;.29,-5.06,;-1.04,-2.75,;-2.37,-1.98,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CBC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;2.67,-2.8,;.56,-4.9,;2.1,-4.9,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;1.48,-4.47,;2.82,-3.7,;.71,-5.81,;2.25,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,.23,;.29,1.77,;-1.04,2.54,;-2.37,1.77,;-2.37,.23,;-3.71,-.54,;-5.04,.23,;-5.04,1.77,;-3.71,2.54,;-6.37,1,;-7.71,.23,;-9.04,1,;-7.71,-1.31,;-6.37,-2.08,;-5.04,-1.31,;-3.71,-2.08,;-2.37,-1.31,;-1.04,-2.08,;-1.04,-3.62,;-2.37,-4.39,;-3.71,-3.62,;-5.04,-4.39,;.29,-4.39,;1.63,-3.62,;-.48,-5.72,;1.06,-5.72,;1.63,2.54,;2.96,1.77,;2.96,.23,;4.29,2.54,;4.46,4.07,;5.96,4.39,;6.73,5.72,;8.27,5.72,;9.04,4.39,;8.27,3.06,;6.73,3.06,;5.7,1.91,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1OC |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.46,;-4,-5,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.46,;-5.33,-2.69,;-4,-5,;-5.33,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,wU:13.16,10.9,7.7,c:21,(8,3.08,;6.67,2.31,;5.33,3.08,;5.33,4.62,;4,2.31,;4,.77,;2.67,3.08,;1.33,2.31,;1.33,.77,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-6.67,-.77,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;1.33,-3.85,;2.67,-4.62,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,1.1,;6.44,.7,;5.35,1.79,;5.75,3.28,;3.86,1.39,;3.47,-.09,;2.78,2.48,;1.29,2.09,;.89,.6,;.2,3.17,;-1.29,2.78,;-1.69,1.29,;-3.17,.89,;-4.26,1.98,;-3.86,3.47,;-2.38,3.86,;-5.35,3.07,;-6.84,2.67,;-7.93,3.76,;-7.24,1.18,;-6.15,.09,;-4.66,.49,;-3.57,-.6,;-2.09,-.2,;-1,-1.29,;-1.39,-2.78,;-.31,-3.86,;1.18,-3.47,;-2.88,-3.17,;-3.97,-2.09,;-5.46,-2.48,)|
COc1ccc(C2=NNC(=O)O[C@@]22CC[C@H](C[C@H](C)NC(=O)c3cc(Cl)no3)CC2)c(Br)c1 |r,wU:12.11,15.16,17.18,t:6,(1.08,-3.83,;-.41,-4.23,;-1.5,-3.14,;-1.1,-1.65,;-2.19,-.56,;-3.68,-.96,;-4.77,.13,;-6.25,-.27,;-7.34,.82,;-6.94,2.31,;-8.03,3.39,;-5.46,2.7,;-4.37,1.62,;-3.28,.53,;-1.79,.92,;-1.39,2.41,;.09,2.81,;1.18,1.72,;.78,.23,;2.67,2.12,;3.76,1.03,;3.36,-.46,;5.25,1.43,;5.72,2.89,;7.26,2.89,;8.03,4.23,;7.74,1.43,;6.49,.52,;-2.48,3.5,;-3.97,3.1,;-4.08,-2.45,;-5.56,-2.85,;-2.99,-3.54,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1Br |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc2cc(F)ccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-1.1,;.29,.44,;-1.04,1.21,;-2.37,.44,;-2.37,-1.1,;-3.71,-1.87,;-5.04,-1.1,;-5.04,.44,;-3.71,1.21,;-6.37,-.33,;-7.71,-1.1,;-9.04,-.33,;-7.71,-2.64,;-6.37,-3.41,;-5.04,-2.64,;-3.71,-3.41,;-2.37,-2.64,;-1.04,-3.41,;-1.04,-4.95,;.29,-5.72,;-2.37,-5.72,;-3.71,-4.95,;-5.04,-5.72,;1.63,1.21,;2.96,.44,;2.96,-1.1,;4.29,1.21,;4.46,2.74,;5.96,3.06,;6.73,4.39,;8.27,4.39,;9.04,5.72,;9.04,3.06,;8.27,1.72,;6.73,1.72,;5.7,.58,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc2cc(ccc2[nH]1)S(C)(=O)=O |r,wU:6.9,3.2,1.0,c:14,(-.37,-1.77,;-.37,-.23,;-1.71,.54,;-3.04,-.23,;-3.04,-1.77,;-4.37,-2.54,;-5.71,-1.77,;-5.71,-.23,;-4.37,.54,;-7.04,-1,;-8.38,-1.77,;-9.71,-1,;-8.38,-3.31,;-7.04,-4.08,;-5.71,-3.31,;-4.37,-4.08,;-3.04,-3.31,;-1.71,-4.08,;-1.71,-5.62,;-.37,-6.39,;-3.04,-6.39,;-4.37,-5.62,;-5.71,-6.39,;.96,.54,;2.29,-.23,;2.29,-1.77,;3.63,.54,;3.79,2.07,;5.3,2.39,;6.07,3.72,;7.61,3.72,;8.38,2.39,;7.61,1.06,;6.07,1.06,;5.03,-.09,;8.38,5.06,;7.61,6.39,;9.71,5.83,;9.71,4.29,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.52,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;-2.52,-1.29,;-3.85,-.52,;-3.85,1.02,;-2.52,1.79,;-5.19,.25,;-6.52,-.52,;-7.85,.25,;-6.52,-2.06,;-5.19,-2.83,;-3.85,-2.06,;-2.52,-2.83,;-1.18,-2.06,;.15,-2.83,;.15,-4.37,;1.48,-5.14,;-1.18,-5.14,;-2.52,-4.37,;-3.85,-5.14,;2.82,1.79,;4.15,1.02,;4.15,-.52,;5.48,1.79,;5.48,3.33,;6.95,3.81,;7.72,5.14,;7.85,2.56,;6.95,1.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C1CC1 |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;1.33,-3.57,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;-5.54,-3.57,;-4.77,-4.9,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C1CC1)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;1.48,-4.47,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;-5.39,-4.47,;-4.62,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(=O)(=O)C(C)C |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;.56,-4.9,;2.1,-4.9,;2.67,-2.8,;4,-3.57,;2.67,-1.26,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)S(=O)(=O)C(C)C)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;1.48,-4.47,;.71,-5.81,;2.25,-5.81,;2.82,-3.7,;2.82,-2.16,;4.15,-4.47,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccnn1C |r,wU:13.16,10.9,7.7,c:21,(7.93,.62,;6.44,.23,;5.35,1.32,;5.75,2.8,;3.86,.92,;3.47,-.57,;2.78,2.01,;1.29,1.61,;.89,.12,;.2,2.7,;-1.29,2.3,;-1.69,.81,;-3.17,.41,;-4.26,1.5,;-3.86,2.99,;-2.38,3.39,;-5.35,2.59,;-6.84,2.19,;-7.93,3.28,;-7.24,.7,;-6.15,-.39,;-4.66,.01,;-3.57,-1.08,;-2.11,-.6,;-1.2,-1.85,;-2.11,-3.09,;-3.57,-2.62,;-4.91,-3.39,)|
COc1cc(on1)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:16.20,13.13,10.11,c:25,(8.94,3.71,;7.45,4.11,;6.36,3.02,;4.82,3.02,;4.34,1.55,;5.59,.65,;6.84,1.55,;2.86,1.15,;2.46,-.33,;1.77,2.24,;.28,1.84,;-.12,.36,;-.81,2.93,;-2.3,2.53,;-2.69,1.05,;-4.18,.65,;-5.27,1.74,;-4.87,3.22,;-3.39,3.62,;-6.36,2.83,;-7.85,2.43,;-8.94,3.52,;-8.25,.94,;-7.16,-.15,;-5.67,.25,;-4.58,-.84,;-3.09,-.44,;-2,-1.53,;-2.4,-3.02,;-1.31,-4.11,;-3.89,-3.42,;-4.98,-2.33,;-6.47,-2.73,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.56,.38,;.56,1.93,;-.77,2.69,;-2.1,1.93,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,2.69,;-6.1,1.15,;-7.44,.38,;-8.77,1.15,;-7.44,-1.15,;-6.1,-1.93,;-4.77,-1.15,;-3.44,-1.93,;-2.1,-1.15,;-.77,-1.93,;-.77,-3.47,;.56,-4.23,;-2.1,-4.23,;-3.44,-3.47,;-4.77,-4.23,;1.9,2.69,;3.23,1.93,;3.23,.38,;4.56,2.69,;4.56,4.23,;5.9,1.93,;7.23,2.69,;8.77,2.69,;8,4.03,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,-.13,;1.48,1.41,;.15,2.18,;-1.18,1.41,;-1.18,-.13,;-2.52,-.9,;-3.85,-.13,;-3.85,1.41,;-2.52,2.18,;-5.19,.64,;-6.52,-.13,;-7.85,.64,;-6.52,-1.67,;-5.19,-2.44,;-3.85,-1.67,;-2.52,-2.44,;-1.18,-1.67,;.15,-2.44,;.15,-3.98,;-1.18,-4.75,;-2.52,-3.98,;-3.85,-4.75,;1.48,-4.75,;2.82,-5.52,;2.82,2.18,;4.15,1.41,;4.15,-.13,;5.48,2.18,;5.48,3.72,;6.95,4.19,;7.72,5.52,;7.85,2.95,;6.95,1.7,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(n[nH]1)C(F)(F)F |r,wU:6.9,3.2,1.0,c:14,(-.12,-.39,;.28,1.1,;-.81,2.19,;-2.3,1.79,;-2.69,.3,;-4.18,-.1,;-5.27,.99,;-4.87,2.48,;-3.39,2.88,;-6.36,2.08,;-7.85,1.68,;-8.94,2.77,;-8.25,.2,;-7.16,-.89,;-5.67,-.49,;-4.58,-1.58,;-3.09,-1.18,;-2,-2.27,;-2.4,-3.76,;-1.31,-4.85,;-3.89,-4.16,;-4.98,-3.07,;-6.47,-3.47,;1.77,1.5,;2.86,.41,;2.46,-1.08,;4.34,.81,;4.82,2.27,;6.36,2.27,;6.84,.81,;5.59,-.1,;7.45,3.36,;8.94,2.96,;7.05,4.85,;8.54,4.45,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1-c1ccccc1)-c1ccccc1 |r,wU:13.16,10.9,7.7,c:21,(8,3.85,;6.67,3.08,;5.33,3.85,;5.33,5.39,;4,3.08,;4,1.54,;2.67,3.85,;1.33,3.08,;1.33,1.54,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-5.33,2.31,;-6.67,1.54,;-8,2.31,;-6.67,,;-5.33,-.77,;-4,,;-2.67,-.77,;-1.33,,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-5.33,-5.39,;-4,-4.62,;1.33,-3.08,;1.33,-4.62,;2.67,-5.39,;4,-4.62,;4,-3.08,;2.67,-2.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1SC |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-4,-5,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1S(C)(=O)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;-5.33,-2.8,;-3.23,-4.9,;-4.77,-4.9,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cn(C)nn1 |r,wU:6.9,3.2,1.0,c:14,(.78,.23,;1.18,1.72,;.09,2.81,;-1.39,2.41,;-1.79,.92,;-3.28,.53,;-4.37,1.62,;-3.97,3.1,;-2.48,3.5,;-5.46,2.7,;-6.94,2.31,;-8.03,3.39,;-7.34,.82,;-6.25,-.27,;-4.77,.13,;-3.68,-.96,;-2.19,-.56,;-1.1,-1.65,;-1.5,-3.14,;-.41,-4.23,;-2.99,-3.54,;-4.08,-2.45,;-5.56,-2.85,;2.67,2.12,;3.76,1.03,;3.36,-.46,;5.25,1.43,;5.72,2.89,;7.26,2.89,;8.03,4.23,;7.74,1.43,;6.49,.52,)|
CCCS(=O)(=O)c1ccc(C2=NNC(=O)O[C@@]22CC[C@H](C[C@H](C)NC(=O)C(=O)NC)CC2)c(Cl)c1 |r,wU:16.15,19.20,21.22,t:10,(5.33,-2.8,;4,-3.57,;2.67,-2.8,;1.33,-3.57,;.56,-4.9,;2.1,-4.9,;,-2.8,;,-1.26,;-1.33,-.49,;-2.67,-1.26,;-4,-.49,;-5.33,-1.26,;-6.67,-.49,;-6.67,1.05,;-8,1.82,;-5.33,1.82,;-4,1.05,;-2.67,.28,;-1.33,1.05,;-1.33,2.59,;,3.36,;1.33,2.59,;1.33,1.05,;2.67,3.36,;4,2.59,;4,1.05,;5.33,3.36,;5.33,4.9,;6.67,2.59,;8,3.36,;-2.67,3.36,;-4,2.59,;-2.67,-2.8,;-4,-3.57,;-1.33,-3.57,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1S(C)(=O)=O)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.48,.15,;1.48,1.69,;.15,2.46,;-1.18,1.69,;-1.18,.15,;-2.52,-.62,;-3.85,.15,;-3.85,1.69,;-2.52,2.46,;-5.19,.92,;-6.52,.15,;-7.85,.92,;-6.52,-1.39,;-5.19,-2.16,;-3.85,-1.39,;-2.52,-2.16,;-1.18,-1.39,;.15,-2.16,;.15,-3.7,;-1.18,-4.47,;-2.52,-3.7,;-3.85,-4.47,;-5.19,-3.7,;-3.08,-5.81,;-4.62,-5.81,;2.82,2.46,;4.15,1.69,;4.15,.15,;5.48,2.46,;5.48,4,;6.95,4.47,;7.72,5.81,;7.85,3.23,;6.95,1.98,)|
CSc1ccccc1C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)c2cc(Cl)no2)CC1 |r,wU:14.14,17.19,19.21,t:9,(-3.85,-5.91,;-3.85,-4.37,;-2.52,-3.6,;-1.18,-4.37,;.15,-3.6,;.15,-2.06,;-1.18,-1.29,;-2.52,-2.06,;-3.85,-1.29,;-5.19,-2.06,;-6.52,-1.29,;-6.52,.25,;-7.85,1.02,;-5.19,1.02,;-3.85,.25,;-2.52,-.52,;-1.18,.25,;-1.18,1.79,;.15,2.56,;1.48,1.79,;1.48,.25,;2.82,2.56,;4.15,1.79,;4.15,.25,;5.48,2.56,;5.48,4.1,;6.95,4.58,;7.72,5.91,;7.85,3.33,;6.95,2.08,;-2.52,2.56,;-3.85,1.79,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)(F)F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,1.45,;6.44,1.05,;5.35,2.14,;5.75,3.63,;3.86,1.74,;3.47,.25,;2.78,2.83,;1.29,2.43,;.89,.94,;.2,3.52,;-1.29,3.12,;-1.69,1.63,;-3.17,1.23,;-4.26,2.32,;-3.86,3.81,;-2.38,4.21,;-5.35,3.41,;-6.84,3.01,;-7.93,4.1,;-7.24,1.53,;-6.15,.44,;-4.66,.84,;-3.57,-.25,;-2.09,.15,;-1,-.94,;-1.39,-2.43,;-.31,-3.52,;1.18,-3.12,;1.58,-1.63,;2.27,-4.21,;2.67,-2.72,;-2.88,-2.83,;-3.97,-1.74,;-5.46,-2.14,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)(F)F)cc1Br)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(.84,.45,;1.15,1.96,;.01,2.99,;-1.46,2.51,;-1.77,1,;-3.23,.52,;-4.38,1.54,;-4.07,3.05,;-2.6,3.53,;-5.53,2.57,;-6.99,2.09,;-8.14,3.12,;-7.31,.58,;-6.16,-.44,;-4.7,.04,;-3.55,-.99,;-2.09,-.51,;-.94,-1.54,;-1.25,-3.04,;-.11,-4.07,;1.36,-3.59,;1.67,-2.08,;2.82,-3.11,;2.51,-4.62,;-2.72,-3.52,;-3.86,-2.5,;-5.33,-2.98,;2.62,2.44,;3.77,1.41,;3.45,-.09,;5.23,1.9,;5.7,3.36,;7.24,3.37,;8.14,4.62,;7.72,1.9,;6.48,.99,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1nccn1CC1CC1 |r,wU:13.16,10.9,7.7,c:21,(7.99,2.67,;6.53,2.18,;5.38,3.21,;5.69,4.72,;3.92,2.73,;3.6,1.22,;2.77,3.76,;1.31,3.28,;.99,1.77,;.16,4.3,;-1.31,3.82,;-1.62,2.32,;-3.08,1.83,;-4.23,2.86,;-3.92,4.37,;-2.45,4.85,;-5.38,3.89,;-6.84,3.41,;-7.99,4.43,;-7.16,1.9,;-6.01,.87,;-4.55,1.35,;-3.4,.33,;-1.89,.65,;-1.12,-.68,;-2.15,-1.83,;-3.55,-1.21,;-4.89,-1.98,;-4.89,-3.52,;-5.66,-4.85,;-4.12,-4.85,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1nccn1CC1CC1)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(.84,1.23,;1.16,2.74,;.01,3.77,;-1.45,3.29,;-1.77,1.78,;-3.23,1.3,;-4.38,2.32,;-4.06,3.83,;-2.6,4.31,;-5.53,3.35,;-6.99,2.87,;-8.14,3.9,;-7.3,1.36,;-6.16,.34,;-4.69,.82,;-3.55,-.21,;-2.04,.12,;-1.27,-1.22,;-2.29,-2.36,;-3.7,-1.74,;-5.04,-2.51,;-5.04,-4.05,;-5.81,-5.39,;-4.27,-5.39,;2.62,3.22,;3.77,2.19,;3.45,.69,;5.23,2.68,;5.7,4.14,;7.24,4.14,;8.14,5.39,;7.72,2.68,;6.49,1.78,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1nccn1CC1CC1)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(-.22,1.28,;.1,2.79,;-1.05,3.82,;-2.51,3.33,;-2.83,1.83,;-4.29,1.35,;-5.44,2.37,;-5.12,3.88,;-3.66,4.36,;-6.59,3.4,;-8.05,2.92,;-9.2,3.95,;-8.36,1.41,;-7.22,.38,;-5.75,.87,;-4.6,-.16,;-3.1,.16,;-2.32,-1.17,;-3.35,-2.31,;-4.76,-1.69,;-6.09,-2.46,;-6.09,-4,;-6.86,-5.34,;-5.32,-5.34,;1.56,3.27,;2.71,2.24,;2.4,.74,;4.17,2.72,;4.64,4.18,;6.18,4.18,;7.2,5.34,;8.71,5.03,;9.2,3.57,;8.17,2.42,;6.67,2.72,;5.43,1.83,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OCC(F)F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.99,2.64,;6.53,2.16,;5.38,3.19,;5.69,4.7,;3.92,2.71,;3.6,1.2,;2.77,3.74,;1.31,3.26,;.99,1.75,;.16,4.28,;-1.31,3.8,;-1.62,2.29,;-3.08,1.81,;-4.23,2.84,;-3.92,4.35,;-2.45,4.83,;-5.38,3.87,;-6.84,3.39,;-7.99,4.41,;-7.16,1.88,;-6.01,.85,;-4.55,1.33,;-3.4,.31,;-1.94,.79,;-.79,-.24,;-1.1,-1.75,;.04,-2.77,;1.51,-2.29,;2.66,-3.32,;4.12,-2.84,;2.34,-4.83,;-2.57,-2.23,;-3.71,-1.2,;-5.18,-1.68,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OCC(F)(F)F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.99,2.64,;6.53,2.16,;5.38,3.19,;5.69,4.7,;3.92,2.71,;3.6,1.2,;2.77,3.74,;1.31,3.26,;.99,1.75,;.16,4.28,;-1.31,3.8,;-1.62,2.29,;-3.08,1.81,;-4.23,2.84,;-3.92,4.35,;-2.45,4.83,;-5.38,3.87,;-6.84,3.39,;-7.99,4.41,;-7.16,1.88,;-6.01,.85,;-4.55,1.33,;-3.4,.31,;-1.94,.79,;-.79,-.24,;-1.1,-1.75,;.04,-2.77,;1.51,-2.29,;2.66,-3.32,;4.12,-2.84,;2.34,-4.83,;3.74,-4.41,;-2.57,-2.23,;-3.71,-1.2,;-5.18,-1.68,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)(F)F)cc1Br)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(-.22,.51,;.1,2.01,;-1.05,3.04,;-2.51,2.56,;-2.83,1.05,;-4.29,.57,;-5.44,1.6,;-5.12,3.11,;-3.66,3.59,;-6.59,2.62,;-8.05,2.14,;-9.2,3.17,;-8.36,.64,;-7.22,-.39,;-5.75,.09,;-4.6,-.94,;-3.14,-.46,;-1.99,-1.48,;-2.31,-2.99,;-1.16,-4.02,;.3,-3.54,;1.45,-4.56,;.62,-2.03,;1.77,-3.05,;-3.77,-3.47,;-4.92,-2.44,;-6.38,-2.92,;1.56,2.49,;2.71,1.47,;2.4,-.04,;4.17,1.95,;4.64,3.41,;6.18,3.41,;7.2,4.56,;8.71,4.25,;9.2,2.79,;8.17,1.64,;6.67,1.95,;5.43,1.05,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)c1ccc(Cl)cc1F |r,wU:6.9,3.2,1.0,c:14,(.67,,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-3.33,-.77,;-4.67,,;-4.67,1.54,;-3.33,2.31,;-6,.77,;-7.34,,;-8.67,.77,;-7.34,-1.54,;-6,-2.31,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;-.67,-3.85,;.67,-4.62,;-2,-4.62,;-3.33,-3.85,;-4.67,-4.62,;2,2.31,;3.33,1.54,;3.33,,;4.67,2.31,;6,1.54,;7.34,2.31,;7.34,3.85,;8.67,4.62,;6,4.62,;4.67,3.85,;3.33,4.62,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)c1ccc(Cl)cn1 |r,wU:6.9,3.2,1.0,c:14,(.67,,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-3.33,-.77,;-4.67,,;-4.67,1.54,;-3.33,2.31,;-6,.77,;-7.34,,;-8.67,.77,;-7.34,-1.54,;-6,-2.31,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;-.67,-3.85,;.67,-4.62,;-2,-4.62,;-3.33,-3.85,;-4.67,-4.62,;2,2.31,;3.33,1.54,;3.33,,;4.67,2.31,;6,1.54,;7.34,2.31,;7.34,3.85,;8.67,4.62,;6,4.62,;4.67,3.85,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc2cc(F)ccc2o1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(Cl)no1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cn(C)nn1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1ncn[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C(C)(C)O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;.56,-4.9,;2.1,-4.9,;2.67,-2.8,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C(C)(C)O)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.19,;1.45,1.73,;.11,2.5,;-1.22,1.73,;-1.22,.19,;-2.55,-.58,;-3.89,.19,;-3.89,1.73,;-2.55,2.5,;-5.22,.96,;-6.55,.19,;-7.89,.96,;-6.55,-1.35,;-5.22,-2.12,;-3.89,-1.35,;-2.55,-2.12,;-1.22,-1.35,;.11,-2.12,;.11,-3.66,;-1.22,-4.43,;-2.55,-3.66,;-3.89,-4.43,;1.45,-4.43,;.68,-5.76,;2.22,-5.76,;2.78,-3.66,;2.78,2.5,;4.12,1.73,;4.12,.19,;5.45,2.5,;5.61,4.03,;7.12,4.35,;7.74,5.76,;7.89,3.02,;6.86,1.88,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(C)on1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc(on1)C(F)(F)F |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Cl)NC(=O)c1cc([nH]n1)C(F)(F)F |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1Cc2ccccc2C1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;.29,-5.06,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;5.7,1.25,;6.73,2.39,;8.27,2.39,;9.04,3.72,;8.27,5.06,;6.73,5.06,;5.96,3.72,;4.46,3.4,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.92,;5.33,2.69,;5.33,4.23,;4,1.92,;4,.38,;2.67,2.69,;1.33,1.92,;1.33,.38,;,2.69,;-1.33,1.92,;-1.33,.39,;-2.67,-.38,;-4,.39,;-4,1.92,;-2.67,2.7,;-5.33,1.15,;-6.67,.39,;-8,1.16,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.92,;-1.33,-1.15,;,-1.92,;,-3.46,;-1.33,-4.23,;-2.67,-3.46,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1C)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccnc1C)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1OC(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(8,4.23,;6.67,3.46,;5.33,4.23,;5.33,5.77,;4,3.46,;4,1.92,;2.67,4.23,;1.33,3.46,;1.33,1.92,;,4.23,;-1.33,3.46,;-1.33,1.92,;-2.67,1.16,;-4,1.92,;-4,3.46,;-2.67,4.24,;-5.33,2.69,;-6.67,1.92,;-8,2.69,;-6.67,.39,;-5.33,-.39,;-4,.39,;-2.67,-.38,;-1.33,.38,;,-.38,;,-1.92,;-1.33,-2.7,;-2.67,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-5,;-2.67,-5,;-4,-5.77,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc2CCOc12 |r,wU:13.16,10.9,7.7,c:21,(7.99,2.05,;6.53,1.57,;5.38,2.6,;5.69,4.1,;3.92,2.11,;3.6,.61,;2.77,3.14,;1.31,2.66,;.99,1.15,;.16,3.69,;-1.31,3.21,;-1.62,1.7,;-3.08,1.22,;-4.23,2.24,;-3.92,3.75,;-2.45,4.23,;-5.38,3.27,;-6.84,2.79,;-7.99,3.82,;-7.16,1.28,;-6.01,.26,;-4.55,.74,;-3.4,-.29,;-1.94,.19,;-.79,-.84,;-1.1,-2.34,;-2.57,-2.82,;-3.19,-4.23,;-4.72,-4.08,;-5.05,-2.57,;-3.71,-1.8,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc2CCOc12)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.84,.62,;1.16,2.12,;.01,3.15,;-1.45,2.67,;-1.77,1.16,;-3.23,.68,;-4.38,1.71,;-4.06,3.22,;-2.6,3.7,;-5.53,2.73,;-6.99,2.25,;-8.14,3.28,;-7.3,.75,;-6.16,-.28,;-4.69,.2,;-3.55,-.83,;-2.08,-.35,;-.93,-1.37,;-1.25,-2.88,;-2.71,-3.36,;-3.33,-4.77,;-4.87,-4.61,;-5.19,-3.11,;-3.86,-2.33,;2.62,2.6,;3.77,1.58,;3.45,.07,;5.23,2.06,;5.7,3.52,;7.24,3.52,;8.14,4.77,;7.72,2.06,;6.49,1.16,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc2CCOc12)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(.84,.62,;1.16,2.12,;.01,3.15,;-1.45,2.67,;-1.77,1.16,;-3.23,.68,;-4.38,1.71,;-4.06,3.22,;-2.6,3.7,;-5.53,2.73,;-6.99,2.25,;-8.14,3.28,;-7.3,.75,;-6.16,-.28,;-4.69,.2,;-3.55,-.83,;-2.08,-.35,;-.93,-1.37,;-1.25,-2.88,;-2.71,-3.36,;-3.33,-4.77,;-4.87,-4.61,;-5.19,-3.11,;-3.86,-2.33,;2.62,2.6,;3.77,1.58,;3.45,.07,;5.23,2.06,;5.7,3.52,;7.24,3.52,;8.14,4.77,;7.72,2.06,;6.49,1.16,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)N1Cc2ccccc2C1 |r,wU:6.9,3.2,1.0,c:14,(-.22,.75,;.1,2.25,;-1.05,3.28,;-2.51,2.8,;-2.83,1.29,;-4.29,.81,;-5.44,1.84,;-5.12,3.35,;-3.66,3.83,;-6.59,2.86,;-8.05,2.38,;-9.2,3.41,;-8.36,.88,;-7.22,-.15,;-5.75,.33,;-4.6,-.7,;-3.14,-.22,;-1.99,-1.24,;-2.31,-2.75,;-3.77,-3.23,;-4.92,-2.2,;-6.38,-2.68,;-1.16,-3.78,;-.01,-4.8,;1.56,2.73,;2.71,1.71,;2.4,.2,;4.17,2.19,;5.43,1.29,;6.67,2.19,;8.17,1.88,;9.2,3.03,;8.71,4.49,;7.2,4.8,;6.18,3.65,;4.64,3.65,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1OC(F)(F)F)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,1.07,;1.45,2.61,;.11,3.38,;-1.22,2.61,;-1.22,1.07,;-2.55,.3,;-3.89,1.07,;-3.89,2.61,;-2.55,3.38,;-5.22,1.84,;-6.55,1.07,;-7.89,1.84,;-6.55,-.47,;-5.22,-1.24,;-3.89,-.47,;-2.55,-1.24,;-1.22,-.47,;.11,-1.24,;.11,-2.78,;-1.22,-3.55,;-2.55,-2.78,;-3.89,-3.55,;-3.89,-5.09,;-5.22,-5.86,;-2.55,-5.86,;-3.89,-6.63,;2.78,3.38,;4.12,2.61,;4.12,1.07,;5.45,3.38,;5.61,4.91,;7.12,5.23,;7.74,6.63,;7.89,3.89,;6.86,2.75,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1OC(F)(F)F)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,1.07,;1.45,2.61,;.11,3.38,;-1.22,2.61,;-1.22,1.07,;-2.55,.3,;-3.89,1.07,;-3.89,2.61,;-2.55,3.38,;-5.22,1.84,;-6.55,1.07,;-7.89,1.84,;-6.55,-.47,;-5.22,-1.24,;-3.89,-.47,;-2.55,-1.24,;-1.22,-.47,;.11,-1.24,;.11,-2.78,;-1.22,-3.55,;-2.55,-2.78,;-3.89,-3.55,;-3.89,-5.09,;-5.22,-5.86,;-2.55,-5.86,;-3.89,-6.63,;2.78,3.38,;4.12,2.61,;4.12,1.07,;5.45,3.38,;5.61,4.91,;7.12,5.23,;7.74,6.63,;7.89,3.89,;6.86,2.75,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnccc1C)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnccc1C)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CSc1ccc(C2=NNC(=O)OC22CCN(C[C@H](C)NC(=O)c3cc4cc(F)ccc4o3)CC2)c(Cl)c1 |r,t:6|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O)NC(=O)c1cc2cc(F)ccc2o1 |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O)NC(=O)c1cc2cc(F)ccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;.29,-5.06,;1.63,-4.29,;-.48,-6.39,;1.06,-6.39,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,6.39,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc2OC(F)(F)Oc12 |r,wU:13.16,10.9,7.7,c:21,(8,4.3,;6.67,3.53,;5.33,4.3,;5.33,5.84,;4,3.53,;4,1.99,;2.67,4.3,;1.33,3.53,;1.33,1.99,;,4.3,;-1.33,3.53,;-1.33,1.99,;-2.67,1.22,;-4,1.99,;-4,3.53,;-2.67,4.3,;-5.33,2.76,;-6.67,1.99,;-8,2.76,;-6.67,.45,;-5.33,-.32,;-4,.45,;-2.67,-.32,;-1.33,.45,;,-.32,;,-1.86,;-1.33,-2.63,;-1.65,-4.14,;-3.19,-4.3,;-3.19,-5.84,;-4.52,-5.07,;-3.81,-2.89,;-2.67,-1.86,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)CC1CCC2(CC1)OC(=O)NN=C2c1ccncc1Br |r,wU:7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](CC1CCC2(CC1)OC(=O)NN=C2c1ccncc1Br)NC(=O)c1cc(Cl)no1 |r,wU:1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](CC1CCC2(CC1)OC(=O)NN=C2c1ccncc1Br)NC(=O)c1cc2ccccc2o1 |r,wU:1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C1(O)COC1 |r,wU:6.9,3.2,1.0,c:14,(2,.07,;2,1.61,;.67,2.38,;-.67,1.61,;-.67,.07,;-2,-.7,;-3.33,.07,;-3.33,1.61,;-2,2.38,;-4.67,.84,;-6,.07,;-7.34,.84,;-6,-1.47,;-4.67,-2.24,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;.67,-3.78,;2,-4.55,;-.67,-4.55,;-2,-3.78,;-3.33,-4.55,;3.33,2.38,;4.67,1.61,;4.67,.07,;6,2.38,;7.34,1.61,;7.09,3.47,;6,4.55,;4.91,3.47,)|
CNC1(COC1)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:15.19,12.12,9.10,c:24,(8,2.38,;6.67,1.61,;5.33,2.38,;6.42,3.47,;5.33,4.55,;4.25,3.47,;4,1.61,;4,.07,;2.67,2.38,;1.33,1.61,;1.33,.07,;,2.38,;-1.33,1.61,;-1.33,.07,;-2.67,-.7,;-4,.07,;-4,1.61,;-2.67,2.38,;-5.33,.84,;-6.67,.07,;-8,.84,;-6.67,-1.47,;-5.33,-2.24,;-4,-1.47,;-2.67,-2.24,;-1.33,-1.47,;,-2.24,;,-3.78,;1.33,-4.55,;-1.33,-4.55,;-2.67,-3.78,;-4,-4.55,)|
CNC(=O)C(=O)N[C@@H](C)CC1CCC2(CC1)OC(=O)NN=C2c1ccncc1C |r,wU:7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(C)ccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CSc1ccc(C2=NNC(=O)OC22CCN(C[C@H](C)NC(=O)c3cc(C)n[nH]3)CC2)c(Cl)c1 |r,t:6|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)S(C)(=O)=O)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(C)c1C |r,wU:13.16,10.9,7.7,c:21,(7.93,1.5,;6.44,1.1,;5.35,2.19,;5.75,3.68,;3.86,1.79,;3.47,.31,;2.78,2.88,;1.29,2.48,;.89,1,;.2,3.57,;-1.29,3.17,;-1.69,1.69,;-3.17,1.29,;-4.26,2.38,;-3.86,3.86,;-2.38,4.26,;-5.35,3.47,;-6.84,3.07,;-7.93,4.16,;-7.24,1.58,;-6.15,.49,;-4.66,.89,;-3.57,-.2,;-2.09,.2,;-1,-.89,;-1.39,-2.38,;-2.88,-2.78,;-3.28,-4.26,;-3.97,-1.69,;-5.46,-2.09,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OCC(C)(C)O)cc1Br |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;1.33,-3.57,;2.67,-2.8,;4,-3.57,;3.23,-4.9,;4.77,-4.9,;5.33,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OCC(C)(C)O)cc1Br)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.19,;1.45,1.73,;.11,2.5,;-1.22,1.73,;-1.22,.19,;-2.55,-.58,;-3.89,.19,;-3.89,1.73,;-2.55,2.5,;-5.22,.96,;-6.55,.19,;-7.89,.96,;-6.55,-1.35,;-5.22,-2.12,;-3.89,-1.35,;-2.55,-2.12,;-1.22,-1.35,;.11,-2.12,;.11,-3.66,;1.45,-4.43,;2.78,-3.66,;4.12,-4.43,;3.35,-5.76,;4.89,-5.76,;5.45,-3.66,;-1.22,-4.43,;-2.55,-3.66,;-3.89,-4.43,;2.78,2.5,;4.12,1.73,;4.12,.19,;5.45,2.5,;5.61,4.03,;7.12,4.35,;7.74,5.76,;7.89,3.02,;6.86,1.88,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OCC(C)(C)O)cc1Br)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,.23,;.29,1.77,;-1.04,2.54,;-2.37,1.77,;-2.37,.23,;-3.71,-.54,;-5.04,.23,;-5.04,1.77,;-3.71,2.54,;-6.37,1,;-7.71,.23,;-9.04,1,;-7.71,-1.31,;-6.37,-2.08,;-5.04,-1.31,;-3.71,-2.08,;-2.37,-1.31,;-1.04,-2.08,;-1.04,-3.62,;.29,-4.39,;1.63,-3.62,;2.96,-4.39,;2.19,-5.72,;3.73,-5.72,;4.29,-3.62,;-2.37,-4.39,;-3.71,-3.62,;-5.04,-4.39,;1.63,2.54,;2.96,1.77,;2.96,.23,;4.29,2.54,;4.46,4.07,;5.96,4.39,;6.73,5.72,;8.27,5.72,;9.04,4.39,;8.27,3.06,;6.73,3.06,;5.7,1.91,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C(C)C |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-5.33,-2.69,;-4,-5,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C(C)C)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.3,;1.45,1.84,;.11,2.61,;-1.22,1.84,;-1.22,.3,;-2.55,-.47,;-3.89,.3,;-3.89,1.84,;-2.55,2.61,;-5.22,1.07,;-6.55,.3,;-7.89,1.07,;-6.55,-1.24,;-5.22,-2.01,;-3.89,-1.24,;-2.55,-2.01,;-1.22,-1.24,;.11,-2.01,;.11,-3.55,;1.45,-4.32,;-1.22,-4.32,;-2.55,-3.55,;-3.89,-4.32,;-5.22,-3.55,;-3.89,-5.86,;2.78,2.61,;4.12,1.84,;4.12,.3,;5.45,2.61,;5.61,4.14,;7.12,4.46,;7.74,5.86,;7.89,3.12,;6.86,1.98,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1CCC(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;1.33,-3.47,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;-5.33,-2.69,;-6.67,-3.46,;-8,-2.69,;-6.67,-5,;-8,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1CCCC1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.23,;1.45,1.77,;.11,2.54,;-1.22,1.77,;-1.22,.23,;-2.55,-.54,;-3.89,.23,;-3.89,1.77,;-2.55,2.54,;-5.22,1,;-6.55,.23,;-7.89,1,;-6.55,-1.31,;-5.22,-2.08,;-3.89,-1.31,;-2.55,-2.08,;-1.22,-1.31,;.11,-2.08,;.11,-3.62,;1.45,-4.39,;-1.22,-4.39,;-2.55,-3.62,;-3.89,-4.39,;2.78,2.54,;4.12,1.77,;4.12,.23,;5.45,2.54,;6.86,1.91,;7.89,3.06,;7.12,4.39,;5.61,4.07,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1CC[C@@H](C1)c1ccccc1 |r,wU:6.9,3.2,1.0,29.34,c:14,(.44,-1.88,;.44,-.34,;-.89,.43,;-2.23,-.34,;-2.23,-1.88,;-3.56,-2.65,;-4.89,-1.88,;-4.89,-.34,;-3.56,.43,;-6.23,-1.11,;-7.56,-1.88,;-8.89,-1.11,;-7.56,-3.42,;-6.23,-4.19,;-4.89,-3.42,;-3.56,-4.19,;-2.23,-3.42,;-.89,-4.19,;-.89,-5.73,;.44,-6.5,;-2.23,-6.5,;-3.56,-5.73,;-4.89,-6.5,;1.78,.43,;3.11,-.34,;3.11,-1.88,;4.44,.43,;5.85,-.2,;6.88,.95,;6.11,2.28,;4.6,1.96,;6.74,3.69,;8.27,3.85,;8.89,5.26,;7.99,6.5,;6.46,6.34,;5.83,4.93,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1CC[C@H](C1)c1ccccc1 |r,wU:6.9,3.2,1.0,wD:29.34,c:14,(.44,-1.88,;.44,-.34,;-.89,.43,;-2.23,-.34,;-2.23,-1.88,;-3.56,-2.65,;-4.89,-1.88,;-4.89,-.34,;-3.56,.43,;-6.23,-1.11,;-7.56,-1.88,;-8.89,-1.11,;-7.56,-3.42,;-6.23,-4.19,;-4.89,-3.42,;-3.56,-4.19,;-2.23,-3.42,;-.89,-4.19,;-.89,-5.73,;.44,-6.5,;-2.23,-6.5,;-3.56,-5.73,;-4.89,-6.5,;1.78,.43,;3.11,-.34,;3.11,-1.88,;4.44,.43,;5.85,-.2,;6.88,.95,;6.11,2.28,;4.6,1.96,;6.74,3.69,;8.27,3.85,;8.89,5.26,;7.99,6.5,;6.46,6.34,;5.83,4.93,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1I |r,wU:13.16,10.9,7.7,c:21,(7.93,1.1,;6.44,.7,;5.35,1.79,;5.75,3.28,;3.86,1.39,;3.47,-.09,;2.78,2.48,;1.29,2.09,;.89,.6,;.2,3.17,;-1.29,2.78,;-1.69,1.29,;-3.17,.89,;-4.26,1.98,;-3.86,3.47,;-2.38,3.86,;-5.35,3.07,;-6.84,2.67,;-7.93,3.76,;-7.24,1.18,;-6.15,.09,;-4.66,.49,;-3.57,-.6,;-2.09,-.2,;-1,-1.29,;-1.39,-2.78,;-.31,-3.86,;-2.88,-3.17,;-3.97,-2.09,;-5.46,-2.48,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,1.45,;6.44,1.05,;5.35,2.14,;5.75,3.63,;3.86,1.74,;3.47,.25,;2.78,2.83,;1.29,2.43,;.89,.94,;.2,3.52,;-1.29,3.12,;-1.69,1.63,;-3.17,1.23,;-4.26,2.32,;-3.86,3.81,;-2.38,4.21,;-5.35,3.41,;-6.84,3.01,;-7.93,4.1,;-7.24,1.53,;-6.15,.44,;-4.66,.84,;-3.57,-.25,;-2.09,.15,;-1,-.94,;-1.39,-2.43,;-.31,-3.52,;1.18,-3.12,;2.27,-4.21,;1.58,-1.63,;-2.88,-2.83,;-3.97,-1.74,;-5.46,-2.14,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)F)cc1Br)NC(C)=O |r,wU:6.9,3.2,1.0,c:14,(2.18,.94,;2.58,2.43,;1.49,3.52,;,3.12,;-.4,1.63,;-1.89,1.23,;-2.98,2.32,;-2.58,3.81,;-1.09,4.21,;-4.06,3.41,;-5.55,3.01,;-6.64,4.1,;-5.95,1.53,;-4.86,.44,;-3.37,.84,;-2.28,-.25,;-.8,.15,;.29,-.94,;-.11,-2.43,;.98,-3.52,;2.47,-3.12,;3.56,-4.21,;2.87,-1.63,;-1.59,-2.83,;-2.68,-1.74,;-4.17,-2.14,;4.06,2.83,;5.15,1.74,;6.64,2.14,;4.75,.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1)NC(=O)c1cc2c(NC(C)=O)cccc2[nH]1 |r,wU:1.0,3.2,6.9,c:14,(-.31,-1.69,;.01,-.18,;-1.13,.85,;-2.6,.37,;-2.92,-1.13,;-4.38,-1.61,;-5.53,-.58,;-5.21,.93,;-3.74,1.4,;-6.62,.51,;-8.1,.11,;-9.19,1.2,;-8.5,-1.38,;-7.41,-2.47,;-5.93,-2.07,;-4.84,-3.16,;-5.24,-4.64,;-4.15,-5.73,;-2.66,-5.33,;-1.57,-6.42,;-2.26,-3.85,;-3.35,-2.76,;1.48,.29,;2.62,-.74,;2.3,-2.24,;4.09,-.26,;4.56,1.2,;6.1,1.2,;7.13,2.35,;6.66,3.81,;7.69,4.96,;9.19,4.64,;7.21,6.42,;8.64,2.03,;9.11,.56,;8.08,-.58,;6.58,-.26,;5.33,-1.17,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)F)cc1Br)NC(=O)c1ccn[nH]1 |r,wU:1.0,3.2,6.9,c:14,(1,1.17,;1.32,2.67,;.17,3.7,;-1.29,3.23,;-1.61,1.72,;-3.07,1.25,;-4.22,2.28,;-3.9,3.78,;-2.43,4.26,;-5.31,3.36,;-6.8,2.97,;-7.88,4.05,;-7.19,1.48,;-6.11,.39,;-4.62,.79,;-3.53,-.3,;-2.04,.1,;-.95,-.99,;-1.35,-2.48,;-.26,-3.57,;1.23,-3.17,;2.31,-4.26,;1.62,-1.68,;-2.84,-2.88,;-3.93,-1.79,;-5.42,-2.19,;2.78,3.15,;3.93,2.12,;3.61,.61,;5.39,2.59,;5.87,4.06,;7.41,4.06,;7.88,2.59,;6.64,1.69,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)F)cc1Br)NC(=O)c1cc(Cl)n[nH]1 |r,wU:1.0,3.2,6.9,c:14,(.78,.64,;1.1,2.15,;-.04,3.18,;-1.5,2.7,;-1.82,1.2,;-3.29,.72,;-4.43,1.75,;-4.11,3.26,;-2.65,3.73,;-5.52,2.84,;-7.01,2.44,;-8.1,3.53,;-7.41,.96,;-6.32,-.13,;-4.83,.26,;-3.74,-.82,;-2.26,-.43,;-1.17,-1.51,;-1.57,-3,;-.48,-4.09,;1.01,-3.69,;2.1,-4.78,;1.41,-2.2,;-3.05,-3.4,;-4.14,-2.31,;-5.63,-2.71,;2.57,2.63,;3.71,1.59,;3.39,.09,;5.18,2.07,;5.65,3.54,;7.19,3.54,;8.1,4.78,;7.67,2.07,;6.42,1.17,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(C)cc1C |r,wU:13.16,10.9,7.7,c:21,(7.93,1.1,;6.44,.7,;5.35,1.79,;5.75,3.28,;3.86,1.39,;3.47,-.09,;2.78,2.48,;1.29,2.09,;.89,.6,;.2,3.17,;-1.29,2.78,;-1.69,1.29,;-3.17,.89,;-4.26,1.98,;-3.86,3.47,;-2.38,3.86,;-5.35,3.07,;-6.84,2.67,;-7.93,3.76,;-7.24,1.18,;-6.15,.09,;-4.66,.49,;-3.57,-.6,;-2.09,-.2,;-1,-1.29,;-1.39,-2.78,;-.31,-3.86,;-2.88,-3.17,;-3.97,-2.09,;-5.46,-2.48,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnccc1C)NC(=O)c1nc2ccccc2[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ncccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ncccc1C)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ncccc1C)NC(=O)c1cc2ccccc2o1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1CC2CCCCC2C1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;-1.04,-4.29,;.29,-5.06,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;5.7,1.25,;6.73,2.39,;8.27,2.39,;9.04,3.72,;8.27,5.06,;6.73,5.06,;5.96,3.72,;4.46,3.4,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,.76,;6.44,.36,;5.35,1.45,;5.75,2.94,;3.86,1.05,;3.47,-.44,;2.78,2.14,;1.29,1.74,;.89,.25,;.2,2.83,;-1.29,2.43,;-1.69,.94,;-3.17,.54,;-4.26,1.63,;-3.86,3.12,;-2.38,3.52,;-5.35,2.72,;-6.84,2.32,;-7.93,3.41,;-7.24,.84,;-6.15,-.25,;-4.66,.15,;-3.57,-.94,;-2.09,-.54,;-1,-1.63,;-1.39,-3.12,;-2.88,-3.52,;-3.97,-2.43,;-5.46,-2.83,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C#N |r,wU:13.16,10.9,7.7,c:21,(8,3.08,;6.67,2.31,;5.33,3.08,;5.33,4.62,;4,2.31,;4,.77,;2.67,3.08,;1.33,2.31,;1.33,.77,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-6.67,-.77,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;1.33,-3.85,;2.67,-4.62,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C#N)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.09,;1.45,1.45,;.11,2.22,;-1.22,1.45,;-1.22,-.09,;-2.55,-.86,;-3.89,-.09,;-3.89,1.45,;-2.55,2.22,;-5.22,.68,;-6.55,-.09,;-7.89,.68,;-6.55,-1.63,;-5.22,-2.4,;-3.89,-1.63,;-2.55,-2.4,;-1.22,-1.63,;.11,-2.4,;.11,-3.94,;-1.22,-4.71,;-2.55,-3.94,;-3.89,-4.71,;1.45,-4.71,;2.78,-5.48,;2.78,2.22,;4.12,1.45,;4.12,-.09,;5.45,2.22,;5.61,3.75,;7.12,4.07,;7.74,5.48,;7.89,2.74,;6.86,1.59,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(OC)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;2.67,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C)NC(=O)N1CCc2ccccc2C1 |r,wU:6.9,3.2,1.0,c:14,(;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;-1.33,-3.85,;,-4.62,;-2.67,-4.62,;-4,-3.85,;-5.33,-4.62,;1.33,2.31,;2.67,1.54,;2.67,,;4,2.31,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;9.34,3.85,;9.34,2.31,;8,1.54,;6.67,2.31,;5.33,1.54,)|
COC(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1C |r,wU:11.14,8.7,5.5,c:19,(7.34,2.69,;6,3.47,;4.67,2.69,;4.67,1.15,;3.33,3.47,;2,2.69,;2,1.15,;.67,3.47,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-4.67,1.93,;-6,1.15,;-7.34,1.93,;-6,-.38,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-.67,-.38,;.67,-1.15,;.67,-2.69,;2,-3.47,;-.67,-3.47,;-2,-2.69,;-3.33,-3.47,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(F)ccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,.76,;6.44,.36,;5.35,1.45,;5.75,2.94,;3.86,1.05,;3.47,-.44,;2.78,2.14,;1.29,1.74,;.89,.25,;.2,2.83,;-1.29,2.43,;-1.69,.94,;-3.17,.54,;-4.26,1.63,;-3.86,3.12,;-2.38,3.52,;-5.35,2.72,;-6.84,2.32,;-7.93,3.41,;-7.24,.84,;-6.15,-.25,;-4.66,.15,;-3.57,-.94,;-2.09,-.54,;-1,-1.63,;.49,-1.23,;-1.39,-3.12,;-2.88,-3.52,;-3.97,-2.43,;-5.31,-3.2,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(Cl)cc1C |r,wU:13.16,10.9,7.7,c:21,(7.93,1.1,;6.44,.7,;5.35,1.79,;5.75,3.28,;3.86,1.39,;3.47,-.09,;2.78,2.48,;1.29,2.09,;.89,.6,;.2,3.17,;-1.29,2.78,;-1.69,1.29,;-3.17,.89,;-4.26,1.98,;-3.86,3.47,;-2.38,3.86,;-5.35,3.07,;-6.84,2.67,;-7.93,3.76,;-7.24,1.18,;-6.15,.09,;-4.66,.49,;-3.57,-.6,;-2.09,-.2,;-1,-1.29,;-1.39,-2.78,;-.31,-3.86,;-2.88,-3.17,;-3.97,-2.09,;-5.46,-2.48,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CCC1 |r,wU:13.16,10.9,7.7,c:21,(7.93,1.85,;6.44,1.45,;5.35,2.54,;5.75,4.02,;3.86,2.14,;3.47,.65,;2.78,3.23,;1.29,2.83,;.89,1.34,;.2,3.92,;-1.29,3.52,;-1.69,2.03,;-3.17,1.63,;-4.26,2.72,;-3.86,4.21,;-2.38,4.61,;-5.35,3.81,;-6.84,3.41,;-7.93,4.5,;-7.24,1.93,;-6.15,.84,;-4.66,1.23,;-3.57,.15,;-2.09,.54,;-1,-.54,;-1.39,-2.03,;-2.88,-2.43,;-3.97,-1.34,;-5.46,-1.74,;-.31,-3.12,;.11,-4.61,;1.6,-4.21,;1.2,-2.72,)|
COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)c2cc(C)n[nH]2)CC1 |r,wU:15.15,18.20,20.22,t:10,(1.01,-3.79,;-.48,-4.18,;-1.57,-3.1,;-3.05,-3.49,;-4.14,-2.41,;-5.63,-2.8,;-3.75,-.92,;-2.26,-.52,;-1.17,-1.61,;-4.83,.17,;-6.32,-.23,;-7.41,.86,;-7.01,2.35,;-8.1,3.44,;-5.52,2.75,;-4.44,1.66,;-3.35,.57,;-1.86,.97,;-1.46,2.46,;.03,2.85,;1.12,1.77,;.72,.28,;2.6,2.16,;3.69,1.08,;3.29,-.41,;5.18,1.47,;5.66,2.94,;7.2,2.94,;8.1,4.18,;7.67,1.47,;6.43,.57,;-2.55,3.54,;-4.04,3.15,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(O)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CCOC(=C)c1ccc(C2=NNC(=O)O[C@@]22CC[C@H](C[C@H](C)NC(=O)C(=O)NC)CC2)c(C)c1 |r,wU:15.14,18.19,20.21,t:9,(5.33,-2.7,;4,-3.47,;2.67,-2.7,;1.33,-3.47,;1.33,-5,;,-2.7,;,-1.16,;-1.33,-.39,;-2.67,-1.16,;-4,-.39,;-5.33,-1.16,;-6.67,-.39,;-6.67,1.15,;-8,1.92,;-5.33,1.92,;-4,1.15,;-2.67,.38,;-1.33,1.15,;-1.33,2.69,;,3.46,;1.33,2.69,;1.33,1.15,;2.67,3.46,;4,2.69,;4,1.15,;5.33,3.46,;5.33,5,;6.67,2.69,;8,3.46,;-2.67,3.46,;-4,2.69,;-2.67,-2.7,;-4,-3.47,;-1.33,-3.47,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CCOCC1 |r,wU:13.16,10.9,7.7,c:21,(7.93,2.39,;6.44,1.99,;5.35,3.08,;5.75,4.57,;3.86,2.68,;3.47,1.2,;2.78,3.77,;1.29,3.37,;.89,1.89,;.2,4.46,;-1.29,4.06,;-1.69,2.58,;-3.17,2.18,;-4.26,3.27,;-3.86,4.75,;-2.38,5.15,;-5.35,4.36,;-6.84,3.96,;-7.93,5.05,;-7.24,2.47,;-6.15,1.38,;-4.66,1.78,;-3.57,.69,;-2.09,1.09,;-1,,;-1.39,-1.49,;-2.88,-1.89,;-3.97,-.8,;-5.46,-1.2,;-.31,-2.58,;-.7,-4.06,;.38,-5.15,;1.87,-4.75,;2.27,-3.27,;1.18,-2.18,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CCCC1 |r,wU:13.16,10.9,7.7,c:21,(7.93,2.21,;6.44,1.81,;5.35,2.9,;5.75,4.39,;3.86,2.51,;3.47,1.02,;2.78,3.59,;1.29,3.2,;.89,1.71,;.2,4.28,;-1.29,3.89,;-1.69,2.4,;-3.17,2,;-4.26,3.09,;-3.86,4.58,;-2.38,4.97,;-5.35,4.18,;-6.84,3.78,;-7.93,4.87,;-7.24,2.29,;-6.15,1.2,;-4.66,1.6,;-3.57,.51,;-2.09,.91,;-1,-.18,;-1.39,-1.67,;-2.88,-2.06,;-3.97,-.98,;-5.46,-1.37,;-.31,-2.75,;-.55,-4.28,;.83,-4.97,;1.91,-3.89,;1.22,-2.51,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CCCCC1 |r,wU:13.16,10.9,7.7,c:21,(7.93,2.36,;6.44,1.96,;5.35,3.05,;5.75,4.53,;3.86,2.65,;3.47,1.16,;2.78,3.74,;1.29,3.34,;.89,1.85,;.2,4.43,;-1.29,4.03,;-1.69,2.54,;-3.17,2.14,;-4.26,3.23,;-3.86,4.72,;-2.38,5.12,;-5.35,4.32,;-6.84,3.92,;-7.93,5.01,;-7.24,2.43,;-6.15,1.34,;-4.66,1.74,;-3.57,.65,;-2.09,1.05,;-1,-.04,;-1.39,-1.52,;-2.88,-1.92,;-3.97,-.83,;-5.46,-1.23,;-.31,-2.61,;-.55,-4.13,;.64,-5.12,;2.09,-4.58,;2.35,-3.06,;1.16,-2.07,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C(C)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;1.33,-3.47,;2.67,-2.7,;1.33,-5,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)C#N |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(OCC(F)(F)F)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,3.47,;6.67,2.69,;5.33,3.47,;5.33,5,;4,2.69,;4,1.15,;2.67,3.47,;1.33,2.69,;1.33,1.15,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;1.33,-3.47,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;4,-5,;5.33,-4.23,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.47,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C1CC1 |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;2.87,-3.57,;2.1,-4.9,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(I)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(C)cc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;1.33,-3.47,;2.67,-2.7,;1.33,-5,;2.67,-4.24,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)C#N |r,wU:13.16,10.9,7.7,c:21,(7.93,1.65,;6.44,1.25,;5.35,2.34,;5.75,3.83,;3.86,1.94,;3.47,.45,;2.78,3.03,;1.29,2.63,;.89,1.14,;.2,3.72,;-1.29,3.32,;-1.69,1.83,;-3.17,1.43,;-4.26,2.52,;-3.86,4.01,;-2.38,4.41,;-5.35,3.61,;-6.84,3.21,;-7.93,4.3,;-7.24,1.73,;-6.15,.64,;-4.66,1.04,;-3.57,-.05,;-2.09,.35,;-1,-.74,;-1.39,-2.23,;-2.88,-2.63,;-3.97,-1.54,;-5.46,-1.94,;-.31,-3.32,;.78,-4.41,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Cl)C#N)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.72,.82,;1.12,2.31,;.03,3.4,;-1.46,3,;-1.86,1.51,;-3.35,1.11,;-4.44,2.2,;-4.04,3.69,;-2.55,4.09,;-5.52,3.29,;-7.01,2.89,;-8.1,3.98,;-7.41,1.41,;-6.32,.32,;-4.83,.72,;-3.75,-.37,;-2.26,.03,;-1.17,-1.06,;-1.57,-2.55,;-3.05,-2.95,;-4.14,-1.86,;-5.63,-2.26,;-.48,-3.64,;.61,-4.73,;2.6,2.71,;3.69,1.62,;3.29,.13,;5.18,2.02,;5.66,3.48,;7.2,3.48,;8.1,4.73,;7.67,2.02,;6.43,1.11,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1I)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.15,.6,;.54,2.09,;-.54,3.17,;-2.03,2.78,;-2.43,1.29,;-3.92,.89,;-5.01,1.98,;-4.61,3.47,;-3.12,3.86,;-6.1,3.07,;-7.58,2.67,;-8.67,3.76,;-7.98,1.18,;-6.89,.09,;-5.41,.49,;-4.32,-.6,;-2.83,-.2,;-1.74,-1.29,;-2.14,-2.78,;-1.05,-3.86,;-3.63,-3.17,;-4.72,-2.09,;-6.2,-2.48,;2.03,2.48,;3.12,1.39,;2.72,-.09,;4.61,1.79,;5.01,3.28,;5.7,.7,;7.18,1.1,;8.67,.7,;8.27,2.19,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C(C)(C)O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;.56,-4.9,;2.1,-4.9,;2.67,-2.8,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(=O)NC1CC1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(7.93,1.85,;6.44,1.45,;5.35,2.54,;5.75,4.02,;3.86,2.14,;3.47,.65,;2.78,3.23,;1.29,2.83,;.89,1.34,;.2,3.92,;-1.29,3.52,;-1.69,2.03,;-3.17,1.63,;-4.26,2.72,;-3.86,4.21,;-2.38,4.61,;-5.35,3.81,;-6.84,3.41,;-7.93,4.5,;-7.24,1.93,;-6.15,.84,;-4.66,1.23,;-3.57,.15,;-2.09,.54,;-1,-.54,;-1.39,-2.03,;-2.88,-2.43,;-3.97,-1.34,;-5.31,-2.11,;-.31,-3.12,;1.18,-2.72,;-.7,-4.61,;.09,-1.63,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CC(C)C1 |r,wU:13.16,10.9,7.7,c:21,(7.93,2.42,;6.44,2.02,;5.35,3.11,;5.75,4.6,;3.86,2.71,;3.47,1.22,;2.78,3.8,;1.29,3.4,;.89,1.91,;.2,4.49,;-1.29,4.09,;-1.69,2.6,;-3.17,2.2,;-4.26,3.29,;-3.86,4.78,;-2.38,5.18,;-5.35,4.38,;-6.84,3.98,;-7.93,5.07,;-7.24,2.5,;-6.15,1.41,;-4.66,1.81,;-3.57,.72,;-2.09,1.12,;-1,.03,;-1.39,-1.46,;-2.88,-1.86,;-3.97,-.77,;-5.46,-1.17,;-.31,-2.55,;-.31,-4.09,;1.23,-4.09,;2.32,-5.18,;1.23,-2.55,)|
CNC(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1I |r,wU:11.14,8.7,5.5,c:19,(7.18,.7,;6.1,1.79,;4.61,1.39,;4.21,-.09,;3.52,2.48,;2.03,2.09,;1.63,.6,;.94,3.17,;-.54,2.78,;-.94,1.29,;-2.43,.89,;-3.52,1.98,;-3.12,3.47,;-1.63,3.86,;-4.61,3.07,;-6.1,2.67,;-7.18,3.76,;-6.49,1.18,;-5.41,.09,;-3.92,.49,;-2.83,-.6,;-1.34,-.2,;-.25,-1.29,;-.65,-2.78,;.44,-3.86,;-2.14,-3.17,;-3.23,-2.09,;-4.72,-2.48,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br |r,wU:13.16,10.9,7.7,c:21,(8,2.7,;6.67,1.93,;5.33,2.7,;5.33,4.24,;4,1.93,;4,.39,;2.67,2.7,;1.33,1.93,;1.33,.39,;,2.7,;-1.33,1.92,;-1.33,.38,;-2.67,-.39,;-4,.38,;-4,1.92,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.16,;-5.33,-1.93,;-4,-1.16,;-2.67,-1.93,;-1.33,-1.16,;,-1.93,;1.33,-1.15,;2.67,-1.92,;4,-1.15,;2.67,-3.46,;,-3.47,;-1.33,-4.24,;-2.67,-3.47,;-4,-4.24,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C(C)(C)O |r,wU:13.16,10.9,7.7,c:21,(8,3.36,;6.67,2.59,;5.33,3.36,;5.33,4.9,;4,2.59,;4,1.05,;2.67,3.36,;1.33,2.59,;1.33,1.05,;,3.36,;-1.33,2.59,;-1.33,1.05,;-2.67,.28,;-4,1.05,;-4,2.59,;-2.67,3.36,;-5.33,1.82,;-6.67,1.05,;-8,1.82,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-1.33,-.49,;,-1.26,;,-2.8,;-1.33,-3.57,;-2.67,-2.8,;-4,-3.57,;1.33,-3.57,;.56,-4.9,;2.1,-4.9,;2.67,-2.8,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C(O)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.47,;6.67,2.69,;5.33,3.47,;5.33,5,;4,2.69,;4,1.15,;2.67,3.47,;1.33,2.69,;1.33,1.15,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.47,;1.33,-3.47,;2.67,-2.69,;1.33,-5,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C(N)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.47,;6.67,2.69,;5.33,3.47,;5.33,5,;4,2.69,;4,1.15,;2.67,3.47,;1.33,2.69,;1.33,1.15,;,3.47,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;,-2.69,;-1.33,-3.47,;-2.67,-2.69,;-4,-3.47,;1.33,-3.47,;2.67,-2.69,;1.33,-5,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C#N |r,wU:13.16,10.9,7.7,c:21,(8,3.08,;6.67,2.31,;5.33,3.08,;5.33,4.62,;4,2.31,;4,.77,;2.67,3.08,;1.33,2.31,;1.33,.77,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-6.67,-.77,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;1.33,-3.85,;2.67,-4.62,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)NC1CC1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)N(N=C2c1ccc(F)cc1Br)C(=O)NC1CC1)NC(=O)NC1CC1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CC2(COC2)C1 |r,wU:13.16,10.9,7.7,c:21,(7.93,2.64,;6.44,2.24,;5.35,3.33,;5.75,4.82,;3.86,2.93,;3.47,1.45,;2.78,4.02,;1.29,3.63,;.89,2.14,;.2,4.71,;-1.29,4.32,;-1.69,2.83,;-3.17,2.43,;-4.26,3.52,;-3.86,5.01,;-2.38,5.4,;-5.35,4.61,;-6.84,4.21,;-7.93,5.3,;-7.24,2.72,;-6.15,1.63,;-4.66,2.03,;-3.57,.94,;-2.09,1.34,;-1,.25,;-1.39,-1.24,;-2.88,-1.63,;-3.97,-.55,;-5.46,-.94,;-.31,-2.32,;-.31,-3.86,;1.23,-3.86,;1.23,-5.4,;2.77,-5.4,;2.77,-3.86,;1.23,-2.32,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CC(C1)C(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(7.93,3.16,;6.44,2.76,;5.35,3.85,;5.75,5.34,;3.86,3.45,;3.47,1.97,;2.78,4.54,;1.29,4.14,;.89,2.66,;.2,5.23,;-1.29,4.83,;-1.69,3.35,;-3.17,2.95,;-4.26,4.04,;-3.86,5.52,;-2.38,5.92,;-5.35,5.13,;-6.84,4.73,;-7.93,5.82,;-7.24,3.24,;-6.15,2.15,;-4.66,2.55,;-3.57,1.46,;-2.09,1.86,;-1,.77,;-1.39,-.72,;-2.88,-1.12,;-3.97,-.03,;-5.46,-.43,;-.31,-1.81,;-.31,-3.35,;1.23,-3.35,;1.23,-1.81,;2.32,-4.44,;3.81,-4.04,;1.92,-5.92,;2.72,-2.95,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)C(C)=O |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;1.33,-3.47,;2.67,-2.7,;1.33,-5,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.92,;2.67,-3.46,;4,-1.15,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)(F)F)cc1Br)NC(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(1.23,1.15,;1.23,2.69,;-.1,3.47,;-1.44,2.69,;-1.44,1.15,;-2.77,.38,;-4.1,1.15,;-4.1,2.69,;-2.77,3.47,;-5.44,1.93,;-6.77,1.15,;-8.11,1.93,;-6.77,-.38,;-5.44,-1.15,;-4.1,-.38,;-2.77,-1.15,;-1.44,-.38,;-.1,-1.15,;-.1,-2.69,;1.23,-3.47,;2.56,-2.69,;2.56,-1.15,;3.9,-3.46,;3.9,-1.92,;-1.44,-3.47,;-2.77,-2.69,;-4.1,-3.47,;2.56,3.47,;3.9,2.69,;3.9,1.15,;5.23,3.47,;6.57,2.69,;7.34,1.36,;8.11,2.69,)|
CNC(=O)C(=O)N[C@@H](C)CN1C[C@@H]2CC[C@H](C1)[C@]21OC(=O)NN=C1c1ccc(F)cc1Cl |r,c:24|
C[C@@H](CN1C[C@@H]2CC[C@H](C1)[C@]21OC(=O)NN=C1c1ccc(F)cc1Cl)NC(=O)c1cc(C)n[nH]1 |r,c:17|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:13.16,10.9,7.7,c:21,(7.93,.76,;6.44,.36,;5.35,1.45,;5.75,2.94,;3.86,1.05,;3.47,-.44,;2.78,2.14,;1.29,1.74,;.89,.25,;.2,2.83,;-1.29,2.43,;-1.69,.94,;-3.17,.54,;-4.26,1.63,;-3.86,3.12,;-2.38,3.52,;-5.35,2.72,;-6.84,2.32,;-7.93,3.41,;-7.24,.84,;-6.15,-.25,;-4.66,.15,;-3.57,-.94,;-2.09,-.54,;-1,-1.63,;-1.39,-3.12,;-2.88,-3.52,;-3.97,-2.43,;-5.46,-2.83,;.49,-1.23,;1.98,-.84,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.72,.82,;1.12,2.31,;.03,3.4,;-1.46,3,;-1.86,1.51,;-3.35,1.11,;-4.44,2.2,;-4.04,3.69,;-2.55,4.09,;-5.52,3.29,;-7.01,2.89,;-8.1,3.98,;-7.41,1.41,;-6.32,.32,;-4.83,.72,;-3.75,-.37,;-2.26,.03,;-1.17,-1.06,;-1.57,-2.55,;-3.05,-2.95,;-4.14,-1.86,;-5.63,-2.26,;-.48,-3.64,;.61,-4.73,;2.6,2.71,;3.69,1.62,;3.29,.13,;5.18,2.02,;5.66,3.48,;7.2,3.48,;8.1,4.73,;7.67,2.02,;6.43,1.11,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)N1CCOCC1)NC(=O)N1CCOCC1 |r,wU:6.9,3.2,1.0,c:14,(1.33,1.15,;1.33,2.69,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;-1.33,-3.47,;-2.67,-2.7,;-4,-3.47,;1.33,-3.47,;1.33,-5,;2.67,-5.78,;4,-5,;4,-3.47,;2.67,-2.69,;2.67,3.46,;4,2.69,;4,1.15,;5.33,3.46,;6.67,2.69,;8,3.46,;8,5,;6.67,5.78,;5.33,5,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C(O)=O)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.3,;1.45,1.84,;.11,2.61,;-1.22,1.84,;-1.22,.3,;-2.55,-.47,;-3.89,.3,;-3.89,1.84,;-2.55,2.61,;-5.22,1.07,;-6.55,.3,;-7.89,1.07,;-6.55,-1.24,;-5.22,-2.01,;-3.89,-1.24,;-2.55,-2.01,;-1.22,-1.24,;.11,-2.01,;.11,-3.55,;-1.22,-4.32,;-2.55,-3.55,;-3.89,-4.32,;1.45,-4.32,;2.78,-3.55,;1.45,-5.86,;2.78,2.61,;4.12,1.84,;4.12,.3,;5.45,2.61,;5.61,4.14,;7.12,4.46,;7.74,5.86,;7.89,3.12,;6.86,1.98,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(=O)NC12CC(C1)C2 |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.56,.38,;.56,1.93,;-.77,2.69,;-2.1,1.93,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,2.69,;-6.1,1.15,;-7.44,.38,;-8.77,1.15,;-7.44,-1.15,;-6.1,-1.93,;-4.77,-1.15,;-3.44,-1.93,;-2.1,-1.15,;-.77,-1.93,;-.77,-3.47,;.56,-4.23,;-2.1,-4.23,;-3.44,-3.47,;-4.77,-4.23,;1.9,2.69,;3.23,1.93,;3.23,.38,;4.56,2.69,;4.56,4.23,;5.9,1.93,;7.23,2.69,;8.77,2.69,;8,4.03,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)C(=O)NC1CC1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,.3,;1.45,1.84,;.11,2.61,;-1.22,1.84,;-1.22,.3,;-2.55,-.47,;-3.89,.3,;-3.89,1.84,;-2.55,2.61,;-5.22,1.07,;-6.55,.3,;-7.89,1.07,;-6.55,-1.24,;-5.22,-2.01,;-3.89,-1.24,;-2.55,-2.01,;-1.22,-1.24,;.11,-2.01,;.11,-3.55,;-1.22,-4.32,;-2.55,-3.55,;-3.89,-4.32,;1.45,-4.32,;1.45,-5.86,;2.78,-3.55,;4.12,-4.32,;4.89,-5.66,;5.66,-4.32,;2.78,2.61,;4.12,1.84,;4.12,.3,;5.45,2.61,;5.61,4.14,;7.12,4.46,;7.74,5.86,;7.89,3.12,;6.86,1.98,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(C#N)c(C)c1 |r,wU:13.16,10.9,7.7,c:21,(8,3.46,;6.67,2.69,;5.33,3.46,;5.33,5,;4,2.69,;4,1.15,;2.67,3.46,;1.33,2.69,;1.33,1.15,;,3.46,;-1.33,2.69,;-1.33,1.15,;-2.67,.38,;-4,1.15,;-4,2.69,;-2.67,3.46,;-5.33,1.92,;-6.67,1.15,;-8,1.92,;-6.67,-.39,;-5.33,-1.16,;-4,-.39,;-2.67,-1.16,;-1.33,-.39,;,-1.16,;,-2.7,;1.33,-3.47,;2.67,-4.24,;-1.33,-3.47,;-1.33,-5,;-2.67,-2.7,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CONC(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1I |r,wU:12.15,9.8,6.6,c:20,(7.93,1.1,;6.44,.7,;5.35,1.79,;3.86,1.39,;3.47,-.09,;2.78,2.48,;1.29,2.09,;.89,.6,;.2,3.17,;-1.29,2.78,;-1.69,1.29,;-3.17,.89,;-4.26,1.98,;-3.86,3.47,;-2.38,3.86,;-5.35,3.07,;-6.84,2.67,;-7.93,3.76,;-7.24,1.18,;-6.15,.09,;-4.66,.49,;-3.57,-.6,;-2.09,-.2,;-1,-1.29,;-1.39,-2.78,;-.31,-3.86,;-2.88,-3.17,;-3.97,-2.09,;-5.46,-2.48,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1C)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.56,.38,;.56,1.93,;-.77,2.69,;-2.1,1.93,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,2.69,;-6.1,1.15,;-7.44,.38,;-8.77,1.15,;-7.44,-1.15,;-6.1,-1.93,;-4.77,-1.15,;-3.44,-1.93,;-2.1,-1.15,;-.77,-1.93,;-.77,-3.47,;.56,-4.23,;-2.1,-4.23,;-3.44,-3.47,;-4.77,-4.23,;1.9,2.69,;3.23,1.93,;3.23,.38,;4.56,2.69,;4.56,4.23,;5.9,1.93,;7.23,2.69,;8.77,2.69,;8,4.03,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(Br)cc1C)NC(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(1.23,1.15,;1.23,2.69,;-.1,3.47,;-1.44,2.69,;-1.44,1.15,;-2.77,.38,;-4.1,1.15,;-4.1,2.69,;-2.77,3.47,;-5.44,1.93,;-6.77,1.15,;-8.11,1.93,;-6.77,-.38,;-5.44,-1.15,;-4.1,-.38,;-2.77,-1.15,;-1.44,-.38,;-.1,-1.15,;-.1,-2.69,;1.23,-3.47,;-1.44,-3.47,;-2.77,-2.69,;-4.1,-3.46,;2.56,3.47,;3.9,2.69,;3.9,1.15,;5.23,3.47,;6.57,2.69,;7.34,1.36,;8.11,2.69,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(F)F |r,wU:6.9,3.2,1.0,c:14,(2,.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-6,-1.15,;-4.67,-1.93,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,2.69,;7.34,1.93,;6,4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Br)ccc1C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)CNC(C)=O |r,wU:6.9,3.2,1.0,c:14,(.67,.38,;.67,1.93,;-.67,2.69,;-2,1.93,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-3.33,2.69,;-6,1.15,;-7.34,.38,;-8.67,1.15,;-7.34,-1.15,;-6,-1.93,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;-2,-4.23,;-3.33,-3.47,;-4.67,-4.23,;2,2.69,;3.33,1.93,;3.33,.38,;4.67,2.69,;6,1.93,;7.34,2.69,;8.67,1.93,;7.34,4.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;1.45,-2.01,;2.78,-2.78,;4.12,-2.01,;2.78,-4.32,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1C)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;1.45,-2.01,;2.78,-2.78,;4.12,-2.01,;2.78,-4.32,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(Cl)cc1C |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(Cl)cc1C)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1C)N1CCOCC1)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.56,1.54,;.56,3.08,;-.77,3.85,;-2.1,3.08,;-2.1,1.54,;-3.44,.77,;-4.77,1.54,;-4.77,3.08,;-3.44,3.85,;-6.1,2.31,;-7.44,1.54,;-8.77,2.31,;-7.44,,;-6.1,-.77,;-4.77,,;-3.44,-.77,;-2.1,,;-.77,-.77,;-.77,-2.31,;-2.1,-3.08,;-3.44,-2.31,;-4.77,-3.08,;.56,-3.08,;.56,-4.62,;1.9,-5.39,;3.23,-4.62,;3.23,-3.08,;1.9,-2.31,;1.9,3.85,;3.23,3.08,;3.23,1.54,;4.56,3.85,;4.56,5.39,;5.9,3.08,;7.23,3.85,;8.77,3.85,;8,5.18,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;1.45,-5.09,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;6.86,1.21,;7.89,2.35,;7.12,3.69,;7.74,5.09,;5.61,3.37,)|
COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)C(=O)NC2CC2)CC1 |r,wU:15.15,18.20,20.22,t:10,(1.9,-3.47,;.56,-4.23,;-.77,-3.47,;-2.1,-4.23,;-3.44,-3.47,;-4.77,-4.23,;-3.44,-1.93,;-2.1,-1.15,;-.77,-1.93,;-4.77,-1.15,;-6.1,-1.93,;-7.44,-1.15,;-7.44,.38,;-8.77,1.15,;-6.1,1.15,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-2.1,1.93,;-.77,2.69,;.56,1.93,;.56,.38,;1.9,2.69,;3.23,1.93,;3.23,.38,;4.56,2.69,;4.56,4.23,;5.9,1.93,;7.23,2.69,;8.77,2.69,;8,4.03,;-3.44,2.69,;-4.77,1.93,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CCOCC1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.89,1.39,;1.18,2.9,;.02,3.91,;-1.43,3.41,;-1.73,1.89,;-3.18,1.39,;-4.34,2.4,;-4.05,3.91,;-2.6,4.41,;-5.51,3.41,;-6.96,2.9,;-8.13,3.91,;-7.25,1.39,;-6.09,.38,;-4.64,.89,;-3.47,-.12,;-2.02,.38,;-.85,-.63,;-1.14,-2.14,;-2.6,-2.64,;-3.76,-1.63,;-5.22,-2.14,;.02,-3.15,;-.27,-4.66,;.89,-5.67,;2.35,-5.16,;2.64,-3.65,;1.48,-2.64,;2.64,3.41,;3.8,2.4,;3.51,.89,;5.26,2.9,;5.71,4.37,;7.25,4.4,;8.13,5.67,;7.75,2.95,;6.52,2.02,)|
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C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cnn(C)c1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cnn(c1)C(F)(F)F |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1C)N1CCOCC1 |r,wU:13.16,10.9,7.7,c:21,(8,2.85,;6.67,2.09,;5.34,2.86,;5.34,4.4,;4,2.1,;4,.56,;2.67,2.87,;1.33,2.1,;1.33,.56,;0,2.88,;-1.33,2.11,;-1.34,.57,;-2.67,-.19,;-4.01,.58,;-4,2.12,;-2.67,2.89,;-5.34,1.35,;-6.67,.59,;-8,1.36,;-6.68,-.95,;-5.35,-1.73,;-4.01,-.96,;-2.68,-1.73,;-1.14,-1.73,;-.37,-3.07,;-1.14,-4.4,;-2.68,-4.4,;-3.45,-3.07,;-4.99,-3.07,;1.17,-3.07,;1.94,-4.4,;3.48,-4.4,;4.25,-3.07,;3.48,-1.73,;1.94,-1.73,)|
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COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)NCc2ccccn2)CC1 |r,wU:15.15,18.20,20.22,t:10,(1.32,-3.83,;-.02,-4.6,;-1.35,-3.83,;-2.69,-4.61,;-4.02,-3.83,;-5.36,-4.6,;-4.01,-2.29,;-2.69,-1.52,;-1.35,-2.29,;-5.34,-1.52,;-6.68,-2.29,;-8.01,-1.51,;-8.01,.03,;-9.34,.8,;-6.67,.79,;-5.34,.02,;-4.01,-.75,;-2.67,.01,;-2.67,1.55,;-1.33,2.32,;,1.54,;-0,0,;1.34,2.31,;2.67,1.54,;2.66,-0,;4,2.3,;5.33,1.53,;6.67,2.3,;8.01,1.54,;9.34,2.3,;9.34,3.84,;8.01,4.61,;6.67,3.84,;-4,2.33,;-5.33,1.56,)|
COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)OCc2ccccc2)CC1 |r,wU:15.15,18.20,20.22,t:10,(1.32,-3.83,;-.02,-4.6,;-1.35,-3.83,;-2.69,-4.61,;-4.02,-3.83,;-5.36,-4.6,;-4.01,-2.29,;-2.69,-1.52,;-1.35,-2.29,;-5.34,-1.52,;-6.68,-2.29,;-8.01,-1.51,;-8.01,.03,;-9.34,.8,;-6.67,.79,;-5.34,.02,;-4.01,-.75,;-2.67,.01,;-2.67,1.55,;-1.33,2.32,;,1.54,;-0,0,;1.34,2.31,;2.67,1.54,;2.66,-0,;4,2.3,;5.33,1.53,;6.67,2.3,;8.01,1.54,;9.34,2.3,;9.34,3.84,;8.01,4.61,;6.67,3.84,;-4,2.33,;-5.33,1.56,)|
COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)CC#N)CC1 |r,wU:15.15,18.20,20.22,t:10,(2.65,-2.69,;1.32,-3.46,;-.02,-2.69,;-1.35,-3.47,;-2.68,-2.69,;-4.02,-3.46,;-2.68,-1.15,;-1.35,-.38,;-.02,-1.15,;-4.01,-.38,;-5.35,-1.14,;-6.68,-.37,;-6.67,1.17,;-8,1.94,;-5.34,1.94,;-4,1.16,;-2.67,.39,;-1.34,1.15,;-1.33,2.69,;0,3.46,;1.33,2.69,;1.33,1.15,;2.67,3.45,;4,2.68,;4,1.14,;5.34,3.44,;6.67,2.67,;8,1.9,;-2.66,3.47,;-4,2.7,)|
COc1cc(C)c(cn1)C1=NNC(=O)O[C@@]11CC[C@H](C[C@H](C)NC(=O)N2CCc3ncccc3C2)CC1 |r,wU:15.15,18.20,20.22,t:10,(1.32,-3.83,;-.02,-4.61,;-1.35,-3.84,;-2.69,-4.61,;-4.02,-3.84,;-5.36,-4.6,;-4.01,-2.3,;-2.69,-1.52,;-1.35,-2.3,;-5.34,-1.52,;-6.68,-2.29,;-8.01,-1.52,;-8.01,.02,;-9.34,.8,;-6.67,.79,;-5.34,.02,;-4.01,-.76,;-2.67,.01,;-2.67,1.55,;-1.33,2.31,;,1.54,;-0,0,;1.34,2.31,;2.67,1.53,;2.66,-.01,;4,2.3,;4,3.84,;5.33,4.61,;6.67,3.84,;8,4.61,;9.34,3.84,;9.34,2.3,;8,1.53,;6.67,2.3,;5.33,1.53,;-4,2.32,;-5.33,1.56,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1Cl)C1CC1 |r,wU:13.16,10.9,7.7,c:21,(8,3.35,;6.67,2.57,;5.34,3.35,;5.34,4.89,;4,2.58,;4,1.04,;2.67,3.36,;1.33,2.59,;1.33,1.05,;0,3.36,;-1.33,2.6,;-1.34,1.06,;-2.67,.29,;-4.01,1.07,;-4,2.61,;-2.67,3.37,;-5.34,1.84,;-6.67,1.07,;-8,1.85,;-6.68,-.47,;-5.35,-1.24,;-4.01,-.47,;-2.68,-1.25,;-1.36,-.47,;-.02,-1.25,;-.02,-2.79,;-1.36,-3.56,;-2.69,-2.79,;-4.02,-3.55,;1.32,-3.56,;2.09,-4.89,;2.86,-3.56,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1Cl)C1CC1)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(1.44,.19,;1.45,1.73,;.12,2.51,;-1.22,1.74,;-1.22,.2,;-2.56,-.56,;-3.89,.21,;-3.89,1.75,;-2.55,2.52,;-5.22,.98,;-6.56,.22,;-7.89,.99,;-6.56,-1.32,;-5.23,-2.1,;-3.9,-1.33,;-2.56,-2.1,;-1.24,-1.33,;.1,-2.1,;.1,-3.64,;-1.24,-4.42,;-2.57,-3.64,;-3.91,-4.41,;1.43,-4.41,;2.2,-5.74,;2.97,-4.41,;2.78,2.5,;4.12,1.73,;4.11,.19,;5.45,2.49,;5.62,4.02,;7.12,4.34,;7.75,5.74,;7.89,3,;6.86,1.86,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1C[C@H]2C[C@@H]1CO2 |r,wU:13.16,10.9,7.7,33.35,31.34,c:21,(8.04,3.33,;6.62,2.72,;5.39,3.65,;5.57,5.18,;3.97,3.05,;3.78,1.52,;2.74,3.98,;1.32,3.38,;1.13,1.85,;.09,4.3,;-1.32,3.7,;-1.51,2.17,;-2.93,1.57,;-4.16,2.5,;-3.97,4.03,;-2.55,4.63,;-5.39,3.43,;-6.81,2.83,;-8.04,3.76,;-7,1.3,;-5.77,.37,;-4.35,.97,;-3.12,.05,;-1.71,.66,;-.48,-.27,;-.66,-1.8,;-2.08,-2.41,;-3.31,-1.48,;-4.73,-2.08,;.57,-2.73,;1.99,-2.12,;3.22,-3.05,;1.93,-4.25,;.39,-4.25,;1.62,-5.18,;3.03,-4.57,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1C[C@@H]2C[C@H]1CO2 |r,wU:13.16,10.9,7.7,wD:33.35,31.34,c:21,(8.04,3.33,;6.62,2.72,;5.39,3.65,;5.57,5.18,;3.97,3.05,;3.78,1.52,;2.74,3.98,;1.32,3.38,;1.13,1.85,;.09,4.3,;-1.32,3.7,;-1.51,2.17,;-2.93,1.57,;-4.16,2.5,;-3.97,4.03,;-2.55,4.63,;-5.39,3.43,;-6.81,2.83,;-8.04,3.76,;-7,1.3,;-5.77,.37,;-4.35,.97,;-3.12,.05,;-1.71,.66,;-.48,-.27,;-.66,-1.8,;-2.08,-2.41,;-3.31,-1.48,;-4.73,-2.08,;.57,-2.73,;1.99,-2.12,;3.22,-3.05,;1.93,-4.25,;.39,-4.25,;1.62,-5.18,;3.03,-4.57,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cnc(cc1C)N1CC2CCC(C1)O2 |r,wU:13.16,10.9,7.7,c:21,(8.04,3.44,;6.62,2.83,;5.39,3.76,;5.57,5.29,;3.97,3.16,;3.78,1.63,;2.74,4.09,;1.32,3.49,;1.13,1.96,;.09,4.41,;-1.32,3.81,;-1.51,2.29,;-2.93,1.69,;-4.16,2.61,;-3.97,4.14,;-2.55,4.74,;-5.39,3.54,;-6.81,2.94,;-8.04,3.87,;-7,1.41,;-5.77,.48,;-4.35,1.09,;-3.12,.16,;-1.71,.77,;-.48,-.16,;-.66,-1.69,;-2.08,-2.3,;-3.31,-1.37,;-4.73,-1.97,;.57,-2.61,;.3,-4.13,;1.31,-5.29,;2.85,-5.29,;3.75,-4.04,;3.34,-2.61,;1.92,-2.01,;2.12,-3.85,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)N1CCn2nccc2C1 |r,wU:6.9,3.2,1.0,c:14,(-.09,.78,;.1,2.31,;-1.13,3.24,;-2.55,2.64,;-2.74,1.11,;-4.15,.51,;-5.38,1.44,;-5.19,2.97,;-3.78,3.57,;-6.61,2.37,;-8.03,1.77,;-9.26,2.7,;-8.22,.24,;-6.99,-.69,;-5.57,-.09,;-4.34,-1.02,;-2.94,-.4,;-1.7,-1.34,;-1.89,-2.86,;-3.31,-3.47,;-4.53,-2.54,;-5.95,-3.14,;-.65,-3.79,;.62,-4.71,;1.52,2.91,;2.75,1.99,;2.56,.46,;4.17,2.59,;4.35,4.11,;5.77,4.71,;7,3.79,;8.51,4.08,;9.26,2.73,;8.21,1.61,;6.81,2.26,;5.39,1.66,)|
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C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)C(F)Cl |r,wU:6.9,3.2,1.0,c:14,(1.99,.39,;2,1.93,;.68,2.72,;-.66,1.96,;-.68,.42,;-2.02,-.34,;-3.34,.44,;-3.33,1.98,;-1.99,2.74,;-4.67,1.22,;-6.01,.46,;-7.34,1.24,;-6.02,-1.08,;-4.7,-1.86,;-3.36,-1.1,;-2.03,-1.88,;-.7,-1.11,;.63,-1.9,;.62,-3.44,;1.95,-4.21,;-.72,-4.2,;-2.04,-3.42,;-3.39,-4.18,;3.34,2.69,;4.67,1.91,;4.66,.37,;6.01,2.67,;6.02,4.21,;7.34,1.89,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)\C=C\CN(C)C |r,wU:6.9,3.2,1.0,c:14,(-.01,1.13,;0,2.67,;-1.32,3.45,;-2.66,2.69,;-2.68,1.15,;-4.02,.39,;-5.34,1.18,;-5.33,2.72,;-3.99,3.47,;-6.67,1.96,;-8.01,1.2,;-9.34,1.98,;-8.02,-.34,;-6.7,-1.12,;-5.36,-.36,;-4.03,-1.15,;-2.7,-.38,;-1.37,-1.16,;-1.38,-2.7,;-.05,-3.47,;-2.72,-3.47,;-4.05,-2.68,;-5.39,-3.44,;1.34,3.43,;2.67,2.65,;2.66,1.11,;4.01,3.41,;5.34,2.63,;6.67,3.4,;8.01,2.63,;9.34,3.4,;8.01,1.09,)|
CNC(=O)C(=O)N[C@@H](C)CN1CC[C@]2(C[C@@H]1C)OC(=O)NN=C2c1ccc(cc1Cl)C#N |r,c:22|
C[C@@H](CN1CC[C@]2(C[C@@H]1C)OC(=O)NN=C2c1ccc(cc1Cl)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:15|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)N1CCC2(CC2)C1 |r,wU:6.9,3.2,1.0,c:14,(.7,.23,;.7,1.77,;-.63,2.54,;-1.96,1.77,;-1.96,.23,;-3.3,-.54,;-4.63,.23,;-4.63,1.77,;-3.3,2.54,;-5.96,1,;-7.3,.23,;-8.63,1,;-7.3,-1.31,;-5.96,-2.08,;-4.63,-1.31,;-3.3,-2.08,;-1.98,-1.3,;-.64,-2.07,;-.63,-3.61,;.71,-4.38,;-1.97,-4.39,;-3.3,-3.62,;-4.63,-4.39,;2.04,2.54,;3.37,1.77,;3.37,.23,;4.71,2.54,;4.87,4.07,;6.37,4.39,;7.14,3.06,;8.23,1.97,;8.63,3.46,;6.11,1.91,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)N1CCOC2(CC2)C1 |r,wU:6.9,3.2,1.0,c:14,(.56,0,;.56,1.54,;-.77,2.31,;-2.1,1.54,;-2.1,0,;-3.44,-.77,;-4.77,0,;-4.77,1.54,;-3.44,2.31,;-6.1,.77,;-7.44,0,;-8.77,.77,;-7.44,-1.54,;-6.11,-2.31,;-4.77,-1.54,;-3.44,-2.31,;-2.12,-1.53,;-.78,-2.3,;-.77,-3.84,;.56,-4.61,;-2.11,-4.62,;-3.44,-3.85,;-4.78,-4.62,;1.9,2.31,;3.23,1.54,;3.23,0,;4.56,2.31,;4.56,3.85,;5.9,4.62,;7.23,3.85,;7.23,2.31,;8,.98,;8.77,2.31,;5.9,1.54,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)N1CCC2(CC2)C1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)CC1CC[C@]2(C[C@@H]1F)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:22|
C[C@@H](CC1CC[C@]2(C[C@@H]1F)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,c:15|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1C)C#N |r,wU:13.16,10.9,7.7,c:21,(8.02,1.68,;6.58,1.14,;5.39,2.12,;5.64,3.64,;3.95,1.57,;3.7,.05,;2.76,2.55,;1.32,2.01,;1.06,.49,;.13,2.99,;-1.32,2.44,;-1.57,.92,;-3.01,.38,;-4.2,1.36,;-3.95,2.88,;-2.51,3.42,;-5.39,2.34,;-6.83,1.79,;-8.02,2.77,;-7.08,.27,;-5.89,-.7,;-4.45,-.16,;-3.26,-1.14,;-1.83,-.58,;-.63,-1.56,;-.88,-3.08,;-2.32,-3.64,;-3.51,-2.66,;-4.95,-3.2,;.81,-1.02,;2.29,-.41,)|
C[C@H](NC(=O)c1cc(C)n[nH]1)[C@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:25|
CNC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:22|
C[C@H](NC(=O)c1cc(C)n[nH]1)[C@@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:25|
CNC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:22|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.15,.25,;.54,1.74,;-.54,2.83,;-2.03,2.43,;-2.43,.94,;-3.92,.54,;-5.01,1.63,;-4.61,3.12,;-3.12,3.52,;-6.1,2.72,;-7.58,2.32,;-8.67,3.41,;-7.98,.84,;-6.89,-.25,;-5.41,.15,;-4.32,-.94,;-2.83,-.54,;-1.74,-1.63,;-2.14,-3.12,;-3.63,-3.52,;-4.72,-2.43,;-6.2,-2.83,;-.25,-1.23,;1.23,-.84,;2.03,2.14,;3.12,1.05,;2.72,-.44,;4.61,1.45,;5.01,2.94,;5.7,.36,;7.18,.76,;8.67,.36,;8.27,1.85,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1ncon1 |r,wU:6.9,3.2,1.0,c:14,(.93,.25,;1.33,1.74,;.24,2.83,;-1.25,2.43,;-1.64,.94,;-3.13,.54,;-4.22,1.63,;-3.82,3.12,;-2.33,3.52,;-5.31,2.72,;-6.8,2.32,;-7.89,3.41,;-7.2,.84,;-6.11,-.25,;-4.62,.15,;-3.53,-.94,;-2.04,-.54,;-.95,-1.63,;-1.35,-3.12,;-2.84,-3.52,;-3.93,-2.43,;-5.42,-2.83,;.53,-1.23,;2.02,-.84,;2.82,2.14,;3.91,1.05,;3.51,-.44,;5.39,1.45,;6.64,.54,;7.89,1.45,;7.41,2.91,;5.87,2.91,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,.9,;6.44,.51,;5.35,1.59,;5.75,3.08,;3.86,1.2,;3.47,-.29,;2.78,2.28,;1.29,1.89,;.89,.4,;.2,2.98,;-1.29,2.58,;-1.69,1.09,;-3.17,.69,;-4.26,1.78,;-3.86,3.27,;-2.38,3.67,;-5.35,2.87,;-6.84,2.47,;-7.93,3.56,;-7.24,.98,;-6.15,-.11,;-4.66,.29,;-3.57,-.8,;-2.09,-.4,;-1,-1.49,;.49,-1.09,;1.58,-2.18,;3.07,-1.78,;1.18,-3.67,;2.67,-3.27,;-1.39,-2.98,;-2.88,-3.37,;-3.97,-2.28,;-5.46,-2.68,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.15,.4,;.54,1.89,;-.54,2.98,;-2.03,2.58,;-2.43,1.09,;-3.92,.69,;-5.01,1.78,;-4.61,3.27,;-3.12,3.67,;-6.1,2.87,;-7.58,2.47,;-8.67,3.56,;-7.98,.98,;-6.89,-.11,;-5.41,.29,;-4.32,-.8,;-2.83,-.4,;-1.74,-1.49,;-.25,-1.09,;.84,-2.18,;2.32,-1.78,;.44,-3.67,;1.93,-3.27,;-2.14,-2.98,;-3.63,-3.37,;-4.72,-2.28,;-6.2,-2.68,;2.03,2.28,;3.12,1.2,;2.72,-.29,;4.61,1.59,;5.01,3.08,;5.7,.51,;7.18,.9,;8.67,.51,;8.27,1.99,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)(F)F)ccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.93,1.65,;6.44,1.25,;5.35,2.34,;5.75,3.83,;3.86,1.94,;3.47,.45,;2.78,3.03,;1.29,2.63,;.89,1.14,;.2,3.72,;-1.29,3.32,;-1.69,1.83,;-3.17,1.43,;-4.26,2.52,;-3.86,4.01,;-2.38,4.41,;-5.35,3.61,;-6.84,3.21,;-7.93,4.3,;-7.24,1.73,;-6.15,.64,;-4.66,1.04,;-3.57,-.05,;-2.09,.35,;-1,-.74,;.49,-.35,;1.58,-1.43,;1.18,-2.92,;2.27,-4.01,;-.31,-3.32,;.78,-4.41,;-1.39,-2.23,;-2.88,-2.63,;-3.97,-1.54,;-5.46,-1.94,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)(F)F)ccc1Br)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.15,1.14,;.54,2.63,;-.54,3.72,;-2.03,3.32,;-2.43,1.83,;-3.92,1.43,;-5.01,2.52,;-4.61,4.01,;-3.12,4.41,;-6.1,3.61,;-7.58,3.21,;-8.67,4.3,;-7.98,1.73,;-6.89,.64,;-5.41,1.04,;-4.32,-.05,;-2.83,.35,;-1.74,-.74,;-.25,-.35,;.84,-1.43,;.44,-2.92,;1.53,-4.01,;-1.05,-3.32,;.04,-4.41,;-2.14,-2.23,;-3.63,-2.63,;-4.72,-1.54,;-6.2,-1.94,;2.03,3.03,;3.12,1.94,;2.72,.45,;4.61,2.34,;5.01,3.83,;5.7,1.25,;7.18,1.65,;8.67,1.25,;8.27,2.74,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)(F)F)ccc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(.2,1.14,;.6,2.63,;-.49,3.72,;-1.98,3.32,;-2.38,1.83,;-3.86,1.43,;-4.95,2.52,;-4.55,4.01,;-3.07,4.41,;-6.04,3.61,;-7.53,3.21,;-8.62,4.3,;-7.93,1.73,;-6.84,.64,;-5.35,1.04,;-4.26,-.05,;-2.78,.35,;-1.69,-.74,;-.2,-.35,;.89,-1.43,;.49,-2.92,;1.58,-4.01,;-1,-3.32,;.09,-4.41,;-2.09,-2.23,;-3.57,-2.63,;-4.66,-1.54,;-6.15,-1.94,;2.09,3.03,;3.17,1.94,;2.78,.45,;4.66,2.34,;5.91,1.43,;7.15,2.34,;8.62,1.86,;6.68,3.8,;5.14,3.8,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)NC(C)(C)C |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,;1.33,-1.15,;,-.38,;2.67,-1.93,;4,-1.15,;5.33,-.38,;4.4,-2.64,;5.49,-1.55,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cc(F)c[nH]1 |r,c:14|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(-.27,-.67,;.5,.67,;-.27,2,;-1.81,2,;-2.58,.67,;-4.12,.67,;-4.89,2,;-4.12,3.33,;-2.58,3.33,;-5.66,3.33,;-7.2,3.33,;-7.97,4.67,;-7.97,2,;-7.2,.67,;-5.66,.67,;-4.89,-.67,;-3.35,-.67,;-2.58,-2,;-1.04,-2,;-.27,-3.33,;1.27,-3.33,;-1.04,-4.67,;.5,-2,;-3.35,-3.33,;-4.89,-3.33,;-5.66,-2,;-7.2,-2,;2.04,.67,;2.81,2,;2.04,3.33,;4.35,2,;5.26,.75,;6.72,1.23,;6.72,2.77,;7.97,3.68,;5.26,3.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(-.27,-.67,;.5,.67,;-.27,2,;-1.81,2,;-2.58,.67,;-4.12,.67,;-4.89,2,;-4.12,3.33,;-2.58,3.33,;-5.66,3.33,;-7.2,3.33,;-7.97,4.67,;-7.97,2,;-7.2,.67,;-5.66,.67,;-4.89,-.67,;-3.35,-.67,;-2.58,-2,;-1.04,-2,;-.27,-3.33,;1.27,-3.33,;-1.04,-4.67,;.5,-2,;-3.35,-3.33,;-4.89,-3.33,;-5.66,-2,;-7.2,-2,;2.04,.67,;2.81,2,;2.04,3.33,;4.35,2,;5.26,.75,;6.72,1.23,;7.97,.33,;6.72,2.77,;5.26,3.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)(F)F)ccc1Br)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(-.27,-.67,;.5,.67,;-.27,2,;-1.81,2,;-2.58,.67,;-4.12,.67,;-4.89,2,;-4.12,3.33,;-2.58,3.33,;-5.66,3.33,;-7.2,3.33,;-7.97,4.67,;-7.97,2,;-7.2,.67,;-5.66,.67,;-4.89,-.67,;-3.35,-.67,;-2.58,-2,;-1.04,-2,;-.27,-3.33,;1.27,-3.33,;2.04,-4.67,;2.04,-2,;2.81,-3.33,;-3.35,-3.33,;-4.89,-3.33,;-5.66,-2,;-7.2,-2,;2.04,.67,;2.81,2,;2.04,3.33,;4.35,2,;5.26,.75,;6.72,1.23,;6.72,2.77,;7.97,3.68,;5.26,3.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br |r,wU:13.16,10.9,7.7,c:21,(7.31,-.67,;5.78,-.67,;5,.67,;5.78,2,;3.47,.67,;2.69,-.67,;2.69,2,;1.15,2,;.38,.67,;.38,3.33,;-1.15,3.33,;-1.93,2,;-3.47,2,;-4.23,3.33,;-3.47,4.67,;-1.93,4.67,;-5,4.67,;-6.54,4.67,;-7.31,6,;-7.31,3.33,;-6.54,2,;-5,2,;-4.23,.67,;-2.69,.67,;-1.93,-.67,;-2.69,-2,;-4.23,-2,;-5,-3.33,;-4.23,-4.67,;-5,-6,;-2.69,-4.67,;-5,-.67,;-6.54,-.67,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(-.27,.67,;.5,2,;-.27,3.33,;-1.81,3.33,;-2.58,2,;-4.12,2,;-4.89,3.33,;-4.12,4.67,;-2.58,4.67,;-5.66,4.67,;-7.2,4.67,;-7.97,6,;-7.97,3.33,;-7.2,2,;-5.66,2,;-4.89,.67,;-3.35,.67,;-2.58,-.67,;-3.35,-2,;-4.89,-2,;-5.66,-3.33,;-4.89,-4.67,;-5.66,-6,;-3.35,-4.67,;-5.66,-.67,;-7.2,-.67,;2.04,2,;2.81,.67,;2.04,-.67,;4.35,.67,;5.26,-.58,;6.72,-.1,;7.97,-1.01,;6.72,1.44,;5.26,1.91,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(-.28,.67,;.49,2,;-.28,3.33,;-1.82,3.33,;-2.59,2,;-4.13,2,;-4.9,3.33,;-4.13,4.67,;-2.59,4.67,;-5.67,4.67,;-7.21,4.67,;-7.98,6,;-7.98,3.33,;-7.21,2,;-5.67,2,;-4.9,.67,;-3.36,.67,;-2.59,-.67,;-3.36,-2,;-4.9,-2,;-5.67,-3.33,;-4.9,-4.67,;-5.67,-6,;-3.36,-4.67,;-5.67,-.67,;-7.21,-.67,;2.03,2,;2.8,.67,;2.03,-.67,;4.34,.67,;5.11,2,;5.11,-.67,;6.65,-.67,;7.98,-1.44,;7.98,.1,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(-.27,.67,;.5,2,;-.27,3.33,;-1.81,3.33,;-2.58,2,;-4.12,2,;-4.89,3.33,;-4.12,4.67,;-2.58,4.67,;-5.66,4.67,;-7.2,4.67,;-7.97,6,;-7.97,3.33,;-7.2,2,;-5.66,2,;-4.89,.67,;-3.35,.67,;-2.58,-.67,;-3.35,-2,;-4.89,-2,;-5.66,-3.33,;-4.89,-4.67,;-5.66,-6,;-3.35,-4.67,;-5.66,-.67,;-7.2,-.67,;2.04,2,;2.81,.67,;2.04,-.67,;4.35,.67,;5.26,-.58,;6.72,-.1,;6.72,1.44,;7.97,2.34,;5.26,1.91,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(F)CC[C@@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:14.17,10.9,7.7,wD:10.10,c:22,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,3.47,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,;1.33,-1.15,;2.67,-.38,)|
C[C@@H](C[C@]1(F)CC[C@@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cc(C)n[nH]1 |r,wU:7.10,3.2,1.0,wD:3.3,c:15,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,2.61,;-2.55,1.84,;-3.89,1.07,;-3.89,-.47,;-2.55,-1.24,;-1.22,-.47,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;1.45,-2.01,;2.78,-1.24,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Cl)ccc1Cl)NC(=O)c1cc2ccccn2n1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;.29,-1.98,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;5.7,1.25,;6.73,2.39,;8.27,2.39,;9.04,3.72,;8.27,5.06,;6.73,5.06,;5.96,3.72,;4.46,3.4,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Cl)ccc1Cl |r,wU:13.16,10.9,7.7,c:21,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(C#N)c1Br |r,wU:13.16,10.9,7.7,c:21,(7.31,-1.33,;5.78,-1.33,;5,,;5.78,1.33,;3.47,,;2.69,-1.33,;2.69,1.33,;1.15,1.33,;.38,,;.38,2.67,;-1.15,2.67,;-1.93,1.33,;-3.47,1.33,;-4.23,2.67,;-3.47,4,;-1.93,4,;-5,4,;-6.54,4,;-7.31,5.33,;-7.31,2.67,;-6.54,1.33,;-5,1.33,;-4.23,,;-2.69,,;-1.93,-1.33,;-2.69,-2.67,;-4.23,-2.67,;-5,-4,;-5.78,-5.33,;-5,-1.33,;-6.54,-1.33,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(C#N)c1Br)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(-.28,,;.49,1.33,;-.28,2.67,;-1.82,2.67,;-2.59,1.33,;-4.13,1.33,;-4.9,2.67,;-4.13,4,;-2.59,4,;-5.67,4,;-7.21,4,;-7.98,5.33,;-7.98,2.67,;-7.21,1.33,;-5.67,1.33,;-4.9,,;-3.36,,;-2.59,-1.33,;-3.36,-2.67,;-4.9,-2.67,;-5.67,-4,;-6.44,-5.33,;-5.67,-1.33,;-7.21,-1.33,;2.03,1.33,;2.8,,;2.03,-1.33,;4.34,,;5.11,1.33,;5.11,-1.33,;6.65,-1.33,;7.98,-2.1,;7.98,-.56,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(C#N)c1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:6.9,3.2,1.0,c:14,(-.27,,;.5,1.33,;-.27,2.67,;-1.81,2.67,;-2.58,1.33,;-4.12,1.33,;-4.89,2.67,;-4.12,4,;-2.58,4,;-5.66,4,;-7.2,4,;-7.97,5.33,;-7.97,2.67,;-7.2,1.33,;-5.66,1.33,;-4.89,,;-3.35,,;-2.58,-1.33,;-3.35,-2.67,;-4.89,-2.67,;-5.66,-4,;-6.43,-5.33,;-5.66,-1.33,;-7.2,-1.33,;2.04,1.33,;2.81,,;2.04,-1.33,;4.35,,;5.26,-1.25,;6.72,-.77,;7.97,-1.68,;6.72,.77,;5.26,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cccc(C#N)c1Br)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(-.27,,;.5,1.33,;-.27,2.67,;-1.81,2.67,;-2.58,1.33,;-4.12,1.33,;-4.89,2.67,;-4.12,4,;-2.58,4,;-5.66,4,;-7.2,4,;-7.97,5.33,;-7.97,2.67,;-7.2,1.33,;-5.66,1.33,;-4.89,,;-3.35,,;-2.58,-1.33,;-3.35,-2.67,;-4.89,-2.67,;-5.66,-4,;-6.43,-5.33,;-5.66,-1.33,;-7.2,-1.33,;2.04,1.33,;2.81,,;2.04,-1.33,;4.35,,;5.26,-1.25,;6.72,-.77,;6.72,.77,;7.97,1.68,;5.26,1.25,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(O)CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:14.17,7.7,10.10,wD:10.9,c:22,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,3.47,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@]1(O)CC[C@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:7.10,1.0,3.3,wD:3.2,c:15,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,2.61,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;1.45,-5.09,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(O)CC[C@@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,wU:14.17,10.9,7.7,wD:10.10,c:22,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;-1.33,1.93,;-1.33,3.47,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;1.33,-4.23,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,)|
C[C@@H](C[C@]1(O)CC[C@@]2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,wU:7.10,3.2,1.0,wD:3.3,c:15,(1.45,-.47,;1.45,1.07,;.11,1.84,;-1.22,1.07,;-1.22,2.61,;-2.55,1.84,;-3.89,1.07,;-3.89,-.47,;-2.55,-1.24,;-1.22,-.47,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;1.45,-5.09,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;5.61,3.37,;7.12,3.69,;7.74,5.09,;7.89,2.35,;6.86,1.21,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Cl)ccc1Cl)NC(=O)c1cc2ccccn2c1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;.29,-1.98,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;5.7,1.25,;6.73,2.39,;8.27,2.39,;9.04,3.72,;8.27,5.06,;6.73,5.06,;5.96,3.72,;4.46,3.4,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Cl)ccc1Cl)NC(=O)c1cn2ccccc2n1 |r,wU:6.9,3.2,1.0,c:14,(.29,-.44,;.29,1.1,;-1.04,1.87,;-2.37,1.1,;-2.37,-.44,;-3.71,-1.21,;-5.04,-.44,;-5.04,1.1,;-3.71,1.87,;-6.37,.33,;-7.71,-.44,;-9.04,.33,;-7.71,-1.98,;-6.37,-2.75,;-5.04,-1.98,;-3.71,-2.75,;-2.37,-1.98,;-1.04,-2.75,;.29,-1.98,;-1.04,-4.29,;-2.37,-5.06,;-3.71,-4.29,;-5.04,-5.06,;1.63,1.87,;2.96,1.1,;2.96,-.44,;4.29,1.87,;4.46,3.4,;5.96,3.72,;6.73,5.06,;8.27,5.06,;9.04,3.72,;8.27,2.39,;6.73,2.39,;5.7,1.25,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(.83,-.09,;1.15,1.42,;0,2.45,;-1.46,1.98,;-1.78,.47,;-3.25,-0,;-4.39,1.03,;-4.07,2.53,;-2.61,3.01,;-5.54,2.06,;-7,1.58,;-8.14,2.62,;-7.32,.08,;-6.18,-.95,;-4.71,-.48,;-3.57,-1.51,;-2.1,-1.03,;-.96,-2.07,;-1.28,-3.57,;-2.75,-4.05,;-3.89,-3.02,;-5.36,-3.49,;.5,-1.59,;1.97,-1.12,;2.61,1.9,;3.76,.86,;3.43,-.64,;5.22,1.34,;6.47,.43,;7.71,1.34,;7.24,2.8,;8.14,4.05,;5.7,2.8,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1C(F)(F)F)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1C(F)(F)F)C#N |r,c:21|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(Br)cc1C(F)(F)F |r,c:21|
CNC(=O)C(=O)NC[C@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,c:21|
CNC(=O)C(=O)NC[C@@H](C)N1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(Br)cc1C(F)(F)F)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@H](CNC(=O)c1cc(C)n[nH]1)N1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,c:24|
C[C@@H](CNC(=O)c1cc(C)n[nH]1)N1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N |r,c:24|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cnn(C)c1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C(N)=O)NC(=O)c1cnn(C)c1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)[C@H](C)[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:14.17,11.16,7.7,9.9,c:22,(8,2.69,;6.67,1.93,;5.33,2.69,;5.33,4.23,;4,1.93,;4,.38,;2.67,2.69,;1.33,1.93,;1.33,.38,;,2.69,;,4.23,;-1.33,1.93,;-1.33,.38,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.7,;-5.33,1.16,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;,-3.47,;-1.33,-4.23,;-2.67,-3.47,;-4,-4.23,;1.33,-1.15,;2.67,-.38,)|
C[C@H](NC(=O)c1cnn(C)c1)[C@H](C)[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:16.20,13.19,11.12,1.0,c:25,(1.45,-.47,;1.45,1.07,;2.78,1.84,;4.12,1.07,;4.12,-.47,;5.45,1.84,;6.86,1.21,;7.89,2.35,;7.12,3.69,;7.74,5.09,;5.61,3.37,;.11,1.84,;.11,3.38,;-1.22,1.07,;-1.22,-.47,;-2.55,-1.24,;-3.89,-.47,;-3.89,1.07,;-2.55,1.84,;-5.22,.3,;-6.55,-.47,;-7.89,.3,;-6.55,-2.01,;-5.22,-2.78,;-3.89,-2.01,;-2.55,-2.78,;-1.22,-2.01,;.11,-2.78,;.11,-4.32,;-1.22,-5.09,;-2.55,-4.32,;-3.89,-5.09,;1.45,-2.01,;2.78,-1.24,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C[C@@H](O)C(F)(F)F |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)\C=C\C(F)(F)F |r,c:14|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(C#N)c(F)cc1Br |r,c:21|
CNC(=O)C(=O)N[C@@H](C)CN1CC2CC1CC21OC(=O)NN=C1c1ccc(F)cc1Br |r,c:23|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Cl)C#N |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Cl)C#N)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)NC(C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Cl)C#N |c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Cl)C#N)NC(=O)[C@H](O)C(F)(F)F |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C(C#N)N1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:23|
CNC(=O)C(=O)N[C@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br |r,c:21|
C[C@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(F)cc1Br)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ncccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.96,1.04,;6.49,.6,;5.37,1.66,;5.73,3.16,;3.89,1.23,;3.53,-.27,;2.77,2.28,;1.3,1.85,;.94,.35,;.18,2.9,;-1.3,2.47,;-1.66,.97,;-3.13,.53,;-4.25,1.59,;-3.89,3.09,;-2.42,3.53,;-5.37,2.65,;-6.84,2.21,;-7.96,3.27,;-7.2,.71,;-6.08,-.35,;-4.61,.09,;-3.49,-.97,;-2.01,-.53,;-.9,-1.59,;-1.25,-3.09,;-2.73,-3.53,;-3.85,-2.47,;-5.32,-2.9,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(C)(C)O)ccc1Br |r,wU:13.16,10.9,7.7,c:21,(7.95,1.59,;6.47,1.16,;5.36,2.23,;5.73,3.72,;3.88,1.81,;3.51,.31,;2.77,2.88,;1.29,2.45,;.92,.96,;.19,3.52,;-1.29,3.1,;-1.67,1.6,;-3.15,1.18,;-4.25,2.25,;-3.88,3.74,;-2.4,4.16,;-5.36,3.32,;-6.84,2.89,;-7.95,3.96,;-7.22,1.4,;-6.11,.33,;-4.63,.75,;-3.52,-.32,;-2.04,.11,;-.93,-.96,;.55,-.54,;1.66,-1.61,;1.29,-3.1,;-.19,-3.54,;2.4,-4.16,;2.76,-2.67,;-1.3,-2.46,;-2.78,-2.88,;-3.89,-1.81,;-5.37,-2.24,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(Br)c(F)cc1Cl |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(Br)c(F)cc1Cl)NC(=O)c1cc(C)n[nH]1 |r,c:14|
CNC(=O)C(=O)N[C@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)C(F)(F)F |r,c:20|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1c(F)cccc1Br |r,c:21|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1SC(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(7.94,1.79,;6.45,1.38,;5.36,2.46,;5.74,3.95,;3.87,2.05,;3.49,.56,;2.78,3.13,;1.29,2.72,;.9,1.23,;.19,3.8,;-1.29,3.39,;-1.68,1.9,;-3.16,1.49,;-4.26,2.57,;-3.87,4.06,;-2.39,4.47,;-5.36,3.65,;-6.84,3.24,;-7.94,4.32,;-7.23,1.75,;-6.13,.67,;-4.65,1.08,;-3.55,,;-2.07,.41,;-.97,-.67,;-1.36,-2.16,;-2.84,-2.57,;-3.94,-1.49,;-5.42,-1.9,;-5.81,-3.39,;-7.29,-3.8,;-4.71,-4.47,;-4.32,-2.99,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1SC(F)(F)F)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(.68,.95,;1.06,2.44,;-.03,3.52,;-1.52,3.11,;-1.91,1.62,;-3.39,1.21,;-4.49,2.29,;-4.1,3.78,;-2.62,4.19,;-5.59,3.37,;-7.07,2.95,;-8.17,4.03,;-7.46,1.46,;-6.36,.38,;-4.87,.79,;-3.78,-.29,;-2.29,.13,;-1.19,-.95,;-1.58,-2.45,;-3.06,-2.86,;-4.16,-1.78,;-5.65,-2.19,;-6.03,-3.68,;-7.52,-4.09,;-4.94,-4.76,;-4.55,-3.28,;2.55,2.85,;3.65,1.77,;3.26,.28,;5.13,2.18,;6.33,1.22,;7.62,2.07,;7.21,3.55,;8.17,4.76,;5.67,3.62,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ccccc1SC(F)(F)F |r,c:21|
[#6]-[#6@@H](-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#8]-[#6](=O)-[#7]-[#7]=[#6]2-c1cc(ccc1Br)C#N)-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6] |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)CCC(F)(F)F |r,c:14|
COC(=O)\C=C\C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,c:23|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CO1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,c:21|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(C)(C)O |r,wU:13.16,10.9,7.7,c:21,(7.94,1.03,;6.46,.62,;5.36,1.69,;5.74,3.19,;3.87,1.28,;3.49,-.21,;2.78,2.36,;1.29,1.95,;.91,.46,;.19,3.03,;-1.29,2.62,;-1.68,1.13,;-3.16,.72,;-4.26,1.79,;-3.87,3.29,;-2.39,3.7,;-5.36,2.87,;-6.84,2.46,;-7.94,3.54,;-7.23,.97,;-6.13,-.11,;-4.64,.3,;-3.87,-1.03,;-2.33,-1.03,;-1.56,-2.36,;-2.33,-3.7,;-3.87,-3.7,;-4.64,-2.36,;-6.18,-2.36,;-.02,-2.36,;1.46,-1.97,;.75,-3.7,;-.02,-.82,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(C)(C)O)NC(=O)c1cnn(C)c1 |r,wU:6.9,3.2,1.0,c:14,(.74,.11,;1.12,1.6,;.02,2.68,;-1.46,2.26,;-1.85,.77,;-3.33,.36,;-4.43,1.44,;-4.04,2.93,;-2.56,3.34,;-5.53,2.52,;-7.01,2.11,;-8.11,3.19,;-7.4,.62,;-6.3,-.46,;-4.81,-.05,;-4.04,-1.38,;-2.5,-1.38,;-1.73,-2.72,;-2.5,-4.05,;-4.04,-4.05,;-4.81,-2.72,;-6.35,-2.72,;-.19,-2.72,;1.29,-2.32,;.58,-4.05,;-.19,-1.18,;2.61,2.01,;3.7,.93,;3.32,-.56,;5.19,1.34,;6.43,.44,;7.68,1.34,;7.2,2.81,;8.11,4.05,;5.66,2.81,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1ncccc1Br |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1ccccc1C(F)(F)F |r,c:14|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cccc(F)c1Br |r,c:21|
CC(CN1CCC2(CC1)OC(=O)NN=C2c1cccc(F)c1Br)NC(=O)c1cc(C)n[nH]1 |c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)OC |r,wU:13.16,10.9,7.7,c:21,(7.94,1.03,;6.46,.62,;5.36,1.69,;5.74,3.19,;3.87,1.28,;3.49,-.21,;2.78,2.36,;1.29,1.95,;.91,.46,;.19,3.03,;-1.29,2.62,;-1.68,1.13,;-3.16,.72,;-4.26,1.79,;-3.87,3.29,;-2.39,3.7,;-5.36,2.87,;-6.84,2.46,;-7.94,3.54,;-7.23,.97,;-6.13,-.11,;-4.64,.3,;-3.87,-1.03,;-2.33,-1.03,;-1.56,-2.36,;-2.33,-3.7,;-3.87,-3.7,;-4.64,-2.36,;-6.18,-2.36,;-.02,-2.36,;.75,-1.03,;.75,-3.7,;2.29,-3.7,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)OC |r,c:21|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(C)(C)O |r,c:21|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)NC |r,wU:13.16,10.9,7.7,c:21,(7.94,1.03,;6.46,.62,;5.36,1.69,;5.74,3.19,;3.87,1.28,;3.49,-.21,;2.78,2.36,;1.29,1.95,;.91,.46,;.19,3.03,;-1.29,2.62,;-1.68,1.13,;-3.16,.72,;-4.26,1.79,;-3.87,3.29,;-2.39,3.7,;-5.36,2.87,;-6.84,2.46,;-7.94,3.54,;-7.23,.97,;-6.13,-.11,;-4.64,.3,;-3.87,-1.03,;-2.33,-1.03,;-1.56,-2.36,;-2.33,-3.7,;-3.87,-3.7,;-4.64,-2.36,;-6.18,-2.36,;-.02,-2.36,;.75,-1.03,;.75,-3.7,;2.29,-3.7,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)N(C)C |r,wU:13.16,10.9,7.7,c:21,(7.94,1.69,;6.46,1.28,;5.36,2.36,;5.74,3.85,;3.87,1.95,;3.49,.46,;2.78,3.03,;1.29,2.62,;.91,1.13,;.19,3.7,;-1.29,3.28,;-1.68,1.79,;-3.16,1.38,;-4.26,2.46,;-3.87,3.95,;-2.39,4.36,;-5.36,3.54,;-6.84,3.13,;-7.94,4.21,;-7.23,1.64,;-6.13,.56,;-4.64,.97,;-3.87,-.36,;-2.33,-.36,;-1.56,-1.7,;-2.33,-3.03,;-3.87,-3.03,;-4.64,-1.7,;-6.18,-1.7,;-.02,-1.7,;.75,-.36,;.75,-3.03,;2.29,-3.03,;-.02,-4.36,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)NC |r,c:21|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)N(C)C |r,c:21|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cccn2nccc12 |r,c:21|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)C#N |r,wU:13.16,10.9,7.7,wD:10.33,c:21,(7.94,-.1,;6.46,-.51,;5.36,.57,;5.74,2.06,;3.87,.16,;3.49,-1.33,;2.78,1.24,;1.29,.82,;.91,-.67,;.19,1.9,;-1.29,1.49,;-1.68,0,;-3.16,-.41,;-4.26,.67,;-3.87,2.16,;-2.39,2.57,;-5.36,1.75,;-6.84,1.34,;-7.94,2.42,;-7.23,-.15,;-6.13,-1.23,;-4.64,-.82,;-3.55,-1.9,;-2.06,-1.49,;-.96,-2.57,;-1.35,-4.06,;-2.83,-4.47,;-3.93,-3.39,;-5.42,-3.8,;.52,-2.16,;2,-1.75,;-.91,2.98,;-.51,4.47,)|
CNC(=O)\C=C\C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,c:23|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)\C=C\C(=O)ON1C(=O)CCC1=O |r,c:14|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cn(C)nc1I |r,c:21|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(Cl)ccc1I |r,wU:13.16,10.9,7.7,c:21,(7.94,.85,;6.46,.44,;5.36,1.52,;5.74,3.01,;3.87,1.11,;3.49,-.38,;2.78,2.19,;1.29,1.77,;.91,.28,;.19,2.85,;-1.29,2.44,;-1.68,.95,;-3.16,.54,;-4.26,1.62,;-3.87,3.11,;-2.39,3.52,;-5.36,2.7,;-6.84,2.29,;-7.94,3.37,;-7.23,.8,;-6.13,-.28,;-4.65,.13,;-3.55,-.95,;-2.06,-.54,;-.96,-1.62,;.52,-1.21,;-1.35,-3.11,;-2.83,-3.52,;-3.93,-2.44,;-5.42,-2.85,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(C)(C)O)NC(=O)C(=O)NC1CC1 |r,wU:6.9,3.2,1.0,c:14,(.16,.46,;.55,1.95,;-.55,3.03,;-2.04,2.62,;-2.42,1.13,;-3.91,.72,;-5,1.79,;-4.62,3.29,;-3.14,3.7,;-6.1,2.87,;-7.59,2.46,;-8.69,3.54,;-7.97,.97,;-6.87,-.11,;-5.39,.3,;-4.62,-1.03,;-3.08,-1.03,;-2.31,-2.36,;-3.08,-3.7,;-4.62,-3.7,;-5.39,-2.36,;-6.93,-2.36,;-.77,-2.36,;.56,-1.59,;,-3.7,;-.77,-.82,;2.03,2.36,;3.13,1.28,;2.74,-.21,;4.61,1.69,;5,3.19,;5.71,.62,;7.19,1.03,;8.69,.64,;8.27,2.13,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cn(C)nc1I)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,c:14,(.74,-.24,;1.12,1.25,;.02,2.33,;-1.46,1.92,;-1.85,.43,;-3.33,.02,;-4.43,1.1,;-4.04,2.59,;-2.56,3,;-5.53,2.18,;-7.01,1.77,;-8.11,2.85,;-7.4,.27,;-6.3,-.8,;-4.81,-.39,;-3.72,-1.47,;-2.2,-1.22,;-1.49,-2.58,;.04,-2.81,;-2.57,-3.68,;-3.94,-3,;-5.31,-3.71,;2.61,1.66,;3.7,.58,;3.32,-.91,;5.19,1,;5.66,2.46,;7.2,2.46,;8.11,3.71,;7.68,1,;6.43,.09,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)\C=C/C(O)=O |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C1CCCO1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C1COCCO1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC)c(F)cc1Br |r,wU:13.16,10.9,7.7,c:21,(7.94,1.18,;6.46,.77,;5.36,1.85,;5.74,3.34,;3.87,1.44,;3.49,-.05,;2.78,2.52,;1.29,2.11,;.91,.62,;.19,3.19,;-1.29,2.78,;-1.68,1.29,;-3.16,.87,;-4.26,1.95,;-3.87,3.44,;-2.39,3.86,;-5.36,3.03,;-6.84,2.62,;-7.94,3.7,;-7.23,1.13,;-6.13,.05,;-4.65,.46,;-3.55,-.62,;-2.06,-.21,;-.96,-1.29,;.52,-.87,;1.61,-1.96,;-1.35,-2.78,;-.25,-3.86,;-2.83,-3.19,;-3.93,-2.11,;-5.42,-2.52,)|
CNC(=O)C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F |r,c:21|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)NC(=O)c1cc(C)n[nH]1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cncn1C |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cn(C)cn1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N |r,wU:13.16,10.9,7.7,wD:10.35,c:21,(7.94,.03,;6.46,-.38,;5.36,.7,;5.74,2.19,;3.87,.29,;3.49,-1.2,;2.78,1.37,;1.29,.96,;.91,-.53,;.19,2.04,;-1.29,1.63,;-1.68,.13,;-3.16,-.28,;-4.26,.8,;-3.87,2.29,;-2.39,2.71,;-5.36,1.88,;-6.84,1.47,;-7.94,2.55,;-7.23,-.02,;-6.13,-1.1,;-4.64,-.69,;-3.55,-1.77,;-2.06,-1.36,;-.96,-2.44,;.52,-2.02,;1.61,-3.11,;3.1,-2.71,;1.21,-4.6,;-1.35,-3.93,;-2.83,-4.34,;-3.93,-3.26,;-5.42,-3.67,;-.89,3.11,;-.49,4.6,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)N1CCC(F)(F)C1 |r,wU:13.16,10.9,7.7,c:21,(7.94,2.53,;6.46,2.12,;5.36,3.2,;5.74,4.69,;3.87,2.78,;3.49,1.29,;2.78,3.86,;1.29,3.45,;.91,1.96,;.19,4.53,;-1.29,4.12,;-1.68,2.63,;-3.16,2.22,;-4.26,3.3,;-3.87,4.79,;-2.39,5.2,;-5.36,4.37,;-6.84,3.96,;-7.94,5.04,;-7.23,2.47,;-6.13,1.39,;-4.64,1.8,;-3.87,.47,;-2.33,.47,;-1.56,-.86,;-2.33,-2.2,;-3.87,-2.2,;-4.64,-.86,;-6.18,-.86,;-.02,-.86,;.75,.47,;.75,-2.2,;.12,-3.6,;1.26,-4.63,;2.6,-3.86,;4.14,-3.86,;3.37,-5.2,;2.28,-2.36,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(=O)N1CC(F)(F)C1 |r,wU:13.16,10.9,7.7,c:21,(7.94,2.74,;6.46,2.33,;5.36,3.41,;5.74,4.9,;3.87,3,;3.49,1.51,;2.78,4.08,;1.29,3.66,;.91,2.17,;.19,4.74,;-1.29,4.33,;-1.68,2.84,;-3.16,2.43,;-4.26,3.51,;-3.87,5,;-2.39,5.41,;-5.36,4.59,;-6.84,4.18,;-7.94,5.25,;-7.23,2.68,;-6.13,1.6,;-4.64,2.02,;-3.87,.68,;-2.33,.68,;-1.56,-.65,;-2.33,-1.98,;-3.87,-1.98,;-4.64,-.65,;-6.18,-.65,;-.02,-.65,;.75,.68,;.75,-1.98,;.35,-3.47,;1.83,-3.87,;1.83,-5.41,;3.17,-4.64,;2.23,-2.38,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cn(CC(F)F)nc1I |r,wU:13.16,10.9,7.7,c:21,(7.94,1.45,;6.46,1.04,;5.36,2.12,;5.74,3.61,;3.87,1.71,;3.49,.22,;2.78,2.79,;1.29,2.38,;.91,.89,;.19,3.46,;-1.29,3.05,;-1.68,1.56,;-3.16,1.14,;-4.26,2.22,;-3.87,3.71,;-2.39,4.13,;-5.36,3.3,;-6.84,2.89,;-7.94,3.97,;-7.23,1.4,;-6.13,.32,;-4.64,.73,;-3.55,-.35,;-2.03,-.09,;-1.32,-1.46,;.22,-1.46,;.99,-2.79,;2.53,-2.79,;.22,-4.13,;-2.4,-2.56,;-3.77,-1.87,;-5.14,-2.58,)|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cncn1C |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cn(C)cn1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(Cl)no1 |r,c:14|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(C)no1 |r,c:14|
CNC(=O)\C=C/C(=O)N[C@@H](C)CN1CCC2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,c:23|
C[C@@H](CN1CCC2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,c:14|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)C#N |r,wU:13.16,10.9,7.7,wD:10.33,c:21,(7.99,1.12,;6.52,.64,;5.38,1.67,;5.7,3.18,;3.91,1.2,;3.59,-.3,;2.77,2.23,;1.3,1.76,;.98,.25,;.16,2.79,;-1.3,2.32,;-1.63,.81,;-3.09,.34,;-4.23,1.37,;-3.91,2.88,;-2.45,3.35,;-5.38,2.41,;-6.84,1.93,;-7.99,2.97,;-7.17,.43,;-6.02,-.61,;-4.56,-.13,;-3.42,-1.16,;-1.95,-.69,;-.81,-1.72,;-1.13,-3.23,;-2.6,-3.7,;-3.74,-2.67,;-5.2,-3.14,;.01,-4.26,;1.16,-5.29,;-.91,3.81,;-.51,5.29,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C(F)(F)F)C#N |r,wU:13.16,10.9,7.7,wD:10.35,c:21,(7.99,.53,;6.52,.06,;5.38,1.09,;5.7,2.6,;3.91,.62,;3.59,-.89,;2.77,1.65,;1.3,1.18,;.98,-.33,;.16,2.21,;-1.3,1.74,;-1.63,.23,;-3.09,-.24,;-4.23,.79,;-3.91,2.3,;-2.45,2.77,;-5.38,1.82,;-6.84,1.35,;-7.99,2.38,;-7.17,-.15,;-6.02,-1.19,;-4.56,-.71,;-3.79,-2.05,;-2.25,-2.04,;-1.48,-3.38,;-2.24,-4.71,;-3.78,-4.71,;-4.56,-3.38,;-6.1,-3.38,;.06,-3.38,;.84,-4.71,;.83,-2.04,;1.6,-3.38,;-.91,3.23,;-.51,4.71,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1ccc(OC(F)F)cc1Br)C#N |r,wU:13.16,10.9,7.7,wD:10.35,c:21,(7.99,.94,;6.52,.47,;5.38,1.5,;5.7,3.01,;3.91,1.03,;3.59,-.48,;2.77,2.06,;1.3,1.59,;.98,.08,;.16,2.62,;-1.3,2.15,;-1.63,.64,;-3.09,.17,;-4.23,1.2,;-3.91,2.71,;-2.45,3.18,;-5.38,2.23,;-6.84,1.76,;-7.99,2.79,;-7.17,.26,;-6.02,-.78,;-4.56,-.3,;-3.42,-1.34,;-1.95,-.86,;-.81,-1.9,;-1.13,-3.4,;.01,-4.43,;1.5,-4.03,;2.59,-5.12,;1.9,-2.55,;-2.6,-3.87,;-3.74,-2.84,;-5.2,-3.32,;-.91,3.64,;-.51,5.12,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)C#N)NC(=O)c1cc(Cl)no1 |r,wU:6.9,3.2,1.0,wD:3.26,c:14,(.82,-.55,;1.15,.96,;0,1.99,;-1.46,1.51,;-1.79,.01,;-3.25,-.46,;-4.39,.57,;-4.07,2.07,;-2.61,2.55,;-5.54,1.6,;-7,1.13,;-8.14,2.16,;-7.32,-.38,;-6.18,-1.41,;-4.72,-.94,;-3.57,-1.97,;-2.11,-1.5,;-.97,-2.53,;-1.29,-4.03,;-2.75,-4.51,;-3.9,-3.48,;-5.36,-3.95,;.5,-2.06,;1.99,-1.66,;-1.14,3.02,;-.74,4.51,;2.61,1.43,;3.75,.4,;3.43,-1.11,;5.22,.87,;5.7,2.33,;7.24,2.33,;8.14,3.58,;7.71,.87,;6.46,-.04,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cc(n[nH]1)C1CC1 |r,wU:6.9,3.2,1.0,c:14,(.12,-.85,;.44,.66,;-.7,1.69,;-2.17,1.22,;-2.49,-.29,;-3.96,-.76,;-5.1,.27,;-4.77,1.78,;-3.31,2.25,;-6.24,1.3,;-7.71,.83,;-8.85,1.86,;-8.03,-.68,;-6.89,-1.71,;-5.42,-1.24,;-4.28,-2.27,;-2.81,-1.8,;-1.67,-2.83,;-1.99,-4.33,;-3.46,-4.81,;-4.6,-3.77,;-6.07,-4.25,;-.2,-2.35,;1.28,-1.96,;1.91,1.13,;3.05,.1,;2.73,-1.41,;4.51,.57,;4.99,2.03,;6.53,2.03,;7.01,.57,;5.76,-.34,;7.44,3.28,;8.85,3.9,;7.6,4.81,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1ccn(C)n1 |r,wU:6.9,3.2,1.0,c:14,(.82,-.08,;1.15,1.42,;0,2.45,;-1.46,1.98,;-1.79,.48,;-3.25,0,;-4.39,1.03,;-4.07,2.54,;-2.61,3.01,;-5.54,2.07,;-7,1.59,;-8.14,2.63,;-7.32,.09,;-6.18,-.94,;-4.72,-.47,;-3.57,-1.5,;-2.11,-1.03,;-.97,-2.06,;-1.29,-3.57,;-2.75,-4.04,;-3.9,-3.01,;-5.36,-3.48,;.5,-1.59,;1.99,-1.19,;2.61,1.9,;3.75,.86,;3.43,-.64,;5.22,1.34,;6.46,.43,;7.71,1.33,;7.24,2.8,;8.14,4.04,;5.7,2.8,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)c1cn(C)cn1 |r,wU:6.9,3.2,1.0,c:14,(.82,-.08,;1.15,1.42,;0,2.45,;-1.46,1.98,;-1.79,.48,;-3.25,0,;-4.39,1.03,;-4.07,2.54,;-2.61,3.01,;-5.54,2.07,;-7,1.59,;-8.14,2.63,;-7.32,.09,;-6.18,-.94,;-4.72,-.47,;-3.57,-1.5,;-2.11,-1.03,;-.97,-2.06,;-1.29,-3.57,;-2.75,-4.04,;-3.9,-3.01,;-5.36,-3.48,;.5,-1.59,;1.99,-1.19,;2.61,1.9,;3.75,.86,;3.43,-.64,;5.22,1.34,;5.7,2.8,;7.24,2.8,;8.14,4.04,;7.71,1.33,;6.46,.43,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)NC(=O)c1cc(n[nH]1)C1CC1 |r,wU:6.9,3.2,1.0,c:14,(.12,-.03,;.44,1.48,;-.7,2.51,;-2.17,2.04,;-2.49,.53,;-3.96,.06,;-5.1,1.09,;-4.77,2.6,;-3.31,3.07,;-6.24,2.13,;-7.71,1.65,;-8.85,2.69,;-8.03,.15,;-6.89,-.89,;-5.42,-.41,;-4.28,-1.44,;-2.81,-.97,;-1.67,-2,;-1.99,-3.51,;-3.46,-3.98,;-4.6,-2.95,;-6.07,-3.42,;-.85,-4.54,;.24,-5.63,;1.91,1.95,;3.05,.92,;2.73,-.58,;4.51,1.39,;4.99,2.86,;6.53,2.86,;7.01,1.39,;5.76,.49,;7.44,4.1,;8.85,4.72,;7.6,5.63,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:13.16,10.9,7.7,c:21,(7.24,1.29,;5.78,.82,;4.63,1.85,;4.96,3.36,;3.17,1.38,;2.85,-.13,;2.03,2.41,;.56,1.94,;.24,.43,;-.58,2.97,;-2.05,2.5,;-2.37,.99,;-3.84,.52,;-4.98,1.55,;-4.66,3.05,;-3.19,3.53,;-6.12,2.58,;-7.59,2.11,;-8.73,3.14,;-7.91,.6,;-6.77,-.43,;-5.3,.04,;-4.16,-.99,;-2.69,-.52,;-1.55,-1.55,;-1.87,-3.05,;-3.34,-3.53,;-4.48,-2.5,;-5.95,-2.97,;-.09,-1.08,;1.4,-.68,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC)ncc1Br |r,wU:13.16,10.9,7.7,c:21,(7.99,1.29,;6.52,.82,;5.38,1.85,;5.7,3.36,;3.91,1.38,;3.59,-.13,;2.77,2.41,;1.3,1.94,;.98,.43,;.16,2.97,;-1.3,2.5,;-1.63,.99,;-3.09,.52,;-4.23,1.55,;-3.91,3.05,;-2.45,3.53,;-5.38,2.58,;-6.84,2.11,;-7.99,3.14,;-7.17,.6,;-6.02,-.43,;-4.56,.04,;-3.42,-.99,;-1.95,-.52,;-.81,-1.55,;.66,-1.08,;1.75,-2.16,;-1.13,-3.05,;-2.6,-3.53,;-3.74,-2.5,;-5.2,-2.97,)|
CNC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ncc1Br)C(F)(F)F |r,wU:13.16,10.9,7.7,c:21,(7.99,1.52,;6.52,1.05,;5.38,2.08,;5.7,3.59,;3.91,1.61,;3.59,.1,;2.77,2.64,;1.3,2.17,;.98,.66,;.16,3.2,;-1.3,2.73,;-1.63,1.22,;-3.09,.75,;-4.23,1.78,;-3.91,3.29,;-2.45,3.76,;-5.38,2.81,;-6.84,2.34,;-7.99,3.37,;-7.17,.83,;-6.02,-.2,;-4.56,.27,;-3.8,-1.06,;-2.26,-1.07,;-1.49,-2.41,;-2.27,-3.74,;-3.81,-3.73,;-4.57,-2.39,;-6.11,-2.39,;.05,-2.42,;.82,-1.09,;.81,-3.76,;1.59,-2.42,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)C#N |r,wU:13.16,10.9,7.7,wD:10.35,c:21,(7.99,1.59,;6.52,1.12,;5.38,2.15,;5.7,3.65,;3.91,1.67,;3.59,.17,;2.77,2.71,;1.3,2.23,;.98,.73,;.16,3.27,;-1.3,2.79,;-1.63,1.29,;-3.09,.81,;-4.23,1.85,;-3.91,3.35,;-2.45,3.83,;-5.38,2.88,;-6.84,2.41,;-7.99,3.44,;-7.17,.9,;-6.02,-.13,;-4.56,.34,;-3.42,-.69,;-1.95,-.22,;-.81,-1.25,;-1.13,-2.76,;-2.6,-3.23,;-3.74,-2.2,;-5.2,-2.67,;-2.92,-4.74,;-1.78,-5.77,;-1.43,-4.34,;-4.41,-5.13,;-.91,4.28,;-.51,5.77,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC)ncc1Br)C#N |r,wU:13.16,10.9,7.7,wD:10.33,c:21,(7.99,.32,;6.52,-.15,;5.38,.88,;5.7,2.38,;3.91,.41,;3.59,-1.1,;2.77,1.44,;1.3,.96,;.98,-.54,;.16,2,;-1.3,1.52,;-1.63,.02,;-3.09,-.46,;-4.23,.58,;-3.91,2.08,;-2.45,2.56,;-5.38,1.61,;-6.84,1.14,;-7.99,2.17,;-7.17,-.37,;-6.02,-1.4,;-4.56,-.93,;-3.42,-1.96,;-1.95,-1.49,;-.81,-2.52,;.66,-2.05,;1.75,-3.14,;-1.13,-4.03,;-2.6,-4.5,;-3.74,-3.47,;-5.2,-3.94,;-.91,3.01,;-.51,4.5,)|
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CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)F)ncc1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.36,c:21,(7.93,.62,;6.44,.23,;5.35,1.31,;5.75,2.8,;3.86,.92,;3.46,-.57,;2.77,2,;1.31,1.54,;.96,.04,;.19,2.59,;-1.28,2.14,;-1.51,.62,;-2.95,.06,;-4.15,1.02,;-3.92,2.54,;-2.48,3.1,;-5.34,2,;-6.78,1.46,;-7.93,2.49,;-7.04,-.06,;-5.85,-1.04,;-4.4,-.5,;-3.21,-1.47,;-1.77,-.91,;-.57,-1.87,;.91,-1.45,;2.01,-2.53,;1.63,-4.02,;2.73,-5.1,;.15,-4.44,;-.8,-3.39,;-2.24,-3.95,;-3.44,-2.99,;-4.85,-3.61,;-.85,3.62,;-.42,5.1,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(F)ccc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.25,c:14,(.22,-.54,;.56,.96,;-.55,2.02,;-2.03,1.57,;-2.26,.05,;-3.69,-.51,;-4.89,.45,;-4.66,1.97,;-3.23,2.53,;-6.08,1.43,;-7.53,.89,;-8.67,1.92,;-7.78,-.63,;-6.59,-1.61,;-5.15,-1.07,;-3.95,-2.04,;-2.52,-1.48,;-1.31,-2.44,;.17,-2.03,;-1.55,-3.96,;-2.98,-4.53,;-4.18,-3.56,;-5.59,-4.18,;-1.6,3.05,;-1.16,4.53,;2.03,1.43,;3.12,.34,;2.72,-1.15,;4.61,.74,;5.01,2.23,;5.7,-.35,;7.18,.05,;8.67,-.35,;8.27,1.14,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)F)ncc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.29,c:14,(.22,.04,;.56,1.54,;-.55,2.59,;-2.03,2.14,;-2.26,.62,;-3.69,.06,;-4.89,1.02,;-4.66,2.54,;-3.23,3.1,;-6.08,2,;-7.53,1.46,;-8.67,2.49,;-7.78,-.06,;-6.59,-1.04,;-5.15,-.5,;-3.95,-1.47,;-2.52,-.91,;-1.31,-1.87,;.17,-1.45,;1.27,-2.53,;.89,-4.02,;1.99,-5.1,;-.59,-4.44,;-1.55,-3.39,;-2.98,-3.95,;-4.18,-2.99,;-5.59,-3.61,;-1.6,3.62,;-1.16,5.1,;2.03,2,;3.12,.92,;2.72,-.57,;4.61,1.31,;5.01,2.8,;5.7,.23,;7.18,.62,;8.67,.23,;8.27,1.71,)|
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C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)c(F)cc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.29,c:14,(.22,-.34,;.56,1.16,;-.55,2.22,;-2.03,1.77,;-2.26,.25,;-3.69,-.31,;-4.89,.65,;-4.66,2.17,;-3.23,2.73,;-6.08,1.63,;-7.53,1.09,;-8.67,2.12,;-7.78,-.43,;-6.59,-1.41,;-5.15,-.87,;-3.95,-1.84,;-2.52,-1.28,;-1.31,-2.24,;.17,-1.83,;1.27,-2.9,;2.75,-2.49,;.89,-4.39,;-1.55,-3.76,;-.34,-4.73,;-2.98,-4.32,;-4.18,-3.36,;-5.59,-3.98,;-1.6,3.25,;-1.16,4.73,;2.03,1.63,;3.12,.54,;2.72,-.94,;4.61,.94,;5.01,2.43,;5.7,-.15,;7.18,.25,;8.67,-.15,;8.27,1.34,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N)NC(=O)C(=O)NCC(F)F |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(-.33,-.5,;.02,1,;-1.1,2.06,;-2.57,1.6,;-2.8,.08,;-4.24,-.48,;-5.44,.48,;-5.21,2.01,;-3.77,2.57,;-6.63,1.46,;-8.07,.92,;-9.22,1.95,;-8.32,-.6,;-7.13,-1.58,;-5.69,-1.04,;-4.5,-2.01,;-3.06,-1.44,;-1.86,-2.41,;-.38,-1.99,;.73,-3.07,;2.21,-2.65,;.34,-4.56,;-2.09,-3.93,;-3.52,-4.49,;-4.73,-3.53,;-6.14,-4.15,;-2.14,3.08,;-1.71,4.56,;1.49,1.47,;2.57,.38,;2.18,-1.11,;4.06,.78,;4.46,2.26,;5.15,-.31,;6.64,.09,;7.73,-1,;9.22,-.6,;7.33,-2.49,)|
CONC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N |r,wU:11.10,14.17,8.8,wD:11.36,c:22,(8.47,-1,;7.38,.09,;5.9,-.31,;4.81,.78,;5.2,2.26,;3.32,.38,;2.92,-1.11,;2.23,1.47,;.76,1,;.42,-.5,;-.36,2.06,;-1.83,1.6,;-2.06,.08,;-3.49,-.48,;-4.7,.48,;-4.46,2.01,;-3.03,2.57,;-5.89,1.46,;-7.33,.92,;-8.47,1.95,;-7.58,-.6,;-6.39,-1.58,;-4.95,-1.04,;-3.75,-2.01,;-2.32,-1.44,;-1.11,-2.41,;.37,-1.99,;1.47,-3.07,;2.95,-2.65,;1.09,-4.56,;-1.35,-3.93,;-2.78,-4.49,;-3.98,-3.53,;-5.39,-4.15,;-1.4,3.08,;-.96,4.56,)|
COc1cc(C2=NNC(=O)O[C@@]22CC[C@](C[C@H](C)NC(=O)C(=O)NCC(F)F)(CC2)C#N)c(Br)cn1 |r,wU:14.15,11.10,16.17,wD:14.31,t:5,(.73,-3.1,;-.38,-2.03,;-1.86,-2.44,;-3.06,-1.48,;-4.5,-2.04,;-5.69,-1.07,;-7.13,-1.61,;-8.32,-.63,;-8.07,.89,;-9.22,1.92,;-6.63,1.43,;-5.44,.45,;-4.24,-.51,;-2.8,.05,;-2.57,1.57,;-1.1,2.02,;.02,.96,;-.33,-.54,;1.49,1.43,;2.57,.34,;2.18,-1.15,;4.06,.74,;4.46,2.23,;5.15,-.35,;6.64,.05,;7.73,-1.04,;9.22,-.64,;7.33,-2.53,;-3.77,2.53,;-5.21,1.97,;-2.14,3.05,;-1.71,4.53,;-4.73,-3.56,;-6.14,-4.18,;-3.52,-4.53,;-2.09,-3.96,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(.22,-.5,;.56,1,;-.55,2.06,;-2.03,1.6,;-2.26,.08,;-3.69,-.48,;-4.89,.48,;-4.66,2.01,;-3.23,2.57,;-6.08,1.46,;-7.53,.92,;-8.67,1.95,;-7.78,-.6,;-6.59,-1.58,;-5.15,-1.04,;-3.95,-2.01,;-2.52,-1.44,;-1.31,-2.41,;.17,-1.99,;1.27,-3.07,;2.75,-2.65,;.89,-4.56,;-1.55,-3.93,;-2.98,-4.49,;-4.18,-3.53,;-5.59,-4.15,;-1.6,3.08,;-1.16,4.56,;2.03,1.47,;3.12,.38,;2.72,-1.11,;4.61,.78,;5.01,2.26,;5.7,-.31,;7.18,.09,;8.67,-.31,;8.27,1.17,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N)NC(=O)C(N)=O |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(1.71,-.5,;2.05,1,;.93,2.06,;-.54,1.6,;-.77,.08,;-2.2,-.48,;-3.41,.48,;-3.18,2.01,;-1.74,2.57,;-4.6,1.46,;-6.04,.92,;-7.18,1.95,;-6.29,-.6,;-5.1,-1.58,;-3.66,-1.04,;-2.46,-2.01,;-1.03,-1.44,;.17,-2.41,;1.66,-1.99,;2.76,-3.07,;4.24,-2.65,;2.38,-4.56,;-.06,-3.93,;-1.49,-4.49,;-2.7,-3.53,;-4.1,-4.15,;-.11,3.08,;.32,4.56,;3.52,1.47,;4.61,.38,;4.21,-1.11,;6.09,.78,;7.18,-.31,;6.49,2.26,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.35,c:21,(7.93,2.05,;6.44,1.66,;5.35,2.74,;5.75,4.23,;3.86,2.35,;3.46,.86,;2.77,3.43,;1.31,2.97,;.96,1.46,;.19,4.02,;-1.28,3.57,;-1.51,2.05,;-2.95,1.49,;-4.15,2.45,;-3.92,3.97,;-2.48,4.53,;-5.34,3.43,;-6.78,2.89,;-7.93,3.92,;-7.04,1.37,;-5.85,.39,;-4.4,.93,;-3.21,-.04,;-1.77,.52,;-.57,-.44,;-.8,-1.96,;-2.24,-2.52,;-2.47,-4.04,;-1.27,-5.01,;-1.5,-6.53,;.17,-4.45,;-3.44,-1.56,;-4.85,-2.18,;-.85,5.05,;-.42,6.53,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(.22,1.46,;.56,2.97,;-.55,4.02,;-2.03,3.57,;-2.26,2.05,;-3.69,1.49,;-4.89,2.45,;-4.66,3.97,;-3.23,4.53,;-6.08,3.43,;-7.53,2.89,;-8.67,3.92,;-7.78,1.37,;-6.59,.39,;-5.15,.93,;-3.95,-.04,;-2.52,.52,;-1.31,-.44,;-1.55,-1.96,;-2.98,-2.52,;-3.21,-4.04,;-2.01,-5.01,;-2.24,-6.53,;-.57,-4.45,;-4.18,-1.56,;-5.59,-2.18,;-1.6,5.05,;-1.16,6.53,;2.03,3.43,;3.12,2.35,;2.72,.86,;4.61,2.74,;5.01,4.23,;5.7,1.66,;7.18,2.05,;8.67,1.66,;8.27,3.14,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)C#N)NC(=O)C(=O)NCC(F)F |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(-.33,1.46,;.02,2.97,;-1.1,4.02,;-2.57,3.57,;-2.8,2.05,;-4.24,1.49,;-5.44,2.45,;-5.21,3.97,;-3.77,4.53,;-6.63,3.43,;-8.07,2.89,;-9.22,3.92,;-8.32,1.37,;-7.13,.39,;-5.69,.93,;-4.5,-.04,;-3.06,.52,;-1.86,-.44,;-2.09,-1.96,;-3.52,-2.52,;-3.76,-4.04,;-2.55,-5.01,;-2.79,-6.53,;-1.12,-4.45,;-4.73,-1.56,;-6.14,-2.18,;-2.14,5.05,;-1.71,6.53,;1.49,3.43,;2.57,2.35,;2.18,.86,;4.06,2.74,;4.46,4.23,;5.15,1.66,;6.64,2.05,;7.73,.97,;9.22,1.36,;7.33,-.52,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)N(C)N=C2c1cc(ccc1Br)C#N)C#N |r,wU:10.9,13.16,7.7,wD:10.34,c:22,(8.2,.05,;6.71,-.35,;5.63,.74,;6.02,2.23,;4.14,.34,;3.74,-1.15,;3.05,1.43,;1.58,.96,;1.24,-.54,;.46,2.02,;-1.01,1.57,;-1.24,.05,;-2.67,-.51,;-3.88,.45,;-3.64,1.97,;-2.21,2.53,;-5.07,1.43,;-6.51,.89,;-7.65,1.92,;-6.76,-.63,;-8.2,-1.17,;-5.57,-1.61,;-4.13,-1.07,;-2.93,-2.04,;-1.5,-1.48,;-.3,-2.44,;-.53,-3.96,;-1.96,-4.53,;-3.16,-3.56,;-4.57,-4.18,;1.14,-1.88,;2.63,-1.48,;-.58,3.05,;-.15,4.53,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.35,c:21,(7.18,.05,;5.7,-.35,;4.61,.74,;5.01,2.23,;3.12,.34,;2.72,-1.15,;2.03,1.43,;.56,.96,;.22,-.54,;-.55,2.02,;-2.03,1.57,;-2.26,.05,;-3.69,-.51,;-4.89,.45,;-4.66,1.97,;-3.23,2.53,;-6.08,1.43,;-7.53,.89,;-8.67,1.92,;-7.78,-.63,;-6.59,-1.61,;-5.15,-1.07,;-3.95,-2.04,;-2.52,-1.48,;-1.31,-2.44,;.12,-1.88,;1.32,-2.84,;2.76,-2.28,;1.09,-4.37,;-1.55,-3.96,;-2.98,-4.53,;-4.18,-3.56,;-5.59,-4.18,;-1.6,3.05,;-1.16,4.53,)|
CONC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)C#N |r,wU:11.10,14.17,8.8,wD:11.36,c:22,(8.47,.47,;7.38,1.56,;5.9,1.16,;4.81,2.25,;5.2,3.73,;3.32,1.85,;2.92,.36,;2.23,2.94,;.76,2.47,;.42,.97,;-.36,3.53,;-1.83,3.07,;-2.06,1.55,;-3.49,.99,;-4.7,1.95,;-4.46,3.47,;-3.03,4.04,;-5.89,2.93,;-7.33,2.39,;-8.47,3.42,;-7.58,.87,;-6.39,-.11,;-4.95,.43,;-3.75,-.54,;-2.32,.02,;-1.11,-.94,;-1.35,-2.46,;-2.78,-3.02,;-3.98,-2.06,;-5.39,-2.68,;-3.01,-4.54,;-1.81,-5.5,;-4.45,-5.1,;-3.41,-6.03,;-1.4,4.55,;-.96,6.03,)|
CONC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(OC(F)F)c1Br)C#N |r,wU:11.10,14.17,8.8,wD:11.36,c:22,(8.47,.97,;7.38,2.05,;5.9,1.66,;4.81,2.74,;5.2,4.23,;3.32,2.35,;2.92,.86,;2.23,3.43,;.76,2.97,;.42,1.46,;-.36,4.02,;-1.83,3.57,;-2.06,2.05,;-3.49,1.49,;-4.7,2.45,;-4.46,3.97,;-3.03,4.53,;-5.89,3.43,;-7.33,2.89,;-8.47,3.92,;-7.58,1.37,;-6.39,.39,;-4.95,.93,;-3.75,-.04,;-2.32,.52,;-1.11,-.44,;-1.35,-1.96,;-2.78,-2.52,;-3.01,-4.04,;-1.81,-5.01,;-2.04,-6.53,;-.38,-4.45,;-3.98,-1.56,;-5.39,-2.18,;-1.4,5.05,;-.96,6.53,)|
CONC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC)ncc1Br)C#N |r,wU:11.10,14.17,8.8,wD:11.34,c:22,(8.47,-1.04,;7.38,.05,;5.9,-.35,;4.81,.74,;5.2,2.23,;3.32,.34,;2.92,-1.15,;2.23,1.43,;.76,.96,;.42,-.54,;-.36,2.02,;-1.83,1.57,;-2.06,.05,;-3.49,-.51,;-4.7,.45,;-4.46,1.97,;-3.03,2.53,;-5.89,1.43,;-7.33,.89,;-8.47,1.92,;-7.58,-.63,;-6.39,-1.61,;-4.95,-1.07,;-3.75,-2.04,;-2.32,-1.48,;-1.11,-2.44,;.32,-1.88,;1.52,-2.84,;-1.35,-3.96,;-2.78,-4.53,;-3.98,-3.56,;-5.39,-4.18,;-1.4,3.05,;-.96,4.53,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)C#N)NC(=O)C(=O)NC1CC1 |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(.22,.97,;.56,2.47,;-.55,3.53,;-2.03,3.07,;-2.26,1.55,;-3.69,.99,;-4.89,1.95,;-4.66,3.47,;-3.23,4.04,;-6.08,2.93,;-7.53,2.39,;-8.67,3.42,;-7.78,.87,;-6.59,-.11,;-5.15,.43,;-3.95,-.54,;-2.52,.02,;-1.31,-.94,;-1.55,-2.46,;-2.98,-3.02,;-4.18,-2.06,;-5.59,-2.68,;-3.21,-4.54,;-2.01,-5.5,;-4.65,-5.1,;-3.61,-6.03,;-1.6,4.55,;-1.16,6.03,;2.03,2.94,;3.12,1.85,;2.72,.36,;4.61,2.25,;5.01,3.73,;5.7,1.16,;7.18,1.56,;8.67,1.16,;8.27,2.64,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)C#N |r,wU:10.9,13.16,7.7,wD:10.35,c:21,(7.18,1.56,;5.7,1.16,;4.61,2.25,;5.01,3.73,;3.12,1.85,;2.72,.36,;2.03,2.94,;.56,2.47,;.22,.97,;-.55,3.53,;-2.03,3.07,;-2.26,1.55,;-3.69,.99,;-4.89,1.95,;-4.66,3.47,;-3.23,4.04,;-6.08,2.93,;-7.53,2.39,;-8.67,3.42,;-7.78,.87,;-6.59,-.11,;-5.15,.43,;-3.95,-.54,;-2.52,.02,;-1.31,-.94,;-1.55,-2.46,;-2.98,-3.02,;-4.18,-2.06,;-5.59,-2.68,;-3.21,-4.54,;-2.01,-5.5,;-4.65,-5.1,;-3.61,-6.03,;-1.6,4.55,;-1.16,6.03,)|
CONC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br)C#N |r,wU:11.10,14.17,8.8,wD:11.37,c:22,(8.47,-1.04,;7.38,.05,;5.9,-.35,;4.81,.74,;5.2,2.23,;3.32,.34,;2.92,-1.15,;2.23,1.43,;.76,.96,;.42,-.54,;-.36,2.02,;-1.83,1.57,;-2.06,.05,;-3.49,-.51,;-4.7,.45,;-4.46,1.97,;-3.03,2.53,;-5.89,1.43,;-7.33,.89,;-8.47,1.92,;-7.58,-.63,;-6.39,-1.61,;-4.95,-1.07,;-3.75,-2.04,;-2.32,-1.48,;-1.11,-2.44,;.32,-1.88,;1.52,-2.84,;2.96,-2.28,;1.29,-4.37,;2.61,-3.93,;-1.35,-3.96,;-2.78,-4.53,;-3.98,-3.56,;-5.39,-4.18,;-1.4,3.05,;-.96,4.53,)|
CONC(=O)C(=O)N[C@@H](C)C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br |r,wU:11.10,14.17,8.8,c:22,(8.47,-.04,;7.38,1.05,;5.9,.65,;4.81,1.74,;5.2,3.23,;3.32,1.34,;2.92,-.15,;2.23,2.43,;.76,1.96,;.42,.46,;-.36,3.02,;-1.83,2.57,;-2.06,1.04,;-3.49,.48,;-4.7,1.44,;-4.46,2.97,;-3.03,3.53,;-5.89,2.42,;-7.33,1.88,;-8.47,2.91,;-7.58,.36,;-6.39,-.62,;-4.95,-.07,;-3.75,-1.04,;-2.32,-.48,;-1.11,-1.44,;.32,-.88,;1.52,-1.85,;2.96,-1.29,;1.29,-3.37,;2.61,-2.94,;-1.35,-2.97,;-2.78,-3.53,;-3.98,-2.57,;-5.39,-3.19,)|
COc1cc(C2=NNC(=O)O[C@@]22CC[C@H](C[C@H](C)NC(=O)C(N)=O)CC2)c(Br)cn1 |r,wU:14.15,11.10,16.17,t:5,(2.81,-1.85,;1.61,-.88,;.17,-1.44,;-1.03,-.48,;-2.46,-1.04,;-3.66,-.07,;-5.1,-.62,;-6.29,.36,;-6.04,1.88,;-7.18,2.91,;-4.6,2.42,;-3.41,1.44,;-2.2,.48,;-.77,1.04,;-.54,2.57,;.93,3.02,;2.05,1.96,;1.71,.46,;3.52,2.43,;4.61,1.34,;4.21,-.15,;6.09,1.74,;7.18,.65,;6.49,3.23,;-1.74,3.53,;-3.18,2.97,;-2.7,-2.57,;-4.1,-3.19,;-1.49,-3.53,;-.06,-2.97,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(OCC(F)F)ncc1Br)NC(=O)C(N)=O |r,wU:3.2,6.9,1.0,c:14,(1.71,.86,;2.05,2.36,;.93,3.42,;-.54,2.97,;-.77,1.44,;-2.2,.88,;-3.41,1.85,;-3.18,3.37,;-1.74,3.93,;-4.6,2.82,;-6.04,2.28,;-7.18,3.31,;-6.29,.76,;-5.1,-.21,;-3.66,.33,;-2.46,-.64,;-1.03,-.08,;.17,-1.04,;1.61,-.48,;2.81,-1.44,;2.58,-2.97,;1.14,-3.53,;3.78,-3.93,;-.06,-2.57,;-1.49,-3.13,;-2.7,-2.16,;-4.1,-2.78,;3.52,2.83,;4.61,1.74,;4.21,.25,;6.09,2.14,;7.18,1.05,;6.49,3.63,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)OC |r,wU:10.9,13.16,7.7,wD:10.33,c:21,(7.93,.27,;6.44,-.13,;5.35,.96,;5.75,2.45,;3.86,.56,;3.46,-.93,;2.77,1.65,;1.31,1.18,;.96,-.32,;.19,2.24,;-1.28,1.79,;-1.51,.26,;-2.95,-.3,;-4.15,.67,;-3.92,2.19,;-2.48,2.75,;-5.34,1.64,;-6.78,1.1,;-7.93,2.13,;-7.04,-.41,;-5.85,-1.39,;-4.4,-.85,;-3.21,-1.82,;-1.77,-1.26,;-.57,-2.22,;-.8,-3.75,;-2.24,-4.31,;-3.44,-3.34,;-4.85,-3.96,;.86,-1.66,;2.35,-1.26,;-.99,3.3,;-2.16,4.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)OC |r,wU:10.9,13.16,7.7,wD:10.35,c:21,(7.93,1.77,;6.44,1.38,;5.35,2.47,;5.75,3.95,;3.86,2.07,;3.46,.58,;2.77,3.16,;1.31,2.69,;.96,1.19,;.19,3.75,;-1.28,3.29,;-1.51,1.77,;-2.95,1.21,;-4.15,2.17,;-3.92,3.69,;-2.48,4.25,;-5.34,3.15,;-6.78,2.61,;-7.93,3.64,;-7.04,1.09,;-5.85,.11,;-4.4,.65,;-3.21,-.32,;-1.77,.24,;-.57,-.72,;-.8,-2.24,;-2.24,-2.8,;-3.44,-1.84,;-4.85,-2.46,;-2.47,-4.32,;-1.27,-5.29,;-3.9,-4.88,;-2.87,-5.81,;-.99,4.81,;-2.16,5.81,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC)ncc1Br)OC |r,wU:10.9,13.16,7.7,wD:10.33,c:21,(7.93,.27,;6.44,-.13,;5.35,.96,;5.75,2.45,;3.86,.56,;3.46,-.93,;2.77,1.65,;1.31,1.18,;.96,-.32,;.19,2.24,;-1.28,1.79,;-1.51,.26,;-2.95,-.3,;-4.15,.67,;-3.92,2.19,;-2.48,2.75,;-5.34,1.64,;-6.78,1.1,;-7.93,2.13,;-7.04,-.41,;-5.85,-1.39,;-4.4,-.85,;-3.21,-1.82,;-1.77,-1.26,;-.57,-2.22,;.86,-1.66,;2.07,-2.62,;-.8,-3.75,;-2.24,-4.31,;-3.44,-3.34,;-4.85,-3.96,;-.99,3.3,;-2.16,4.31,)|
CO[C@]1(C[C@H](C)NC(=O)C(=O)NC2CC2)CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:2.2,17.21,4.4,wD:2.1,c:26,(-2.9,4.31,;-1.74,3.3,;-2.03,1.79,;-.55,2.24,;.56,1.18,;.22,-.32,;2.03,1.65,;3.12,.56,;2.72,-.93,;4.61,.96,;5.01,2.45,;5.7,-.13,;7.18,.27,;8.67,-.13,;8.27,1.36,;-2.26,.26,;-3.69,-.3,;-4.89,.67,;-4.66,2.19,;-3.23,2.75,;-6.08,1.64,;-7.53,1.1,;-8.67,2.13,;-7.78,-.41,;-6.59,-1.39,;-5.15,-.85,;-3.95,-1.82,;-2.52,-1.26,;-1.31,-2.22,;-1.55,-3.75,;-2.98,-4.31,;-4.18,-3.34,;-5.59,-3.96,;.12,-1.66,;1.61,-1.26,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N)NC(=O)c1cccnc1 |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(.76,-.56,;1.11,.94,;-.01,2,;-1.48,1.55,;-1.71,.02,;-3.15,-.54,;-4.35,.43,;-4.12,1.95,;-2.68,2.51,;-5.54,1.4,;-6.98,.86,;-8.13,1.89,;-7.23,-.66,;-6.05,-1.63,;-4.6,-1.09,;-3.41,-2.06,;-1.97,-1.5,;-.77,-2.46,;.67,-1.9,;1.87,-2.87,;3.3,-2.31,;1.64,-4.39,;-1,-3.99,;-2.44,-4.55,;-3.64,-3.58,;-5.05,-4.21,;-1.19,3.06,;-.8,4.55,;2.57,1.41,;3.66,.32,;3.27,-1.17,;5.15,.72,;6.24,-.37,;7.73,.03,;8.13,1.52,;7.04,2.61,;5.55,2.21,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)F)ccc1Br)C#N)NC(=O)c1ccccn1 |r,wU:3.2,6.9,1.0,wD:3.28,c:14,(.76,-.56,;1.11,.94,;-.01,2,;-1.48,1.55,;-1.71,.02,;-3.15,-.54,;-4.35,.43,;-4.12,1.95,;-2.68,2.51,;-5.54,1.4,;-6.98,.86,;-8.13,1.89,;-7.23,-.66,;-6.05,-1.63,;-4.6,-1.09,;-3.41,-2.06,;-1.97,-1.5,;-.77,-2.46,;.67,-1.9,;1.87,-2.87,;3.3,-2.31,;1.64,-4.39,;-1,-3.99,;-2.44,-4.55,;-3.64,-3.58,;-5.05,-4.21,;-1.19,3.06,;-.8,4.55,;2.57,1.41,;3.66,.32,;3.27,-1.17,;5.15,.72,;6.24,-.37,;7.73,.03,;8.13,1.52,;7.04,2.61,;5.55,2.21,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(c1Br)C(F)(F)F)OC |r,wU:10.9,13.16,7.7,wD:10.35,c:21,(7.18,1.51,;5.7,1.11,;4.61,2.2,;5.01,3.69,;3.12,1.8,;2.72,.32,;2.03,2.89,;.56,2.42,;.22,.92,;-.55,3.48,;-2.03,3.03,;-2.26,1.51,;-3.69,.95,;-4.89,1.91,;-4.66,3.43,;-3.23,3.99,;-6.08,2.89,;-7.53,2.35,;-8.67,3.38,;-7.78,.83,;-6.59,-.15,;-5.15,.39,;-3.95,-.58,;-2.52,-.02,;-1.31,-.98,;-1.55,-2.5,;-2.98,-3.06,;-4.18,-2.1,;-5.59,-2.72,;-3.21,-4.59,;-2.01,-5.55,;-4.65,-5.15,;-1.72,-4.19,;-1.74,4.54,;-2.9,5.55,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)OC |r,wU:10.9,13.16,7.7,wD:10.33,c:21,(7.18,.86,;5.7,.46,;4.61,1.55,;5.01,3.03,;3.12,1.15,;2.72,-.34,;2.03,2.24,;.56,1.77,;.22,.27,;-.55,2.83,;-2.03,2.37,;-2.26,.85,;-3.69,.29,;-4.89,1.25,;-4.66,2.77,;-3.23,3.34,;-6.08,2.23,;-7.53,1.69,;-8.67,2.72,;-7.78,.17,;-6.59,-.81,;-5.15,-.27,;-3.95,-1.24,;-2.52,-.68,;-1.31,-1.64,;-1.55,-3.16,;-2.98,-3.72,;-4.18,-2.76,;-5.59,-3.38,;-.34,-4.12,;.99,-4.89,;-1.74,3.89,;-2.9,4.89,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(F)ccc1Br)OC |r,wU:10.9,13.16,7.7,wD:10.32,c:21,(7.18,.27,;5.7,-.13,;4.61,.96,;5.01,2.45,;3.12,.56,;2.72,-.93,;2.03,1.65,;.56,1.18,;.22,-.32,;-.55,2.24,;-2.03,1.79,;-2.26,.26,;-3.69,-.3,;-4.89,.67,;-4.66,2.19,;-3.23,2.75,;-6.08,1.64,;-7.53,1.1,;-8.67,2.13,;-7.78,-.41,;-6.59,-1.39,;-5.15,-.85,;-3.95,-1.82,;-2.52,-1.26,;-1.31,-2.22,;.12,-1.66,;-1.55,-3.75,;-2.98,-4.31,;-4.18,-3.34,;-5.59,-3.96,;-1.74,3.3,;-2.9,4.31,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(OC(F)(F)F)ccc1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.36,c:21,(7.18,.03,;5.7,-.37,;4.61,.72,;5.01,2.21,;3.12,.32,;2.72,-1.17,;2.03,1.41,;.56,.94,;.22,-.56,;-.55,2,;-2.03,1.55,;-2.26,.02,;-3.69,-.54,;-4.89,.43,;-4.66,1.95,;-3.23,2.51,;-6.08,1.4,;-7.53,.86,;-8.67,1.89,;-7.78,-.66,;-6.59,-1.63,;-5.15,-1.09,;-3.95,-2.06,;-2.52,-1.5,;-1.31,-2.46,;.12,-1.9,;1.32,-2.87,;2.76,-2.31,;1.09,-4.39,;1.72,-1.38,;-1.55,-3.99,;-2.98,-4.55,;-4.18,-3.58,;-5.59,-4.21,;-1.74,3.06,;-1.34,4.55,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(F)ccc1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.32,c:21,(7.18,.03,;5.7,-.37,;4.61,.72,;5.01,2.21,;3.12,.32,;2.72,-1.17,;2.03,1.41,;.56,.94,;.22,-.56,;-.55,2,;-2.03,1.55,;-2.26,.02,;-3.69,-.54,;-4.89,.43,;-4.66,1.95,;-3.23,2.51,;-6.08,1.4,;-7.53,.86,;-8.67,1.89,;-7.78,-.66,;-6.59,-1.63,;-5.15,-1.09,;-3.95,-2.06,;-2.52,-1.5,;-1.31,-2.46,;.12,-1.9,;-1.55,-3.99,;-2.98,-4.55,;-4.18,-3.58,;-5.59,-4.21,;-1.74,3.06,;-1.34,4.55,)|
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CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(F)c1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.32,c:21,(7.93,.79,;6.44,.39,;5.35,1.48,;5.75,2.97,;3.86,1.08,;3.46,-.41,;2.77,2.17,;1.31,1.7,;.96,.2,;.19,2.76,;-1.28,2.31,;-1.51,.79,;-2.95,.22,;-4.15,1.19,;-3.92,2.71,;-2.48,3.27,;-5.34,2.17,;-6.78,1.62,;-7.93,2.65,;-7.04,.11,;-5.85,-.87,;-4.4,-.33,;-3.21,-1.3,;-1.77,-.74,;-.57,-1.7,;-.8,-3.23,;-2.24,-3.79,;-2.47,-5.31,;-3.44,-2.82,;-4.85,-3.44,;-.99,3.82,;-.6,5.31,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(F)c1Br)C#N)NC(=O)c1cccnn1 |r,wU:3.2,6.9,1.0,wD:3.25,c:14,(.76,.2,;1.11,1.7,;-.01,2.76,;-1.48,2.31,;-1.71,.79,;-3.15,.22,;-4.35,1.19,;-4.12,2.71,;-2.68,3.27,;-5.54,2.17,;-6.98,1.62,;-8.13,2.65,;-7.23,.11,;-6.05,-.87,;-4.6,-.33,;-3.41,-1.3,;-1.97,-.74,;-.77,-1.7,;-1,-3.23,;-2.44,-3.79,;-2.67,-5.31,;-3.64,-2.82,;-5.05,-3.44,;-1.19,3.82,;-.8,5.31,;2.57,2.17,;3.66,1.08,;3.27,-.41,;5.15,1.48,;6.24,.39,;7.73,.79,;8.13,2.28,;7.04,3.37,;5.55,2.97,)|
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C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cc(F)c(F)cc1Br)C#N)NC(=O)c1cccnn1 |r,wU:3.2,6.9,1.0,wD:3.26,c:14,(.76,-.36,;1.11,1.14,;-.01,2.2,;-1.48,1.75,;-1.71,.22,;-3.15,-.34,;-4.35,.63,;-4.12,2.15,;-2.68,2.71,;-5.54,1.6,;-6.98,1.06,;-8.13,2.09,;-7.23,-.45,;-6.05,-1.43,;-4.6,-.89,;-3.41,-1.86,;-1.97,-1.3,;-.77,-2.26,;.67,-1.7,;-1,-3.79,;.2,-4.75,;-2.44,-4.35,;-3.64,-3.38,;-5.05,-4,;-1.19,3.26,;-.8,4.75,;2.57,1.61,;3.66,.52,;3.27,-.97,;5.15,.92,;6.24,-.17,;7.73,.23,;8.13,1.72,;7.04,2.81,;5.55,2.41,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(F)c1Br)OC |r,wU:10.9,13.16,7.7,wD:10.32,c:21,(7.93,1.03,;6.44,.63,;5.35,1.72,;5.75,3.21,;3.86,1.32,;3.46,-.16,;2.77,2.41,;1.31,1.94,;.96,.44,;.19,3,;-1.28,2.55,;-1.51,1.03,;-2.95,.47,;-4.15,1.43,;-3.92,2.95,;-2.48,3.51,;-5.34,2.41,;-6.78,1.87,;-7.93,2.9,;-7.04,.35,;-5.85,-.63,;-4.4,-.09,;-3.21,-1.06,;-1.77,-.5,;-.57,-1.46,;-.8,-2.98,;-2.24,-3.54,;-2.47,-5.07,;-3.44,-2.58,;-4.85,-3.2,;-.99,4.06,;-2.16,5.07,)|
C[C@@H](C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1cccc(F)c1Br)C#N)NC(=O)c1ccccn1 |r,wU:3.2,6.9,1.0,wD:3.25,c:14,(.76,.2,;1.11,1.7,;-.01,2.76,;-1.48,2.31,;-1.71,.79,;-3.15,.22,;-4.35,1.19,;-4.12,2.71,;-2.68,3.27,;-5.54,2.17,;-6.98,1.62,;-8.13,2.65,;-7.23,.11,;-6.05,-.87,;-4.6,-.33,;-3.41,-1.3,;-1.97,-.74,;-.77,-1.7,;-1,-3.23,;-2.44,-3.79,;-2.67,-5.31,;-3.64,-2.82,;-5.05,-3.44,;-1.19,3.82,;-.8,5.31,;2.57,2.17,;3.66,1.08,;3.27,-.41,;5.15,1.48,;6.24,.39,;7.73,.79,;8.13,2.28,;7.04,3.37,;5.55,2.97,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(C)CC[C@@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N |r,wU:10.9,14.17,7.7,wD:10.10,c:22,(7.93,.77,;6.44,.37,;5.35,1.46,;5.75,2.95,;3.86,1.06,;3.46,-.42,;2.77,2.15,;1.31,1.68,;.96,.18,;.19,2.74,;-1.28,2.29,;-.99,3.8,;-2.48,3.25,;-3.92,2.69,;-4.15,1.17,;-2.95,.21,;-1.51,.77,;-5.34,2.15,;-6.78,1.61,;-7.93,2.64,;-7.04,.09,;-5.85,-.89,;-4.4,-.35,;-3.21,-1.32,;-1.77,-.76,;-.57,-1.72,;-.8,-3.24,;-2.24,-3.8,;-3.44,-2.84,;-4.85,-3.46,;.86,-1.16,;2.35,-.76,)|
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CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1ccc(cc1Br)C#N)OC |r,wU:10.9,13.16,7.7,wD:10.33,c:21,(7.93,1.02,;6.44,.62,;5.35,1.71,;5.75,3.19,;3.86,1.31,;3.46,-.18,;2.77,2.4,;1.31,1.93,;.96,.43,;.19,2.99,;-1.28,2.53,;-1.51,1.01,;-2.95,.45,;-4.15,1.41,;-3.92,2.93,;-2.48,3.49,;-5.34,2.39,;-6.78,1.85,;-7.93,2.88,;-7.04,.33,;-5.85,-.65,;-4.4,-.11,;-3.21,-1.08,;-1.77,-.52,;-.57,-1.48,;-.8,-3,;-2.24,-3.56,;-3.44,-2.6,;-4.85,-3.22,;.4,-3.96,;1.49,-5.05,;-.99,4.05,;-2.16,5.05,)|
CNC(=O)C(=O)N[C@@H](C)C[C@]1(CC[C@]2(CC1)OC(=O)NN=C2c1ccccc1Br)C#N |r,wU:10.9,13.16,7.7,wD:10.31,c:21,(7.93,.03,;6.44,-.37,;5.35,.72,;5.75,2.21,;3.86,.32,;3.46,-1.17,;2.77,1.41,;1.31,.94,;.96,-.56,;.19,2,;-1.28,1.55,;-1.51,.02,;-2.95,-.54,;-4.15,.43,;-3.92,1.95,;-2.48,2.51,;-5.34,1.4,;-6.78,.86,;-7.93,1.89,;-7.04,-.66,;-5.85,-1.63,;-4.4,-1.09,;-3.21,-2.06,;-1.77,-1.5,;-.57,-2.46,;-.8,-3.99,;-2.24,-4.55,;-3.44,-3.58,;-4.85,-4.21,;-.99,3.06,;-.6,4.55,)|
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C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C(N)=O |r,wU:3.2,6.9,1.0,c:14,(1.71,.46,;2.05,1.96,;.93,3.02,;-.54,2.57,;-.77,1.04,;-2.2,.48,;-3.41,1.44,;-3.18,2.97,;-1.74,3.53,;-4.6,2.42,;-6.04,1.88,;-7.18,2.91,;-6.29,.36,;-5.1,-.62,;-3.66,-.07,;-2.46,-1.04,;-1.03,-.48,;.17,-1.44,;-.06,-2.97,;-1.49,-3.53,;-2.7,-2.57,;-4.1,-3.19,;1.61,-.88,;3.1,-.49,;3.52,2.43,;4.61,1.34,;4.21,-.15,;6.09,1.74,;7.18,.65,;6.49,3.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C(O)=O |r,wU:3.2,6.9,1.0,c:14,(1.71,.46,;2.05,1.96,;.93,3.02,;-.54,2.57,;-.77,1.04,;-2.2,.48,;-3.41,1.44,;-3.18,2.97,;-1.74,3.53,;-4.6,2.42,;-6.04,1.88,;-7.18,2.91,;-6.29,.36,;-5.1,-.62,;-3.66,-.07,;-2.46,-1.04,;-1.03,-.48,;.17,-1.44,;-.06,-2.97,;-1.49,-3.53,;-2.7,-2.57,;-4.1,-3.19,;1.61,-.88,;3.1,-.49,;3.52,2.43,;4.61,1.34,;4.21,-.15,;6.09,1.74,;7.18,.65,;6.49,3.23,)|
C[C@@H](C[C@H]1CC[C@]2(CC1)OC(=O)NN=C2c1cc(ccc1Br)C#N)NC(=O)C(=O)NCO |r,wU:3.2,6.9,1.0,c:14,(.42,.46,;.76,1.96,;-.36,3.02,;-1.83,2.57,;-2.06,1.04,;-3.49,.48,;-4.7,1.44,;-4.46,2.97,;-3.03,3.53,;-5.89,2.42,;-7.33,1.88,;-8.47,2.91,;-7.58,.36,;-6.39,-.62,;-4.95,-.07,;-3.75,-1.04,;-2.32,-.48,;-1.11,-1.44,;-1.35,-2.97,;-2.78,-3.53,;-3.98,-2.57,;-5.39,-3.19,;.32,-.88,;1.81,-.49,;2.23,2.43,;3.32,1.34,;2.92,-.15,;4.81,1.74,;5.2,3.23,;5.9,.65,;7.38,1.05,;8.47,-.04,)|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r|
C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1 |r|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1 |r|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 |r|
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1 |r|
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1 |r|
Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)C#Cc2ccccc2)CC1 |r|
Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 |r|
[H][C@]1(CN=C(O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1)c1ccc(F)cc1 |r,t:3|
C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)C#Cc1ccccc1 |r|
C[C@@H](CN1CCC2(CC1)[C@H](CNC2=O)c1ccc(F)cc1)NC(=O)c1cnc2ccccc2c1 |r|
[H][C@]1(CN=C(O)C11CCN(CCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 |r,t:3|
C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F
C[C@@H](CN1CCC(CC1)n1c2ccccc2oc1=O)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC(CC1)N1C(=O)Cc2ccccc12)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC(CC1)N1CCNC1=O)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC(CC1)c1n[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)CC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)NC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)N(C)C(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccccc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cc(F)ccc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1ccncc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)OC(=O)Nc1cccnc21)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F
CN(CCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)C(C)=O
O=c1[nH]c2ccccc2n1C1CCN(CCn2ccccc2=O)CC1
C[C@@H](CN1CCC(CC1)n1c2ccccc2[nH]c1=O)n1ccccc1=O |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCC(F)(F)C1 |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@@H](C)c2ccccc2C1 |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCOCC1 |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN[C@@H](C)C1 |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCNC(C)(C)C1 |r|
CC[C@H]1CN(CCN1)C(=O)[C@H](C)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
C[C@H](N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1C[C@H](C)N[C@H](C)C1 |r|
C[C@@H]1CN(C[C@H](N1)C)C(=O)[C@H](C)N2CCC(CC2)N3c4ccccc4NC3=O
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccsc1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2[nH]1
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cc2ccccc2s1
Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
CC(=O)c1ccc2[nH]c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c1
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r|
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1=CCc2ccccc2C1 |t:24|
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r|
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)[C@@H]1C[C@H]1c1ccccc1 |r|
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(Cl)cc1 |r|
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r|
C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1 |r|
Clc1ccc2n(C3CCN(CCNC(=O)C4C[C@@H]4c4ccccc4)CC3)c(=O)[nH]c2c1 |r|
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2n1
O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cnc2ccccc2n1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cccc(C)c1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)cc1 |r|
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1 |r|
C[C@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1 |r|
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(Br)cc2)CC1