3192 SMILES Strings for Nociceptin receptor

Compound Name
SMILES String
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(CCc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(CCc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(CCc2cc(O)ccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(CCc2cc(O)ccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NCC1(Cc2ccccc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@@]1(Cc2ccc(O)cc2C1)N(C)C
C[C@@H](Cc1ccsc1)NC(=O)NC[C@]1(Cc2ccc(O)cc2C1)N(C)C
OC(=O)CN1CCC[C@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:26:25:17.18.24:20.22.21|
OC(=O)CCN1CC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
C1CNC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:23:22:14.15.21:17.19.18|
OC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CN1CC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
NC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1\C(N([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c2ccccc12)=C1\CCCN(CC(O)=O)C1 |r,THB:16:15:7.8.14:10.12.11|
OC(=O)CN1CCC(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CCC(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
OC(=O)CN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1 |r,THB:27:26:18.19.25:21.23.22|
OC(=O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1 |r,THB:28:27:19.20.26:22.24.23|
COCCOCCOCCN1CCC[C@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:34:33:25.26.32:28.30.29|
COCCOCCOCCN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:34:33:25.26.32:28.30.29|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)N1CCC[C@H]1C(O)=O |r,THB:8:10:17.18.16:12.14.13|
OC(=O)[C@@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:26:25:17.18.24:20.22.21|
OC(=O)CN1CCN(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)[C@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:26:25:17.18.24:20.22.21|
CC(=O)C1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 |r,THB:26:25:17.18.24:20.22.21|
OC(=O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 |r,THB:27:26:18.19.25:21.23.22|
CCOC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
CONC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
COC(=O)\N=c1/n(CC(N)=O)c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:23:22:14.15.21:17.19.18|
OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:23:22:14.15.21:17.19.18|
OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:20:19:11.12.18:14.16.15|
OC(=O)CO\N=C\c1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:25:24:16.17.23:19.21.20|
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:33:32:24.25.31:27.29.28|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnn[nH]1 |r,TLB:9:8:4.3.5:1.7.0|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnc[nH]1 |r,TLB:9:8:4.3.5:1.7.0|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1 |r,TLB:9:8:4.3.5:1.7.0|
COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:26:25:17.18.24:20.22.21|
CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:31:30:22.23.29:25.27.26|
CCN(CC)C(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:32:31:23.24.30:26.28.27|
OC(=O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23|
OC(=O)CCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:29:28:20.21.27:23.25.24|
OC(=O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:28:27:19.20.26:22.24.23|
CS(=O)(=O)NCCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:31:30:22.23.29:25.27.26|
CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:30:29:21.22.28:24.26.25|
CCN(CC)C(=O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:32:31:23.24.30:26.28.27|
CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:31:30:22.23.29:25.27.26|
O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1 |r,THB:24:23:15.16.22:18.20.19|
C([C@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
C([C@@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
Cn1ccnc1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:32:31:23.24.30:26.28.27|
OC(=O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
OC(=O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:29:28:20.21.27:23.25.24|
C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 |r,THB:19:18:10.11.17:13.15.14|
Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)[nH]1 |r,THB:24:23:15.16.22:18.20.19|
C(c1nnn[nH]1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:24:23:15.16.22:18.20.19|
COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:26:25:17.18.24:20.22.21|
C1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)-c1cnccn1 |r,THB:7:9:16.17.15:11.13.12|
Cc1nc(C)c(s1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:25:24:16.17.23:19.21.20|
C1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)-c1ccno1 |r,THB:7:9:16.17.15:11.13.12|
Cc1cc(no1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:24:23:15.16.22:18.20.19|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1c[nH]cn1 |r,TLB:9:8:4.3.5:1.7.0|
C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cc[nH]n1 |r,TLB:9:8:4.3.5:1.7.0|
Cn1cc(Cl)c(n1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:25:24:16.17.23:19.21.20|
O=c1cc([nH]c(=O)[nH]1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:26:25:17.18.24:20.22.21|
CCOP(=O)(OCC)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:28:27:32:29.30,THB:25:24:17.18.23:20.21,28:29:32:33.27.26,30:31:29.28:26|
OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:24:23:28:25.26,THB:21:20:13.14.19:16.17,24:25:28:29.23.22,26:27:25.24:22|
OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:22:21:13.14.20:16.18.17|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(O)=O |r,THB:8:10:17.18.16:12.14.13|
OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:22:21:13.14.20:16.18.17|
OP(O)(=O)NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r,THB:25:24:16.17.23:19.21.20|
OP(O)(=O)CCNc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:25:24:16.17.23:19.21.20|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(NCCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O |r,THB:28:27:19.20.26:22.24.23|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(\C=C\P(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
CC1(C)[C@@H]2CC1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(c1=O)P(O)(O)=O)CC2 |r,THB:8:9:16.17.15:11.13.12|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(c1=O)P(O)(=O)OCOC(=O)c1ccccc1 |r,THB:8:10:17.18.16:12.14.13|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CCC(=CC2)P(C)(O)=O)c1=O |r,c:36,THB:8:10:17.18.16:12.14.13|
NC(=N)NCCNC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:27:26:11:21.15.14|
NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@]2(C1)CCN3CC1CC1 |r,TLB:21:20:5:15.9.8|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
[H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CN1Cc2ccccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CN1Cc2cccc(F)c2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
CNC(=O)C1(CCN(CC1)C1CCC(CC1)C(C)C)c1ccccc1 |(1.54,6.32,;.21,5.55,;.21,4.01,;1.54,3.24,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;.21,5.55,;1.54,3.24,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
O=C1N(CC2CC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
O=C1N(CC#C)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
C=CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
OCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
COCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1
CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1
CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12
CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12
CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCc2ccccc2)C3=O)c2ccccc2)c2ccccc12
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3ccc(Cl)cc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O
CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)c(Cl)cc23)C1=O
NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2cc3ccccc3cc12
NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccccc12
Cc1cccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c12
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1
Cc1ccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc2c1
Cc1cccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc12
CC(C)(C)c1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1
NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccc(Cl)cc12
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCN)c2c1
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCN)c2c1
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3N)c2c1 |r|
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1 |r|
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1 |r,wD:19.19,22.23,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;1,8.48,;2.29,9.32,;3.66,8.61,;4.96,9.45,;3.74,7.08,;2.45,6.24,;-1.59,3.86,;-2.92,4.63,)|
Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:22.23,wD:19.19,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.45,6.24,;3.74,7.08,;3.66,8.61,;4.96,9.45,;2.29,9.32,;1,8.48,;-1.59,3.86,;-2.92,4.63,)|
[#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6|
[#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6|
[#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](\[#7])-[#7])c2c1 |r,w:7.6|
Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](CC3)N=C(N)N)c2c1 |r,w:7.6,wD:19.19,22.26,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.41,6.17,;3.74,6.94,;3.74,8.48,;2.41,9.25,;1.08,8.48,;5.08,9.25,;6.41,8.48,;6.41,6.94,;7.74,9.25,;-1.59,3.86,;-2.92,4.63,)|
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
[#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
CC(C)NCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)CNCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)CCNCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CN(Cc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCCCC1
CC(C)N(Cc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCCCC1
Cc1c(CN2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccccn1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccncc1)-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)nc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
CCc1ccc(cn1)-c1c(C)c(CNC2CCCC2)nn1-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(nc1)C(F)(F)F)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cncc(C)c1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1C
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1C(F)(F)F
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1S(C)(=O)=O
Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncc(Cl)cc1Cl
Cc1c(CNC2CCCC2F)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl |r|
Cc1c(CNC2CCC(F)(F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(=O)CC1
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.28,wD:20.22,24.27,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.27,wD:20.22,24.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;5.96,-1.37,;7.45,-.23,;6.66,1.54,;5.83,2.84,)|
CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)CCNC(=O)OC)nc2cc1Cl
CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,wD:14.14,18.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;5.48,2.82,;6.5,1.67,;6.01,.21,;4.51,-.1,;3.48,1.06,;7.04,-.94,;6.55,-2.4,;5.04,-2.71,;7.57,-3.56,;7.08,-5.02,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl |r|
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
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CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)[N+](=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r,wU:50.51,4.3,91.94,27.27,73.76,109.112,wD:100.109,82.85,64.67,39.40,15.14,118.121,(-12.32,.46,;-10.99,1.23,;-10.99,2.77,;-9.65,.46,;-8.36,1.24,;-8.36,2.78,;-9.69,3.55,;-9.69,5.09,;-11.02,5.86,;-11.02,7.4,;-12.36,8.17,;-9.69,8.17,;-7.02,.47,;-7.02,-1.07,;-5.69,1.24,;-4.35,.47,;-4.35,-1.07,;-3.02,-1.84,;-3.02,-3.38,;-1.68,-4.15,;-.35,-3.38,;.98,-4.15,;-.35,-1.84,;-1.68,-1.07,;-3.01,1.24,;-3.01,2.78,;-1.68,.47,;-.36,1.26,;-.36,2.8,;.73,3.89,;.73,5.43,;2.07,6.2,;3.4,5.43,;4.73,6.2,;3.4,3.89,;2.07,3.12,;.98,.49,;.98,-1.05,;2.32,1.26,;3.65,.49,;3.65,-1.05,;4.99,-1.82,;4.99,-3.36,;6.32,-4.13,;6.32,-5.67,;7.65,-6.44,;5.23,-6.76,;4.99,1.26,;4.99,2.8,;6.32,.49,;7.65,1.26,;7.65,2.8,;8.99,3.57,;10.47,3.17,;11.31,4.46,;10.34,5.66,;10.58,7.18,;9.39,8.15,;7.95,7.6,;7.71,6.08,;8.91,5.11,;8.99,.49,;8.99,-1.05,;10.33,1.24,;11.66,.47,;11.66,-1.07,;13,-1.84,;13,-3.38,;14.33,-4.15,;14.33,-5.69,;13,1.24,;13,2.78,;14.33,.47,;15.66,1.25,;15.66,2.79,;16.99,3.56,;16.99,5.1,;18.32,5.87,;18.35,7.41,;16.99,.48,;16.99,-1.06,;18.34,1.23,;19.67,.46,;19.67,-1.08,;21,-1.85,;21,-3.39,;22.34,-4.16,;22.34,-5.7,;21.01,1.23,;21.01,2.77,;22.34,.46,;23.66,1.25,;23.66,2.79,;25,3.56,;25,5.1,;26.33,5.87,;26.35,7.4,;25,.48,;25,-1.06,;26.34,1.24,;27.68,.47,;27.68,-1.07,;29.01,-1.84,;29.01,-3.38,;30.34,-4.15,;30.34,-5.69,;29.01,1.24,;29.01,2.78,;30.34,.46,;31.67,1.25,;31.67,2.79,;33.01,3.56,;33.01,5.1,;34.34,5.87,;34.36,7.4,;33,.48,;33,-1.06,;34.34,1.24,;35.67,.47,;35.67,-1.07,;37,-1.84,;37,-3.38,;38.34,-4.15,;38.34,-5.69,;37.01,1.24,;38.34,.47,;37.01,2.78,)|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 |TLB:16:15:1:3.4.10|
CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO
COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Oc1ccc2CC3C4CCCCC4(CCN3CC=C)c2c1 |TLB:20:19:15.14.13:7,16:15:7:5.4.19,THB:8:7:15.14.13:5.4.19|
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:20:21:7.11.12:5.4.17,THB:22:21:7.11.12:5.4.17|
Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O |TLB:22:23:7.12.13:5.4.18,THB:24:23:7.12.13:5.4.18|
Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18|
Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(I)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(I)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
CN(C1CCCCC1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,THB:19:20:27:24.23.25|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26|
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O |r|
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O |r,THB:8:10:18.17.16:12.13.14|
CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CCC(=O)N(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CCC(=O)N(C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CCC(=O)N(C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NC(=O)CC1=O |(2.14,-8.13,;.8,-7.36,;-.53,-8.13,;.8,-5.82,;-.53,-5.05,;-.53,-3.51,;.8,-2.74,;2.14,-3.51,;2.14,-5.05,;.8,-1.2,;-.53,-.43,;-.53,1.11,;.8,1.88,;2.14,1.11,;2.14,-.43,;.8,3.42,;-.58,4.09,;-1.71,3.04,;-3.18,3.5,;-3.52,5,;-2.39,6.05,;-.92,5.59,;.04,6.8,;1.58,6.8,;2.35,8.13,;2.54,5.59,;2.19,4.09,;3.52,3.32,)|
CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(3.97,3.7,;3.57,5.19,;2.09,5.59,;3.57,5.99,;3.97,7.48,;1.13,6.8,;1.9,8.13,;-.41,6.8,;-1.37,5.59,;-2.84,6.05,;-3.97,5,;-3.63,3.5,;-2.16,3.04,;-1.03,4.09,;.35,3.42,;.35,1.88,;-.98,1.11,;-.98,-.43,;.35,-1.2,;1.69,-.43,;1.69,1.11,;.35,-2.74,;-.98,-3.51,;-.98,-5.05,;.35,-5.82,;1.69,-5.05,;1.69,-3.51,;.35,-7.36,;1.69,-8.13,;-.98,-8.13,;1.74,4.09,;3.07,3.32,)|
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c1=O
Fc1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
Fc1ccc2[nH]c(=O)c(=O)n(C3CCN(CC3)C3CCCCCCC3)c2c1
Fc1cccc2n(C3CCN(CC3)C3CCCCCCC3)c(=O)c(=O)[nH]c12
Fc1cccc2N(C3CCN(CC3)C3CCCCCCC3)C(=O)CC(=O)Nc12
NC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2Cc3cccc4cccc2c34)c(=O)c1=O
CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCC2)C(=O)CC1=O
CCn1c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c(=O)c1=O
O=c1n(CC#N)c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=c1[nH]c2ccc(cc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)N1CCOCC1
O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 |r|
O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2CCCCC\C=C/2)c1=O |r,c:14,27,TLB:9:10:17:13.14|
O=c1[nH]c2ncccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2cccnc2N1
O=C(N1CCCCC1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:9|
O=C(N1CCOCC1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:9|
O=C(NCc1ccccc1)C1=C(CCN(C1)C1CCCCCCC1)n1c2ccccc2[nH]c(=O)c1=O |t:11|
COc1ccc2N(C3CCN(CC3)C3CCCCC\C=C/3)C(=O)CC(=O)Nc2n1 |c:20|
COc1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCC\C=C/3)c2n1 |c:26|
COC(=O)c1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
OC(=O)c1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
COC(=O)C1(CCCCCCC1)N1CCC(CC1)N1c2cc(F)ccc2NC(=O)CC1=O
O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
O=c1[nH]c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(CC2)C2CCCCCCC2)C1=O
CC(C)C1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O |(2,-7.31,;.67,-6.54,;-.67,-7.31,;.67,-5,;-.67,-4.23,;-.67,-2.69,;.67,-1.93,;2,-2.69,;2,-4.23,;.67,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;2,1.93,;2,.38,;.67,4.23,;-.67,5,;-2,4.23,;-3.33,5,;-3.33,6.54,;-2,7.31,;-.67,6.54,;.67,7.31,;2,6.54,;3.33,7.31,;2,5,;3.33,4.23,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:29.35,21.25,7.7,c:38,TLB:21:19:16.1:33.32,THB:10:9:17:4.5.6,20:19:16.1:33.32,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1cccs1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-1.63,-7.1,;-.68,-4.89,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccc(F)cc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;.84,-8.35,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)C(=O)c1cc2ccccc2n1C |(-1.82,-2.89,;-1.76,-1.35,;-3.3,-1.46,;-1.09,.03,;-2.45,.75,;-2.5,2.29,;-1.2,3.11,;.16,2.39,;.22,.85,;-.52,4.49,;1.01,4.6,;-.47,6.03,;-1.97,4.44,;-3.51,4.44,;-4.28,5.78,;-3.51,7.11,;-1.97,7.11,;-1.2,5.78,;-.32,-1.3,;-1.09,-2.64,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)C(=O)c1cc2ccccc2n1C |(-1.82,-2.89,;-1.76,-1.35,;-3.3,-1.46,;-1.09,.03,;-2.45,.75,;-2.5,2.29,;-1.2,3.11,;.16,2.39,;.22,.85,;-.52,4.49,;-.47,6.03,;.97,4.89,;-1.97,4.44,;-3.51,4.44,;-4.28,5.78,;-3.51,7.11,;-1.97,7.11,;-1.2,5.78,;-.32,-1.3,;-1.09,-2.64,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,)|
CN(C)C1(CCC(CC1)(N1CCCC1)C(=N)c1cc2ccccc2n1C)c1ccccc1 |(1.92,-6.67,;.39,-6.88,;.77,-8.38,;-.55,-5.67,;-2,-5.14,;-2.27,-3.63,;-1.09,-2.64,;.36,-3.16,;.62,-4.68,;-2.27,-1.65,;-3.76,-2.02,;-4.58,-.71,;-3.59,.47,;-2.16,-.11,;-.32,-1.3,;-1.09,.03,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,;-1.03,-7.13,;-0,-8.28,;-.48,-9.74,;-1.98,-10.06,;-3.01,-8.92,;-2.54,-7.45,)|
CN(C)C1(CCC(CC1)(N1CCCC1)C(=O)c1cc2ccccc2n1C)c1ccccc1 |(1.01,4.6,;-.52,4.49,;-.47,6.03,;-1.2,3.11,;-2.5,2.29,;-2.45,.75,;-1.09,.03,;.22,.85,;.16,2.39,;-1.76,-1.35,;-1.04,-2.71,;-2.11,-3.82,;-3.5,-3.15,;-3.28,-1.62,;-.32,-1.3,;-.16,-2.83,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;-1.97,4.44,;-3.51,4.44,;-4.28,5.78,;-3.51,7.11,;-1.97,7.11,;-1.2,5.78,)|
CNC1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(4.59,-6.44,;3.05,-6.39,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
CN(C)C1(Cc2ccccc2)CCC(CC1)(N(C)C)c1ccccc1 |(7.51,2.77,;6.98,1.32,;5.46,1.05,;7.97,.14,;6.63,-.63,;6.63,-2.17,;7.97,-2.94,;7.97,-4.48,;6.63,-5.25,;5.3,-4.48,;5.3,-2.94,;8.96,1.32,;10.47,1.05,;11,-.39,;10.01,-1.57,;8.5,-1.31,;12.47,.08,;14,-.08,;12.79,1.59,;12.22,-1.34,;13.64,-.77,;14.86,-1.71,;14.64,-3.24,;13.21,-3.82,;12,-2.87,)|
CN(C)C1(CCC(C)(CNC(C)=O)CC1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;2.51,-10.36,;.15,-9.11,;.99,-4.26,;.99,-2.72,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
CN(C)C1(CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 |(4.12,-11.51,;4.65,-10.06,;6.16,-9.79,;3.66,-8.88,;4.99,-8.11,;4.99,-6.57,;3.66,-5.8,;2.67,-4.62,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;2.32,-6.57,;2.32,-8.11,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)|
CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(CC1)(N(C)C)c1ccccc1 |(-.89,-6.6,;.62,-6.33,;1.15,-4.89,;2.67,-4.62,;3.66,-5.8,;4.65,-4.62,;4.12,-3.17,;5.11,-1.99,;3.93,-1,;6.29,-2.98,;6.1,-.81,;5.57,.63,;6.56,1.81,;8.08,1.55,;9.07,2.73,;8.61,.1,;7.62,-1.08,;4.99,-6.57,;4.99,-8.11,;3.66,-8.88,;2.32,-8.11,;2.32,-6.57,;4.65,-10.06,;4.12,-11.51,;6.16,-9.79,;2.67,-10.06,;3.19,-11.51,;2.2,-12.69,;.69,-12.42,;.16,-10.97,;1.15,-9.79,)|
CN(C)C1(CCC(CO)(CCCCc2ccccc2)CC1)c1ccccc1 |(-9.74,-7.83,;-8.41,-8.6,;-9.31,-9.84,;-7.07,-7.83,;-5.53,-7.88,;-4.72,-6.58,;-5.44,-5.22,;-5.33,-3.68,;-6.61,-2.82,;-4.11,-4.45,;-2.77,-5.22,;-1.44,-4.45,;-.11,-5.22,;1.23,-4.45,;1.23,-2.91,;2.56,-2.14,;3.9,-2.91,;3.9,-4.45,;2.56,-5.22,;-6.98,-5.16,;-7.8,-6.47,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1)c1ccccc1 |(-5.43,5.61,;-6.77,4.84,;-7.39,6.24,;-6.77,3.3,;-7.58,1.99,;-6.86,.63,;-5.32,.58,;-4.5,1.88,;-5.23,3.24,;-5.32,-.96,;-4.69,-2.37,;-6.65,-1.73,;-7.99,-.96,;-6.65,-3.27,;-7.99,-4.04,;-7.99,-5.58,;-6.65,-6.35,;-6.65,-7.89,;-7.99,-8.66,;-9.32,-7.89,;-9.32,-6.35,;-4.04,-.29,;-2.66,.39,;-1.38,-.47,;-1.49,-2.01,;-2.87,-2.68,;-4.15,-1.82,;-8.04,4.16,;-9.43,3.48,;-10.7,4.34,;-10.6,5.88,;-9.21,6.55,;-7.94,5.69,)|
CN(C)C1(CCC(CC1)(N(C)C(C)=O)c1ccccc1)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;3.69,-2.02,;3.6,.64,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1 |(1.02,-11.24,;2.56,-11.19,;2.45,-12.73,;3.28,-9.83,;4.61,-9.06,;4.61,-7.52,;3.28,-6.75,;1.94,-7.52,;1.94,-9.06,;2.56,-5.39,;2.45,-3.85,;1.02,-5.34,;.2,-6.64,;.29,-3.98,;-1.25,-3.92,;-1.97,-2.56,;-3.51,-2.51,;-4.23,-1.15,;-3.42,.16,;-1.88,.1,;-1.15,-1.26,;4,-5.39,;3.18,-4.08,;3.91,-2.72,;5.45,-2.67,;6.26,-3.98,;5.54,-5.34,;4,-11.19,;5.54,-11.24,;6.26,-12.6,;5.45,-13.91,;3.91,-13.86,;3.18,-12.5,)|
CCNC(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(1.23,-4.45,;-.11,-5.22,;-1.44,-4.45,;-2.77,-5.22,;-2.77,-6.76,;-4.11,-4.45,;-3.2,-3.2,;-5.44,-5.22,;-4.72,-6.58,;-5.53,-7.88,;-7.07,-7.83,;-7.8,-6.47,;-6.98,-5.16,;-8.41,-8.6,;-9.74,-7.83,;-9.31,-9.84,;-7.18,-9.36,;-5.9,-10.22,;-6.01,-11.76,;-7.39,-12.44,;-8.67,-11.58,;-8.56,-10.04,;-5.33,-3.68,;-6.61,-2.82,;-6.5,-1.28,;-5.12,-.61,;-3.84,-1.47,;-3.95,-3,)|
CNC1(CCC(CN(C)C)(Cc2ccccc2)CC1)c1ccccc1 |(12.79,1.59,;12.47,.08,;11,-.39,;10.47,1.05,;8.96,1.32,;7.97,.14,;6.98,1.32,;5.46,1.05,;4.94,-.39,;4.47,2.23,;6.63,-.63,;6.63,-2.17,;7.97,-2.94,;7.97,-4.48,;6.63,-5.25,;5.3,-4.48,;5.3,-2.94,;8.5,-1.31,;10.01,-1.57,;12.22,-1.34,;13.64,-.77,;14.86,-1.71,;14.64,-3.24,;13.21,-3.82,;12,-2.87,)|
CN(C)CC1(Cc2ccccc2)CCC(CC1)(N(C)C)c1ccccc1 |(1.44,-4.17,;1.96,-2.73,;.97,-1.55,;3.48,-2.46,;4.47,-3.64,;3.14,-4.41,;3.14,-5.95,;4.47,-6.72,;4.47,-8.26,;3.14,-9.03,;1.8,-8.26,;1.8,-6.72,;5.46,-2.46,;6.98,-2.73,;7.5,-4.17,;6.51,-5.35,;5,-5.08,;8.72,-5.12,;8.5,-6.65,;10.21,-5.49,;8.97,-3.7,;9.29,-2.19,;10.75,-1.71,;11.9,-2.74,;11.58,-4.25,;10.11,-4.73,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1[nH]c2ccccc2c1C |(-.13,-3.96,;.54,-2.58,;1.85,-3.4,;-.32,-1.3,;-.37,.24,;-1.73,.96,;-3.04,.14,;-2.99,-1.4,;-1.63,-2.12,;-3.9,1.42,;-5.21,2.24,;-3.23,2.8,;-4.58,.14,;-5.35,-1.19,;-6.89,-1.19,;-7.66,.14,;-6.89,1.48,;-5.35,1.48,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,)|
CN(C)CC1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-2.37,-7.98,;-1.65,-6.62,;-2.47,-5.32,;-.11,-6.57,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;-.11,-.77,;-1.65,-.72,;-.22,.77,;1.33,-.77,;.52,.54,;1.24,1.9,;2.78,1.95,;3.6,.64,;2.87,-.72,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
CNC1(CCC(CC1)(N(C)C)c1cccs1)c1ccccc1 |(3.99,-2.12,;2.61,-1.45,;1.33,-2.31,;-.21,-2.36,;-.93,-3.72,;-.11,-5.03,;1.43,-4.98,;2.15,-3.62,;-1.39,-5.89,;-2.21,-7.2,;-2.77,-5.22,;-.11,-6.57,;-1.36,-7.47,;-.88,-8.94,;.66,-8.94,;1.13,-7.47,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1cccs1 |(-2.21,-7.2,;-1.39,-5.89,;-2.77,-5.22,;-.11,-5.03,;-.93,-3.72,;-.21,-2.36,;1.33,-2.31,;2.15,-3.62,;1.43,-4.98,;2.61,-1.45,;3.99,-2.12,;3.43,-.14,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;-.11,-6.57,;-1.36,-7.47,;-.88,-8.94,;.66,-8.94,;1.13,-7.47,)|
CN(C)C1(CCC(C)(CNC(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(12.46,-4.05,;12.35,-2.52,;13.89,-2.57,;10.97,-1.84,;10.15,-.54,;8.61,-.59,;7.89,-1.95,;6.51,-1.27,;6.56,-2.72,;6.56,-4.26,;7.89,-5.03,;9.22,-4.26,;7.89,-6.57,;6.56,-7.34,;6.56,-8.88,;7.89,-9.65,;7.89,-11.19,;6.56,-11.96,;5.22,-11.19,;5.22,-9.65,;8.71,-3.26,;10.24,-3.2,;12.3,-1.07,;13.64,-1.84,;14.97,-1.07,;14.97,.47,;13.64,1.24,;13.64,2.78,;12.3,.47,)|
CC(NC(=O)C=Cc1ccccc1)C1CCC(CC1)(N(C)C)c1cccc(F)c1
CN(C)C1(CCC(C)(CNS(=O)(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;3.05,-9.78,;.33,-8.33,;.97,-10.41,;-.57,-10.47,;-1.29,-11.83,;-.48,-13.13,;-1.2,-14.49,;-2.74,-14.55,;-3.55,-13.24,;-2.83,-11.88,;.99,-4.26,;.99,-2.72,;3.31,-.77,;4.83,-1.04,;5.82,.14,;5.29,1.59,;3.78,1.86,;3.25,3.3,;2.79,.68,)|
CN(C)C1(CCC(C)(CNS(=O)(=O)\C=C\c2ccccc2)CC1)c1cccc(F)c1 |(14.7,-7.6,;15.38,-6.21,;16.68,-7.03,;14.51,-4.94,;14.46,-3.4,;13.1,-2.67,;11.8,-3.49,;10.93,-2.21,;10.26,-3.49,;9.49,-4.82,;7.95,-4.82,;7.95,-3.28,;6.41,-4.82,;7.95,-6.36,;6.61,-7.13,;6.61,-8.67,;7.95,-9.44,;7.95,-10.98,;6.61,-11.75,;5.28,-10.98,;5.28,-9.44,;11.85,-5.03,;13.21,-5.75,;16.05,-4.94,;16.82,-6.27,;18.36,-6.27,;19.13,-4.94,;18.36,-3.6,;19.13,-2.27,;16.82,-3.6,)|
CCCCC1(CCC(CC1)(NC)c1ccccc1)N(C)C |(5.23,-1.97,;3.69,-2.02,;2.87,-.72,;1.33,-.77,;.61,-2.13,;1.94,-2.9,;1.94,-4.44,;.61,-5.21,;-.72,-4.44,;-.72,-2.9,;-.11,-6.57,;-1.65,-6.62,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,;-.11,-.77,;-1.65,-.72,;.7,.54,)|
CCCCN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(8,-1.35,;6.66,-2.12,;5.33,-1.35,;3.99,-2.12,;2.66,-1.35,;3.57,-.11,;1.33,-2.12,;-.21,-2.07,;-1.03,-3.38,;-.31,-4.74,;1.23,-4.79,;2.05,-3.48,;-.41,-6.27,;.86,-7.13,;-1.14,-7.63,;-1.64,-5.51,;-1.64,-7.05,;-2.97,-7.82,;-4.31,-7.05,;-4.31,-5.51,;-2.97,-4.74,;1.43,-.59,;.16,.27,;.27,1.81,;1.65,2.48,;2.93,1.62,;2.82,.09,)|
CN(C)C1(CCC(CC1)(N(C)Cc1ccccc1)c1ccccc1)c1ccccc1 |(4.21,-3.03,;2.67,-3.08,;2.77,-1.54,;1.94,-4.44,;.61,-5.21,;.61,-6.75,;1.94,-7.52,;3.28,-6.75,;3.28,-5.21,;2.67,-8.88,;2.77,-10.42,;4.21,-8.93,;4.93,-10.29,;6.47,-10.35,;7.19,-11.71,;6.38,-13.01,;4.84,-12.96,;4.11,-11.6,;1.22,-8.88,;2.04,-10.19,;1.31,-11.55,;-.22,-11.6,;-1.04,-10.29,;-.32,-8.93,;1.22,-3.08,;-.32,-3.03,;-1.04,-1.67,;-.22,-.36,;1.31,-.41,;2.04,-1.77,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |(-13.9,3.85,;-13.9,2.31,;-15.43,2.47,;-12.56,1.54,;-11.84,.18,;-10.3,.13,;-9.49,1.43,;-10.21,2.79,;-11.75,2.85,;-8.15,.66,;-6.62,.5,;-8.15,-.88,;-9.49,-1.65,;-6.82,-1.65,;-6.82,-3.19,;-5.48,-3.96,;-5.48,-5.5,;-6.82,-6.27,;-8.15,-5.5,;-8.15,-3.96,;-5.48,-.88,;-5.48,.66,;-4.15,1.43,;-2.82,.66,;-2.82,-.88,;-4.15,-1.65,;-8.1,2.11,;-7.99,3.64,;-6.61,4.32,;-5.33,3.46,;-5.44,1.92,;-6.82,1.25,;-13.95,.87,;-14.06,-.67,;-15.44,-1.35,;-16.72,-.48,;-16.61,1.05,;-15.22,1.73,)|
CCCCC1(CCC(CC1)(N(C)C)c1ccccc1)N(C)C |(-2.56,-5.37,;-1.02,-5.32,;-.21,-6.62,;1.33,-6.57,;2.06,-5.21,;3.39,-4.44,;3.39,-2.9,;2.06,-2.13,;.72,-2.9,;.72,-4.44,;1.33,-.77,;-.21,-.72,;1.23,.77,;2.78,-.77,;1.96,.54,;2.69,1.9,;4.23,1.95,;5.04,.64,;4.32,-.72,;2.78,-6.57,;1.96,-7.88,;4.32,-6.62,)|
CNC1(CCC(CC2CCCC2)(CC1)N(C)C)c1ccccc1 |(8.28,-6.8,;8.5,-5.28,;7.29,-4.33,;6.76,-2.88,;5.24,-2.62,;4.25,-3.8,;2.92,-4.57,;2.92,-6.11,;4.16,-7.01,;3.69,-8.48,;2.15,-8.48,;1.67,-7.01,;4.78,-5.24,;6.3,-5.51,;3.26,-2.62,;3.79,-1.17,;1.75,-2.88,;8.75,-3.86,;9.07,-2.35,;10.53,-1.87,;11.68,-2.9,;11.36,-4.41,;9.89,-4.89,)|
CN(C)C1(CC2CCCC2)CCC(CC1)(N(C)C)c1ccccc1 |(1.64,-4.56,;.36,-3.7,;.47,-2.16,;-1.02,-4.37,;.31,-5.14,;.31,-6.68,;1.56,-7.59,;1.08,-9.05,;-.46,-9.05,;-.93,-7.59,;-1.75,-3.01,;-3.28,-2.96,;-4.1,-4.27,;-3.38,-5.63,;-1.84,-5.68,;-5.48,-4.94,;-5.59,-6.48,;-7.02,-5,;-5.43,-3.5,;-6.77,-4.27,;-8.1,-3.5,;-8.1,-1.96,;-6.77,-1.19,;-5.43,-1.96,)|
CN(C)C1(CC2CCCC2)CCC(CC1)(N(C)C)c1ccccc1 |(-2.61,.68,;-4.13,.95,;-4.66,2.4,;-5.12,-.23,;-3.79,-1,;-3.79,-2.54,;-2.54,-3.45,;-3.02,-4.91,;-4.56,-4.91,;-5.03,-3.45,;-5.65,-1.68,;-7.16,-1.95,;-8.15,-.77,;-7.63,.68,;-6.11,.95,;-9.62,-.29,;-9.94,1.22,;-11.15,-.45,;-9.37,-1.71,;-9.15,-3.24,;-10.37,-4.19,;-11.79,-3.61,;-12.01,-2.09,;-10.79,-1.14,)|
CN(C)C1(CC2CCCC2)CCC(CC1)(N(C)C(=O)\C=C\c1ccccc1)c1ccccc1 |(6.46,1.19,;6.57,-.35,;5.29,-1.21,;7.95,-1.02,;6.62,-1.79,;6.62,-3.33,;7.86,-4.24,;7.39,-5.7,;5.85,-5.7,;5.37,-4.24,;8.77,-2.33,;10.31,-2.27,;11.03,-.91,;10.21,.39,;8.67,.34,;12.36,-.14,;13.89,.02,;12.36,1.4,;13.7,2.17,;11.03,2.17,;11.03,3.71,;9.7,4.48,;8.36,3.71,;7.03,4.48,;7.03,6.02,;8.36,6.79,;9.7,6.02,;12.41,-1.59,;13.69,-.73,;15.07,-1.4,;15.18,-2.94,;13.91,-3.8,;12.52,-3.13,)|
CN(C)C1(CCC(CC1)(N(C)CC(O)=O)c1ccccc1)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;3.6,.64,;5.13,.7,;2.78,1.95,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
CNC1(CCC(CC1)(N(C)C)c1ccc(OC)cc1)c1ccccc1 |(4.32,-6.62,;2.78,-6.57,;2.06,-5.21,;3.39,-4.44,;3.39,-2.9,;2.06,-2.13,;.72,-2.9,;.72,-4.44,;1.33,-.77,;-.21,-.72,;1.23,.77,;2.78,-.77,;1.96,.54,;2.69,1.9,;4.23,1.95,;4.95,3.31,;4.13,4.62,;5.04,.64,;4.32,-.72,;1.33,-6.57,;2.15,-7.88,;1.43,-9.24,;-.11,-9.29,;-.93,-7.98,;-.21,-6.62,)|
CNC1(CCC(CC1)(N(C)C)c1ccc(cc1)C(F)(F)F)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;-2.28,3.31,;-3,4.67,;-3.64,2.59,;-.92,4.03,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccc(cc1)C(F)(F)F)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;-2.28,3.31,;-3,4.67,;-3.64,2.59,;-.92,4.03,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
COc1ccc(cc1)C1(CCC(CC1)(N(C)C)c1ccccc1)N(C)C |(4.13,4.62,;4.95,3.31,;4.23,1.95,;2.69,1.9,;1.96,.54,;2.78,-.77,;4.32,-.72,;5.04,.64,;2.06,-2.13,;3.39,-2.9,;3.39,-4.44,;2.06,-5.21,;.72,-4.44,;.72,-2.9,;2.78,-6.57,;2.89,-8.11,;4.32,-6.62,;1.33,-6.57,;2.15,-7.88,;1.43,-9.24,;-.11,-9.29,;-.93,-7.98,;-.21,-6.62,;1.33,-.77,;-.21,-.72,;1.23,.77,)|
CN(CC1(C)CCC(CC1)(N(C)C)c1ccccc1)c1c[nH]c2ccccc12 |(2.68,2.55,;1.65,1.41,;.14,1.73,;-.33,3.19,;-1.28,1.98,;-1.51,4.18,;-1.24,5.7,;.2,6.23,;1.38,5.24,;1.11,3.72,;1.15,7.44,;2.68,7.22,;1.52,8.93,;-.27,7.69,;-1.78,8.01,;-2.26,9.48,;-1.23,10.62,;.28,10.3,;.76,8.83,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,)|
CN(Cc1c[nH]c2ccccc12)CC1(C)CCC(CC1)(N(C)C)c1ccccc1 |(-.89,.58,;.14,1.73,;1.65,1.41,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;-.33,3.19,;-1.84,3.51,;-1.89,1.97,;-3.36,3.3,;-4.31,4.51,;-3.74,5.94,;-2.21,6.15,;-1.26,4.94,;-4,7.46,;-2.82,8.45,;-4.86,8.73,;-5.14,6.57,;-6.39,5.66,;-7.79,6.29,;-7.96,7.82,;-6.71,8.72,;-5.3,8.1,)|
CN(C)C1(CCC(CC1)(N(C)Cc1cccnc1)c1ccccc1)c1ccccc1 |(-6.47,7.63,;-4.93,7.57,;-5.04,9.11,;-4.21,6.21,;-2.87,5.44,;-2.87,3.9,;-4.21,3.13,;-5.54,3.9,;-5.54,5.44,;-4.93,1.77,;-5.04,.24,;-6.47,1.72,;-7.19,.36,;-6.38,-.95,;-7.1,-2.31,;-8.64,-2.36,;-9.45,-1.05,;-8.73,.31,;-3.48,1.77,;-1.94,1.72,;-1.22,.36,;-2.04,-.95,;-3.58,-.89,;-4.3,.47,;-3.48,7.57,;-4.3,8.88,;-3.58,10.24,;-2.04,10.29,;-1.22,8.99,;-1.94,7.63,)|
CN(C)C1(CCC(CC1)(N(C)Cc1cccnc1)c1ccccc1)c1ccccc1 |(-6.47,7.63,;-4.93,7.57,;-5.04,9.11,;-4.21,6.21,;-2.87,5.44,;-2.87,3.9,;-4.21,3.13,;-5.54,3.9,;-5.54,5.44,;-4.93,1.77,;-4.93,.23,;-6.47,1.72,;-7.19,.36,;-6.38,-.95,;-7.1,-2.31,;-8.64,-2.36,;-9.45,-1.05,;-8.73,.31,;-3.48,1.77,;-1.94,1.72,;-1.22,.36,;-2.04,-.95,;-3.58,-.89,;-4.3,.47,;-3.48,7.57,;-4.3,8.88,;-3.58,10.24,;-2.04,10.29,;-1.22,8.99,;-1.94,7.63,)|
CNc1nc(NC)nc(n1)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-7.4,-9.45,;-5.86,-9.4,;-5.13,-8.04,;-5.95,-6.73,;-5.23,-5.37,;-6.04,-4.07,;-7.58,-4.12,;-3.69,-5.32,;-2.87,-6.62,;-3.6,-7.98,;-1.33,-6.57,;-1.44,-8.11,;-.61,-5.21,;.72,-4.44,;.72,-2.9,;-.61,-2.13,;-1.94,-2.9,;-1.94,-4.44,;-1.33,-.77,;-2.87,-.72,;-1.44,.77,;.11,-.77,;-.7,.54,;.02,1.9,;1.56,1.95,;2.37,.64,;1.65,-.72,;.11,-6.57,;1.65,-6.62,;2.37,-7.98,;1.56,-9.29,;.02,-9.24,;-.7,-7.88,)|
CNc1nc(Oc2ccc(OC)cc2)nc(n1)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(2.16,-6.79,;1.44,-8.15,;2.26,-9.46,;1.53,-10.81,;2.35,-12.12,;1.63,-13.48,;.09,-13.53,;-.64,-14.89,;-2.17,-14.95,;-2.99,-13.64,;-4.53,-13.7,;-5.25,-15.06,;-2.27,-12.28,;-.73,-12.23,;3.89,-12.07,;4.61,-10.71,;3.8,-9.4,;6.15,-10.65,;6.04,-12.19,;6.87,-9.29,;8.21,-8.52,;8.21,-6.98,;6.87,-6.21,;5.54,-6.98,;5.54,-8.52,;6.15,-4.85,;4.61,-4.8,;6.04,-3.32,;7.6,-4.85,;6.78,-3.55,;7.5,-2.19,;9.04,-2.13,;9.86,-3.44,;9.14,-4.8,;7.6,-10.65,;9.14,-10.71,;9.86,-12.07,;9.04,-13.37,;7.5,-13.32,;6.78,-11.96,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)c1ccn(C)n1)c1ccccc1)c1ccccc1 |(6.92,4.5,;8.39,4.02,;9.53,5.05,;8.71,2.51,;9.53,1.21,;8.8,-.15,;7.26,-.21,;6.45,1.1,;7.17,2.46,;7.26,-1.75,;6.64,-3.15,;8.6,-2.52,;9.93,-1.75,;8.6,-4.06,;7.35,-4.96,;7.83,-6.43,;9.37,-6.43,;10.27,-7.67,;9.84,-4.96,;5.99,-1.07,;6.09,-2.6,;4.82,-3.46,;3.43,-2.79,;3.33,-1.25,;4.6,-.39,;10.14,3.09,;10.35,4.62,;11.78,5.19,;12.99,4.24,;12.78,2.72,;11.35,2.14,)|
CCCC(=O)OC1(CCC(CC1)(N(C)C)c1cccc(F)c1)c1[nH]c2ccccc2c1C |(-7.7,1.14,;-6.25,1.67,;-5.07,.68,;-3.63,1.2,;-3.36,2.72,;-2.45,.21,;-2.71,-1.3,;-4.16,-.78,;-5.34,-1.77,;-5.07,-3.28,;-3.63,-3.81,;-2.45,-2.82,;-5.34,-4.8,;-4.16,-5.79,;-6.79,-5.33,;-6.61,-3.28,;-7.38,-4.62,;-8.92,-4.62,;-9.69,-3.28,;-8.92,-1.95,;-9.69,-.62,;-7.38,-1.95,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-.74,-4.01,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;.99,-4.26,;.99,-2.72,;3.05,-6.39,;3.15,-7.93,;4.59,-6.44,;5.4,-5.14,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;9.11,-9.27,;10.65,-9.32,;9.16,-7.73,;9.06,-10.81,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(n2)N(C)C2(CCC(CC2)(N(C)C)c2ccccc2)c2ccccc2)cc1 |(-8.51,-2.38,;-7.18,-3.15,;-7.18,-4.69,;-5.84,-5.46,;-5.84,-7,;-7.18,-7.77,;-7.18,-9.31,;-8.51,-10.08,;-9.84,-9.31,;-11.18,-10.08,;-12.51,-9.31,;-12.51,-7.77,;-13.84,-7,;-13.84,-5.46,;-12.51,-4.69,;-12.51,-3.15,;-11.18,-2.38,;-11.18,-5.46,;-11.18,-7,;-11.18,-11.62,;-9.84,-12.39,;-8.51,-11.62,;-9.84,-13.93,;-8.51,-14.7,;-11.18,-14.7,;-12.17,-15.88,;-13.68,-15.61,;-14.21,-14.16,;-13.22,-12.98,;-11.7,-13.25,;-15.42,-13.21,;-15.21,-11.69,;-16.92,-12.84,;-15.67,-14.64,;-15.99,-16.14,;-17.46,-16.62,;-18.6,-15.59,;-18.28,-14.08,;-16.82,-13.61,;-10.19,-15.88,;-8.67,-15.61,;-7.68,-16.79,;-8.21,-18.24,;-9.72,-18.5,;-10.71,-17.32,;-8.51,-7,;-8.51,-5.46,)|
CN(C)C1(CCC(CC1)(N(C)Cc1ccn(C)n1)c1ccccc1)c1ccccc1 |(-.13,-15.77,;.49,-14.36,;1.83,-15.13,;-.41,-13.12,;-.52,-11.58,;-1.91,-10.91,;-3.18,-11.77,;-3.07,-13.3,;-1.69,-13.98,;-4.09,-10.52,;-5.42,-9.75,;-3.46,-9.11,;-4.37,-7.87,;-5.91,-7.87,;-6.38,-6.4,;-5.14,-5.5,;-5.14,-3.96,;-3.89,-6.4,;-4.72,-11.82,;-5.44,-13.18,;-6.98,-13.23,;-7.8,-11.93,;-7.08,-10.57,;-5.54,-10.52,;1.13,-13.06,;1.85,-11.7,;3.39,-11.65,;4.2,-12.96,;3.48,-14.32,;1.94,-14.37,)|
COc1ccc(cc1)C(=O)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(6.66,-13.19,;7.48,-11.88,;6.75,-10.52,;7.57,-9.22,;6.85,-7.86,;5.31,-7.8,;4.49,-9.11,;5.22,-10.47,;4.59,-6.44,;5.4,-5.14,;3.05,-6.39,;3.15,-7.93,;2.32,-5.03,;3.66,-4.26,;3.66,-2.72,;2.32,-1.95,;.99,-2.72,;.99,-4.26,;1.33,-.77,;-.18,-1.04,;1.86,.68,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,)|
COc1ccc(CN(C)C2(CCC(CC2)(N(C)C)c2ccccc2)c2ccccc2)cc1 |(-6.66,-10.79,;-5.33,-10.02,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-5.33,-5.4,;-5.33,-3.86,;-3.99,-3.09,;-3.37,-4.49,;-3.99,-1.55,;-5.53,-1.49,;-6.26,-.13,;-5.44,1.17,;-3.9,1.12,;-3.18,-.24,;-5.44,2.71,;-4.11,3.48,;-6.07,4.12,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.66,-6.17,;-6.66,-7.71,)|
COc1ccc(CN(C)C2(CCC(CC2)(N(C)C)c2ccccc2)c2ccccc2)cc1 |(-6.66,-10.79,;-5.33,-10.02,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-5.33,-5.4,;-5.33,-3.86,;-3.99,-3.09,;-3.37,-4.49,;-3.99,-1.55,;-5.53,-1.49,;-6.26,-.13,;-5.44,1.17,;-3.9,1.12,;-3.18,-.24,;-5.44,2.71,;-6.07,4.12,;-3.95,3.11,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.66,-6.17,;-6.66,-7.71,)|
CNC1(CCC(CC1)(N(C)C)c1cccc(F)c1)c1[nH]c2ccccc2c1C |(-.13,-3.96,;.54,-2.58,;-.32,-1.3,;-.37,.24,;-1.73,.96,;-3.04,.14,;-2.99,-1.4,;-1.63,-2.12,;-3.9,1.42,;-5.21,2.24,;-3.23,2.8,;-4.58,.14,;-5.35,-1.19,;-6.89,-1.19,;-7.66,.14,;-6.89,1.48,;-7.66,2.81,;-5.35,1.48,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,)|
CN(C)C1(CCC(CC1)(N1CCCCC1)c1[nH]c2ccccc2c1C)c1ccccc1 |(-3.23,2.8,;-3.9,1.42,;-5.21,2.24,;-3.04,.14,;-2.99,-1.4,;-1.63,-2.12,;-.32,-1.3,;-.37,.24,;-1.73,.96,;.1,-2.78,;-.96,-3.89,;-.54,-5.37,;.95,-5.74,;2.02,-4.64,;1.6,-3.16,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,;-4.58,.14,;-5.35,-1.19,;-6.89,-1.19,;-7.66,.14,;-6.89,1.48,;-5.35,1.48,)|
CN(C)C1(CCC(CC1)(N(C)Cc1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-2.66,-8.48,;-1.33,-9.25,;-1.89,-7.14,;-3.43,-9.81,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
CN(C)C1(CCC(CC1)(N(C)Cc1cccc(c1)C(F)(F)F)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-3.99,-6.17,;-2.66,-8.48,;-1.33,-9.25,;-1.89,-7.14,;-3.43,-9.81,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
CN(C)C1(CCC(CC1)(N(C)Cc1cccc(F)c1)c1ccccc1)c1ccccc1 |(-4.11,3.48,;-5.44,2.71,;-6.07,4.12,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)|
CN(C)C1(CCC(CC1)(N(C)CCO)c1ccccc1)c1ccccc1 |(-1.65,-6.62,;-.11,-6.57,;-.22,-8.11,;.61,-5.21,;1.94,-4.44,;1.94,-2.9,;.61,-2.13,;-.72,-2.9,;-.72,-4.44,;1.33,-.77,;1.44,.77,;2.87,-.72,;3.6,.64,;5.13,.7,;-.11,-.77,;-1.65,-.72,;-2.37,.64,;-1.56,1.95,;-.02,1.9,;.7,.54,;1.33,-6.57,;2.87,-6.62,;3.6,-7.98,;2.78,-9.29,;1.24,-9.24,;.52,-7.88,)|
CN(C)C(=O)CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(9.96,-5.07,;8.62,-4.3,;8.62,-2.76,;7.29,-5.07,;7.29,-6.61,;5.95,-4.3,;4.62,-5.07,;5.53,-6.31,;3.29,-4.3,;4.01,-2.94,;3.19,-1.63,;1.66,-1.69,;.93,-3.05,;1.75,-4.35,;.19,-1.21,;-.95,-2.24,;-.13,.3,;1.87,-.16,;.66,.79,;.87,2.31,;2.3,2.89,;3.51,1.94,;3.3,.42,;3.39,-5.83,;4.78,-6.51,;4.89,-8.05,;3.61,-8.91,;2.23,-8.23,;2.12,-6.7,)|
CNC(=O)CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1 |(-6.72,-6.08,;-5.38,-5.31,;-4.05,-6.08,;-4.05,-7.62,;-2.72,-5.31,;-1.38,-6.08,;-2.29,-7.32,;-.05,-5.31,;-.77,-3.95,;.04,-2.64,;1.58,-2.69,;2.31,-4.05,;1.49,-5.36,;2.92,-1.92,;4.25,-2.69,;3.82,-.68,;1.69,-1.16,;.41,-.3,;.52,1.24,;1.91,1.91,;3.18,1.05,;3.07,-.48,;-.16,-6.84,;1.12,-7.7,;1.01,-9.24,;-.37,-9.92,;-1.65,-9.05,;-1.54,-7.52,)|
CN(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1[nH]c2ccc(F)cc2c1C |(-.13,-3.96,;.54,-2.58,;1.85,-3.4,;-.32,-1.3,;-.37,.24,;-1.73,.96,;-3.04,.14,;-2.99,-1.4,;-1.63,-2.12,;-3.9,1.42,;-5.21,2.24,;-3.23,2.8,;-4.58,.14,;-5.35,-1.19,;-6.89,-1.19,;-7.66,.14,;-6.89,1.48,;-5.35,1.48,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,)|
CN(C)c1nc(nc(n1)N(C)C1(CCC(CC1)(N(C)C)c1ccccc1)c1ccccc1)N(C)C |(-5.04,-10.7,;-5.86,-9.4,;-7.4,-9.45,;-5.13,-8.04,;-5.95,-6.73,;-5.23,-5.37,;-3.69,-5.32,;-2.87,-6.62,;-3.6,-7.98,;-1.33,-6.57,;-1.44,-8.11,;-.61,-5.21,;.72,-4.44,;.72,-2.9,;-.61,-2.13,;-1.94,-2.9,;-1.94,-4.44,;-1.33,-.77,;-2.87,-.72,;-1.44,.77,;.11,-.77,;-.7,.54,;.02,1.9,;1.56,1.95,;2.37,.64,;1.65,-.72,;.11,-6.57,;1.65,-6.62,;2.37,-7.98,;1.56,-9.29,;.02,-9.24,;-.7,-7.88,;-6.04,-4.07,;-5.32,-2.71,;-7.58,-4.12,)|
CN(C)C1(CCC(CC1)(N(C)CCCCO)c1ccccc1)c1ccccc1 |(4.26,-2.88,;2.92,-2.11,;3.83,-.86,;1.59,-2.88,;.05,-2.83,;-.77,-4.13,;-.04,-5.49,;1.5,-5.55,;2.31,-4.24,;-1.38,-6.26,;-2.28,-7.51,;-2.71,-5.49,;-4.04,-6.26,;-5.38,-5.49,;-6.71,-6.26,;-8.04,-5.49,;-.15,-7.03,;1.13,-7.89,;1.02,-9.43,;-.36,-10.1,;-1.64,-9.24,;-1.53,-7.7,;1.7,-1.34,;.42,-.48,;.53,1.05,;1.91,1.73,;3.19,.87,;3.08,-.67,)|
CN(C)C1(CCC(CC1)(N1CCCC1)c1[nH]c2ccc(F)cc2c1C)c1ccccc1 |(-3.23,2.8,;-3.9,1.42,;-5.21,2.24,;-3.04,.14,;-2.99,-1.4,;-1.63,-2.12,;-.32,-1.3,;-.37,.24,;-1.73,.96,;.1,-2.78,;1.55,-3.31,;1.5,-4.85,;.02,-5.27,;-.84,-4,;1.22,-1.3,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.65,1.41,;-4.58,.14,;-5.35,-1.19,;-6.89,-1.19,;-7.66,.14,;-6.89,1.48,;-5.35,1.48,)|
CN(C)C1(CCC(O)(CC1)c1ccccc1)c1ccccc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;.99,-4.26,;.99,-2.72,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;5.82,.14,;4.83,-1.04,)|
CN(C)C1(CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |(-.18,-1.04,;1.33,-.77,;1.86,.68,;2.32,-1.95,;3.66,-2.72,;3.66,-4.26,;2.32,-5.03,;3.05,-6.39,;.99,-4.26,;.99,-2.72,;1.6,-6.39,;2.42,-7.7,;1.69,-9.06,;.15,-9.11,;-.66,-7.8,;.06,-6.44,;3.31,-.77,;2.79,.68,;3.78,1.86,;5.29,1.59,;6.28,2.77,;5.82,.14,;4.83,-1.04,)|
CN(C)C1(CC2(C1)CN(CC(N)=O)C(=O)N2)c1ccccc1 |(-2.9,.08,;-1.41,-.32,;-1.01,-1.81,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.76,-.48,;4.23,,;5.47,-.91,;6.88,-.28,;7.04,1.25,;8.13,-1.18,;4.23,1.54,;5.47,2.45,;2.76,2.02,;-1.41,1.86,;-2.9,1.46,;-3.98,2.55,;-3.59,4.04,;-2.1,4.44,;-1.01,3.35,)|
CN(C)C1(CC2(C1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2)c1ccccc1 |(-2.9,.08,;-1.41,-.32,;-1.01,-1.81,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.76,-.48,;4.23,,;5.47,-.91,;6.88,-.28,;7.04,1.25,;8.13,-1.18,;9.53,-.56,;10.78,-1.46,;10.62,-2.99,;12.14,-3.21,;11.29,-4.38,;9.21,-3.62,;7.97,-2.72,;4.23,1.54,;5.47,2.45,;2.76,2.02,;-1.41,1.86,;-2.9,1.46,;-3.98,2.55,;-3.59,4.04,;-2.1,4.44,;-1.01,3.35,)|
COc1nc(ncc1N1CC2(CC(C2)(N(C)C)c2ccccc2)NC1=O)C#N |(8.45,1.88,;7.04,1.25,;6.88,-.28,;8.13,-1.18,;7.97,-2.72,;6.56,-3.34,;5.31,-2.44,;5.47,-.91,;4.23,,;2.76,-.48,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.41,-.32,;-2.9,.08,;-1.01,-1.81,;-1.41,1.86,;-2.9,1.46,;-3.98,2.55,;-3.59,4.04,;-2.1,4.44,;-1.01,3.35,;2.76,2.02,;4.23,1.54,;5.47,2.45,;9.21,-3.62,;10.46,-4.53,)|
CN(C)[C@@]1(C[C@@]2(C1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2)c1ccccc1 |r,wU:5.4,wD:3.2,(3.7,-6.2,;3.7,-4.66,;5.04,-3.89,;2.37,-3.89,;1.28,-2.8,;2.37,-1.71,;3.46,-2.8,;1.13,-.81,;1.6,.66,;.7,1.9,;-.84,1.74,;-1.46,.34,;-1.74,2.99,;-1.11,4.4,;-2.02,5.64,;-3.55,5.48,;-3.95,6.97,;-5.04,5.88,;-4.18,4.07,;-3.27,2.83,;3.14,.66,;4.05,1.9,;3.62,-.81,;1.04,-4.66,;-.3,-3.89,;-1.63,-4.66,;-1.63,-6.2,;-.3,-6.97,;1.04,-6.2,)|
COc1nc(ncc1N1C[C@]2(C[C@](C2)(N(C)C)c2ccccc2)NC1=O)C#N |r,wU:10.11,wD:12.15,(-4.02,.22,;-2.48,.38,;-1.86,1.78,;-2.76,3.03,;-2.14,4.44,;-.61,4.6,;.3,3.35,;-.33,1.95,;.58,.7,;.1,-.77,;1.35,-1.67,;.26,-2.76,;1.35,-3.85,;2.44,-2.76,;2.68,-4.62,;2.68,-6.16,;4.02,-3.85,;.01,-4.62,;-1.32,-3.85,;-2.65,-4.62,;-2.65,-6.16,;-1.32,-6.93,;.01,-6.16,;2.59,-.77,;2.12,.7,;3.02,1.95,;-3.04,5.68,;-3.95,6.93,)|
CN(C)C1(CC2(C1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1)c1ccccc1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;5.47,2.45,;5.31,3.98,;3.91,4.6,;6.56,4.88,;6.4,6.41,;7.64,7.32,;9.05,6.69,;9.73,8.08,;10.58,6.91,;9.21,5.16,;7.97,4.26,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.86,-3.17,;4.78,-4.7,;3.24,-4.62,;-1.63,1.57,;-2.99,.84,;-4.3,1.64,;-4.26,3.18,;-2.9,3.92,;-1.59,3.11,)|
CN(C)[C@@]1(C[C@@]2(C1)CN(CC(=O)N1CCS(=O)(=O)CC1)C(=O)N2CC1CCC1)c1ccccc1 |r,wU:5.4,wD:3.2,(1.66,-6.2,;2.06,-4.71,;3.54,-4.31,;.97,-3.62,;-.12,-2.53,;.97,-1.44,;2.06,-2.53,;-.28,-.54,;.2,.93,;-.71,2.17,;-2.24,2.01,;-2.86,.6,;-3.14,3.26,;-2.52,4.66,;-3.42,5.91,;-4.95,5.75,;-4.95,7.29,;-6.44,6.15,;-5.58,4.34,;-4.68,3.1,;1.74,.93,;2.64,2.17,;2.21,-.54,;3.68,-1.02,;4.82,.02,;6.36,-.07,;6.44,1.47,;4.9,1.55,;-.12,-4.71,;-1.61,-4.31,;-2.7,-5.4,;-2.3,-6.89,;-.81,-7.29,;.28,-6.2,)|
CN(C)[C@@]1(C[C@@]2(C1)CN(CC(N)=O)C(=O)N2CC1CCC1)c1ccccc1 |r,wU:5.4,wD:3.2,(.72,-4.21,;.72,-2.67,;2.05,-1.9,;-.61,-1.9,;-1.7,-.81,;-.61,.28,;.48,-.81,;-1.86,1.18,;-1.38,2.65,;-2.29,3.89,;-3.82,3.73,;-4.73,4.98,;-4.45,2.33,;.16,2.65,;1.06,3.89,;.63,1.18,;2.1,.71,;3.19,1.8,;4.73,1.8,;4.73,3.34,;3.19,3.34,;-1.95,-2.67,;-3.28,-1.9,;-4.61,-2.67,;-4.61,-4.21,;-3.28,-4.98,;-1.95,-4.21,)|
CN(C)C1(CC2(C1)CN(CC(N)=O)C(=O)N2CC1CCC1)c1ccccc1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;5.47,2.45,;5.31,3.98,;6.56,4.88,;3.91,4.6,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.86,-3.17,;4.78,-4.7,;3.24,-4.62,;-1.63,1.57,;-2.99,.84,;-4.3,1.64,;-4.26,3.18,;-2.9,3.92,;-1.59,3.11,)|
COc1nc(ncc1N1C[C@]2(C[C@@](C2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.11,12.15,(-5.42,.22,;-3.89,.38,;-3.26,1.78,;-4.17,3.03,;-3.54,4.44,;-2.01,4.6,;-1.1,3.35,;-1.73,1.95,;-.82,.7,;-1.3,-.77,;-.05,-1.67,;-1.14,-2.76,;-.05,-3.85,;1.03,-2.76,;1.28,-4.62,;1.28,-6.16,;2.61,-3.85,;-1.39,-4.62,;-2.72,-3.85,;-4.06,-4.62,;-4.06,-6.16,;-2.72,-6.93,;-1.39,-6.16,;1.19,-.77,;2.66,-1.24,;3.8,-.21,;5.34,-.29,;5.42,1.25,;3.88,1.33,;.72,.7,;1.62,1.95,;-4.45,5.68,;-5.35,6.93,)|
COc1nc(ncc1N1C[C@]2(C[C@](C2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.11,wD:12.15,(-5.35,.22,;-3.82,.38,;-3.19,1.78,;-4.1,3.03,;-3.47,4.44,;-1.94,4.6,;-1.04,3.35,;-1.66,1.95,;-.76,.7,;-1.23,-.77,;.01,-1.67,;-1.08,-2.76,;.01,-3.85,;1.1,-2.76,;1.35,-4.62,;1.35,-6.16,;2.68,-3.85,;-1.32,-4.62,;-2.65,-3.85,;-3.99,-4.62,;-3.99,-6.16,;-2.65,-6.93,;-1.32,-6.16,;1.26,-.77,;2.72,-1.24,;3.81,-.15,;5.35,-.15,;5.35,1.39,;3.81,1.39,;.78,.7,;1.69,1.95,;-4.38,5.68,;-5.28,6.93,)|
CN(C)C1(CC2(C1)CN(C(=O)N2)c1cnc(nc1C)N1CCOCC1)c1ccccc1 |(-2.9,.08,;-1.41,-.32,;-1.01,-1.81,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.76,-.48,;4.23,,;4.23,1.54,;5.47,2.45,;2.76,2.02,;5.47,-.91,;5.31,-2.44,;6.56,-3.34,;7.97,-2.72,;8.13,-1.18,;6.88,-.28,;7.04,1.25,;9.21,-3.62,;10.62,-2.99,;11.87,-3.9,;11.7,-5.43,;10.3,-6.06,;9.05,-5.15,;-1.41,1.86,;-2.9,1.46,;-3.98,2.55,;-3.59,4.04,;-2.1,4.44,;-1.01,3.35,)|
CN(C)C1(CC2(C1)CN(C(=O)N2)c1cnc(cc1C)N1CCC1)c1ccccc1 |(-1.59,3.11,;-1.63,1.57,;-3.15,1.29,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;5.47,-.91,;2.76,-.48,;5.47,2.45,;5.31,3.98,;6.56,4.88,;7.97,4.26,;8.13,2.72,;6.88,1.82,;7.04,.29,;9.21,5.16,;9.45,6.68,;10.97,6.44,;10.73,4.92,;-1.63,-.03,;-1.59,-1.57,;-2.9,-2.38,;-4.26,-1.64,;-4.3,-.1,;-2.99,.7,)|
CN(C)C1(CC2(C1)CN(C(=O)N2CC1CC1)c1cnc(cc1C)C#N)c1cccc(F)c1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.78,-3.56,;3.64,-4.59,;5.47,2.45,;6.88,1.82,;8.13,2.72,;7.97,4.26,;6.56,4.88,;5.31,3.98,;3.91,4.6,;9.21,5.16,;10.46,6.07,;-1.63,1.57,;-2.99,.84,;-4.3,1.64,;-4.26,3.18,;-2.9,3.92,;-2.86,5.46,;-1.59,3.11,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1ncc(cc1C)C#N)c1cccc(F)c1 |r,wU:5.5,3.2,(3.17,2.04,;3.57,.55,;5.06,.15,;2.48,-.54,;1.4,-1.63,;.31,-.54,;1.4,.55,;-.46,.79,;-1.97,.47,;-2.13,-1.06,;-3.46,-1.83,;-.72,-1.68,;-.4,-3.19,;-1.55,-4.22,;-3.05,-4.54,;-2.02,-5.69,;-3.11,1.5,;-4.58,1.03,;-5.72,2.06,;-5.4,3.57,;-3.94,4.04,;-2.79,3.01,;-1.33,3.49,;-6.55,4.6,;-7.64,5.69,;3.57,-1.63,;3.17,-3.12,;4.26,-4.2,;5.75,-3.81,;6.15,-2.32,;7.64,-1.92,;5.06,-1.23,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1ccc(OC(F)(F)F)cn1)c1cccc(F)c1 |r,wU:5.5,3.2,(3.93,2.3,;4.33,.82,;5.82,.42,;3.24,-.27,;2.16,-1.36,;1.07,-.27,;2.16,.82,;.3,1.06,;-1.21,.74,;-1.37,-.79,;-2.7,-1.56,;.04,-1.42,;.36,-2.92,;-.79,-3.95,;-2.29,-4.27,;-1.26,-5.42,;-2.35,1.77,;-2.03,3.28,;-3.18,4.31,;-4.64,3.83,;-5.79,4.86,;-7.25,4.39,;-7.57,2.88,;-8.4,5.42,;-6.16,3.3,;-4.96,2.33,;-3.82,1.3,;4.33,-1.36,;3.93,-2.85,;5.02,-3.94,;6.51,-3.54,;6.91,-2.05,;8.4,-1.65,;5.82,-.96,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2)c1cnc(cc1C)N1CCOCC1)c1ccccc1 |r,wU:3.2,wD:5.4,(7.04,.25,;5.5,.25,;4.73,1.59,;4.73,-1.08,;3.65,-2.17,;2.56,-1.08,;3.65,.01,;1.65,.17,;.19,-.31,;.19,-1.85,;-1.06,-2.75,;1.65,-2.33,;-1.15,.46,;-2.48,-.31,;-3.81,.46,;-3.81,2,;-2.48,2.77,;-1.15,2,;.19,2.77,;-5.15,2.77,;-6.48,2,;-7.81,2.77,;-7.81,4.31,;-6.48,5.08,;-5.15,4.31,;5.5,-2.41,;4.73,-3.75,;5.5,-5.08,;7.04,-5.08,;7.81,-3.75,;7.04,-2.41,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2)c1cnc(cc1C)C(C)(C)O)c1ccccc1 |r,wU:3.2,wD:5.4,(6.38,.64,;4.84,.64,;4.07,1.97,;4.07,-.69,;2.98,-1.78,;1.89,-.69,;2.98,.39,;.99,.55,;-.48,.08,;-.48,-1.46,;-1.73,-2.37,;.99,-1.94,;-1.81,.85,;-3.15,.08,;-4.48,.85,;-4.48,2.39,;-3.15,3.16,;-1.81,2.39,;-.48,3.16,;-5.81,3.16,;-7.15,2.39,;-7.15,3.93,;-5.81,4.7,;4.84,-2.03,;4.07,-3.36,;4.84,-4.7,;6.38,-4.7,;7.15,-3.36,;6.38,-2.03,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2)c1ccc(cc1C)C(C)(C)O)c1ccccc1 |r,wU:3.2,wD:5.4,(6.38,.64,;4.84,.64,;4.07,1.97,;4.07,-.69,;2.98,-1.78,;1.89,-.69,;2.98,.39,;.99,.55,;-.48,.08,;-.48,-1.46,;-1.73,-2.37,;.99,-1.94,;-1.81,.85,;-3.15,.08,;-4.48,.85,;-4.48,2.39,;-3.15,3.16,;-1.81,2.39,;-.48,3.16,;-5.81,3.16,;-7.15,2.39,;-7.15,3.93,;-5.81,4.7,;4.84,-2.03,;4.07,-3.36,;4.84,-4.7,;6.38,-4.7,;7.15,-3.36,;6.38,-2.03,)|
CN(C)C1(CC2(C1)CN(C(=O)N2)c1cnc(cc1C)C(F)F)c1cccc(F)c1 |(-1.59,3.11,;-1.63,1.57,;-3.15,1.29,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;5.47,-.91,;2.76,-.48,;5.47,2.45,;5.31,3.98,;6.56,4.88,;7.97,4.26,;8.13,2.72,;6.88,1.82,;7.04,.29,;9.21,5.16,;9.05,6.69,;10.62,4.53,;-1.63,-.03,;-2.99,.7,;-4.3,-.1,;-4.26,-1.64,;-2.9,-2.38,;-2.86,-3.92,;-1.59,-1.57,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1(F)COC1)c1ccc(OC(F)(F)F)cn1)c1cccc(F)c1 |r,wU:5.5,3.2,(3.93,2.37,;4.33,.88,;5.82,.49,;3.24,-.21,;2.16,-1.29,;1.07,-.21,;2.16,.88,;.3,1.13,;-1.21,.81,;-1.37,-.72,;-2.7,-1.49,;.04,-1.35,;.36,-2.86,;-.73,-3.94,;.75,-4.34,;-2.27,-3.94,;-2.27,-5.48,;-.73,-5.48,;-2.35,1.84,;-2.03,3.35,;-3.18,4.38,;-4.64,3.9,;-5.79,4.93,;-7.25,4.45,;-7.57,2.95,;-8.4,5.48,;-6.16,3.37,;-4.96,2.39,;-3.82,1.36,;4.33,-1.29,;3.93,-2.78,;5.02,-3.87,;6.51,-3.47,;6.91,-1.98,;8.4,-1.59,;5.82,-.9,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1cnc(cc1C)C(F)F)c1cccc(F)c1 |r,wU:5.5,3.2,(3.36,1.83,;3.76,.34,;5.25,-.06,;2.67,-.75,;1.58,-1.84,;.49,-.75,;1.58,.34,;-.28,.59,;-1.78,.27,;-1.94,-1.27,;-3.28,-2.04,;-.54,-1.89,;-.22,-3.4,;-1.36,-4.43,;-2.87,-4.75,;-1.84,-5.89,;-2.93,1.3,;-4.39,.82,;-5.54,1.85,;-5.22,3.36,;-3.75,3.83,;-2.61,2.8,;-1.14,3.28,;-6.36,4.39,;-6.04,5.89,;-7.82,3.91,;3.76,-1.84,;3.36,-3.32,;4.45,-4.41,;5.94,-4.01,;6.34,-2.53,;7.82,-2.13,;5.25,-1.44,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1(F)CC1)c1ccc(OC(F)(F)F)cn1)c1cccc(F)c1 |r,wU:5.5,3.2,(3.93,2.34,;4.33,.85,;5.82,.46,;3.24,-.23,;2.16,-1.32,;1.07,-.23,;2.16,.85,;.3,1.1,;-1.21,.78,;-1.37,-.75,;-2.7,-1.52,;.04,-1.38,;.36,-2.89,;-.79,-3.92,;-1.19,-2.43,;-2.12,-4.69,;-.79,-5.46,;-2.35,1.81,;-2.03,3.32,;-3.18,4.35,;-4.64,3.87,;-5.79,4.9,;-7.25,4.43,;-7.57,2.92,;-8.4,5.46,;-6.16,3.34,;-4.96,2.36,;-3.82,1.33,;4.33,-1.32,;3.93,-2.81,;5.02,-3.9,;6.51,-3.5,;6.91,-2.01,;8.4,-1.62,;5.82,-.92,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1(O)CCC1)c1ccc(OC(F)(F)F)cn1)c1cccc(F)c1 |r,wU:5.5,3.2,(3.93,2.37,;4.33,.88,;5.82,.49,;3.24,-.21,;2.16,-1.29,;1.07,-.21,;2.16,.88,;.3,1.13,;-1.21,.81,;-1.37,-.72,;-2.7,-1.49,;.04,-1.35,;.36,-2.86,;-.73,-3.94,;.75,-4.34,;-2.27,-3.94,;-2.27,-5.48,;-.73,-5.48,;-2.35,1.84,;-2.03,3.35,;-3.18,4.38,;-4.64,3.9,;-5.79,4.93,;-7.25,4.45,;-7.57,2.95,;-8.4,5.48,;-6.16,3.37,;-4.96,2.39,;-3.82,1.36,;4.33,-1.29,;3.93,-2.78,;5.02,-3.87,;6.51,-3.47,;6.91,-1.98,;8.4,-1.59,;5.82,-.9,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1ccc(cc1)C(C)(C)O)c1cccc(F)c1 |r,wU:5.5,3.2,(3.36,1.83,;3.76,.34,;5.25,-.06,;2.67,-.75,;1.58,-1.84,;.49,-.75,;1.58,.34,;-.28,.59,;-1.78,.27,;-1.94,-1.27,;-3.28,-2.04,;-.54,-1.89,;-.22,-3.4,;-1.36,-4.43,;-2.87,-4.75,;-1.84,-5.89,;-2.93,1.3,;-2.61,2.8,;-3.75,3.83,;-5.22,3.36,;-5.54,1.85,;-4.39,.82,;-6.36,4.39,;-7.82,3.91,;-7.69,5.16,;-6.04,5.89,;3.76,-1.84,;3.36,-3.32,;4.45,-4.41,;5.94,-4.01,;6.34,-2.53,;7.82,-2.13,;5.25,-1.44,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1(F)COC1)c1ccc(OC(F)(F)F)cn1)c1ccccc1 |r,wU:5.5,3.2,(4.68,2.37,;5.08,.88,;6.56,.49,;3.99,-.21,;2.9,-1.29,;1.81,-.21,;2.9,.88,;1.04,1.13,;-.47,.81,;-.63,-.72,;-1.96,-1.49,;.78,-1.35,;1.1,-2.86,;.01,-3.94,;1.5,-4.34,;-1.53,-3.94,;-1.53,-5.48,;.01,-5.48,;-1.61,1.84,;-1.29,3.35,;-2.44,4.38,;-3.9,3.9,;-5.04,4.93,;-6.51,4.45,;-6.83,2.95,;-7.65,5.48,;-5.42,3.37,;-4.22,2.39,;-3.08,1.36,;5.08,-1.29,;4.68,-2.78,;5.77,-3.87,;7.25,-3.47,;7.65,-1.98,;6.56,-.9,)|
CN(C)C1(CC2(C1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1)c1cccc(F)c1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;5.47,2.45,;5.31,3.98,;3.91,4.6,;3.28,3.2,;2.5,5.23,;4.53,6.01,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.78,-3.56,;3.64,-4.59,;-1.63,1.57,;-1.59,3.11,;-2.9,3.92,;-4.26,3.18,;-4.3,1.64,;-5.65,.91,;-2.99,.84,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1ccc(OC(F)(F)F)cn1)c1ccccc1 |r,wU:5.5,3.2,(4.68,2.3,;5.08,.82,;6.56,.42,;3.99,-.27,;2.9,-1.36,;1.81,-.27,;2.9,.82,;1.04,1.06,;-.47,.74,;-.63,-.79,;-1.96,-1.56,;.78,-1.42,;1.1,-2.92,;-.04,-3.95,;-1.55,-4.27,;-.52,-5.42,;-1.61,1.77,;-1.29,3.28,;-2.44,4.31,;-3.9,3.83,;-5.04,4.86,;-6.51,4.39,;-6.83,2.88,;-7.65,5.42,;-5.42,3.3,;-4.22,2.33,;-3.08,1.3,;5.08,-1.36,;4.68,-2.85,;5.77,-3.94,;7.25,-3.54,;7.65,-2.05,;6.56,-.96,)|
CN(C)[C@]1(C[C@@]2(C1)CN(CC1(F)COC1)C(=O)N2CC1CC1)c1cccc(F)c1 |r,wU:5.5,3.2,(2.71,3.96,;3.11,2.48,;4.59,2.08,;2.02,1.39,;.93,.3,;-.16,1.39,;.93,2.48,;-1.06,2.63,;-2.53,2.16,;-3.77,3.06,;-5.18,2.44,;-5.18,3.98,;-6.62,2.99,;-7.17,1.55,;-5.73,1,;-2.53,.62,;-3.77,-.29,;-1.06,.14,;-.59,-1.32,;-1.62,-2.47,;-3.08,-2.94,;-1.94,-3.98,;3.11,.3,;2.71,-1.19,;3.8,-2.28,;5.29,-1.88,;5.68,-.39,;7.17,.01,;4.59,.7,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1ccc(nc1)C1CC1)c1ccccc1 |r,wU:5.5,3.2,(4.13,1.85,;4.53,.36,;6.01,-.04,;3.44,-.73,;2.35,-1.82,;1.26,-.73,;2.35,.36,;.49,.61,;-1.02,.29,;-1.18,-1.25,;-2.51,-2.02,;.23,-1.87,;.55,-3.38,;-.6,-4.41,;-2.1,-4.73,;-1.07,-5.87,;-2.16,1.32,;-1.84,2.82,;-2.99,3.85,;-4.45,3.38,;-4.77,1.87,;-3.63,.84,;-5.6,4.41,;-6.07,5.87,;-7.1,4.73,;4.53,-1.82,;4.13,-3.3,;5.22,-4.39,;6.7,-3.99,;7.1,-2.51,;6.01,-1.42,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1cnc(cc1C)C1CC1)c1ccccc1 |r,wU:5.5,3.2,(4.13,1.85,;4.53,.36,;6.01,-.04,;3.44,-.73,;2.35,-1.82,;1.26,-.73,;2.35,.36,;.49,.61,;-1.02,.29,;-1.18,-1.25,;-2.51,-2.02,;.23,-1.87,;.55,-3.38,;-.6,-4.41,;-2.1,-4.73,;-1.07,-5.87,;-2.16,1.32,;-3.63,.84,;-4.77,1.87,;-4.45,3.38,;-2.99,3.85,;-1.84,2.82,;-.38,3.3,;-5.6,4.41,;-6.07,5.87,;-7.1,4.73,;4.53,-1.82,;4.13,-3.3,;5.22,-4.39,;6.7,-3.99,;7.1,-2.51,;6.01,-1.42,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1(F)COC1)c1cnc(cc1C)C1CC1)c1ccccc1 |r,wU:5.5,3.2,(4.13,1.92,;4.53,.43,;6.01,.03,;3.44,-.66,;2.35,-1.75,;1.26,-.66,;2.35,.43,;.49,.67,;-1.02,.35,;-1.18,-1.18,;-2.51,-1.95,;.23,-1.8,;.55,-3.31,;-.54,-4.4,;-1.13,-2.98,;-2.08,-4.4,;-2.08,-5.94,;-.54,-5.94,;-2.16,1.38,;-3.63,.91,;-4.77,1.94,;-4.45,3.44,;-2.99,3.92,;-1.84,2.89,;-.38,3.37,;-5.6,4.48,;-6.07,5.94,;-7.1,4.8,;4.53,-1.75,;4.13,-3.24,;5.22,-4.33,;6.7,-3.93,;7.1,-2.44,;6.01,-1.35,)|
COC(C)(C)CN1CC2(CC(C2)(N(C)C)c2cccc(F)c2)N(CC2CC2)C1=O |(3.75,6.13,;5.15,5.51,;5.31,3.98,;6.85,4.14,;3.78,3.82,;5.47,2.45,;4.23,1.54,;2.76,2.02,;1.86,.77,;.77,-.32,;-.32,.77,;.77,1.86,;-1.63,-.03,;-3.15,.25,;-1.59,-1.57,;-1.63,1.57,;-1.59,3.11,;-2.9,3.92,;-4.26,3.18,;-4.3,1.64,;-5.65,.91,;-2.99,.84,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.78,-3.56,;3.64,-4.59,;4.23,,;5.47,-.91,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1cncc(c1)C(F)(F)F)c1ccccc1 |r,wU:5.5,3.2,(2.99,1.17,;3.31,-.34,;4.78,-.82,;2.17,-1.37,;1.02,-2.4,;-.01,-1.26,;1.14,-.23,;-.63,.15,;-2.17,-.01,;-2.49,-1.52,;-3.89,-2.14,;-1.15,-2.29,;-.75,-3.77,;-1.84,-4.86,;-3.33,-5.26,;-2.24,-6.35,;-3.2,1.13,;-4.7,.81,;-5.73,1.96,;-5.26,3.42,;-3.75,3.74,;-2.72,2.6,;-3.28,5.21,;-1.77,5.53,;-4.31,6.35,;-2.25,4.06,;3.2,-2.52,;4.7,-2.2,;5.73,-3.34,;5.26,-4.8,;3.75,-5.12,;2.72,-3.98,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1cnc(C#N)c(c1)C(F)(F)F)c1ccccc1 |r,wU:5.5,3.2,(3.78,1.17,;4.1,-.34,;5.57,-.82,;2.96,-1.37,;1.81,-2.4,;.78,-1.26,;1.93,-.23,;.16,.15,;-1.37,-.01,;-1.69,-1.52,;-3.1,-2.14,;-.36,-2.29,;.04,-3.77,;-1.05,-4.86,;-2.54,-5.26,;-1.45,-6.35,;-2.4,1.13,;-3.91,.81,;-4.94,1.96,;-4.47,3.42,;-5.5,4.57,;-6.53,5.71,;-2.96,3.74,;-1.93,2.6,;-2.48,5.21,;-.98,5.53,;-3.51,6.35,;-1.45,4.06,;3.99,-2.52,;5.5,-2.2,;6.53,-3.34,;6.05,-4.8,;4.54,-5.12,;3.51,-3.98,)|
CN(C)C1(CC2(C1)CN(Cc1ccc(cc1)N1CCOCC1)C(=O)N2)c1cccc(F)c1 |(-2.9,.08,;-1.41,-.32,;-1.01,-1.81,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.76,-.48,;4.23,,;5.47,-.91,;6.88,-.28,;7.04,1.25,;8.45,1.88,;9.7,.97,;9.53,-.56,;8.13,-1.18,;11.1,1.6,;11.26,3.13,;12.67,3.76,;13.92,2.85,;13.75,1.32,;12.35,.7,;4.23,1.54,;5.47,2.45,;2.76,2.02,;-1.41,1.86,;-1.01,3.35,;-2.1,4.44,;-3.59,4.04,;-3.98,2.55,;-5.47,2.15,;-2.9,1.46,)|
CN(C)[C@]1(C[C@@]2(C1)CN(CC1(O)CCC1)C(=O)N2CC1CC1)c1cccc(F)c1 |r,wU:3.2,wD:5.4,(2.66,3.97,;3.06,2.48,;4.55,2.08,;1.97,1.39,;.89,.3,;-.2,1.39,;.89,2.48,;-1.11,2.64,;-2.57,2.16,;-3.91,2.93,;-5.24,2.16,;-5.44,3.69,;-6.73,2.56,;-7.13,1.07,;-5.64,.67,;-2.57,.62,;-3.82,-.28,;-1.11,.15,;-.63,-1.32,;-1.66,-2.46,;-3.13,-2.94,;-1.98,-3.97,;3.06,.3,;2.66,-1.18,;3.75,-2.27,;5.24,-1.87,;5.64,-.39,;7.13,.01,;4.55,.7,)|
CN(C)[C@]1(C[C@@]2(C1)CN(C(=O)N2CC1CC1)c1cnc(nc1)-c1ccncc1)c1ccccc1 |r,wU:5.5,3.2,(4.68,1.31,;5.08,-.17,;6.56,-.57,;3.99,-1.26,;2.9,-2.35,;1.81,-1.26,;2.9,-.17,;1.04,.07,;-.47,-.25,;-.63,-1.78,;-1.96,-2.55,;.78,-2.41,;1.1,-3.91,;-.04,-4.94,;-1.55,-5.26,;-.52,-6.41,;-1.61,.78,;-1.29,2.29,;-2.44,3.32,;-3.9,2.84,;-4.22,1.34,;-3.08,.31,;-5.04,3.87,;-4.72,5.38,;-5.87,6.41,;-7.33,5.93,;-7.65,4.43,;-6.51,3.4,;5.08,-2.35,;4.68,-3.84,;5.77,-4.93,;7.25,-4.53,;7.65,-3.04,;6.56,-1.95,)|
CN(C)C1(CC2(C1)CN(CCC#N)C(=O)N2CC1CC1)c1cccc(F)c1 |(-3.15,.25,;-1.63,-.03,;-1.59,-1.57,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;5.47,2.45,;5.31,3.98,;3.91,4.6,;2.5,5.23,;4.23,,;5.47,-.91,;2.76,-.48,;2.29,-1.94,;3.32,-3.09,;4.78,-3.56,;3.64,-4.59,;-1.63,1.57,;-1.59,3.11,;-2.9,3.92,;-4.26,3.18,;-4.3,1.64,;-5.65,.91,;-2.99,.84,)|
CN(C)[C@]1(C[C@@]2(C1)CN(CCC#N)C(=O)N2CC1CC1)c1ccccc1 |r,wU:3.2,wD:5.4,(3.8,3.97,;4.2,2.48,;5.68,2.08,;3.11,1.39,;2.02,.3,;.93,1.39,;2.02,2.48,;.03,2.64,;-1.44,2.16,;-2.77,2.93,;-4.11,2.16,;-5.44,2.93,;-6.77,3.7,;-1.44,.62,;-2.69,-.28,;.03,.15,;.5,-1.32,;-.53,-2.46,;-1.99,-2.94,;-.85,-3.97,;4.2,.3,;3.8,-1.18,;4.89,-2.27,;6.38,-1.87,;6.77,-.39,;5.68,.7,)|
CN(C)[C@]1(C[C@@]2(C1)CN(CC1(O)CCC1)C(=O)N2CC1CC1)c1ccccc1 |r,wU:3.2,wD:5.4,(3.41,3.97,;3.81,2.48,;5.29,2.08,;2.72,1.39,;1.63,.3,;.54,1.39,;1.63,2.48,;-.37,2.64,;-1.83,2.16,;-3.16,2.93,;-4.5,2.16,;-4.5,3.7,;-5.98,2.56,;-6.38,1.07,;-4.9,.67,;-1.83,.62,;-3.08,-.28,;-.37,.15,;.11,-1.32,;-.92,-2.46,;-2.38,-2.94,;-1.24,-3.97,;3.81,.3,;3.41,-1.18,;4.5,-2.27,;5.98,-1.87,;6.38,-.39,;5.29,.7,)|
CN(C)[C@]1(C[C@@]2(C1)CN(CCC1COC1)C(=O)N2CC1CC1)c1cccc(F)c1 |r,wU:3.2,wD:5.4,(3.33,3.74,;3.73,2.26,;5.22,1.86,;2.64,1.17,;1.55,.08,;.46,1.17,;1.55,2.26,;-.44,2.41,;-1.91,1.94,;-3.24,2.71,;-4.57,1.94,;-5.91,2.71,;-6.31,4.19,;-7.79,3.8,;-7.4,2.31,;-1.91,.4,;-3.15,-.51,;-.44,-.08,;.03,-1.54,;-1,-2.69,;-2.46,-3.16,;-1.32,-4.19,;3.73,.08,;3.33,-1.41,;4.42,-2.5,;5.91,-2.1,;6.31,-.61,;7.79,-.21,;5.22,.48,)|
CN(C)[C@]1(CC[C@]2(CN(CCCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.17,(7.13,-2.65,;7.9,-3.98,;9.44,-3.98,;7.13,-5.31,;6.36,-6.65,;4.82,-6.65,;4.05,-5.31,;3.14,-4.07,;1.68,-4.54,;.59,-3.46,;-.9,-3.85,;-1.99,-2.77,;-3.48,-3.16,;-4.57,-2.08,;-3.88,-4.65,;1.68,-6.08,;.43,-6.99,;3.14,-6.56,;3.62,-8.03,;2.59,-9.17,;1.05,-9.17,;1.05,-10.71,;2.59,-10.71,;4.82,-3.98,;6.36,-3.98,;7.9,-6.65,;7.13,-7.98,;7.9,-9.32,;9.44,-9.32,;10.21,-7.98,;9.44,-6.65,)|
COCCOCCOCCOCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:21.37,24.27,(-22.94,-2.97,;-21.6,-3.74,;-20.27,-2.97,;-18.94,-3.74,;-17.6,-2.97,;-16.27,-3.74,;-14.93,-2.97,;-13.6,-3.74,;-12.27,-2.97,;-10.93,-3.74,;-9.6,-2.97,;-8.27,-3.74,;-6.93,-2.97,;-5.6,-3.74,;-4.26,-2.97,;-2.93,-3.74,;-1.6,-2.97,;-.26,-3.74,;1.07,-2.97,;2.4,-3.74,;3.87,-3.26,;4.77,-4.51,;5.54,-5.84,;7.08,-5.84,;7.85,-4.51,;7.08,-3.18,;5.54,-3.18,;8.62,-3.18,;7.85,-1.84,;10.16,-3.18,;8.62,-5.84,;7.85,-7.18,;8.62,-8.51,;10.16,-8.51,;10.93,-7.18,;10.16,-5.84,;3.87,-5.76,;4.34,-7.22,;3.31,-8.37,;1.77,-8.37,;1.77,-9.91,;3.31,-9.91,;2.4,-5.28,;1.16,-6.19,)|
COCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.28,15.18,(-10.93,-3.74,;-9.6,-2.97,;-8.27,-3.74,;-6.93,-2.97,;-5.6,-3.74,;-4.26,-2.97,;-2.93,-3.74,;-1.6,-2.97,;-.26,-3.74,;1.07,-2.97,;2.4,-3.74,;3.87,-3.27,;4.77,-4.51,;5.54,-5.84,;7.08,-5.84,;7.85,-4.51,;7.08,-3.18,;5.54,-3.18,;8.62,-3.18,;7.85,-1.84,;10.16,-3.18,;8.62,-5.84,;7.85,-7.18,;8.62,-8.51,;10.16,-8.51,;10.93,-7.18,;10.16,-5.84,;3.87,-5.76,;4.34,-7.22,;3.31,-8.37,;1.77,-8.37,;1.77,-9.91,;3.31,-9.91,;2.4,-5.28,;1.16,-6.19,)|
COCCOCCOCCOCCOCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:27.30,24.40,(-6.84,-14.25,;-5.35,-13.85,;-4.26,-14.94,;-2.77,-14.54,;-2.38,-13.05,;-3.47,-11.96,;-4.95,-12.36,;-6.04,-11.27,;-7.53,-11.67,;-8.62,-10.58,;-10.11,-10.98,;-11.19,-9.89,;-10.8,-8.4,;-9.31,-8.01,;-8.22,-9.09,;-6.73,-8.7,;-5.64,-9.78,;-4.16,-9.39,;-3.07,-10.47,;-1.58,-10.08,;-.49,-11.17,;1,-10.77,;2.09,-11.86,;3.55,-11.38,;4.46,-12.63,;5.23,-13.96,;6.77,-13.96,;7.54,-12.63,;6.77,-11.29,;5.23,-11.29,;8.62,-11.54,;10.11,-11.94,;8.23,-10.05,;8.62,-13.71,;8.23,-15.2,;9.32,-16.29,;10.8,-15.89,;11.2,-14.4,;10.11,-13.32,;3.55,-13.87,;4.03,-15.34,;3,-16.48,;1.51,-16.88,;1.91,-18.37,;3.4,-17.97,;2.09,-13.4,;.84,-14.3,)|
COCCOCCOCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:21.24,18.34,(-4.95,-12.36,;-6.04,-11.27,;-7.53,-11.67,;-8.62,-10.58,;-10.11,-10.98,;-11.19,-9.89,;-10.8,-8.4,;-9.31,-8.01,;-8.22,-9.09,;-6.73,-8.7,;-5.64,-9.78,;-4.16,-9.39,;-3.07,-10.47,;-1.58,-10.08,;-.49,-11.17,;1,-10.77,;2.09,-11.86,;3.55,-11.38,;4.46,-12.63,;5.23,-13.96,;6.77,-13.96,;7.54,-12.63,;6.77,-11.29,;5.23,-11.29,;8.62,-11.54,;10.11,-11.94,;8.23,-10.05,;8.62,-13.71,;8.23,-15.2,;9.32,-16.29,;10.8,-15.89,;11.2,-14.4,;10.11,-13.32,;3.55,-13.87,;4.03,-15.34,;3,-16.48,;1.51,-16.88,;1.91,-18.37,;3.4,-17.97,;2.09,-13.4,;.84,-14.3,)|
COCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.15,9.25,(-6.73,-8.7,;-5.64,-9.78,;-4.16,-9.39,;-3.07,-10.47,;-1.58,-10.08,;-.49,-11.17,;1,-10.77,;2.09,-11.86,;3.55,-11.38,;4.46,-12.63,;5.23,-13.96,;6.77,-13.96,;7.54,-12.63,;6.77,-11.29,;5.23,-11.29,;8.62,-11.54,;10.11,-11.94,;8.23,-10.05,;8.62,-13.71,;8.23,-15.2,;9.32,-16.29,;10.8,-15.89,;11.2,-14.4,;10.11,-13.32,;3.55,-13.87,;4.03,-15.34,;3,-16.48,;1.51,-16.88,;1.91,-18.37,;3.4,-17.97,;2.09,-13.4,;.84,-14.3,)|
COCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:9.12,6.22,(-1.44,4.35,;.05,4.75,;1.14,3.66,;2.63,4.06,;3.72,2.97,;5.18,3.44,;6.09,2.2,;6.86,.86,;8.4,.86,;9.17,2.2,;8.4,3.53,;6.86,3.53,;10.26,3.29,;11.74,2.89,;9.86,4.77,;10.26,1.11,;9.86,-.38,;10.95,-1.47,;12.43,-1.07,;12.83,.42,;11.74,1.51,;5.18,.95,;5.66,-.51,;4.63,-1.66,;3.14,-2.06,;3.54,-3.54,;5.03,-3.15,;3.72,1.43,;2.47,.52,)|
COCCOCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:18.21,15.31,(-12.83,8.2,;-11.74,7.11,;-10.26,7.51,;-9.17,6.42,;-7.68,6.82,;-6.59,5.73,;-5.1,6.13,;-4.01,5.04,;-2.53,5.44,;-1.44,4.35,;.05,4.75,;1.14,3.66,;2.63,4.06,;3.72,2.97,;5.18,3.44,;6.09,2.2,;6.86,.86,;8.4,.86,;9.17,2.2,;8.4,3.53,;6.86,3.53,;10.26,3.29,;11.74,2.89,;9.86,4.77,;10.26,1.11,;9.86,-.38,;10.95,-1.47,;12.43,-1.07,;12.83,.42,;11.74,1.51,;5.18,.95,;5.66,-.51,;4.63,-1.66,;3.14,-2.06,;3.54,-3.54,;5.03,-3.15,;3.72,1.43,;2.47,.52,)|
CN(C)[C@]1(CC[C@]2(CN(CCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.17,(11.74,2.89,;10.26,3.29,;9.86,4.77,;9.17,2.2,;8.4,.86,;6.86,.86,;6.09,2.2,;5.18,3.44,;3.72,2.97,;2.63,4.06,;1.14,3.66,;.05,4.75,;.45,6.23,;-1.44,4.35,;-.35,3.26,;3.72,1.43,;2.47,.52,;5.18,.95,;5.66,-.51,;4.63,-1.66,;3.14,-2.06,;3.54,-3.54,;5.03,-3.15,;6.86,3.53,;8.4,3.53,;10.26,1.11,;9.86,-.38,;10.95,-1.47,;12.43,-1.07,;12.83,.42,;11.74,1.51,)|
CN[C@]1(CC[C@]2(CN(CCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.16,2.1,(7.24,-2.67,;8.01,-4,;7.24,-5.34,;6.47,-6.67,;4.93,-6.67,;4.16,-5.34,;3.25,-4.09,;1.79,-4.57,;.7,-3.48,;-.79,-3.88,;-1.88,-2.79,;-3.37,-3.19,;-2.97,-1.7,;-.79,-1.7,;1.79,-6.11,;.54,-7.01,;3.25,-6.58,;3.73,-8.05,;2.7,-9.19,;1.16,-9.19,;1.16,-10.73,;2.7,-10.73,;4.93,-4,;6.47,-4,;8.01,-6.67,;7.24,-8.01,;8.01,-9.34,;9.55,-9.34,;10.32,-8.01,;9.55,-6.67,)|
CN(C)[C@]1(CC[C@]2(CN(CCS(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.17,(11.74,2.89,;10.26,3.29,;9.86,4.77,;9.17,2.2,;8.4,.86,;6.86,.86,;6.09,2.2,;5.18,3.44,;3.72,2.97,;2.63,4.06,;1.14,3.66,;.05,4.75,;.45,6.23,;-1.44,4.35,;-.35,3.26,;3.72,1.43,;2.47,.52,;5.18,.95,;5.66,-.51,;4.63,-1.66,;3.82,-.35,;3.14,-2.06,;3.54,-3.54,;5.03,-3.15,;6.86,3.53,;8.4,3.53,;10.26,1.11,;9.86,-.38,;10.95,-1.47,;12.43,-1.07,;12.83,.42,;11.74,1.51,)|
CN(C)[C@]1(CC[C@]2(CN(CCCC#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.16,3.2,(6.97,-2.18,;7.74,-3.52,;9.28,-3.52,;6.97,-4.85,;6.2,-6.19,;4.66,-6.19,;3.89,-4.85,;2.98,-3.61,;1.52,-4.08,;.43,-2.99,;-1.06,-3.39,;-2.15,-2.3,;-3.63,-2.7,;-5.12,-3.1,;1.52,-5.62,;.27,-6.53,;2.98,-6.1,;3.46,-7.56,;2.43,-8.71,;.89,-8.71,;.89,-10.25,;2.43,-10.25,;4.66,-3.52,;6.2,-3.52,;7.74,-6.19,;6.97,-7.52,;7.74,-8.85,;9.28,-8.85,;10.05,-7.52,;9.28,-6.19,)|
CNC(=O)CCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:9.25,12.15,(-5.94,-2.3,;-4.46,-1.9,;-3.37,-2.99,;-3.77,-4.48,;-1.88,-2.59,;-.79,-3.68,;.7,-3.28,;1.79,-4.37,;3.25,-3.89,;4.16,-5.14,;4.93,-6.47,;6.47,-6.47,;7.24,-5.14,;6.47,-3.8,;4.93,-3.8,;8.01,-3.8,;7.24,-2.47,;9.55,-3.8,;8.01,-6.47,;7.24,-7.81,;8.01,-9.14,;9.55,-9.14,;10.32,-7.81,;9.55,-6.47,;3.25,-6.38,;3.73,-7.85,;2.7,-8.99,;1.16,-8.99,;1.16,-10.53,;2.7,-10.53,;1.79,-5.91,;.54,-6.81,)|
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.17,(11.4,-20.19,;9.91,-19.79,;9.51,-18.3,;8.82,-20.88,;8.05,-22.21,;6.51,-22.21,;5.74,-20.88,;4.84,-19.63,;3.37,-20.11,;2.28,-19.02,;.79,-19.42,;.4,-20.91,;1.88,-20.51,;-.29,-18.33,;-1.38,-17.24,;3.37,-21.65,;2.13,-22.55,;4.84,-22.12,;5.31,-23.59,;4.28,-24.73,;2.79,-25.13,;3.19,-26.62,;4.68,-26.22,;6.51,-19.55,;8.05,-19.55,;9.91,-21.97,;9.51,-23.46,;10.6,-24.54,;12.09,-24.15,;12.49,-22.66,;11.4,-21.57,)|
COCCOCCOCCOCCOCCOCCOCCOCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:30.33,27.43,(-4.07,-22.1,;-2.98,-23.19,;-1.49,-22.79,;-1.09,-21.3,;-2.18,-20.22,;-3.67,-20.61,;-4.76,-19.53,;-6.24,-19.92,;-7.33,-18.84,;-8.82,-19.23,;-9.91,-18.14,;-11.4,-18.54,;-12.49,-17.45,;-12.09,-15.97,;-10.6,-15.57,;-9.51,-16.66,;-8.02,-16.26,;-6.93,-17.35,;-5.45,-16.95,;-4.36,-18.04,;-2.87,-17.64,;-1.78,-18.73,;-.29,-18.33,;.79,-19.42,;2.28,-19.02,;3.37,-20.11,;4.84,-19.63,;5.74,-20.88,;6.51,-22.21,;8.05,-22.21,;8.82,-20.88,;8.05,-19.55,;6.51,-19.55,;9.91,-19.79,;11.4,-20.19,;9.51,-18.3,;9.91,-21.97,;9.51,-23.46,;10.6,-24.54,;12.09,-24.15,;12.49,-22.66,;11.4,-21.57,;4.84,-22.12,;5.31,-23.59,;4.28,-24.73,;2.79,-25.13,;3.19,-26.62,;4.68,-26.22,;3.37,-21.65,;2.13,-22.55,)|
CN(C)[C@]1(CC[C@]2(CN(C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.12,(11.4,-20.19,;9.91,-19.79,;9.51,-18.3,;8.82,-20.88,;8.05,-22.21,;6.51,-22.21,;5.74,-20.88,;4.84,-19.63,;3.37,-20.11,;2.28,-19.02,;3.37,-21.65,;2.13,-22.55,;4.84,-22.12,;5.31,-23.59,;4.28,-24.73,;2.79,-25.13,;3.19,-26.62,;4.68,-26.22,;6.51,-19.55,;8.05,-19.55,;9.91,-21.97,;9.51,-23.46,;10.6,-24.54,;12.09,-24.15,;12.49,-22.66,;11.4,-21.57,)|
CN[C@]1(CC[C@]2(CN(CCS(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:2.1,5.16,(9.51,-18.3,;9.91,-19.79,;8.82,-20.88,;8.05,-22.21,;6.51,-22.21,;5.74,-20.88,;4.84,-19.63,;3.37,-20.11,;2.28,-19.02,;.79,-19.42,;-.29,-18.33,;.1,-16.84,;-1.78,-18.73,;-.69,-19.82,;3.37,-21.65,;2.13,-22.55,;4.84,-22.12,;5.31,-23.59,;4.28,-24.73,;3.48,-23.42,;2.79,-25.13,;3.19,-26.62,;4.68,-26.22,;6.51,-19.55,;8.05,-19.55,;9.91,-21.97,;9.51,-23.46,;10.6,-24.54,;12.09,-24.15,;12.49,-22.66,;11.4,-21.57,)|
CN(C)[C@]1(CC[C@]2(CN(CCN3CCOCC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.20,(4.7,-19.56,;5.1,-21.04,;6.59,-21.44,;4.01,-22.13,;3.24,-23.47,;1.7,-23.47,;.93,-22.13,;.03,-20.89,;-1.44,-21.36,;-2.53,-20.27,;-4.01,-20.67,;-5.1,-19.58,;-4.7,-18.1,;-5.79,-17.01,;-7.28,-17.41,;-7.68,-18.89,;-6.59,-19.98,;-1.44,-22.9,;-2.68,-23.81,;.03,-23.38,;.5,-24.84,;-.53,-25.99,;1.01,-25.99,;-2.01,-26.39,;-1.62,-27.87,;-.13,-27.48,;1.7,-20.8,;3.24,-20.8,;5.1,-23.22,;4.7,-24.71,;5.79,-25.8,;7.28,-25.4,;7.68,-23.91,;6.59,-22.82,)|
COC(=O)CCCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.15,9.25,(-8.42,19.13,;-6.93,19.53,;-5.85,18.44,;-6.24,16.95,;-4.36,18.84,;-3.27,17.75,;-1.78,18.15,;-.69,17.06,;.77,17.54,;1.68,16.29,;2.45,14.96,;3.99,14.96,;4.76,16.29,;3.99,17.62,;2.45,17.62,;5.85,17.38,;5.45,18.87,;7.33,16.98,;5.85,15.2,;5.45,13.71,;6.54,12.63,;8.02,13.02,;8.42,14.51,;7.33,15.6,;.77,15.05,;1.25,13.58,;.22,12.44,;-1.27,12.04,;-.87,10.55,;.62,10.95,;-.69,15.52,;-1.94,14.62,)|
CN(C)[C@]1(CC[C@]2(CN(CC3CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(7.13,-24.56,;5.79,-23.79,;5.79,-22.25,;4.7,-24.88,;3.93,-26.21,;2.39,-26.21,;1.62,-24.88,;.72,-23.63,;-.75,-24.11,;-1.83,-23.02,;-3.32,-23.42,;-4.41,-22.33,;-5.9,-22.73,;-6.3,-24.22,;-7.78,-23.82,;-7.07,-25.55,;-5.21,-25.31,;-3.72,-24.91,;-.75,-25.65,;-1.99,-26.55,;.72,-26.13,;1.2,-27.59,;.16,-28.73,;1.65,-29.13,;-1.38,-28.73,;-1.38,-30.27,;.16,-30.27,;2.39,-23.55,;3.93,-23.55,;5.47,-26.21,;4.7,-27.55,;5.47,-28.88,;7.01,-28.88,;7.78,-27.55,;7.01,-26.21,)|
CN(C)[C@]1(CC[C@]2(CN(CC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(3.96,.41,;4.73,-.92,;6.27,-.92,;3.96,-2.25,;3.19,-3.59,;1.65,-3.59,;.88,-2.25,;-.02,-1.01,;-1.49,-1.48,;-2.82,-.71,;-2.82,.83,;-1.49,1.6,;-2.82,2.37,;-4.16,3.14,;-5.49,2.37,;-6.26,3.7,;-7.03,2.37,;-5.49,.83,;-4.16,.06,;-1.49,-3.02,;-2.73,-3.93,;-.02,-3.5,;.45,-4.96,;-.58,-6.11,;-2.12,-6.11,;-2.12,-7.65,;-.58,-7.65,;1.65,-.92,;3.19,-.92,;4.73,-3.59,;3.96,-4.92,;4.73,-6.25,;6.27,-6.25,;7.04,-4.92,;6.27,-3.59,)|
CN(C)[C@]1(CC[C@]2(CN(CC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(4.04,15.98,;4.81,14.65,;6.35,14.65,;4.04,13.32,;3.27,11.98,;1.73,11.98,;.96,13.32,;.06,14.56,;-1.41,14.09,;-2.74,14.86,;-2.74,16.4,;-1.41,17.17,;-2.74,17.94,;-4.07,18.71,;-5.41,17.94,;-6.18,19.27,;-6.9,17.54,;-5.41,16.4,;-4.07,15.63,;-1.41,12.55,;-2.65,11.64,;.06,12.07,;.53,10.61,;-.5,9.46,;.99,9.06,;-2.04,9.46,;-2.04,7.92,;-.5,7.92,;1.73,14.65,;3.27,14.65,;4.81,11.98,;4.04,10.65,;4.81,9.32,;6.35,9.32,;7.12,10.65,;6.35,11.98,)|
CN(C)[C@]1(CC[C@]2(CN(C3CCN(CC3)C(=O)c3ccncc3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.27,3.2,(8.02,11.94,;6.53,12.33,;6.53,13.87,;5.44,11.25,;4.67,9.91,;3.13,9.91,;2.36,11.25,;1.46,12.49,;-.01,12.02,;-1.34,12.79,;-1.34,14.33,;-2.67,15.1,;-4.01,14.33,;-4.01,12.79,;-2.67,12.02,;-5.34,15.1,;-5.34,16.64,;-6.68,14.33,;-8.01,15.1,;-9.34,14.33,;-9.34,12.79,;-8.01,12.02,;-6.68,12.79,;-.01,10.48,;-1.25,9.57,;1.46,10,;1.93,8.53,;.9,7.39,;-.56,6.91,;.58,5.88,;3.13,12.58,;4.67,12.58,;6.78,10.48,;6.78,8.94,;8.11,8.17,;9.44,8.94,;9.44,10.48,;8.11,11.25,)|
CN(C)[C@]1(CC[C@]2(CN(C3CCN(CC3)c3cncnc3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(7.35,2.01,;5.86,2.41,;5.86,3.95,;4.78,1.32,;4.01,-.01,;2.47,-.01,;1.7,1.32,;.79,2.56,;-.67,2.09,;-2.01,2.86,;-2.01,4.4,;-3.34,5.17,;-4.67,4.4,;-4.67,2.86,;-3.34,2.09,;-6.01,5.17,;-6.01,6.71,;-7.34,7.48,;-8.68,6.71,;-8.68,5.17,;-7.34,4.4,;-.67,.55,;-1.92,-.36,;.79,.07,;1.27,-1.39,;.24,-2.54,;-1.23,-3.01,;-.08,-4.04,;2.47,2.65,;4.01,2.65,;6.11,.55,;6.11,-.99,;7.44,-1.76,;8.78,-.99,;8.78,.55,;7.44,1.32,)|
CN(C)[C@]1(CC[C@]2(CN(CC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(5.79,-5.96,;4.31,-5.56,;3.91,-4.08,;3.22,-6.65,;2.45,-7.99,;.91,-7.99,;.14,-6.65,;-.77,-5.41,;-2.23,-5.88,;-3.48,-4.98,;-4.88,-5.61,;-4.69,-3.95,;-6.13,-4.7,;-7.54,-5.33,;-7.7,-6.86,;-8.79,-7.95,;-9.19,-6.46,;-6.45,-7.76,;-5.05,-7.14,;-2.23,-7.42,;-3.48,-8.33,;-.77,-7.9,;-.29,-9.36,;-1.32,-10.51,;-2.79,-10.98,;-1.64,-12.02,;.91,-5.32,;2.45,-5.32,;4.31,-7.74,;3.91,-9.23,;5,-10.32,;6.49,-9.92,;6.88,-8.43,;5.79,-7.34,)|
CN(C)[C@]1(CC[C@]2(CN(CC3CCN(CC3)c3cncnc3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(7.97,7.93,;6.48,8.33,;6.48,9.87,;5.39,7.24,;4.62,5.91,;3.08,5.91,;2.31,7.24,;1.41,8.49,;-.06,8.01,;-1.39,8.78,;-2.72,8.01,;-4.06,8.78,;-5.39,8.01,;-5.39,6.47,;-4.06,5.7,;-2.72,6.47,;-6.73,5.7,;-8.06,6.47,;-9.39,5.7,;-9.39,4.16,;-8.06,3.39,;-6.73,4.16,;-.06,6.47,;-1.3,5.56,;1.41,5.99,;1.88,4.53,;.85,3.38,;-.61,2.91,;.53,1.88,;3.08,8.57,;4.62,8.57,;6.73,6.47,;6.73,4.93,;8.06,4.16,;9.39,4.93,;9.39,6.47,;8.06,7.24,)|
CN(C)[C@]1(CC[C@]2(CN(CCC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.31,-14.15,;3.77,-14.15,;3,-12.81,;3,-15.48,;2.23,-16.81,;.69,-16.81,;-.08,-15.48,;-.98,-14.23,;-2.45,-14.71,;-3.78,-13.94,;-5.12,-14.71,;-6.45,-13.94,;-7.78,-14.71,;-5.12,-13.17,;-5.12,-11.63,;-6.45,-10.86,;-7.22,-9.53,;-5.68,-9.53,;-7.78,-11.63,;-7.78,-13.17,;-2.45,-16.25,;-3.69,-17.16,;-.98,-16.73,;-.51,-18.19,;-1.54,-19.33,;-3.08,-19.33,;-3.08,-20.87,;-1.54,-20.87,;.69,-14.15,;2.23,-14.15,;3.77,-16.81,;3,-18.15,;3.77,-19.48,;5.31,-19.48,;6.08,-18.15,;5.31,-16.81,)|
CN(C)[C@]1(CC[C@]2(CN(CCC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.35,6.14,;3.81,6.14,;3.04,7.47,;3.04,4.8,;2.27,3.47,;.73,3.47,;-.04,4.8,;-.95,6.05,;-2.41,5.57,;-3.74,6.34,;-5.08,5.57,;-6.41,6.34,;-7.74,5.57,;-5.08,7.11,;-5.08,8.65,;-6.41,9.42,;-7.18,10.76,;-5.64,10.76,;-7.74,8.65,;-7.74,7.11,;-2.41,4.03,;-3.66,3.13,;-.95,3.56,;-.47,2.09,;-1.5,.95,;-.01,.55,;-3.04,.95,;-3.04,-.59,;-1.5,-.59,;.73,6.14,;2.27,6.14,;3.81,3.47,;3.04,2.13,;3.81,.8,;5.35,.8,;6.12,2.13,;5.35,3.47,)|
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)NS(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(5.7,-1.23,;4.16,-1.23,;3.39,.1,;3.39,-2.57,;2.62,-3.9,;1.08,-3.9,;.31,-2.57,;-.59,-1.32,;-2.06,-1.8,;-3.39,-1.03,;-4.73,-1.8,;-5.5,-3.13,;-3.96,-3.13,;-6.06,-1.03,;-7.39,-1.8,;-8.73,-1.03,;-8.16,-3.13,;-6.62,-3.13,;-2.06,-3.34,;-3.3,-4.24,;-.59,-3.81,;-.12,-5.28,;-1.15,-6.42,;.34,-6.82,;-2.69,-6.42,;-2.69,-7.96,;-1.15,-7.96,;1.08,-1.23,;2.62,-1.23,;4.16,-3.9,;3.39,-5.23,;4.16,-6.57,;5.7,-6.57,;6.47,-5.23,;5.7,-3.9,)|
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)N3CCCS3(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(5.39,-23.23,;3.85,-23.23,;3.08,-21.9,;3.08,-24.57,;2.31,-25.9,;.77,-25.9,;-0,-24.57,;-.91,-23.32,;-2.37,-23.8,;-3.71,-23.03,;-5.04,-23.8,;-5.81,-25.13,;-4.27,-25.13,;-6.37,-23.03,;-7.84,-23.5,;-8.74,-22.26,;-7.84,-21.01,;-6.37,-21.49,;-6.37,-19.95,;-4.89,-21.09,;-2.37,-25.34,;-3.62,-26.24,;-.91,-25.81,;-.43,-27.28,;-1.46,-28.42,;.03,-28.82,;-3,-28.42,;-3,-29.96,;-1.46,-29.96,;.77,-23.23,;2.31,-23.23,;3.85,-25.9,;3.08,-27.23,;3.85,-28.57,;5.39,-28.57,;6.16,-27.23,;5.39,-25.9,)|
CN(C)[C@]1(CC[C@]2(CN(C3CCN(CC3)c3cncnc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(6.12,15.6,;6.12,14.06,;7.61,13.66,;5.04,12.97,;4.27,11.63,;2.73,11.63,;1.96,12.97,;1.05,14.21,;-.41,13.74,;-1.75,14.51,;-1.75,16.05,;-3.08,16.82,;-4.42,16.05,;-4.42,14.51,;-3.08,13.74,;-5.75,16.82,;-5.75,18.36,;-7.08,19.13,;-8.42,18.36,;-8.42,16.82,;-7.08,16.05,;-.41,12.2,;-1.66,11.29,;1.05,11.72,;1.53,10.26,;.5,9.11,;1.98,8.71,;-1.04,9.11,;-1.04,7.57,;.5,7.57,;2.73,14.3,;4.27,14.3,;6.37,12.2,;6.37,10.66,;7.7,9.89,;9.04,10.66,;9.04,12.2,;7.7,12.97,)|
CN(C)[C@]1(CC[C@]2(CN(CC3(O)CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1cccc(F)c1 |r,wU:6.22,3.2,(4.57,-1.94,;4.57,-3.48,;6.05,-3.88,;3.48,-4.57,;2.71,-5.91,;1.17,-5.91,;.4,-4.57,;-.51,-3.33,;-1.97,-3.8,;-3.31,-3.03,;-4.64,-3.8,;-4.64,-2.26,;-5.97,-3.03,;-7.31,-3.8,;-7.31,-5.34,;-8.8,-4.94,;-7.71,-6.83,;-5.97,-6.11,;-4.64,-5.34,;-1.97,-5.34,;-3.22,-6.25,;-.51,-5.82,;-.03,-7.28,;-1.06,-8.43,;.42,-8.83,;-2.6,-8.43,;-2.6,-9.97,;-1.06,-9.97,;1.17,-3.24,;2.71,-3.24,;4.81,-5.34,;4.81,-6.88,;6.14,-7.65,;7.48,-6.88,;7.48,-5.34,;8.81,-4.57,;6.14,-4.57,)|
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C#N)C(=O)N2CC2(F)CC2)CC1)c1ccccc1 |r,wU:6.17,3.2,(5.89,19.14,;4.4,19.54,;4.01,21.03,;3.31,18.45,;2.54,17.12,;1,17.12,;.23,18.45,;-.67,19.7,;-2.13,19.22,;-3.47,19.99,;-4.8,19.22,;-5.57,17.89,;-4.03,17.89,;-5.89,20.31,;-6.98,21.4,;-2.13,17.68,;-3.38,16.78,;-.67,17.2,;-.19,15.74,;-1.22,14.6,;.26,14.2,;-2.69,14.12,;-1.55,13.09,;1,19.78,;2.54,19.78,;4.4,17.36,;4.01,15.87,;5.09,14.79,;6.58,15.18,;6.98,16.67,;5.89,17.76,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(C)(C)C#N)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.17,(6.05,-3.09,;4.56,-2.69,;4.16,-1.2,;3.47,-3.78,;2.7,-2.45,;1.16,-2.45,;.39,-3.78,;-.51,-2.54,;-1.98,-3.01,;-3.22,-2.11,;-4.63,-2.73,;-4.23,-4.22,;-5.4,-4.07,;-5.88,-1.83,;-7.14,-.93,;-1.98,-4.55,;-3.22,-5.46,;-.51,-5.03,;-.04,-6.49,;-1.07,-7.64,;-2.53,-8.11,;-1.39,-9.14,;1.16,-5.12,;2.7,-5.12,;4.56,-4.87,;4.16,-6.36,;5.25,-7.45,;6.74,-7.05,;7.14,-5.56,;6.05,-4.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.58,22.67,;5.1,23.06,;4.7,24.55,;4.01,21.98,;3.24,20.64,;1.7,20.64,;.93,21.98,;.02,23.22,;-1.44,22.75,;-1.44,21.21,;-2.69,20.3,;.02,20.73,;.5,19.26,;-.53,18.12,;-2.07,18.12,;-2.07,16.58,;-.53,16.58,;-2.69,23.65,;-2.53,25.18,;-3.77,26.09,;-5.18,25.46,;-5.34,23.93,;-4.1,23.02,;-6.43,26.37,;-7.67,27.27,;1.7,23.31,;3.24,23.31,;5.1,20.89,;4.7,19.4,;5.79,18.31,;7.27,18.71,;7.67,20.2,;6.58,21.28,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.58,8.1,;5.1,8.5,;4.7,9.99,;4.01,7.41,;3.24,6.08,;1.7,6.08,;.93,7.41,;.02,8.66,;-1.44,8.18,;-1.44,6.64,;-2.69,5.74,;.02,6.17,;.5,4.7,;-.53,3.56,;-2.07,3.56,;-2.07,2.02,;-.53,2.02,;-2.69,9.09,;-4.1,8.46,;-5.34,9.37,;-5.18,10.9,;-3.77,11.52,;-2.53,10.62,;-6.43,11.8,;-7.67,12.71,;1.7,8.75,;3.24,8.75,;5.1,6.32,;4.7,4.84,;5.79,3.75,;7.27,4.15,;7.67,5.63,;6.58,6.72,)|
COc1nc(ncc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.27,13.17,(-.93,-.89,;-.93,-2.43,;-2.26,-3.2,;-3.6,-2.43,;-4.93,-3.2,;-4.93,-4.74,;-3.6,-5.51,;-2.26,-4.74,;-.93,-5.51,;.53,-5.03,;1.44,-6.28,;2.21,-7.61,;3.75,-7.61,;4.52,-6.28,;3.75,-4.94,;2.21,-4.94,;5.29,-4.94,;6.83,-4.94,;4.52,-3.61,;5.29,-7.61,;4.52,-8.95,;5.29,-10.28,;6.83,-10.28,;7.6,-8.95,;6.83,-7.61,;.53,-7.52,;1.01,-8.99,;-.02,-10.13,;-1.56,-10.13,;-1.56,-11.67,;-.02,-11.67,;-.93,-7.05,;-2.18,-7.95,;-6.27,-2.43,;-7.6,-1.66,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(cn1)C#N |r,wU:9.9,12.16,(-1.22,-27.27,;-.13,-26.18,;-.53,-24.69,;.5,-23.55,;.02,-22.09,;-1.44,-21.61,;-2.69,-22.51,;-1.44,-20.07,;.02,-19.59,;.93,-20.84,;1.7,-22.17,;3.24,-22.17,;4.01,-20.84,;3.24,-19.51,;1.7,-19.51,;5.1,-19.75,;6.58,-20.15,;4.7,-18.26,;5.1,-21.93,;4.7,-23.42,;5.79,-24.51,;7.27,-24.11,;7.67,-22.62,;6.58,-21.53,;-2.69,-19.16,;-4.1,-19.79,;-5.34,-18.89,;-5.18,-17.35,;-3.77,-16.73,;-2.53,-17.63,;-6.43,-16.45,;-7.67,-15.54,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.39,21.95,;4.9,22.35,;4.5,23.83,;3.81,21.26,;3.04,19.92,;1.5,19.92,;.73,21.26,;-.17,22.5,;-1.64,22.03,;-1.64,20.49,;-2.88,19.58,;-.17,20.01,;.31,18.55,;-.73,17.4,;-2.27,17.4,;-2.27,15.86,;-.73,15.86,;-2.72,23.12,;-2.33,24.6,;-3.41,25.69,;-4.9,25.29,;-5.3,23.81,;-4.21,22.72,;-5.99,26.38,;-5.59,27.87,;-7.48,25.98,;1.5,22.59,;3.04,22.59,;4.9,20.17,;4.5,18.68,;5.59,17.59,;7.08,17.99,;7.48,19.48,;6.39,20.57,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2C#N)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.83,9.12,;5.29,9.12,;4.52,10.45,;4.52,7.78,;3.75,6.45,;2.21,6.45,;1.44,7.78,;.53,9.03,;-.93,8.55,;-.93,7.01,;-2.18,6.11,;.53,6.54,;1.01,5.07,;-.02,3.93,;-1.56,3.93,;-1.56,2.39,;-.02,2.39,;-2.26,9.32,;-3.6,8.55,;-4.93,9.32,;-4.93,10.86,;-3.6,11.63,;-2.26,10.86,;-.93,11.63,;.4,12.4,;-6.27,11.63,;-6.27,10.09,;-6.27,13.17,;-7.6,10.86,;2.21,9.12,;3.75,9.12,;5.29,6.45,;4.52,5.11,;5.29,3.78,;6.83,3.78,;7.6,5.11,;6.83,6.45,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CCOC)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.3,-4.01,;4.7,-5.5,;3.61,-6.59,;2.84,-7.92,;1.3,-7.92,;.53,-6.59,;-.38,-5.34,;-1.84,-5.82,;-1.84,-7.36,;-3.09,-8.26,;-.38,-7.83,;.1,-9.3,;-.93,-10.44,;-.46,-11.9,;-1.49,-13.05,;-2.93,-4.73,;-2.53,-3.24,;-3.62,-2.15,;-5.11,-2.55,;-5.51,-4.04,;-4.42,-5.12,;-6.2,-1.46,;-7.29,-.37,;1.3,-5.25,;2.84,-5.25,;4.7,-7.67,;4.3,-9.16,;5.39,-10.25,;6.87,-9.85,;7.27,-8.36,;6.18,-7.28,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2C#N)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.57,-21.14,;5.03,-21.14,;4.26,-19.81,;4.26,-22.47,;3.49,-23.81,;1.95,-23.81,;1.18,-22.47,;.28,-21.23,;-1.19,-21.7,;-1.19,-23.24,;-2.43,-24.15,;.28,-23.72,;.75,-25.19,;-.28,-26.33,;-1.82,-26.33,;-1.82,-27.87,;-.28,-27.87,;-2.43,-20.8,;-3.84,-21.43,;-5.08,-20.52,;-4.92,-18.99,;-3.52,-18.36,;-2.27,-19.27,;-.86,-18.64,;.54,-18.02,;-6.17,-18.08,;-7.58,-18.71,;-6.94,-16.75,;-5.08,-17,;1.95,-21.14,;3.49,-21.14,;5.03,-23.81,;4.26,-25.14,;5.03,-26.48,;6.57,-26.48,;7.34,-25.14,;6.57,-23.81,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.12,23,;3.58,23,;2.81,24.34,;2.81,21.67,;2.04,20.34,;.5,20.34,;-.27,21.67,;-1.18,22.92,;-2.64,22.44,;-2.64,20.9,;-3.89,20,;-1.18,20.42,;-.7,18.96,;-1.73,17.82,;-3.27,17.82,;-3.27,16.28,;-1.73,16.28,;-3.89,23.35,;-5.29,22.72,;-6.54,23.62,;-6.38,25.16,;-4.97,25.78,;-3.73,24.88,;-2.32,25.5,;-2.16,27.04,;-1.07,24.6,;.5,23,;2.04,23,;3.58,20.34,;2.81,19,;3.58,17.67,;5.12,17.67,;5.89,19,;5.12,20.34,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cccc(c2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.35,7.99,;3.81,7.99,;3.04,9.32,;3.04,6.65,;2.27,5.32,;.73,5.32,;-.04,6.65,;-.95,7.9,;-2.41,7.42,;-2.41,5.88,;-3.66,4.98,;-.95,5.41,;-.47,3.94,;-1.5,2.8,;-3.04,2.8,;-3.04,1.26,;-1.5,1.26,;-3.66,8.33,;-5.06,7.7,;-6.31,8.61,;-6.15,10.14,;-4.74,10.76,;-3.5,9.86,;-4.58,12.3,;-5.83,13.2,;-3.18,12.92,;.73,7.99,;2.27,7.99,;3.81,5.32,;3.04,3.98,;3.81,2.65,;5.35,2.65,;6.12,3.98,;5.35,5.32,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.83,-6.58,;5.29,-6.58,;4.52,-5.25,;4.52,-7.92,;3.75,-9.25,;2.21,-9.25,;1.44,-7.92,;.54,-6.67,;-.92,-7.15,;-.92,-8.69,;-2.17,-9.59,;.54,-9.16,;1.02,-10.63,;-.01,-11.77,;1.47,-12.17,;-1.55,-11.77,;-1.55,-13.31,;-.01,-13.31,;-2.17,-6.24,;-2.01,-4.71,;-3.26,-3.81,;-4.66,-4.43,;-4.82,-5.96,;-3.58,-6.87,;-5.91,-3.53,;-7.32,-4.15,;-5.75,-2,;2.21,-6.58,;3.75,-6.58,;5.29,-9.25,;4.52,-10.59,;5.29,-11.92,;6.83,-11.92,;7.6,-10.59,;6.83,-9.25,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.07,-18.97,;4.84,-20.31,;4.07,-21.64,;3.3,-22.97,;1.76,-22.97,;.99,-21.64,;.09,-20.39,;-1.38,-20.87,;-1.38,-22.41,;-2.62,-23.32,;.09,-22.89,;.56,-24.35,;-.47,-25.5,;-2.01,-25.5,;-2.01,-27.04,;-.47,-27.04,;-2.62,-19.96,;-4.03,-20.59,;-5.27,-19.69,;-5.11,-18.15,;-3.71,-17.53,;-2.46,-18.43,;-1.05,-17.81,;-1.05,-16.27,;-6.36,-17.25,;-7.6,-16.34,;1.76,-20.31,;3.3,-20.31,;4.84,-22.97,;4.07,-24.31,;4.84,-25.64,;6.38,-25.64,;7.15,-24.31,;6.38,-22.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.91,23.35,;4.68,22.02,;6.22,22.02,;3.91,20.69,;3.14,19.35,;1.6,19.35,;.83,20.69,;-.08,21.93,;-1.54,21.46,;-1.54,19.92,;-2.79,19.01,;-.08,19.44,;.4,17.98,;-.63,16.83,;.86,16.43,;-2.17,16.83,;-2.17,15.29,;-.63,15.29,;-2.63,22.55,;-2.23,24.03,;-3.32,25.12,;-4.81,24.72,;-5.21,23.24,;-4.12,22.15,;-5.9,25.81,;-6.99,26.9,;1.6,22.02,;3.14,22.02,;4.68,19.35,;3.91,18.02,;4.68,16.69,;6.22,16.69,;6.99,18.02,;6.22,19.35,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ncc(cn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.52,9.91,;5.29,8.58,;6.83,8.58,;4.52,7.24,;3.75,5.91,;2.21,5.91,;1.44,7.24,;.53,8.49,;-.93,8.01,;-.93,6.47,;-2.18,5.57,;.53,6,;1.01,4.53,;-.02,3.39,;-1.56,3.39,;-1.56,1.85,;-.02,1.85,;-2.26,8.78,;-2.26,10.32,;-3.6,11.09,;-4.93,10.32,;-4.93,8.78,;-3.6,8.01,;-6.27,11.09,;-7.6,11.86,;2.21,8.58,;3.75,8.58,;5.29,5.91,;4.52,4.58,;5.29,3.24,;6.83,3.24,;7.6,4.58,;6.83,5.91,)|
COc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:10.27,13.17,(-7.3,-1.47,;-5.81,-1.07,;-4.72,-2.16,;-3.23,-1.76,;-2.14,-2.85,;-2.54,-4.34,;-4.03,-4.74,;-5.12,-3.65,;-1.45,-5.43,;.01,-4.95,;.92,-6.2,;1.69,-7.53,;3.23,-7.53,;4,-6.2,;3.23,-4.86,;1.69,-4.86,;4.77,-4.86,;4,-3.53,;6.31,-4.86,;4.77,-7.53,;4,-8.86,;4.77,-10.2,;6.31,-10.2,;7.08,-8.86,;6.31,-7.53,;.01,-7.44,;.49,-8.91,;-.54,-10.05,;.94,-10.45,;-2.08,-10.05,;-2.08,-11.59,;-.54,-11.59,;-1.45,-6.97,;-2.7,-7.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ncc(cn2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.69,-20.82,;5.2,-20.42,;4.8,-18.93,;4.11,-21.51,;3.34,-22.84,;1.8,-22.84,;1.03,-21.51,;.13,-20.26,;-1.34,-20.74,;-1.34,-22.28,;-2.58,-23.18,;.13,-22.75,;.61,-24.22,;-.43,-25.36,;-1.97,-25.36,;-1.97,-26.9,;-.43,-26.9,;-2.42,-19.65,;-2.03,-18.16,;-3.11,-17.07,;-4.6,-17.47,;-5,-18.96,;-3.91,-20.05,;-5.69,-16.38,;-5.29,-14.89,;-7.18,-16.78,;1.8,-20.17,;3.34,-20.17,;4.88,-22.84,;4.11,-24.17,;4.88,-25.51,;6.42,-25.51,;7.19,-24.17,;6.42,-22.84,)|
CNC(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.29,15.19,(-7.74,25.77,;-6.65,24.68,;-5.16,25.08,;-4.76,26.57,;-4.07,23.99,;-2.58,24.39,;-1.49,23.3,;-1.89,21.81,;-3.38,21.41,;-4.47,22.5,;-.8,20.72,;.66,21.2,;1.57,19.95,;2.34,18.62,;3.88,18.62,;4.65,19.95,;3.88,21.29,;2.34,21.29,;5.74,21.04,;7.22,20.64,;5.34,22.53,;5.42,18.62,;4.65,17.29,;5.42,15.95,;6.96,15.95,;7.73,17.29,;6.96,18.62,;.66,18.71,;1.14,17.24,;.11,16.1,;-1.43,16.1,;-1.43,14.56,;.11,14.56,;-.8,19.18,;-2.05,18.28,)|
CCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:8.8,11.15,(.59,1.27,;.12,2.74,;1.15,3.88,;.67,5.35,;-.79,5.82,;-2.04,4.92,;-.79,7.36,;.67,7.84,;1.58,6.59,;2.35,5.26,;3.89,5.26,;4.66,6.59,;3.89,7.93,;2.35,7.93,;5.43,7.93,;4.66,9.26,;6.97,7.93,;5.43,5.26,;4.66,3.93,;5.43,2.59,;6.97,2.59,;7.74,3.93,;6.97,5.26,;-2.04,8.27,;-1.88,9.8,;-3.12,10.7,;-4.53,10.08,;-4.69,8.55,;-3.45,7.64,;-5.87,10.85,;-7.2,11.62,)|
COCCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:10.10,13.17,(-1.93,-13,;-.44,-13.4,;.59,-12.25,;.12,-10.79,;1.15,-9.65,;.67,-8.18,;-.79,-7.71,;-2.04,-8.61,;-.79,-6.17,;.67,-5.69,;1.58,-6.94,;2.35,-8.27,;3.89,-8.27,;4.66,-6.94,;3.89,-5.6,;2.35,-5.6,;5.43,-5.6,;4.66,-4.27,;6.97,-5.6,;5.43,-8.27,;4.66,-9.6,;5.43,-10.94,;6.97,-10.94,;7.74,-9.6,;6.97,-8.27,;-2.04,-5.26,;-1.88,-3.73,;-3.12,-2.82,;-4.53,-3.45,;-4.69,-4.98,;-3.45,-5.89,;-5.87,-2.68,;-7.2,-1.91,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.66,-18.54,;5.43,-19.87,;6.97,-19.87,;4.66,-21.21,;3.89,-22.54,;2.35,-22.54,;1.58,-21.21,;.67,-19.96,;-.79,-20.44,;-.79,-21.98,;-2.04,-22.88,;.67,-22.45,;1.15,-23.92,;.12,-25.06,;-1.35,-25.54,;-.2,-26.57,;-2.04,-19.53,;-1.88,-18,;-3.12,-17.09,;-4.53,-17.72,;-4.69,-19.25,;-3.45,-20.16,;-5.87,-16.95,;-7.2,-16.18,;2.35,-19.87,;3.89,-19.87,;5.43,-22.54,;4.66,-23.87,;5.43,-25.21,;6.97,-25.21,;7.74,-23.87,;6.97,-22.54,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,22.35,;5.42,21.02,;6.96,21.02,;4.65,19.68,;3.88,18.35,;2.34,18.35,;1.57,19.68,;.66,20.93,;-.8,20.45,;-.8,18.91,;-2.05,18.01,;.66,18.44,;1.14,16.97,;.11,15.83,;-1.43,15.83,;-1.43,14.29,;.11,14.29,;-2.05,21.36,;-1.89,22.89,;-3.13,23.8,;-4.54,23.17,;-4.7,21.64,;-3.45,20.73,;-5.79,24.08,;-7.19,23.45,;-5.62,25.61,;2.34,21.02,;3.88,21.02,;5.42,18.35,;4.65,17.02,;5.42,15.68,;6.96,15.68,;7.73,17.02,;6.96,18.35,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.39,8.81,;5.16,7.47,;6.7,7.47,;4.39,6.14,;3.62,4.81,;2.08,4.81,;1.31,6.14,;.41,7.38,;-1.06,6.91,;-1.06,5.37,;-2.31,4.46,;.41,4.89,;.88,3.43,;-.15,2.28,;-1.69,2.28,;-1.69,.74,;-.15,.74,;-2.39,7.68,;-2.39,9.22,;-3.73,9.99,;-5.06,9.22,;-5.06,7.68,;-3.73,6.91,;-6.39,9.99,;-7.73,9.22,;-6.39,11.53,;-7.73,10.76,;2.08,7.47,;3.62,7.47,;5.16,4.81,;4.39,3.47,;5.16,2.14,;6.7,2.14,;7.47,3.47,;6.7,4.81,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(O)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.83,-3.35,;4.6,-4.68,;6.14,-4.68,;3.83,-6.02,;3.06,-7.35,;1.52,-7.35,;.75,-6.02,;-.16,-4.77,;-1.62,-5.25,;-1.62,-6.79,;-2.87,-7.69,;-.16,-7.26,;.32,-8.73,;-.71,-9.87,;.77,-10.27,;-2.25,-9.87,;-2.25,-11.41,;-.71,-11.41,;-2.87,-4.34,;-2.71,-2.81,;-3.95,-1.9,;-5.36,-2.53,;-6.61,-1.63,;-5.52,-4.06,;-4.28,-4.97,;1.52,-4.68,;3.06,-4.68,;4.6,-7.35,;3.83,-8.68,;4.6,-10.02,;6.14,-10.02,;6.91,-8.68,;6.14,-7.35,)|
CC(C)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:9.9,12.16,(.13,-25.61,;-.34,-24.14,;-1.85,-23.82,;.69,-23,;.21,-21.53,;-1.25,-21.06,;-2.5,-21.96,;-1.25,-19.52,;.21,-19.04,;1.12,-20.29,;1.89,-21.62,;3.43,-21.62,;4.2,-20.29,;3.43,-18.95,;1.89,-18.95,;4.97,-18.95,;4.2,-17.62,;6.51,-18.95,;4.97,-21.62,;4.2,-22.95,;4.97,-24.29,;6.51,-24.29,;7.28,-22.95,;6.51,-21.62,;-2.5,-18.61,;-2.34,-17.08,;-3.58,-16.18,;-4.99,-16.8,;-5.15,-18.33,;-3.91,-19.24,;-6.24,-15.9,;-7.48,-14.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CCO)c2cnc(nc2)C#N)CC1)C1CC=CC=C1 |r,wU:6.11,3.2,c:30,32,(4.41,23.61,;5.18,22.27,;6.72,22.27,;4.41,20.94,;3.64,19.6,;2.1,19.6,;1.33,20.94,;.42,22.18,;-1.04,21.71,;-1.04,20.17,;-2.29,19.26,;.42,19.69,;.9,18.23,;-.13,17.08,;.34,15.62,;-2.29,22.61,;-2.13,24.14,;-3.37,25.05,;-4.78,24.42,;-4.94,22.89,;-3.7,21.99,;-6.03,25.33,;-7.27,26.23,;2.1,22.27,;3.64,22.27,;5.18,19.6,;4.41,18.27,;5.18,16.94,;6.72,16.94,;7.49,18.27,;6.72,19.6,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cc2C)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.41,10,;5.18,8.66,;4.41,7.33,;3.64,6,;2.1,6,;1.33,7.33,;.42,8.58,;-1.04,8.1,;-1.04,6.56,;-2.29,5.66,;.42,6.08,;.9,4.62,;-.13,3.48,;-1.67,3.48,;-1.67,1.94,;-.13,1.94,;-2.29,9.01,;-3.7,8.38,;-4.94,9.28,;-4.78,10.82,;-3.37,11.44,;-2.13,10.54,;-.72,11.16,;-6.03,11.72,;-7.27,12.63,;2.1,8.66,;3.64,8.66,;5.18,6,;4.41,4.66,;5.18,3.33,;6.72,3.33,;7.49,4.66,;6.72,6,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(OC)cn2)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.38,-3.82,;5.15,-5.15,;4.38,-6.48,;3.61,-7.82,;2.07,-7.82,;1.3,-6.48,;.39,-5.24,;-1.07,-5.71,;-1.07,-7.25,;-2.32,-8.16,;.39,-7.73,;.87,-9.2,;-.16,-10.34,;-1.7,-10.34,;-1.7,-11.88,;-.16,-11.88,;-2.32,-4.81,;-3.72,-5.44,;-4.97,-4.53,;-4.81,-3,;-6.06,-2.09,;-7.46,-2.72,;-3.4,-2.37,;-2.16,-3.28,;2.07,-5.15,;3.61,-5.15,;5.15,-7.82,;4.38,-9.15,;5.15,-10.49,;6.69,-10.49,;7.46,-9.15,;6.69,-7.82,)|
CN(C)C(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.30,16.20,(-8.08,-16.17,;-6.84,-17.07,;-7,-18.61,;-5.43,-16.45,;-5.27,-14.92,;-4.18,-17.35,;-2.78,-16.73,;-1.53,-17.63,;-1.69,-19.16,;-3.1,-19.79,;-4.35,-18.89,;-.45,-20.07,;1.02,-19.59,;1.92,-20.84,;2.69,-22.17,;4.23,-22.17,;5,-20.84,;4.23,-19.51,;2.69,-19.51,;5.77,-19.51,;5,-18.17,;7.31,-19.51,;5.77,-22.17,;5,-23.51,;5.77,-24.84,;7.31,-24.84,;8.08,-23.51,;7.31,-22.17,;1.02,-22.09,;1.49,-23.55,;.46,-24.69,;-1.08,-24.69,;-1.08,-26.23,;.46,-26.23,;-.45,-21.61,;-1.69,-22.51,)|
CCN(CCO)C(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.33,19.23,(-4.33,22.55,;-5.55,23.48,;-5.39,25.01,;-6.64,25.92,;-8.04,25.29,;-9.29,26.2,;-3.98,25.64,;-3.82,27.17,;-2.74,24.74,;-1.33,25.36,;-.09,24.46,;-.25,22.93,;-1.65,22.3,;-2.9,23.2,;1,22.02,;2.46,22.5,;3.37,21.25,;4.14,19.92,;5.68,19.92,;6.45,21.25,;5.68,22.58,;4.14,22.58,;7.22,22.58,;6.45,23.92,;8.76,22.58,;7.22,19.92,;6.45,18.58,;7.22,17.25,;8.76,17.25,;9.53,18.58,;8.76,19.92,;2.46,20,;2.94,18.54,;1.91,17.4,;.37,17.4,;.37,15.86,;1.91,15.86,;1,20.48,;-.25,19.58,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:5.10,2.1,(2.93,9.88,;3.7,8.54,;2.93,7.21,;2.16,5.88,;.62,5.88,;-.15,7.21,;-1.05,8.46,;-2.52,7.98,;-2.52,6.44,;-3.76,5.54,;-1.05,5.96,;-.58,4.5,;-1.61,3.36,;-3.15,3.36,;-3.15,1.82,;-1.61,1.82,;-3.76,8.89,;-3.6,10.42,;-4.85,11.32,;-6.26,10.7,;-6.42,9.16,;-5.17,8.26,;-7.5,11.6,;-8.91,10.97,;-8.27,12.93,;-6.41,12.69,;.62,8.54,;2.16,8.54,;3.7,5.88,;2.93,4.54,;3.7,3.21,;5.24,3.21,;6.01,4.54,;5.24,5.88,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2S(C)(=O)=O)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.01,-4.55,;3.78,-5.88,;3.01,-7.22,;2.24,-8.55,;.7,-8.55,;-.07,-7.22,;-.97,-5.97,;-2.44,-6.45,;-2.44,-7.99,;-3.68,-8.89,;-.97,-8.46,;-.5,-9.93,;-1.53,-11.07,;-3.07,-11.07,;-3.07,-12.61,;-1.53,-12.61,;-3.68,-5.54,;-5.09,-6.17,;-6.33,-5.26,;-6.17,-3.73,;-4.77,-3.1,;-3.52,-4.01,;-2.11,-3.38,;-.87,-4.29,;-2.51,-1.9,;-1.03,-2.29,;-7.42,-2.83,;-8.83,-3.45,;-7.26,-1.29,;-8.67,-1.92,;.7,-5.88,;2.24,-5.88,;3.78,-8.55,;3.01,-9.88,;3.78,-11.22,;5.32,-11.22,;6.09,-9.88,;5.32,-8.55,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2C(F)(F)F)S(=O)(=O)N(C)C)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.56,-19.11,;4.33,-20.44,;3.56,-21.78,;2.79,-23.11,;1.25,-23.11,;.48,-21.78,;-.43,-20.53,;-1.89,-21.01,;-1.89,-22.55,;-3.14,-23.45,;-.43,-23.02,;.05,-24.49,;-.98,-25.63,;-2.52,-25.63,;-2.52,-27.17,;-.98,-27.17,;-3.14,-20.1,;-4.55,-20.73,;-5.79,-19.82,;-5.63,-18.29,;-4.22,-17.67,;-2.98,-18.57,;-1.57,-17.94,;-.03,-17.94,;-1.17,-16.46,;-.24,-18.71,;-6.88,-17.39,;-6.88,-15.85,;-5.39,-16.99,;-8.28,-18.01,;-9.53,-17.11,;-8.44,-19.54,;1.25,-20.44,;2.79,-20.44,;4.33,-23.11,;3.56,-24.45,;4.33,-25.78,;5.87,-25.78,;6.64,-24.45,;5.87,-23.11,)|
CCN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r,wU:7.12,4.3,(7.41,24.89,;6.64,23.56,;5.1,23.56,;4.33,24.89,;4.33,22.23,;3.56,20.89,;2.02,20.89,;1.25,22.23,;.34,23.47,;-1.12,23,;-1.12,21.46,;-2.37,20.55,;.34,20.98,;.82,19.52,;-.21,18.37,;-1.75,18.37,;-1.75,16.83,;-.21,16.83,;-2.37,23.9,;-2.21,25.43,;-3.45,26.34,;-4.86,25.71,;-5.02,24.18,;-3.78,23.28,;-6.11,26.62,;-7.35,27.52,;2.02,23.56,;3.56,23.56,;5.1,20.89,;4.33,19.56,;5.1,18.23,;6.64,18.23,;7.41,19.56,;6.64,20.89,)|
CCN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:7.12,4.3,(7.46,9.94,;6.69,8.6,;5.15,8.6,;4.38,9.94,;4.38,7.27,;3.61,5.94,;2.07,5.94,;1.3,7.27,;.39,8.52,;-1.07,8.04,;-1.07,6.5,;-2.32,5.6,;.39,6.02,;.87,4.56,;-.16,3.42,;-1.7,3.42,;-1.7,1.88,;-.16,1.88,;-2.32,8.95,;-2.15,10.48,;-3.4,11.38,;-4.81,10.76,;-4.97,9.22,;-3.72,8.32,;-6.05,11.66,;-5.89,13.19,;-7.46,11.03,;-7.39,12.43,;2.07,8.6,;3.61,8.6,;5.15,5.94,;4.38,4.6,;5.15,3.27,;6.69,3.27,;7.46,4.6,;6.69,5.94,)|
CCN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:7.12,4.3,(7.45,-4.33,;6.68,-5.67,;5.14,-5.67,;4.37,-4.33,;4.37,-7,;3.6,-8.34,;2.06,-8.34,;1.29,-7,;.38,-5.76,;-1.08,-6.23,;-1.08,-7.77,;-2.33,-8.68,;.38,-8.25,;.86,-9.71,;-.17,-10.86,;-1.71,-10.86,;-1.71,-12.4,;-.17,-12.4,;-2.33,-5.33,;-2.16,-3.79,;-3.41,-2.89,;-4.82,-3.52,;-4.98,-5.05,;-3.73,-5.95,;-6.06,-2.61,;-7.4,-1.84,;2.06,-5.67,;3.6,-5.67,;5.14,-8.34,;4.37,-9.67,;5.14,-11,;6.68,-11,;7.45,-9.67,;6.68,-8.34,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(C)CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.33,-19.55,;4.73,-21.04,;6.22,-21.44,;3.64,-22.13,;2.87,-23.46,;1.33,-23.46,;.56,-22.13,;-.34,-20.88,;-1.81,-21.36,;-1.81,-22.9,;-3.05,-23.8,;-.34,-23.37,;.13,-24.84,;-.9,-25.98,;.59,-26.38,;-2.44,-25.98,;-2.44,-27.52,;-.9,-27.52,;-2.9,-20.27,;-2.5,-18.78,;-3.59,-17.69,;-5.08,-18.09,;-5.47,-19.58,;-4.38,-20.67,;-6.16,-17,;-7.25,-15.91,;1.33,-20.79,;2.87,-20.79,;4.73,-23.22,;4.33,-24.7,;5.42,-25.79,;6.91,-25.4,;7.31,-23.91,;6.22,-22.82,)|
CN(C)C(=O)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:11.11,14.18,(-1.89,17.3,;-.86,18.44,;.65,18.12,;-1.34,19.91,;-2.84,20.23,;-.31,21.05,;-.78,22.52,;-2.25,22.99,;-3.49,22.09,;-2.25,24.53,;-.78,25.01,;.12,23.76,;.89,22.43,;2.43,22.43,;3.2,23.76,;2.43,25.1,;.89,25.1,;3.97,25.1,;3.2,26.43,;5.51,25.1,;3.97,22.43,;3.2,21.09,;3.97,19.76,;5.51,19.76,;6.28,21.09,;5.51,22.43,;-3.34,25.62,;-2.94,27.11,;-4.03,28.2,;-5.51,27.8,;-5.91,26.31,;-4.82,25.22,;-6.6,28.89,;-7.69,29.98,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.02,11.95,;4.42,10.46,;3.33,9.37,;2.56,8.04,;1.02,8.04,;.25,9.37,;-.66,10.62,;-2.12,10.14,;-2.12,8.6,;-3.37,7.7,;-.66,8.13,;-.18,6.66,;-1.21,5.52,;-2.75,5.52,;-2.75,3.98,;-1.21,3.98,;-3.45,10.91,;-3.45,12.45,;-4.79,13.22,;-6.12,12.45,;-6.12,10.91,;-4.79,10.14,;-7.45,13.22,;-8.79,13.99,;-6.68,14.56,;-8.22,11.89,;1.02,10.71,;2.56,10.71,;4.66,8.6,;4.66,7.06,;6,6.29,;7.33,7.06,;7.33,8.6,;6,9.37,)|
COCCCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1cccc(F)c1)c1cnc(nc1)C#N |r,wU:11.11,14.18,(.18,-13.12,;.95,-11.79,;.18,-10.46,;.95,-9.12,;.18,-7.79,;.95,-6.46,;.18,-5.12,;-1.28,-4.65,;-2.53,-5.55,;-1.28,-3.11,;.18,-2.63,;1.09,-3.88,;1.86,-5.21,;3.4,-5.21,;4.17,-3.88,;3.4,-2.54,;1.86,-2.54,;4.94,-2.54,;4.17,-1.21,;6.48,-2.54,;4.94,-5.21,;4.17,-6.54,;4.94,-7.88,;6.48,-7.88,;7.25,-6.54,;8.79,-6.54,;6.48,-5.21,;-2.62,-2.34,;-2.62,-.8,;-3.95,-.03,;-5.28,-.8,;-5.28,-2.34,;-3.95,-3.11,;-6.62,-.03,;-7.95,.74,)|
COCCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1OC)C#N |r,wU:10.10,13.17,(-.8,-29.98,;-1.28,-28.51,;-.25,-27.37,;-.72,-25.9,;.31,-24.76,;-.17,-23.29,;-1.64,-22.82,;-2.88,-23.72,;-1.64,-21.28,;-.17,-20.8,;.73,-22.05,;1.5,-23.38,;3.04,-23.38,;3.81,-22.05,;3.04,-20.71,;1.5,-20.71,;4.58,-20.71,;3.81,-19.38,;6.12,-20.71,;4.58,-23.38,;3.81,-24.72,;4.58,-26.05,;6.12,-26.05,;6.89,-24.72,;6.12,-23.38,;-2.97,-20.51,;-4.3,-21.28,;-5.64,-20.51,;-5.64,-18.97,;-4.3,-18.2,;-2.97,-18.97,;-1.64,-18.2,;-1.64,-16.66,;-6.97,-18.2,;-8.3,-17.43,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.2,23.24,;3.97,21.91,;5.51,21.91,;3.2,20.58,;2.43,19.24,;.89,19.24,;.12,20.58,;-.79,21.82,;-2.25,21.35,;-2.25,19.81,;-3.5,18.9,;-.79,19.33,;-.31,17.87,;-1.34,16.72,;-2.88,16.64,;-2.8,15.1,;-1.26,15.18,;.14,16.32,;1.63,15.92,;-3.5,22.25,;-3.34,23.78,;-4.58,24.69,;-5.99,24.06,;-6.15,22.53,;-4.91,21.62,;-7.24,24.97,;-8.33,26.06,;.89,21.91,;2.43,21.91,;3.97,19.24,;3.2,17.91,;3.97,16.57,;5.51,16.57,;6.28,17.91,;5.51,19.24,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(=O)NCC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(6.03,10.06,;6.8,8.73,;8.34,8.73,;6.03,7.39,;5.26,6.06,;3.72,6.06,;2.95,7.39,;2.04,8.64,;.58,8.16,;.58,6.62,;-.67,5.72,;2.04,6.15,;2.52,4.68,;1.49,3.54,;-.05,3.54,;-.05,2,;1.49,2,;-.76,8.93,;-.76,10.47,;-2.09,11.24,;-3.43,10.47,;-3.43,8.93,;-2.09,8.16,;-4.76,11.24,;-4.76,12.78,;-6.09,10.47,;-7.43,11.24,;-8.76,10.47,;-10.25,10.87,;-10.65,9.38,;-9.16,8.99,;3.72,8.73,;5.26,8.73,;6.8,6.06,;6.03,4.73,;6.8,3.39,;8.34,3.39,;9.11,4.73,;10.65,4.73,;8.34,6.06,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CCCOC)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.27,-3.54,;4.04,-4.87,;3.27,-6.21,;2.5,-7.54,;.96,-7.54,;.19,-6.21,;-.71,-4.96,;-2.18,-5.44,;-2.18,-6.98,;-3.42,-7.88,;-.71,-7.45,;-.23,-8.92,;-1.27,-10.06,;-.79,-11.53,;-1.82,-12.67,;-1.34,-14.13,;-3.42,-4.53,;-3.26,-3,;-4.51,-2.09,;-5.91,-2.72,;-6.07,-4.25,;-4.83,-5.16,;-7.16,-1.82,;-8.4,-.91,;.96,-4.87,;2.5,-4.87,;4.04,-7.54,;3.27,-8.87,;4.04,-10.21,;5.58,-10.21,;6.35,-8.87,;5.58,-7.54,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2C)c2cnc(nc2)C#N)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(3.85,-19.39,;4.62,-20.72,;6.16,-20.72,;3.85,-22.05,;3.08,-23.39,;1.54,-23.39,;.77,-22.05,;-.14,-20.81,;-1.6,-21.28,;-1.6,-22.82,;-2.85,-23.73,;-.14,-23.3,;.34,-24.76,;-2.94,-20.51,;-2.94,-18.97,;-4.27,-18.2,;-5.6,-18.97,;-5.6,-20.51,;-4.27,-21.28,;-6.94,-18.2,;-8.27,-17.43,;1.54,-20.72,;3.08,-20.72,;4.62,-23.39,;3.85,-24.72,;4.62,-26.06,;6.16,-26.06,;6.93,-24.72,;8.47,-24.72,;6.16,-23.39,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CCCOC)c2cnc(nc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.52,28.2,;5.29,26.87,;4.52,25.53,;3.75,24.2,;2.21,24.2,;1.44,25.53,;.53,26.78,;-.93,26.3,;-.93,24.76,;-2.18,23.86,;.53,24.29,;1.01,22.82,;-.02,21.68,;.46,20.21,;-.58,19.07,;-.1,17.61,;-2.26,27.07,;-3.6,26.3,;-4.93,27.07,;-4.93,28.61,;-3.6,29.38,;-2.26,28.61,;-.93,29.38,;-.93,30.92,;-6.27,29.38,;-7.6,30.15,;2.21,26.87,;3.75,26.87,;5.29,24.2,;4.52,22.87,;5.29,21.53,;6.83,21.53,;7.6,22.87,;6.83,24.2,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ccnc(n1)C#N |r,wU:9.9,12.16,(-1.52,.45,;-.75,1.78,;-1.52,3.12,;-.75,4.45,;-1.23,5.92,;-2.69,6.39,;-3.94,5.49,;-2.69,7.93,;-1.23,8.41,;-.32,7.16,;.45,5.83,;1.99,5.83,;2.76,7.16,;1.99,8.5,;.45,8.5,;3.85,8.25,;5.33,7.85,;3.45,9.74,;3.69,5.94,;3.1,4.52,;4.04,3.3,;5.57,3.5,;6.16,4.92,;5.22,6.14,;-3.78,9.02,;-5.27,8.62,;-6.36,9.71,;-5.96,11.2,;-4.47,11.6,;-3.38,10.51,;-4.07,13.09,;-3.67,14.57,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1OC)C#N |r,wU:9.9,12.16,(-1.35,-15.23,;-.32,-14.09,;-.79,-12.62,;.24,-11.48,;-.24,-10.01,;-1.7,-9.54,;-2.95,-10.44,;-1.7,-8,;-.24,-7.52,;.67,-8.77,;1.44,-10.1,;2.98,-10.1,;3.75,-8.77,;2.98,-7.43,;1.44,-7.43,;4.84,-7.68,;6.32,-8.08,;4.44,-6.19,;4.68,-9.99,;4.09,-11.41,;5.03,-12.64,;6.56,-12.44,;7.15,-11.01,;6.21,-9.79,;-2.79,-6.91,;-4.28,-7.31,;-5.37,-6.22,;-4.97,-4.73,;-3.48,-4.33,;-2.39,-5.42,;-1.06,-4.65,;-.66,-3.16,;-6.06,-3.64,;-7.15,-2.55,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccnc(n2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.33,-24.84,;3.85,-24.44,;3.45,-22.95,;2.76,-25.53,;1.99,-26.86,;.45,-26.86,;-.32,-25.53,;-1.23,-24.28,;-2.69,-24.76,;-2.69,-26.3,;-3.94,-27.2,;-1.23,-26.78,;-.75,-28.24,;-1.78,-29.38,;-3.32,-29.38,;-3.32,-30.92,;-1.78,-30.92,;-3.78,-23.67,;-5.27,-24.07,;-6.36,-22.98,;-5.96,-21.49,;-4.47,-21.09,;-3.38,-22.18,;-4.07,-19.61,;-3.67,-18.12,;.45,-24.2,;1.99,-24.2,;3.69,-26.75,;3.1,-28.17,;4.04,-29.4,;5.57,-29.2,;6.16,-27.77,;5.22,-26.55,)|
CSc1cc(ncn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.27,13.17,(-7.3,21.42,;-6.9,22.91,;-5.41,23.31,;-4.32,22.22,;-2.84,22.62,;-2.44,24.11,;-3.53,25.19,;-5.01,24.8,;-1.75,21.53,;-.28,22.01,;.62,20.76,;1.39,19.43,;2.93,19.43,;3.7,20.76,;2.93,22.09,;1.39,22.09,;4.79,21.85,;6.28,21.45,;4.39,23.34,;4.64,19.53,;4.04,18.11,;4.97,16.89,;6.5,17.08,;7.09,18.5,;6.16,19.73,;-.28,19.51,;.19,18.05,;-.84,16.9,;-2.38,16.9,;-2.38,15.36,;-.84,15.36,;-1.75,19.99,;-2.99,19.08,)|
CN(C)C(=O)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ccnc(n1)C#N |r,wU:11.11,14.18,(-4.44,3.05,;-3.11,2.28,;-3.51,.8,;-1.78,1.51,;-1.3,.05,;-.75,2.66,;-1.22,4.12,;-2.69,4.6,;-3.93,3.69,;-2.69,6.14,;-1.22,6.61,;-.32,5.37,;.45,4.03,;1.99,4.03,;2.76,5.37,;1.99,6.7,;.45,6.7,;3.85,6.46,;5.34,6.06,;3.45,7.94,;3.69,4.14,;3.1,2.72,;4.03,1.5,;5.56,1.69,;6.15,3.11,;5.22,4.34,;-3.78,7.23,;-5.26,6.83,;-6.35,7.92,;-5.95,9.4,;-4.47,9.8,;-3.38,8.71,;-4.07,11.29,;-3.67,12.78,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cc(ncn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.77,-7.2,;5.28,-6.8,;4.89,-5.31,;4.2,-7.89,;3.43,-9.22,;1.89,-9.22,;1.12,-7.89,;.21,-6.64,;-1.25,-7.12,;-1.25,-8.66,;-2.5,-9.56,;.21,-9.13,;.69,-10.6,;-.34,-11.74,;-1.88,-11.74,;-1.88,-13.28,;-.34,-13.28,;-2.34,-6.03,;-3.83,-6.43,;-4.92,-5.34,;-4.52,-3.85,;-3.03,-3.45,;-1.94,-4.54,;-6.25,-6.11,;-7.59,-6.88,;1.89,-6.55,;3.43,-6.55,;5.13,-9.11,;4.53,-10.53,;5.46,-11.76,;6.99,-11.56,;7.59,-10.14,;6.66,-8.92,)|
CN(C)C(=O)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ccccc1 |r,wU:11.11,14.18,(-4.46,-22.64,;-3.13,-23.41,;-3.68,-24.85,;-1.62,-23.73,;-1.15,-25.19,;-.59,-22.59,;-1.07,-21.12,;-2.53,-20.65,;-3.78,-21.55,;-2.53,-19.11,;-1.07,-18.63,;-.16,-19.88,;.61,-21.21,;2.15,-21.21,;2.92,-19.88,;2.15,-18.54,;.61,-18.54,;3.69,-18.54,;2.92,-17.21,;5.23,-18.54,;3.69,-21.21,;2.92,-22.54,;3.69,-23.88,;5.23,-23.88,;6,-22.54,;5.23,-21.21,;-3.62,-18.02,;-3.22,-16.53,;-4.31,-15.44,;-5.8,-15.84,;-6.2,-17.33,;-5.11,-18.42,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.92,25.67,;3.69,24.34,;5.23,24.34,;2.92,23.01,;2.15,21.67,;.61,21.67,;-.16,23.01,;-1.07,24.25,;-2.53,23.78,;-2.53,22.24,;-3.78,21.33,;-1.07,21.76,;-.59,20.3,;-1.36,18.96,;-2.85,18.56,;-2.45,17.08,;-.96,17.47,;-3.62,24.86,;-3.22,26.35,;-4.31,27.44,;-5.8,27.04,;-6.2,25.56,;-5.11,24.47,;.61,24.34,;2.15,24.34,;3.69,21.67,;2.92,20.34,;3.69,19,;5.23,19,;6,20.34,;5.23,21.67,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ncc(cn1)C#N |r,wU:9.9,12.16,(-1.91,.98,;-.83,2.07,;-.83,3.61,;.26,4.7,;-.21,6.17,;-1.68,6.64,;-2.92,5.74,;-1.68,8.18,;-.21,8.66,;.69,7.41,;1.46,6.08,;3,6.08,;3.77,7.41,;3,8.75,;1.46,8.75,;4.86,8.5,;6.35,8.1,;4.46,9.99,;4.68,6.17,;4.06,4.76,;4.97,3.52,;6.5,3.68,;7.12,5.09,;6.21,6.33,;-2.77,9.27,;-2.37,10.76,;-3.46,11.85,;-4.94,11.45,;-5.34,9.96,;-4.25,8.87,;-6.03,12.54,;-7.12,13.63,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ccccc1 |r,wU:9.9,12.16,(-3.26,-11.7,;-1.93,-10.93,;-1.93,-9.39,;-.59,-8.62,;-1.07,-7.15,;-2.53,-6.68,;-3.78,-7.58,;-2.53,-5.14,;-1.07,-4.66,;-.16,-5.91,;.61,-7.24,;2.15,-7.24,;2.92,-5.91,;2.15,-4.57,;.61,-4.57,;3.69,-4.57,;2.92,-3.24,;5.23,-4.57,;3.69,-7.24,;2.92,-8.57,;3.69,-9.91,;5.23,-9.91,;6,-8.57,;5.23,-7.24,;-3.62,-4.05,;-3.22,-2.56,;-4.31,-1.47,;-5.8,-1.87,;-6.2,-3.36,;-5.11,-4.44,)|
COCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(cc1C)C#N |r,wU:9.9,12.16,(-1.73,-27.44,;-.4,-26.67,;-.4,-25.13,;.69,-24.04,;-.08,-22.71,;-1.54,-22.23,;-2.79,-23.14,;-1.54,-20.69,;-.08,-20.22,;.83,-21.46,;1.6,-22.8,;3.14,-22.8,;3.91,-21.46,;3.14,-20.13,;1.6,-20.13,;4.68,-20.13,;3.91,-18.8,;6.22,-20.13,;4.68,-22.8,;3.91,-24.13,;4.68,-25.46,;6.22,-25.46,;6.99,-24.13,;6.22,-22.8,;-2.63,-19.6,;-4.12,-20,;-5.21,-18.91,;-4.81,-17.43,;-3.32,-17.03,;-2.23,-18.12,;-.75,-17.72,;-5.9,-16.34,;-6.99,-15.25,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC(=O)N(C)C)c2ccccc2)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.32,25.03,;3.71,23.54,;2.63,22.45,;1.86,21.12,;.32,21.12,;-.45,22.45,;-1.36,23.7,;-2.82,23.22,;-2.82,21.68,;-4.07,20.78,;-1.36,21.21,;-.88,19.74,;-1.91,18.6,;-3.42,18.92,;-1.44,17.13,;-2.47,15.99,;.07,16.81,;-3.91,24.31,;-3.51,25.8,;-4.6,26.89,;-6.09,26.49,;-6.49,25,;-5.4,23.91,;.32,23.79,;1.86,23.79,;3.71,21.37,;3.32,19.88,;4.4,18.79,;5.89,19.19,;6.29,20.67,;5.2,21.76,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.22,10.5,;4.99,9.17,;4.22,7.83,;3.45,6.5,;1.91,6.5,;1.14,7.83,;.24,9.08,;-1.23,8.6,;-1.23,7.06,;-2.47,6.16,;.24,6.59,;.71,5.12,;-.32,3.98,;-1.86,3.9,;-1.78,2.36,;-.24,2.44,;1.17,3.58,;2.66,3.18,;-2.47,9.51,;-2.31,11.04,;-3.56,11.94,;-4.97,11.32,;-5.13,9.79,;-3.88,8.88,;-6.21,12.22,;-7.3,13.31,;1.91,9.17,;3.45,9.17,;4.99,6.5,;4.22,5.17,;4.99,3.83,;6.53,3.83,;7.3,5.17,;6.53,6.5,)|
CCN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:7.12,4.3,(7.3,-3.65,;6.53,-4.98,;4.99,-4.98,;4.22,-3.65,;4.22,-6.31,;3.45,-7.65,;1.91,-7.65,;1.14,-6.31,;.24,-5.07,;-1.23,-5.54,;-1.23,-7.08,;-2.47,-7.99,;.24,-7.56,;.71,-9.03,;-.32,-10.17,;-1.86,-10.25,;-1.78,-11.79,;-.24,-11.71,;1.17,-10.57,;2.66,-10.97,;-2.47,-4.64,;-2.31,-3.11,;-3.56,-2.2,;-4.97,-2.83,;-5.13,-4.36,;-3.88,-5.27,;-6.21,-1.92,;-7.3,-.83,;1.91,-4.98,;3.45,-4.98,;4.99,-7.65,;4.22,-8.98,;4.99,-10.32,;6.53,-10.32,;7.3,-8.98,;6.53,-7.65,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.91,-18.75,;4.68,-20.08,;6.22,-20.08,;3.91,-21.42,;3.14,-22.75,;1.6,-22.75,;.83,-21.42,;-.08,-20.17,;-1.54,-20.65,;-1.54,-22.19,;-2.79,-23.09,;-.08,-22.66,;.4,-24.13,;-.63,-25.27,;.86,-25.67,;-2.17,-25.35,;-2.09,-26.89,;-.55,-26.81,;-2.63,-19.56,;-2.23,-18.07,;-3.32,-16.98,;-4.81,-17.38,;-5.21,-18.87,;-4.12,-19.96,;-5.9,-16.29,;-6.99,-15.2,;1.6,-20.08,;3.14,-20.08,;4.68,-22.75,;3.91,-24.08,;4.68,-25.42,;6.22,-25.42,;6.99,-24.08,;6.22,-22.75,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cccc(c2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.51,25.32,;5.28,23.98,;6.82,23.98,;4.51,22.65,;3.74,21.32,;2.2,21.32,;1.43,22.65,;.52,23.9,;-.94,23.42,;-.94,21.88,;-2.19,20.98,;.52,21.4,;1,19.94,;-.03,18.8,;1.45,18.4,;-1.57,18.8,;-1.57,17.26,;-.03,17.26,;-2.03,24.51,;-1.64,26,;-2.72,27.09,;-4.21,26.69,;-4.61,25.2,;-3.52,24.11,;-6.1,24.8,;-7.59,24.4,;2.2,23.98,;3.74,23.98,;5.28,21.32,;4.51,19.98,;5.28,18.65,;6.82,18.65,;7.59,19.98,;6.82,21.32,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(CCC2)C#N)c2ccc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.15,11.34,;4.92,10,;6.46,10,;4.15,8.67,;3.38,7.34,;1.84,7.34,;1.07,8.67,;.17,9.92,;-1.3,9.44,;-1.3,7.9,;-2.54,6.99,;.17,7.42,;.64,5.96,;-.39,4.81,;-1.93,4.81,;-1.93,3.27,;-.39,3.27,;.95,4.04,;2.28,3.27,;-2.39,10.53,;-1.99,12.02,;-3.08,13.1,;-4.56,12.71,;-4.96,11.22,;-3.87,10.13,;-5.9,13.48,;-7.23,14.25,;1.84,10,;3.38,10,;4.92,7.34,;4.15,6,;4.92,4.67,;6.46,4.67,;7.23,6,;6.46,7.34,)|
CCCNC(=O)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(nc1)C#N |r,wU:12.12,15.19,(-5.79,-11.78,;-4.7,-10.7,;-3.21,-11.09,;-2.12,-10,;-.63,-10.4,;-.2,-11.88,;.4,-9.26,;-.08,-7.79,;-1.54,-7.32,;-2.79,-8.22,;-1.54,-5.78,;-.08,-5.3,;.83,-6.55,;1.6,-7.88,;3.14,-7.88,;3.91,-6.55,;3.14,-5.21,;1.6,-5.21,;4.68,-5.21,;3.91,-3.88,;6.22,-5.21,;4.68,-7.88,;3.91,-9.22,;4.68,-10.55,;6.22,-10.55,;6.99,-9.22,;6.22,-7.88,;-2.63,-4.69,;-2.23,-3.2,;-3.32,-2.11,;-4.81,-2.51,;-5.21,-4,;-4.12,-5.09,;-5.9,-1.42,;-6.99,-.33,)|
CCN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2OC)C#N)CC1)c1ccccc1 |r,wU:7.12,4.3,(7.23,-19.02,;6.46,-20.36,;4.92,-20.36,;4.15,-19.02,;4.15,-21.69,;3.38,-23.02,;1.84,-23.02,;1.07,-21.69,;.17,-20.45,;-1.3,-20.92,;-1.3,-22.46,;-2.54,-23.37,;.17,-22.94,;.64,-24.4,;-.39,-25.55,;-1.93,-25.55,;-1.93,-27.09,;-.39,-27.09,;-2.39,-19.83,;-3.87,-20.23,;-4.96,-19.14,;-4.56,-17.65,;-3.08,-17.26,;-1.99,-18.34,;-.5,-17.95,;-.1,-16.46,;-5.9,-16.88,;-7.23,-16.11,;1.84,-20.36,;3.38,-20.36,;4.92,-23.02,;4.15,-24.36,;4.92,-25.69,;6.46,-25.69,;7.23,-24.36,;6.46,-23.02,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.91,25.21,;4.68,23.88,;3.91,22.54,;3.14,21.21,;1.6,21.21,;.83,22.54,;-.08,23.79,;-1.54,23.31,;-1.54,21.77,;-2.79,20.87,;-.08,21.3,;.4,19.83,;-.63,18.69,;-2.17,18.69,;-2.17,17.15,;-.63,17.15,;-2.63,24.4,;-4.12,24,;-5.21,25.09,;-4.81,26.58,;-3.32,26.98,;-2.23,25.89,;-.75,26.29,;.34,25.2,;-5.9,27.67,;-6.99,28.76,;1.6,23.88,;3.14,23.88,;4.68,21.21,;3.91,19.87,;4.68,18.54,;6.22,18.54,;6.99,19.87,;6.22,21.21,)|
COCCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ccc(nc1OC)C#N |r,wU:10.10,13.17,(-.1,.1,;-.58,1.57,;.46,2.71,;-.02,4.18,;1.01,5.32,;.53,6.79,;-.93,7.26,;-2.18,6.36,;-.93,8.8,;.53,9.28,;1.44,8.03,;2.21,6.7,;3.75,6.7,;4.52,8.03,;3.75,9.37,;2.21,9.37,;5.29,9.37,;4.52,10.7,;6.83,9.37,;5.29,6.7,;4.52,5.37,;5.29,4.03,;6.83,4.03,;7.6,5.37,;6.83,6.7,;-2.26,9.57,;-3.6,8.8,;-4.93,9.57,;-4.93,11.11,;-3.6,11.88,;-2.26,11.11,;-.93,11.88,;-.93,13.42,;-6.27,11.88,;-7.6,12.65,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.48,-6.26,;5.25,-7.59,;6.79,-7.59,;4.48,-8.92,;3.71,-10.26,;2.17,-10.26,;1.4,-8.92,;.49,-7.68,;-.97,-8.15,;-.97,-9.69,;-2.22,-10.6,;.49,-10.17,;.97,-11.63,;-.06,-12.78,;1.42,-13.18,;-1.6,-12.78,;-1.6,-14.32,;-.06,-14.32,;-2.06,-7.06,;-1.66,-5.58,;-2.75,-4.49,;-4.24,-4.89,;-4.64,-6.37,;-3.55,-7.46,;-5.33,-3.8,;-6.82,-4.2,;-4.93,-2.31,;2.17,-7.59,;3.71,-7.59,;5.25,-10.26,;4.48,-11.59,;5.25,-12.92,;6.79,-12.92,;7.56,-11.59,;6.79,-10.26,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.91,-20.69,;4.68,-22.03,;6.22,-22.03,;3.91,-23.36,;3.14,-24.7,;1.6,-24.7,;.83,-23.36,;-.08,-22.12,;-1.54,-22.59,;-1.54,-24.13,;-2.79,-25.04,;-.08,-24.61,;.4,-26.07,;-.63,-27.22,;.86,-27.61,;-2.17,-27.22,;-2.17,-28.76,;-.63,-28.76,;-2.63,-21.5,;-4.12,-21.9,;-5.21,-20.81,;-4.81,-19.32,;-3.32,-18.93,;-2.23,-20.01,;-5.9,-18.24,;-6.99,-17.15,;1.6,-22.03,;3.14,-22.03,;4.68,-24.7,;3.91,-26.03,;4.68,-27.36,;6.22,-27.36,;6.99,-26.03,;6.22,-24.7,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(nc2)C(=O)NCC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.45,23.4,;7.22,22.07,;8.76,22.07,;6.45,20.74,;5.68,19.4,;4.14,19.4,;3.37,20.74,;2.46,21.98,;1,21.51,;1,19.97,;-.25,19.06,;2.46,19.49,;2.94,18.02,;1.91,16.88,;3.39,16.48,;.37,16.88,;.37,15.34,;1.91,15.34,;-.09,22.59,;-1.58,22.2,;-2.67,23.28,;-2.27,24.77,;-.78,25.17,;.31,24.08,;-3.36,25.86,;-2.96,27.35,;-4.85,25.46,;-5.94,26.55,;-7.42,26.15,;-7.02,27.64,;-8.76,26.92,;-9.53,25.59,;-8.19,24.82,;4.14,22.07,;5.68,22.07,;7.22,19.4,;6.45,18.07,;7.22,16.73,;8.76,16.73,;9.53,18.07,;8.76,19.4,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(1.81,10.71,;2.58,9.37,;4.12,9.37,;1.81,8.04,;1.04,6.71,;-.5,6.71,;-1.27,8.04,;-2.18,9.29,;-3.64,8.81,;-3.64,7.27,;-4.89,6.36,;-2.18,6.79,;-1.7,5.33,;-2.73,4.19,;-1.25,3.79,;-4.27,4.19,;-4.27,2.65,;-2.73,2.65,;-4.73,9.9,;-4.33,11.39,;-5.42,12.48,;-6.91,12.08,;-7.31,10.59,;-6.22,9.5,;-6.62,8.01,;-7.02,6.53,;-.5,9.37,;1.04,9.37,;2.58,6.71,;1.81,5.37,;2.58,4.04,;4.12,4.04,;4.89,5.37,;4.12,6.71,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cccc(c2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(1.81,-4.56,;2.58,-5.89,;4.12,-5.89,;1.81,-7.23,;1.04,-8.56,;-.5,-8.56,;-1.27,-7.23,;-2.18,-5.98,;-3.64,-6.46,;-3.64,-8,;-4.89,-8.9,;-2.18,-8.47,;-1.7,-9.94,;-2.73,-11.08,;-4.27,-11.08,;-4.27,-12.62,;-2.73,-12.62,;-4.73,-5.37,;-6.22,-5.77,;-7.31,-4.68,;-6.91,-3.19,;-5.42,-2.79,;-4.33,-3.88,;-5.02,-1.3,;-4.63,.18,;-.5,-5.89,;1.04,-5.89,;2.58,-8.56,;1.81,-9.89,;2.58,-11.23,;4.12,-11.23,;4.89,-9.89,;4.12,-8.56,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.77,-19.58,;3.54,-20.91,;5.08,-20.91,;2.77,-22.25,;2,-23.58,;.46,-23.58,;-.31,-22.25,;-1.22,-21,;-2.68,-21.48,;-2.68,-23.02,;-3.93,-23.92,;-1.22,-23.49,;-.74,-24.96,;-1.77,-26.1,;-3.31,-26.1,;-3.31,-27.64,;-1.77,-27.64,;-3.77,-20.39,;-3.37,-18.9,;-4.46,-17.81,;-5.95,-18.21,;-6.35,-19.7,;-5.26,-20.78,;-7.04,-17.12,;-8.12,-16.03,;-5.95,-16.03,;-8.12,-18.21,;.46,-20.91,;2,-20.91,;3.54,-23.58,;2.77,-24.91,;3.54,-26.25,;5.08,-26.25,;5.85,-24.91,;5.08,-23.58,)|
COC(=O)c1cc(C)c(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.30,16.20,(-7.73,26.2,;-6.64,25.11,;-5.15,25.51,;-4.76,27,;-4.07,24.42,;-2.58,24.82,;-1.49,23.73,;-0,24.13,;-1.89,22.24,;-3.38,21.84,;-4.46,22.93,;-.8,21.15,;.67,21.63,;1.57,20.38,;2.34,19.05,;3.88,19.05,;4.65,20.38,;3.88,21.72,;2.34,21.72,;5.42,21.72,;4.65,23.05,;6.96,21.72,;5.42,19.05,;4.65,17.72,;5.42,16.38,;6.96,16.38,;7.73,17.72,;6.96,19.05,;.67,19.14,;1.14,17.67,;.11,16.53,;-1.43,16.53,;-1.43,14.99,;.11,14.99,;-.8,19.61,;-2.04,18.71,)|
COc1cnc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.27,13.17,(-7.19,11.96,;-5.7,12.36,;-4.62,11.27,;-3.13,11.67,;-2.04,10.58,;-2.44,9.09,;-3.93,8.69,;-5.01,9.78,;-1.35,8,;.12,8.48,;1.02,7.23,;1.79,5.9,;3.33,5.9,;4.1,7.23,;3.33,8.57,;1.79,8.57,;4.87,8.57,;4.1,9.9,;6.41,8.57,;4.87,5.9,;4.1,4.56,;4.87,3.23,;6.41,3.23,;7.18,4.56,;6.41,5.9,;.12,5.99,;.59,4.52,;-.44,3.38,;-1.98,3.38,;-1.98,1.84,;-.44,1.84,;-1.35,6.46,;-2.59,5.56,)|
COc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.27,13.17,(-7.19,-2.27,;-5.7,-1.87,;-4.62,-2.96,;-3.13,-2.56,;-2.04,-3.65,;-2.44,-5.14,;-3.93,-5.54,;-5.01,-4.45,;-1.35,-6.23,;.12,-5.75,;1.02,-7,;1.79,-8.33,;3.33,-8.33,;4.1,-7,;3.33,-5.66,;1.79,-5.66,;4.87,-5.66,;4.1,-4.33,;6.41,-5.66,;4.87,-8.33,;4.1,-9.67,;4.87,-11,;6.41,-11,;7.18,-9.67,;6.41,-8.33,;.12,-8.24,;.59,-9.71,;-.44,-10.85,;-1.98,-10.85,;-1.98,-12.39,;-.44,-12.39,;-1.35,-7.77,;-2.59,-8.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.01,-18.93,;4.78,-20.27,;6.32,-20.27,;4.01,-21.6,;3.24,-22.94,;1.7,-22.94,;.93,-21.6,;.03,-20.36,;-1.44,-20.83,;-1.44,-22.37,;-2.68,-23.28,;.03,-22.85,;.5,-24.31,;-.53,-25.46,;-2.07,-25.46,;-2.07,-27,;-.53,-27,;-2.53,-19.74,;-2.13,-18.26,;-3.22,-17.17,;-4.7,-17.56,;-5.1,-19.05,;-4.01,-20.14,;-5.79,-16.48,;-6.88,-15.39,;1.7,-20.27,;3.24,-20.27,;4.78,-22.94,;4.01,-24.27,;4.78,-25.6,;6.32,-25.6,;7.09,-24.27,;6.32,-22.94,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cc2C)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.01,24.08,;4.78,22.75,;6.32,22.75,;4.01,21.41,;3.24,20.08,;1.7,20.08,;.93,21.41,;.03,22.66,;-1.44,22.18,;-1.44,20.64,;-2.68,19.74,;.03,20.17,;.5,18.7,;-.53,17.56,;-2.07,17.56,;-2.07,16.02,;-.53,16.02,;-2.53,23.27,;-4.01,22.87,;-5.1,23.96,;-4.7,25.45,;-3.22,25.85,;-2.13,24.76,;-.64,25.16,;-5.79,26.54,;-6.88,27.63,;1.7,22.75,;3.24,22.75,;4.78,20.08,;4.01,18.74,;4.78,17.41,;6.32,17.41,;7.09,18.74,;6.32,20.08,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ncc(F)cn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.44,10.6,;4.21,9.26,;5.75,9.26,;3.44,7.93,;2.67,6.6,;1.13,6.6,;.36,7.93,;-.54,9.17,;-2.01,8.7,;-2.01,7.16,;-3.25,6.25,;-.54,6.68,;-.07,5.22,;-1.1,4.07,;-2.64,4.07,;-2.64,2.53,;-1.1,2.53,;-3.1,9.79,;-2.7,11.28,;-3.79,12.36,;-5.28,11.97,;-6.36,13.05,;-5.67,10.48,;-4.59,9.39,;1.13,9.26,;2.67,9.26,;4.21,6.6,;3.44,5.26,;4.21,3.93,;5.75,3.93,;6.52,5.26,;5.75,6.6,)|
COc1cc(ccc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O)C#N |r,wU:10.27,13.17,(.45,-4.1,;-.64,-3.01,;-2.13,-3.41,;-3.22,-2.32,;-4.7,-2.72,;-5.1,-4.21,;-4.01,-5.3,;-2.53,-4.9,;-1.44,-5.99,;.03,-5.51,;.93,-6.76,;1.7,-8.09,;3.24,-8.09,;4.01,-6.76,;3.24,-5.42,;1.7,-5.42,;4.78,-5.42,;4.01,-4.09,;6.32,-5.42,;4.78,-8.09,;4.01,-9.42,;4.78,-10.76,;6.32,-10.76,;7.09,-9.42,;6.32,-8.09,;.03,-8,;.5,-9.47,;-.53,-10.61,;-2.07,-10.61,;-2.07,-12.15,;-.53,-12.15,;-1.44,-7.53,;-2.68,-8.43,;-5.79,-1.63,;-6.88,-.54,)|
COC(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.29,15.19,(-7.73,-16.42,;-6.64,-17.5,;-5.15,-17.11,;-4.76,-15.62,;-4.07,-18.2,;-2.58,-17.8,;-1.49,-18.89,;-1.89,-20.37,;-3.38,-20.77,;-4.46,-19.68,;-.8,-21.46,;.67,-20.99,;1.57,-22.23,;2.34,-23.57,;3.88,-23.57,;4.65,-22.23,;3.88,-20.9,;2.34,-20.9,;5.42,-20.9,;4.65,-19.56,;6.96,-20.9,;5.42,-23.57,;4.65,-24.9,;5.42,-26.23,;6.96,-26.23,;7.73,-24.9,;6.96,-23.57,;.67,-23.48,;1.14,-24.94,;.11,-26.09,;-1.43,-26.09,;-1.43,-27.63,;.11,-27.63,;-.8,-23,;-2.04,-23.91,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cccc(c2)N2CCCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.08,25.23,;5.85,23.89,;7.39,23.89,;5.08,22.56,;4.31,21.22,;2.77,21.22,;2,22.56,;1.09,23.8,;-.37,23.33,;-.37,21.79,;-1.62,20.88,;1.09,21.31,;1.57,19.85,;.54,18.7,;-1,18.7,;-1,17.16,;.54,17.16,;-1.62,24.23,;-1.46,25.76,;-2.7,26.67,;-4.11,26.04,;-4.27,24.51,;-3.03,23.61,;-5.68,23.89,;-7.01,24.66,;-8.16,23.62,;-7.53,22.22,;-6,22.38,;2.77,23.89,;4.31,23.89,;5.85,21.22,;5.08,19.89,;5.85,18.56,;7.39,18.56,;8.16,19.89,;7.39,21.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(s2)-c2ccccn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.3,12.7,;6.07,11.36,;7.61,11.36,;5.3,10.03,;4.53,8.69,;2.99,8.69,;2.22,10.03,;1.32,11.27,;-.15,10.8,;-.15,9.26,;-1.39,8.35,;1.32,8.78,;1.79,7.32,;.76,6.17,;-.78,6.17,;-.78,4.63,;.76,4.63,;-1.39,11.7,;-1.39,13.24,;-2.86,13.72,;-3.76,12.47,;-2.86,11.23,;-5.3,12.47,;-6.07,13.81,;-7.61,13.81,;-8.38,12.47,;-7.61,11.14,;-6.07,11.14,;2.99,11.36,;4.53,11.36,;6.07,8.69,;5.3,7.36,;6.07,6.03,;7.61,6.03,;8.38,7.36,;7.61,8.69,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2S(C)(=O)=O)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.18,-2.97,;4.95,-4.3,;6.49,-4.3,;4.18,-5.63,;3.41,-6.97,;1.87,-6.97,;1.1,-5.63,;.19,-4.39,;-1.27,-4.86,;-1.27,-6.4,;-2.52,-7.31,;.19,-6.88,;.67,-8.34,;-.36,-9.49,;-1.9,-9.49,;-1.9,-11.03,;-.36,-11.03,;-2.36,-3.78,;-3.85,-4.17,;-4.94,-3.08,;-4.54,-1.6,;-3.05,-1.2,;-1.96,-2.29,;-.47,-1.89,;.62,-2.98,;-.87,-.4,;.62,-.8,;-5.63,-.51,;-7.11,-.91,;-5.23,.98,;-6.71,.58,;1.87,-4.3,;3.41,-4.3,;4.95,-6.97,;4.18,-8.3,;4.95,-9.64,;6.49,-9.64,;7.26,-8.3,;6.49,-6.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.18,-18.61,;4.95,-19.94,;6.49,-19.94,;4.18,-21.27,;3.41,-22.61,;1.87,-22.61,;1.1,-21.27,;.19,-20.03,;-1.27,-20.5,;-1.27,-22.04,;-2.52,-22.95,;.19,-22.52,;.67,-23.99,;-.36,-25.13,;-1.9,-25.13,;-1.9,-26.67,;-.36,-26.67,;-2.36,-19.42,;-3.85,-19.81,;-4.94,-18.73,;-4.54,-17.24,;-3.05,-16.84,;-1.96,-17.93,;-5.63,-16.15,;-7.11,-16.55,;-5.23,-14.66,;-6.71,-15.06,;1.87,-19.94,;3.41,-19.94,;4.95,-22.61,;4.18,-23.94,;4.95,-25.28,;6.49,-25.28,;7.26,-23.94,;6.49,-22.61,)|
COc1ccc(N2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c(OC)c1 |r,wU:8.24,11.14,(-7.92,25.09,;-6.58,25.86,;-5.25,25.09,;-5.25,23.55,;-3.92,22.78,;-2.58,23.55,;-1.25,22.78,;.16,23.41,;1.19,22.26,;2.09,21.02,;3.62,21.18,;4.25,22.58,;3.35,23.83,;1.81,23.67,;4.88,23.99,;6.41,24.15,;3.97,25.24,;5.34,21.49,;4.94,20.01,;6.03,18.92,;7.52,19.32,;7.92,20.8,;6.83,21.89,;.42,20.93,;1.04,19.52,;.14,18.28,;-1.38,18.03,;-1.14,16.51,;.38,16.75,;-1.09,21.25,;-2.23,20.22,;-2.58,25.09,;-1.25,25.86,;.08,25.09,;-3.92,25.86,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cc(ccc2C#N)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,11.96,;5.42,10.63,;6.96,10.63,;4.65,9.29,;3.88,7.96,;2.34,7.96,;1.57,9.29,;.66,10.54,;-.8,10.06,;-.8,8.52,;-2.05,7.62,;.66,8.05,;1.14,6.58,;.11,5.44,;-1.43,5.44,;-1.43,3.9,;.11,3.9,;-1.98,11.06,;-3.43,10.53,;-4.6,11.53,;-4.33,13.04,;-2.88,13.57,;-1.71,12.57,;-.26,13.1,;1.19,13.62,;-6.05,11.01,;-7.23,12,;-7.5,10.48,;-4.88,10.01,;2.34,10.63,;3.88,10.63,;5.42,7.96,;4.65,6.63,;5.42,5.29,;6.96,5.29,;7.73,6.63,;6.96,7.96,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(F)c(c2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.62,-3.45,;4.39,-4.78,;5.93,-4.78,;3.62,-6.12,;2.85,-7.45,;1.31,-7.45,;.54,-6.12,;-.37,-4.87,;-1.83,-5.35,;-1.83,-6.89,;-3.08,-7.79,;-.37,-7.36,;.11,-8.83,;-.92,-9.97,;-2.46,-9.97,;-2.46,-11.51,;-.92,-11.51,;-3.01,-4.35,;-4.46,-4.88,;-5.63,-3.88,;-5.36,-2.37,;-6.54,-1.37,;-3.91,-1.84,;-2.74,-2.84,;-3.64,-.33,;-3.24,1.16,;1.31,-4.78,;2.85,-4.78,;4.39,-7.45,;3.62,-8.78,;4.39,-10.12,;5.93,-10.12,;6.7,-8.78,;5.93,-7.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2C(F)(F)F)S(=O)(=O)N(C)C)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.85,-17.8,;5.62,-19.13,;7.16,-19.13,;4.85,-20.46,;4.08,-21.8,;2.54,-21.8,;1.77,-20.46,;.87,-19.22,;-.6,-19.69,;-.6,-21.23,;-1.84,-22.14,;.87,-21.71,;1.34,-23.18,;.31,-24.32,;-1.23,-24.32,;-1.23,-25.86,;.31,-25.86,;-1.78,-18.7,;-3.22,-19.22,;-4.4,-18.23,;-4.13,-16.71,;-2.68,-16.19,;-1.5,-17.19,;-.05,-16.66,;1.49,-16.66,;.34,-15.18,;1.03,-17.75,;-5.31,-15.72,;-5.31,-14.18,;-3.82,-15.32,;-6.75,-16.24,;-7.03,-17.76,;-7.93,-15.25,;2.54,-19.13,;4.08,-19.13,;5.62,-21.8,;4.85,-23.13,;5.62,-24.47,;7.16,-24.47,;7.93,-23.13,;7.16,-21.8,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.03,25.39,;3.8,24.05,;5.34,24.05,;3.03,22.72,;2.26,21.39,;.72,21.39,;-.05,22.72,;-.96,23.97,;-2.42,23.49,;-2.42,21.95,;-3.67,21.04,;-.96,21.47,;-.48,20.01,;-1.51,18.86,;-3.05,18.86,;-3.05,17.32,;-1.51,17.32,;-3.6,24.48,;-5.05,23.96,;-6.23,24.95,;-5.95,26.47,;-4.5,26.99,;-3.33,26,;-1.88,26.52,;-.43,27.04,;.72,24.05,;2.26,24.05,;3.8,21.39,;3.03,20.05,;3.8,18.72,;5.34,18.72,;6.11,20.05,;5.34,21.39,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cn3cc(C)nc3cn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.42,9.91,;4.19,8.58,;5.73,8.58,;3.42,7.24,;2.65,5.91,;1.11,5.91,;.34,7.24,;-.56,8.49,;-2.03,8.01,;-2.03,6.47,;-3.27,5.57,;-.56,6,;-.09,4.53,;-1.12,3.39,;-2.66,3.39,;-2.66,1.85,;-1.12,1.85,;-3.2,9.01,;-2.93,10.52,;-4.11,11.52,;-4.11,13.06,;-5.56,13.49,;-6.07,14.94,;-6.42,12.21,;-5.56,10.99,;-5.83,9.48,;-4.65,8.49,;1.11,8.58,;2.65,8.58,;4.19,5.91,;3.42,4.58,;4.19,3.24,;5.73,3.24,;6.5,4.58,;5.73,5.91,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.33,-4.67,;5.1,-6,;6.64,-6,;4.33,-7.34,;3.56,-8.67,;2.02,-8.67,;1.25,-7.34,;.35,-6.09,;-1.12,-6.57,;-1.12,-8.11,;-2.36,-9.01,;.35,-8.58,;.82,-10.05,;-.21,-11.19,;-1.75,-11.19,;-1.75,-12.73,;-.21,-12.73,;-2.3,-5.57,;-3.74,-6.09,;-4.92,-5.1,;-4.65,-3.58,;-3.2,-3.06,;-2.02,-4.06,;-5.83,-2.59,;-5.43,-1.1,;-7.31,-2.19,;-6.91,-3.68,;2.02,-6,;3.56,-6,;5.1,-8.67,;4.33,-10,;5.1,-11.34,;6.64,-11.34,;7.41,-10,;6.64,-8.67,)|
COc1ccc(N2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c(c1)C#N |r,wU:8.24,11.14,(-7.41,-17.43,;-5.96,-16.9,;-4.79,-17.9,;-5.06,-19.41,;-3.88,-20.41,;-2.43,-19.88,;-1.26,-20.88,;.21,-20.4,;1.11,-21.65,;1.88,-22.98,;3.42,-22.98,;4.19,-21.65,;3.42,-20.31,;1.88,-20.31,;4.96,-20.31,;4.19,-18.98,;6.5,-20.31,;4.96,-22.98,;4.19,-24.32,;4.96,-25.65,;6.5,-25.65,;7.27,-24.32,;6.5,-22.98,;.21,-22.89,;.69,-24.36,;-.35,-25.5,;-1.89,-25.5,;-1.89,-27.04,;-.35,-27.04,;-1.26,-22.42,;-2.5,-23.32,;-2.16,-18.37,;-3.34,-17.38,;-.71,-17.85,;.62,-17.08,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.09,25.44,;3.86,24.11,;5.4,24.11,;3.09,22.78,;2.32,21.44,;.78,21.44,;.01,22.78,;-.89,24.02,;-2.36,23.55,;-2.36,22.01,;-3.6,21.1,;-.89,21.53,;-.42,20.07,;-1.45,18.92,;-2.99,18.92,;-2.99,17.38,;-1.45,17.38,;-3.54,24.54,;-3.26,26.06,;-4.44,27.05,;-5.89,26.53,;-6.16,25.01,;-4.98,24.02,;.78,24.11,;2.32,24.11,;3.86,21.44,;3.09,20.11,;3.86,18.78,;5.4,18.78,;6.17,20.11,;5.4,21.44,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnccn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.09,12.96,;3.86,11.62,;5.4,11.62,;3.09,10.29,;2.32,8.96,;.78,8.96,;.01,10.29,;-.89,11.54,;-2.36,11.06,;-2.36,9.52,;-3.6,8.61,;-.89,9.04,;-.42,7.58,;-1.45,6.43,;-2.99,6.43,;-2.99,4.89,;-1.45,4.89,;-3.54,12.05,;-3.26,13.57,;-4.44,14.56,;-5.89,14.04,;-6.16,12.52,;-4.98,11.53,;.78,11.62,;2.32,11.62,;3.86,8.96,;3.09,7.62,;3.86,6.29,;5.4,6.29,;6.17,7.62,;5.4,8.96,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.86,-2.64,;5.63,-3.98,;7.17,-3.98,;4.86,-5.31,;4.09,-6.64,;2.55,-6.64,;1.78,-5.31,;.87,-4.06,;-.59,-4.54,;-.59,-6.08,;-1.84,-6.98,;.87,-6.56,;1.35,-8.02,;.32,-9.16,;1.8,-9.56,;-1.22,-9.16,;-1.22,-10.7,;.32,-10.7,;-1.77,-3.55,;-3.22,-4.07,;-4.4,-3.07,;-4.12,-1.56,;-2.67,-1.04,;-1.5,-2.03,;-5.3,-.57,;-5.03,.95,;-6.2,1.94,;-7.65,1.42,;-7.93,-.09,;-6.75,-1.09,;2.55,-3.98,;4.09,-3.98,;5.63,-6.64,;4.86,-7.98,;5.63,-9.31,;7.17,-9.31,;7.94,-7.98,;7.17,-6.64,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.3,-18.99,;6.07,-20.32,;7.61,-20.32,;5.3,-21.66,;4.53,-22.99,;2.99,-22.99,;2.22,-21.66,;1.32,-20.41,;-.15,-20.89,;-.15,-22.43,;-1.39,-23.33,;1.32,-22.9,;1.79,-24.37,;.76,-25.51,;2.25,-25.91,;-.78,-25.51,;-.78,-27.05,;.76,-27.05,;-1.32,-19.89,;-2.77,-20.41,;-3.95,-19.42,;-3.68,-17.9,;-2.23,-17.38,;-1.05,-18.38,;-4.85,-16.91,;-4.58,-15.4,;-5.76,-14.4,;-7.21,-14.92,;-8.38,-13.93,;-7.48,-16.44,;-6.3,-17.43,;2.99,-20.32,;4.53,-20.32,;6.07,-22.99,;5.3,-24.32,;6.07,-25.66,;7.61,-25.66,;8.38,-24.32,;7.61,-22.99,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCOCC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.28,10.51,;5.05,9.18,;4.28,7.85,;3.51,6.51,;1.97,6.51,;1.2,7.85,;.3,9.09,;-1.17,8.62,;-1.17,7.08,;-2.41,6.17,;.3,6.6,;.77,5.14,;-.26,3.99,;1.23,3.59,;-1.8,3.99,;-1.8,2.45,;-.26,2.45,;-2.34,9.61,;-3.79,9.09,;-4.97,10.08,;-4.7,11.6,;-3.25,12.12,;-2.07,11.12,;-5.87,12.59,;-5.6,14.11,;-6.78,15.1,;-8.23,14.58,;-8.5,13.06,;-7.32,12.07,;1.97,9.18,;3.51,9.18,;5.05,6.51,;4.28,5.18,;5.05,3.84,;6.59,3.84,;7.36,5.18,;6.59,6.51,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.13,-7.04,;5.9,-8.37,;7.44,-8.37,;5.13,-9.7,;4.36,-11.04,;2.82,-11.04,;2.05,-9.7,;1.15,-8.46,;-.32,-8.93,;-.32,-10.47,;-1.57,-11.38,;1.15,-10.95,;1.62,-12.41,;.59,-13.56,;2.08,-13.96,;-.95,-13.56,;-.95,-15.1,;.59,-15.1,;-1.5,-7.94,;-2.94,-8.46,;-4.12,-7.47,;-3.85,-5.95,;-2.4,-5.43,;-1.22,-6.42,;-5.03,-4.96,;-4.75,-3.44,;-5.93,-2.45,;-7.38,-2.97,;-7.65,-4.49,;-6.47,-5.48,;2.82,-8.37,;4.36,-8.37,;5.9,-11.04,;5.13,-12.37,;5.9,-13.7,;7.44,-13.7,;8.21,-12.37,;7.44,-11.04,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.75,23.16,;5.52,21.83,;4.75,20.49,;3.98,19.16,;2.44,19.16,;1.67,20.49,;.76,21.74,;-.7,21.26,;-.7,19.72,;-1.95,18.82,;.76,19.25,;1.24,17.78,;.21,16.64,;1.7,16.24,;-1.33,16.64,;-1.33,15.1,;.21,15.1,;-1.88,22.26,;-3.33,21.73,;-4.5,22.73,;-4.23,24.24,;-2.78,24.76,;-1.61,23.77,;-5.41,25.24,;-5.14,26.75,;-6.31,27.74,;-7.76,27.22,;-8.94,28.22,;-8.03,25.71,;-6.86,24.71,;2.44,21.83,;3.98,21.83,;5.52,19.16,;4.75,17.82,;5.52,16.49,;7.06,16.49,;7.83,17.82,;7.06,19.16,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(5.47,7.44,;6.24,6.1,;5.47,4.77,;4.7,3.43,;3.16,3.43,;2.39,4.77,;1.48,6.01,;.02,5.54,;.02,4,;-1.23,3.09,;1.48,3.52,;1.96,2.06,;.93,.91,;2.42,.51,;-.61,.91,;-.61,-.63,;.93,-.63,;-1.16,6.53,;-2.61,6.01,;-3.78,7,;-3.51,8.52,;-2.06,9.04,;-.89,8.05,;-4.69,9.51,;-4.42,11.03,;-5.59,12.02,;-7.04,11.5,;-7.31,9.98,;-6.14,8.99,;3.16,6.1,;4.7,6.1,;6.24,3.43,;5.47,2.1,;6.24,.77,;7.78,.77,;8.55,2.1,;7.78,3.43,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.04,-5.47,;4.81,-6.8,;6.35,-6.8,;4.04,-8.13,;3.27,-9.47,;1.73,-9.47,;.96,-8.13,;.06,-6.89,;-1.41,-7.36,;-1.41,-8.9,;-2.65,-9.81,;.06,-9.38,;.53,-10.84,;-.5,-11.99,;-2.04,-11.99,;-2.04,-13.53,;-.5,-13.53,;-2.74,-6.59,;-4.07,-7.36,;-5.41,-6.59,;-5.41,-5.05,;-4.07,-4.28,;-2.74,-5.05,;-1.41,-4.28,;-6.74,-4.28,;-8.07,-3.51,;-5.97,-2.95,;-7.51,-5.62,;1.73,-6.8,;3.27,-6.8,;4.81,-9.47,;4.04,-10.8,;4.81,-12.14,;6.35,-12.14,;7.12,-10.8,;6.35,-9.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(nc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.05,23.45,;4.82,22.12,;6.36,22.12,;4.05,20.79,;3.28,19.45,;1.74,19.45,;.97,20.79,;.07,22.03,;-1.4,21.56,;-1.4,20.02,;-2.64,19.11,;.07,19.54,;.54,18.08,;-.49,16.93,;-1.95,16.46,;-.81,15.43,;-2.73,22.33,;-2.73,23.87,;-4.06,24.64,;-5.4,23.87,;-5.4,22.33,;-4.06,21.56,;-6.73,24.64,;-6.73,26.18,;-8.27,24.64,;-7.5,23.3,;1.74,22.12,;3.28,22.12,;4.82,19.45,;4.05,18.12,;4.82,16.79,;6.36,16.79,;7.13,18.12,;6.36,19.45,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.81,8.44,;4.58,7.1,;3.81,5.77,;3.04,4.44,;1.5,4.44,;.73,5.77,;-.17,7.02,;-1.64,6.54,;-1.64,5,;-2.88,4.09,;-.17,4.52,;.3,3.06,;-.73,1.91,;-2.19,1.44,;-1.05,.41,;-2.88,7.44,;-2.72,8.98,;-3.97,9.88,;-5.38,9.25,;-5.54,7.72,;-4.29,6.82,;-6.62,10.16,;-6.78,8.63,;-8.03,9.53,;-6.46,11.69,;1.5,7.1,;3.04,7.1,;4.58,4.44,;3.81,3.1,;4.58,1.77,;6.12,1.77,;6.89,3.1,;6.12,4.44,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(cc2F)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.05,-5.59,;4.82,-6.92,;6.36,-6.92,;4.05,-8.25,;3.28,-9.59,;1.74,-9.59,;.97,-8.25,;.07,-7.01,;-1.4,-7.48,;-1.4,-9.02,;-2.64,-9.93,;.07,-9.5,;.54,-10.96,;-.49,-12.11,;-1.95,-12.58,;-.81,-13.61,;-2.73,-6.71,;-4.06,-7.48,;-5.4,-6.71,;-5.4,-5.17,;-4.06,-4.4,;-2.73,-5.17,;-1.4,-4.4,;-6.73,-4.4,;-6.73,-2.86,;-8.27,-4.4,;-7.5,-5.74,;1.74,-6.92,;3.28,-6.92,;4.82,-9.59,;4.05,-10.92,;4.82,-12.25,;6.36,-12.25,;7.13,-10.92,;6.36,-9.59,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccccc2C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.94,-18.12,;3.71,-19.45,;5.25,-19.45,;2.94,-20.78,;2.17,-22.12,;.63,-22.12,;-.14,-20.78,;-1.04,-19.54,;-2.51,-20.01,;-2.51,-21.55,;-3.75,-22.46,;-1.04,-22.03,;-.57,-23.49,;-1.6,-24.64,;-.11,-25.04,;-3.14,-24.64,;-3.14,-26.18,;-1.6,-26.18,;-3.6,-18.92,;-3.2,-17.44,;-4.29,-16.35,;-5.77,-16.75,;-6.17,-18.23,;-5.08,-19.32,;-5.48,-20.81,;-6.97,-21.21,;-4.39,-21.9,;.63,-19.45,;2.17,-19.45,;3.71,-22.12,;2.94,-23.45,;3.71,-24.78,;5.25,-24.78,;6.02,-23.45,;5.25,-22.12,)|
COC1(CCN2C(=O)N(C[C@]22CC[C@@](CC2)(N(C)C)c2ccccc2)c2ccccc2C(N)=O)CCC1 |r,wU:10.10,13.17,(-1.91,14.77,;-2.31,16.26,;-1.22,17.35,;-1.62,18.84,;-.59,19.98,;-1.07,21.45,;-2.53,21.92,;-3.78,21.02,;-2.53,23.46,;-1.07,23.94,;-.16,22.69,;.61,21.36,;2.15,21.36,;2.92,22.69,;2.15,24.03,;.61,24.03,;3.69,24.03,;2.92,25.36,;5.23,24.03,;3.69,21.36,;2.92,20.02,;3.69,18.69,;5.23,18.69,;6,20.02,;5.23,21.36,;-3.62,24.55,;-5.11,24.15,;-6.2,25.24,;-5.8,26.73,;-4.31,27.13,;-3.22,26.04,;-1.73,26.44,;-1.34,27.92,;-.65,25.35,;-.45,16.02,;.88,16.79,;.11,18.12,)|
COC1(CCN2C(=O)N(C[C@]22CC[C@@](CC2)(N(C)C)c2ccccc2)c2cnc(C)nc2)CCC1 |r,wU:10.10,13.17,(-1.57,-.91,;-1.97,.58,;-.88,1.67,;-1.28,3.15,;-.25,4.3,;-.73,5.76,;-2.19,6.24,;-3.44,5.33,;-2.19,7.78,;-.73,8.26,;.18,7.01,;.95,5.68,;2.49,5.68,;3.26,7.01,;2.49,8.34,;.95,8.34,;4.03,8.34,;3.26,9.68,;5.57,8.34,;4.03,5.68,;3.26,4.34,;4.03,3.01,;5.57,3.01,;6.34,4.34,;5.57,5.68,;-3.28,8.87,;-2.88,10.36,;-3.97,11.44,;-5.46,11.05,;-6.55,12.14,;-5.86,9.56,;-4.77,8.47,;-.11,.33,;1.22,1.1,;.45,2.44,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.91,-7.58,;4.68,-8.92,;3.91,-10.25,;3.14,-11.58,;1.6,-11.58,;.83,-10.25,;-.08,-9,;-1.54,-9.48,;-1.54,-11.02,;-2.79,-11.92,;-.08,-11.49,;.4,-12.96,;-.63,-14.1,;.86,-14.5,;-2.17,-14.1,;-2.17,-15.64,;-.63,-15.64,;-2.63,-8.39,;-2.23,-6.9,;-3.32,-5.81,;-4.81,-6.21,;-5.21,-7.7,;-4.12,-8.79,;-5.9,-5.12,;-6.99,-4.03,;1.6,-8.92,;3.14,-8.92,;4.68,-11.58,;3.91,-12.92,;4.68,-14.25,;6.22,-14.25,;6.99,-12.92,;6.22,-11.58,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.03,-19.86,;3.8,-21.2,;3.03,-22.53,;2.26,-23.86,;.72,-23.86,;-.05,-22.53,;-.95,-21.28,;-2.42,-21.76,;-2.42,-23.3,;-3.66,-24.2,;-.95,-23.78,;-.48,-25.24,;-1.51,-26.38,;-2.28,-25.05,;-3.05,-26.38,;-3.05,-27.92,;-1.51,-27.92,;-3.66,-20.85,;-3.5,-19.32,;-4.75,-18.42,;-6.15,-19.04,;-6.31,-20.58,;-5.07,-21.48,;-5.23,-23.01,;-5.23,-24.55,;.72,-21.2,;2.26,-21.2,;3.8,-23.86,;3.03,-25.2,;3.8,-26.53,;5.34,-26.53,;6.11,-25.2,;5.34,-23.86,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(cc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.34,22.9,;5.11,21.56,;4.34,20.23,;3.57,18.9,;2.03,18.9,;1.26,20.23,;.36,21.48,;-1.11,21,;-1.11,19.46,;-2.35,18.55,;.36,18.98,;.83,17.52,;-.2,16.37,;-.97,17.71,;-1.74,16.37,;-1.74,14.83,;-.2,14.83,;-2.35,21.9,;-3.76,21.28,;-5,22.18,;-4.84,23.71,;-3.44,24.34,;-2.19,23.44,;-.78,24.06,;-.62,25.59,;-6.09,24.62,;-7.42,25.39,;2.03,21.56,;3.57,21.56,;5.11,18.9,;4.34,17.56,;5.11,16.23,;6.65,16.23,;7.42,17.56,;6.65,18.9,)|
CCN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccc(cc2OC)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.07,10.32,;4.3,8.99,;5.07,7.65,;4.3,6.32,;3.53,4.99,;1.99,4.99,;1.22,6.32,;.31,7.57,;-1.15,7.09,;-1.15,5.55,;-2.4,4.65,;.31,5.08,;.79,3.61,;-.24,2.47,;-1.01,3.8,;-1.78,2.47,;-1.78,.93,;-.24,.93,;-2.4,8,;-3.8,7.37,;-5.05,8.28,;-4.89,9.81,;-3.48,10.43,;-2.24,9.53,;-.83,10.15,;.26,9.07,;-6.13,10.71,;-7.38,11.62,;1.99,7.65,;3.53,7.65,;5.07,4.99,;4.3,3.65,;5.07,2.32,;6.61,2.32,;7.38,3.65,;6.61,4.99,)|
CCN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.8,-2.12,;3.03,-3.46,;3.8,-4.79,;3.03,-6.12,;2.26,-7.46,;.72,-7.46,;-.05,-6.12,;-.95,-4.88,;-2.42,-5.35,;-2.42,-6.89,;-3.66,-7.8,;-.95,-7.37,;-.48,-8.84,;-1.51,-9.98,;-2.28,-8.65,;-3.05,-9.98,;-3.05,-11.52,;-1.51,-11.52,;-3.66,-4.45,;-3.5,-2.92,;-4.75,-2.01,;-6.15,-2.64,;-6.31,-4.17,;-5.07,-5.08,;-5.23,-6.61,;-5.42,-8.14,;.72,-4.79,;2.26,-4.79,;3.8,-7.46,;3.03,-8.79,;3.8,-10.13,;5.34,-10.13,;6.11,-8.79,;5.34,-7.46,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(4.3,-17.53,;5.07,-18.87,;4.3,-20.2,;3.53,-21.53,;1.99,-21.53,;1.22,-20.2,;.31,-18.95,;-1.15,-19.43,;-1.15,-20.97,;-2.4,-21.87,;.31,-21.44,;.79,-22.91,;-.24,-24.05,;-1.01,-22.72,;-1.78,-24.05,;-1.78,-25.59,;-.24,-25.59,;-2.4,-18.52,;-3.8,-19.15,;-5.05,-18.24,;-4.89,-16.71,;-3.48,-16.09,;-2.24,-16.99,;-.83,-16.37,;-.43,-14.88,;-6.13,-15.81,;-7.38,-14.9,;1.99,-18.87,;3.53,-18.87,;5.07,-21.53,;4.3,-22.87,;5.07,-24.2,;6.61,-24.2,;7.38,-22.87,;6.61,-21.53,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2COC2)c2ccccc2C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.87,24.1,;3.64,22.77,;5.18,22.77,;2.87,21.43,;2.1,20.1,;.56,20.1,;-.21,21.43,;-1.11,22.68,;-2.58,22.2,;-2.58,20.66,;-3.82,19.76,;-1.11,20.19,;-.64,18.72,;-1.67,17.58,;-3.21,17.58,;-3.21,16.04,;-1.67,16.04,;-3.67,23.29,;-5.15,22.9,;-6.24,23.98,;-5.84,25.47,;-4.36,25.87,;-3.27,24.78,;-1.78,25.18,;-.69,24.09,;-1.38,26.67,;.56,22.77,;2.1,22.77,;3.64,20.1,;2.87,18.77,;3.64,17.43,;5.18,17.43,;5.95,18.77,;5.18,20.1,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(3.86,9.21,;4.63,7.87,;3.86,6.54,;3.09,5.21,;1.55,5.21,;.78,6.54,;-.12,7.79,;-1.59,7.31,;-1.59,5.77,;-2.83,4.87,;-.12,5.29,;-2.68,8.4,;-4.16,8,;-5.25,9.09,;-4.85,10.58,;-3.37,10.98,;-2.28,9.89,;-.79,10.29,;-.39,11.77,;-5.94,11.67,;-7.03,12.76,;1.55,7.87,;3.09,7.87,;4.63,5.21,;3.86,3.87,;4.63,2.54,;6.17,2.54,;6.94,3.87,;6.17,5.21,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCNC(=O)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,-20,;5.42,-21.33,;6.96,-21.33,;4.65,-22.67,;3.88,-24,;2.34,-24,;1.57,-22.67,;.67,-21.42,;-.8,-21.9,;-.8,-23.44,;-2.04,-24.34,;.67,-23.91,;-1.89,-20.81,;-1.49,-19.32,;-2.58,-18.23,;-4.07,-18.63,;-4.46,-20.12,;-3.38,-21.21,;-5.15,-17.54,;-6.64,-17.94,;-7.73,-16.85,;-7.33,-15.36,;-5.84,-14.96,;-5.45,-13.48,;-4.76,-16.05,;2.34,-21.33,;3.88,-21.33,;5.42,-24,;4.65,-25.33,;5.42,-26.67,;6.96,-26.67,;7.73,-25.33,;6.96,-24,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C2CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.97,22.46,;4.74,21.12,;6.28,21.12,;3.97,19.79,;3.2,18.46,;1.66,18.46,;.89,19.79,;-.01,21.04,;-1.48,20.56,;-1.48,19.02,;-2.72,18.11,;-.01,18.54,;-2.57,21.65,;-2.17,23.14,;-3.26,24.23,;-4.74,23.83,;-5.14,22.34,;-4.05,21.25,;-5.83,24.92,;-6.23,26.4,;-7.32,25.31,;1.66,21.12,;3.2,21.12,;4.74,18.46,;3.97,17.12,;4.74,15.79,;6.28,15.79,;7.05,17.12,;6.28,18.46,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.84,8.23,;4.61,6.89,;6.15,6.89,;3.84,5.56,;3.07,4.23,;1.53,4.23,;.76,5.56,;-.15,6.81,;-1.61,6.33,;-1.61,4.79,;-2.86,3.88,;-.15,4.31,;-2.7,7.42,;-4.19,7.02,;-5.28,8.11,;-4.88,9.6,;-3.39,10,;-2.3,8.91,;-.82,9.3,;-5.97,10.69,;-7.06,11.77,;-4.88,11.77,;-7.06,9.6,;1.53,6.89,;3.07,6.89,;4.61,4.23,;3.84,2.89,;4.61,1.56,;6.15,1.56,;6.92,2.89,;6.15,4.23,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.87,-4.14,;3.64,-5.47,;5.18,-5.47,;2.87,-6.8,;2.1,-8.14,;.56,-8.14,;-.21,-6.8,;-1.11,-5.56,;-2.58,-6.03,;-2.58,-7.57,;-3.82,-8.48,;-1.11,-8.05,;-3.67,-4.94,;-5.15,-5.34,;-6.24,-4.25,;-5.84,-2.77,;-4.36,-2.37,;-3.27,-3.46,;-1.78,-3.06,;-1.01,-4.39,;-.29,-2.66,;-2.18,-1.57,;.56,-5.47,;2.1,-5.47,;3.64,-8.14,;2.87,-9.47,;3.64,-10.8,;5.18,-10.8,;5.95,-9.47,;5.18,-8.14,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,-19.73,;5.42,-21.07,;6.96,-21.07,;4.65,-22.4,;3.88,-23.74,;2.34,-23.74,;1.57,-22.4,;.67,-21.16,;-.8,-21.63,;-.8,-23.17,;-2.04,-24.08,;.67,-23.65,;-1.89,-20.54,;-1.49,-19.06,;-2.58,-17.97,;-4.07,-18.37,;-4.46,-19.85,;-3.38,-20.94,;-5.15,-17.28,;-4.76,-15.79,;-5.84,-14.7,;-7.33,-15.1,;-7.73,-16.59,;-6.64,-17.68,;2.34,-21.07,;3.88,-21.07,;5.42,-23.74,;4.65,-25.07,;5.42,-26.4,;6.96,-26.4,;7.73,-25.07,;6.96,-23.74,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc(c2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.14,24.67,;6.91,23.34,;8.45,23.34,;6.14,22,;5.37,20.67,;3.83,20.67,;3.06,22,;2.15,23.25,;.69,22.77,;.69,21.23,;-.56,20.33,;2.15,20.76,;-.4,23.86,;-0,25.35,;-1.09,26.44,;-2.58,26.04,;-2.98,24.55,;-1.89,23.46,;-3.67,27.13,;-3.27,28.62,;-4.36,29.71,;-5.84,29.31,;-6.24,27.82,;-5.15,26.73,;-7.73,27.42,;-9.22,27.02,;3.83,23.34,;5.37,23.34,;6.91,20.67,;6.14,19.34,;6.91,18,;8.45,18,;9.22,19.34,;8.45,20.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(CC2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.63,7.08,;6.4,5.74,;7.94,5.74,;5.63,4.41,;4.86,3.07,;3.32,3.07,;2.55,4.41,;1.64,5.65,;.18,5.18,;.18,3.64,;-1.07,2.73,;1.64,3.16,;-.91,6.27,;-.51,7.75,;-1.6,8.84,;-3.09,8.44,;-3.49,6.96,;-2.4,5.87,;-4.18,9.53,;-3.78,11.02,;-4.87,12.11,;-6.35,11.71,;-6.75,10.22,;-5.66,9.13,;-7.44,12.8,;-8.93,12.4,;-8.21,14.13,;-6.11,13.57,;3.32,5.74,;4.86,5.74,;6.4,3.07,;5.63,1.74,;6.4,.41,;7.94,.41,;8.71,1.74,;7.94,3.07,)|
CN(CC1CC1)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:9.15,6.6,(2.2,-23.04,;2.97,-24.37,;4.51,-24.37,;5.28,-23.04,;6.61,-22.27,;5.28,-21.5,;2.2,-25.7,;1.43,-27.04,;-.11,-27.04,;-.88,-25.7,;-1.79,-24.46,;-3.25,-24.93,;-3.25,-26.47,;-4.5,-27.38,;-1.79,-26.95,;-4.34,-23.85,;-3.94,-22.36,;-5.03,-21.27,;-6.52,-21.67,;-6.92,-23.16,;-5.83,-24.24,;-7.61,-20.58,;-7.21,-19.09,;-9.1,-20.98,;-8.7,-19.49,;-.11,-24.37,;1.43,-24.37,;2.97,-27.04,;2.2,-28.37,;2.97,-29.71,;4.51,-29.71,;5.28,-28.37,;4.51,-27.04,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(=O)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.34,21.97,;7.11,20.63,;8.65,20.63,;6.34,19.3,;5.57,17.97,;4.03,17.97,;3.26,19.3,;2.35,20.55,;.89,20.07,;.89,18.53,;-.36,17.63,;2.35,18.05,;-.2,21.16,;.2,22.65,;-.89,23.74,;-2.38,23.34,;-2.78,21.85,;-1.69,20.76,;-3.47,24.43,;-3.07,25.91,;-4.96,24.03,;-6.04,25.12,;-7.53,24.72,;-7.93,23.23,;-9.42,22.83,;-6.84,22.14,;-5.35,22.54,;4.03,20.63,;5.57,20.63,;7.11,17.97,;6.34,16.63,;7.11,15.3,;8.65,15.3,;9.42,16.63,;8.65,17.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(CC2)C(C)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.74,-19.25,;6.51,-20.58,;8.05,-20.58,;5.74,-21.91,;4.97,-23.25,;3.43,-23.25,;2.66,-21.91,;1.75,-20.67,;.29,-21.14,;.29,-22.68,;-.96,-23.59,;1.75,-23.16,;-.8,-20.05,;-.4,-18.57,;-1.49,-17.48,;-2.98,-17.88,;-3.38,-19.36,;-2.29,-20.45,;-4.07,-16.79,;-3.67,-15.3,;-4.76,-14.21,;-6.24,-14.61,;-6.64,-16.1,;-5.55,-17.19,;-7.33,-13.52,;-8.82,-13.92,;-6.93,-12.03,;3.43,-20.58,;4.97,-20.58,;6.51,-23.25,;5.74,-24.58,;6.51,-25.91,;8.05,-25.91,;8.82,-24.58,;8.05,-23.25,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccncc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.6,8.33,;5.37,6.99,;6.91,6.99,;4.6,5.66,;3.83,4.32,;2.29,4.32,;1.52,5.66,;.62,6.9,;-.85,6.43,;-.85,4.89,;-2.09,3.98,;.62,4.41,;-1.94,7.52,;-1.54,9,;-2.63,10.09,;-4.12,9.7,;-4.51,8.21,;-3.43,7.12,;-5.2,10.78,;-4.81,12.27,;-5.89,13.36,;-7.38,12.96,;-7.78,11.47,;-6.69,10.39,;2.29,6.99,;3.83,6.99,;5.37,4.32,;4.6,2.99,;5.37,1.66,;6.91,1.66,;7.68,2.99,;6.91,4.32,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccnc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.7,-6.69,;5.47,-8.03,;7.01,-8.03,;4.7,-9.36,;3.93,-10.69,;2.39,-10.69,;1.62,-9.36,;.72,-8.11,;-.75,-8.59,;-.75,-10.13,;-1.99,-11.03,;.72,-10.61,;-1.84,-7.5,;-1.44,-6.01,;-2.53,-4.92,;-4.02,-5.32,;-4.41,-6.81,;-3.33,-7.9,;-5.1,-4.23,;-4.71,-2.75,;-5.8,-1.66,;-7.28,-2.06,;-7.68,-3.54,;-6.59,-4.63,;2.39,-8.03,;3.93,-8.03,;5.47,-10.69,;4.7,-12.03,;5.47,-13.36,;7.01,-13.36,;7.78,-12.03,;7.01,-10.69,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(=O)NCCO)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.17,24.16,;6.94,22.82,;8.48,22.82,;6.17,21.49,;5.4,20.16,;3.86,20.16,;3.09,21.49,;2.19,22.74,;.72,22.26,;.72,20.72,;-.52,19.82,;2.19,20.25,;-.36,23.35,;.03,24.84,;-1.06,25.93,;-2.54,25.53,;-2.94,24.04,;-1.85,22.95,;-3.63,26.62,;-3.23,28.1,;-5.12,26.22,;-6.21,27.31,;-7.7,26.91,;-8.78,28,;3.86,22.82,;5.4,22.82,;6.94,20.16,;6.17,18.82,;6.94,17.49,;8.48,17.49,;9.25,18.82,;8.48,20.16,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.25,10.34,;4.02,9.01,;5.56,9.01,;3.25,7.68,;2.48,6.34,;.94,6.34,;.17,7.68,;-.73,8.92,;-2.2,8.45,;-2.2,6.91,;-3.44,6,;-.73,6.43,;-3.29,9.53,;-2.89,11.02,;-3.98,12.11,;-5.46,11.71,;-5.86,10.23,;-4.77,9.14,;-6.55,12.8,;-8.04,12.4,;-6.16,14.29,;.94,9.01,;2.48,9.01,;4.02,6.34,;3.25,5.01,;4.02,3.67,;5.56,3.67,;6.33,5.01,;5.56,6.34,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C(F)(F)F)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.88,-5.79,;4.27,-7.27,;5.61,-8.04,;2.94,-8.04,;1.97,-9.24,;.45,-9,;-.1,-7.56,;-.8,-6.19,;-2.32,-6.43,;-2.56,-7.95,;-3.93,-8.65,;-1.19,-8.65,;-3.41,-5.34,;-4.9,-5.74,;-5.99,-4.65,;-5.59,-3.16,;-4.1,-2.77,;-3.01,-3.85,;-1.52,-3.46,;-.44,-4.54,;-1.13,-1.97,;-.04,-3.06,;-6.68,-2.08,;-6.28,-.59,;-7.37,.5,;-8.86,.1,;-9.25,-1.38,;-8.17,-2.47,;.87,-6.37,;2.39,-6.61,;4.03,-9.13,;3.63,-10.62,;4.72,-11.71,;6.21,-11.31,;6.61,-9.82,;5.52,-8.73,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccc(cc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.52,-21.44,;6.29,-22.77,;7.83,-22.77,;5.52,-24.1,;4.75,-25.44,;3.21,-25.44,;2.44,-24.1,;1.54,-22.86,;.07,-23.33,;.07,-24.87,;-1.17,-25.78,;1.54,-25.35,;-1.02,-22.24,;-.62,-20.76,;-1.71,-19.67,;-3.19,-20.07,;-3.59,-21.55,;-2.5,-22.64,;-4.28,-18.98,;-3.88,-17.49,;-4.97,-16.4,;-6.46,-16.8,;-6.86,-18.29,;-5.77,-19.38,;-7.55,-15.71,;-8.64,-14.62,;3.21,-22.77,;4.75,-22.77,;6.29,-25.44,;5.52,-26.77,;6.29,-28.1,;7.83,-28.1,;8.6,-26.77,;7.83,-25.44,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(=O)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.71,-2.51,;6.48,-3.84,;8.02,-3.84,;5.71,-5.18,;4.94,-6.51,;3.4,-6.51,;2.63,-5.18,;1.73,-3.93,;.26,-4.41,;.26,-5.95,;-.98,-6.85,;1.73,-6.42,;-.83,-3.32,;-.43,-1.83,;-1.52,-.74,;-3,-1.14,;-3.4,-2.63,;-2.31,-3.72,;-4.09,-.05,;-3.7,1.44,;-5.58,-.45,;-6.67,.64,;-8.16,.24,;-8.56,-1.25,;-7.47,-2.34,;-5.98,-1.94,;3.4,-3.84,;4.94,-3.84,;6.48,-6.51,;5.71,-7.84,;6.48,-9.18,;8.02,-9.18,;8.79,-7.84,;8.02,-6.51,)|
COC(=O)CN1CCN(CC1)c1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:19.37,22.27,(-10.11,-13.11,;-8.62,-12.71,;-7.53,-13.8,;-7.93,-15.29,;-6.04,-13.4,;-4.96,-14.49,;-3.47,-14.09,;-2.38,-15.18,;-2.78,-16.67,;-4.26,-17.07,;-5.35,-15.98,;-1.69,-17.76,;-.2,-17.36,;.89,-18.45,;.49,-19.93,;-1,-20.33,;-2.09,-19.24,;1.58,-21.02,;3.04,-20.55,;3.95,-21.79,;4.72,-23.13,;6.26,-23.13,;7.03,-21.79,;6.26,-20.46,;4.72,-20.46,;7.8,-20.46,;7.03,-19.12,;9.34,-20.46,;7.8,-23.13,;7.03,-24.46,;7.8,-25.79,;9.34,-25.79,;10.11,-24.46,;9.34,-23.13,;3.04,-23.04,;1.58,-22.56,;.33,-23.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2CS(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.12,21.87,;2.89,20.53,;4.43,20.53,;2.12,19.2,;1.35,17.87,;-.19,17.87,;-.96,19.2,;-1.87,20.45,;-3.33,19.97,;-3.33,18.43,;-4.58,17.52,;-1.87,17.95,;-4.42,21.06,;-5.75,20.29,;-7.09,21.06,;-7.09,22.6,;-5.75,23.37,;-4.42,22.6,;-3.09,23.37,;-2.69,24.86,;-1.35,25.63,;-4.23,24.86,;-3.46,26.19,;-.19,20.53,;1.35,20.53,;2.89,17.87,;2.12,16.53,;2.89,15.2,;4.43,15.2,;5.2,16.53,;4.43,17.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.71,8.02,;4.48,6.68,;6.02,6.68,;3.71,5.35,;2.94,4.02,;1.4,4.02,;.63,5.35,;-.28,6.6,;-1.74,6.12,;-1.74,4.58,;-2.99,3.67,;-.28,4.1,;-2.83,7.21,;-4.32,6.81,;-5.41,7.9,;-5.01,9.39,;-3.52,9.78,;-2.43,8.7,;-.94,9.09,;-6.1,10.48,;-5.7,11.96,;-6.79,13.05,;-8.28,12.65,;-8.67,11.17,;-7.59,10.08,;1.4,6.68,;2.94,6.68,;4.48,4.02,;3.71,2.68,;4.48,1.35,;6.02,1.35,;6.79,2.68,;6.02,4.02,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCS(=O)(=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.59,-8.15,;6.36,-9.49,;7.9,-9.49,;5.59,-10.82,;4.82,-12.16,;3.28,-12.16,;2.51,-10.82,;1.61,-9.58,;.14,-10.05,;.14,-11.59,;-1.1,-12.5,;1.61,-12.07,;-.94,-8.96,;-.55,-7.48,;-1.64,-6.39,;-3.12,-6.78,;-3.52,-8.27,;-2.43,-9.36,;-4.21,-5.7,;-3.81,-4.21,;-4.9,-3.12,;-6.39,-3.52,;-7.93,-3.52,;-5.99,-2.03,;-6.79,-5.01,;-5.7,-6.09,;3.28,-9.49,;4.82,-9.49,;6.36,-12.16,;5.59,-13.49,;6.36,-14.82,;7.9,-14.82,;8.67,-13.49,;7.9,-12.16,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccc2F)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.07,-19.52,;2.84,-20.86,;4.38,-20.86,;2.07,-22.19,;1.3,-23.52,;-.24,-23.52,;-1.01,-22.19,;-1.91,-20.94,;-3.38,-21.42,;-3.38,-22.96,;-4.62,-23.86,;-1.91,-23.43,;-4.46,-20.33,;-4.07,-18.84,;-5.15,-17.75,;-6.64,-18.15,;-7.04,-19.64,;-5.95,-20.73,;-6.35,-22.22,;-.24,-20.86,;1.3,-20.86,;2.84,-23.52,;2.07,-24.86,;2.84,-26.19,;4.38,-26.19,;5.15,-24.86,;4.38,-23.52,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(=O)N(C)CCO)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.08,21.91,;6.85,20.58,;8.39,20.58,;6.08,19.25,;5.31,17.91,;3.77,17.91,;3,19.25,;2.1,20.49,;.63,20.02,;.63,18.48,;-.61,17.57,;2.1,18,;-.46,21.11,;-.06,22.59,;-1.15,23.68,;-2.63,23.28,;-3.03,21.8,;-1.94,20.71,;-3.72,24.37,;-3.32,25.86,;-5.21,23.97,;-5.61,22.49,;-6.3,25.06,;-7.79,24.66,;-8.88,25.75,;3.77,20.58,;5.31,20.58,;6.85,17.91,;6.08,16.58,;6.85,15.25,;8.39,15.25,;9.16,16.58,;8.39,17.91,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C#N)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.7,4.53,;4.37,5.3,;4.37,6.84,;3.03,4.53,;2.06,3.33,;.54,3.57,;-.01,5.01,;-.71,6.38,;-2.23,6.14,;-2.47,4.62,;-3.84,3.92,;-1.1,3.92,;-3.32,7.23,;-4.81,6.83,;-5.9,7.92,;-5.5,9.41,;-4.01,9.81,;-2.92,8.72,;-1.43,9.12,;.05,9.52,;-6.59,10.5,;-6.19,11.99,;-7.28,13.08,;-8.76,12.68,;-9.16,11.19,;-8.07,10.1,;.96,6.21,;2.48,5.97,;3.91,3.27,;3.26,1.87,;4.14,.61,;5.68,.74,;6.33,2.14,;5.45,3.4,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.01,-6.36,;5.41,-7.84,;6.9,-8.24,;4.32,-8.93,;3.55,-10.27,;2.01,-10.27,;1.24,-8.93,;.34,-7.69,;-1.13,-8.16,;-1.13,-9.7,;-2.37,-10.61,;.34,-10.18,;-2.46,-7.39,;-2.46,-5.85,;-3.79,-5.08,;-5.13,-5.85,;-5.13,-7.39,;-3.79,-8.16,;-6.46,-5.08,;-7.8,-5.85,;-6.46,-3.54,;2.01,-7.6,;3.55,-7.6,;5.66,-9.7,;5.66,-11.24,;6.99,-12.01,;8.32,-11.24,;8.32,-9.7,;6.99,-8.93,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2F)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.6,-19.19,;3.37,-20.52,;4.91,-20.52,;2.6,-21.86,;1.83,-23.19,;.29,-23.19,;-.48,-21.86,;-1.39,-20.61,;-2.85,-21.09,;-2.85,-22.63,;-4.1,-23.53,;-1.39,-23.1,;-3.94,-20,;-5.43,-20.4,;-6.52,-19.31,;-6.12,-17.82,;-4.63,-17.42,;-3.54,-18.51,;-2.05,-18.11,;-7.21,-16.73,;-8.3,-17.82,;-8.3,-15.64,;-6.12,-15.64,;.29,-20.52,;1.83,-20.52,;3.37,-23.19,;2.6,-24.53,;3.37,-25.86,;4.91,-25.86,;5.68,-24.53,;4.91,-23.19,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2F)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.8,22.17,;3.57,20.84,;5.11,20.84,;2.8,19.51,;2.03,18.17,;.49,18.17,;-.28,19.51,;-1.19,20.75,;-2.65,20.28,;-2.65,18.74,;-3.9,17.83,;-1.19,18.26,;-3.74,21.36,;-5.23,20.97,;-6.32,22.05,;-5.92,23.54,;-4.43,23.94,;-3.34,22.85,;-1.85,23.25,;-7.01,24.63,;-8.1,25.72,;.49,20.84,;2.03,20.84,;3.57,18.17,;2.8,16.84,;3.57,15.5,;5.11,15.5,;5.88,16.84,;5.11,18.17,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2c(F)cc(cc2F)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(2.8,9.02,;3.57,7.69,;5.11,7.69,;2.8,6.35,;2.03,5.02,;.49,5.02,;-.28,6.35,;-1.19,7.6,;-2.65,7.12,;-2.65,5.58,;-3.9,4.68,;-1.19,5.11,;-3.74,8.21,;-3.34,9.7,;-1.85,10.1,;-4.43,10.79,;-5.92,10.39,;-6.32,8.9,;-5.23,7.81,;-5.63,6.33,;-7.01,11.48,;-8.1,12.57,;.49,7.69,;2.03,7.69,;3.57,5.02,;2.8,3.69,;3.57,2.35,;5.11,2.35,;5.88,3.69,;5.11,5.02,)|
COc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:10.27,13.17,(-8.4,-1.57,;-6.92,-1.17,;-5.83,-2.26,;-4.34,-1.86,;-3.25,-2.95,;-3.65,-4.44,;-5.14,-4.84,;-6.23,-3.75,;-2.56,-5.53,;-1.1,-5.05,;-.19,-6.3,;.58,-7.63,;2.12,-7.63,;2.89,-6.3,;2.12,-4.97,;.58,-4.97,;3.66,-4.97,;2.89,-3.63,;5.2,-4.97,;3.66,-7.63,;2.89,-8.97,;3.66,-10.3,;5.2,-10.3,;5.97,-8.97,;5.2,-7.63,;-1.1,-7.55,;-2.56,-7.07,;-3.81,-7.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NCc3ccccc3)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.94,-19.05,;6.71,-20.39,;8.25,-20.39,;5.94,-21.72,;5.17,-23.05,;3.63,-23.05,;2.86,-21.72,;1.95,-20.47,;.49,-20.95,;.49,-22.49,;-.76,-23.39,;1.95,-22.97,;-.6,-19.86,;-.2,-18.37,;-1.29,-17.28,;-2.78,-17.68,;-3.87,-16.59,;-5.35,-16.99,;-6.44,-15.9,;-6.04,-14.42,;-7.13,-13.33,;-8.62,-13.73,;-9.02,-15.21,;-7.93,-16.3,;-3.18,-19.17,;-2.09,-20.26,;3.63,-20.39,;5.17,-20.39,;6.71,-23.05,;5.94,-24.39,;6.71,-25.72,;8.25,-25.72,;9.02,-24.39,;8.25,-23.05,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccc(F)cc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5,24.17,;5.77,22.84,;7.31,22.84,;5,21.5,;4.23,20.17,;2.69,20.17,;1.92,21.5,;1.01,22.75,;-.45,22.27,;-.45,20.73,;-1.7,19.83,;1.01,20.26,;-1.54,23.36,;-1.14,24.85,;-2.23,25.94,;-3.72,25.54,;-4.12,24.05,;-3.03,22.96,;-4.81,26.63,;-4.41,28.12,;-5.5,29.21,;-6.99,28.81,;-8.08,29.9,;-7.39,27.32,;-6.3,26.23,;2.69,22.84,;4.23,22.84,;5.77,20.17,;5,18.84,;5.77,17.5,;7.31,17.5,;8.08,18.84,;7.31,20.17,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccccn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.58,-23.23,;5.35,-24.56,;6.89,-24.56,;4.58,-25.9,;3.81,-27.23,;2.27,-27.23,;1.5,-25.9,;.59,-24.65,;-.87,-25.13,;-.87,-26.67,;-2.12,-27.57,;.59,-27.14,;-1.96,-24.04,;-1.56,-22.55,;-2.65,-21.46,;-4.14,-21.86,;-4.54,-23.35,;-3.45,-24.44,;-5.23,-20.77,;-6.72,-21.17,;-7.8,-20.08,;-7.41,-18.59,;-5.92,-18.19,;-4.83,-19.28,;2.27,-24.56,;3.81,-24.56,;5.35,-27.23,;4.58,-28.56,;5.35,-29.9,;6.89,-29.9,;7.66,-28.56,;6.89,-27.23,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2c(F)cc(cc2F)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.82,22.23,;5.22,20.74,;6.7,20.34,;4.13,19.65,;3.36,18.32,;1.82,18.32,;1.05,19.65,;.14,20.9,;-1.32,20.42,;-1.32,18.88,;-2.57,17.98,;.14,18.41,;-2.66,21.19,;-2.66,22.73,;-1.32,23.5,;-3.99,23.5,;-5.32,22.73,;-5.32,21.19,;-3.99,20.42,;-3.99,18.88,;-6.66,23.5,;-7.99,22.73,;-6.66,25.04,;1.82,20.99,;3.36,20.99,;5.46,18.88,;5.46,17.34,;6.79,16.57,;8.13,17.34,;8.13,18.88,;6.79,19.65,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2F)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.82,10.09,;5.22,8.6,;6.7,8.2,;4.13,7.51,;3.36,6.18,;1.82,6.18,;1.05,7.51,;.14,8.76,;-1.32,8.28,;-1.32,6.74,;-2.57,5.84,;.14,6.27,;-2.66,9.05,;-3.99,8.28,;-5.32,9.05,;-5.32,10.59,;-3.99,11.36,;-2.66,10.59,;-1.32,11.36,;-6.66,11.36,;-7.99,10.59,;-6.66,12.9,;1.82,8.85,;3.36,8.85,;5.46,6.74,;5.46,5.2,;6.79,4.43,;8.13,5.2,;8.13,6.74,;6.79,7.51,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(F)(F)F)CC1)c1cccs1 |r,wU:6.11,3.2,(4.21,22.59,;4.98,21.26,;6.52,21.26,;4.21,19.93,;3.44,18.59,;1.9,18.59,;1.13,19.93,;.22,21.17,;-1.24,20.7,;-1.24,19.16,;-2.49,18.25,;.22,18.68,;-2.33,21.79,;-1.93,23.27,;-3.02,24.36,;-4.51,23.96,;-4.91,22.48,;-3.82,21.39,;-5.6,25.05,;-6.68,26.14,;-4.51,26.14,;-6.68,23.96,;1.9,21.26,;3.44,21.26,;4.98,18.59,;4.35,17.19,;5.5,16.16,;6.83,16.93,;6.51,18.43,)|
CN(C)[C@@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(F)(F)F)CC1)c1cccs1 |r,wU:3.2,wD:6.11,(4.21,9.94,;4.98,8.61,;6.52,8.61,;4.21,7.27,;3.44,8.61,;1.9,8.61,;1.13,7.27,;.22,8.52,;-1.24,8.04,;-1.24,6.5,;-2.49,5.6,;.22,6.03,;-2.33,9.13,;-1.93,10.62,;-3.02,11.71,;-4.51,11.31,;-4.91,9.82,;-3.82,8.73,;-5.6,12.4,;-6.68,13.49,;-4.51,13.49,;-6.68,11.31,;1.9,5.94,;3.44,5.94,;4.98,5.94,;4.35,4.53,;5.5,3.5,;6.83,4.27,;6.51,5.78,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2OCC(O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.32,-7.3,;3.98,-6.53,;3.98,-4.99,;2.65,-7.3,;1.56,-8.39,;.07,-7.99,;-.33,-6.51,;-.88,-5.07,;-2.42,-5.15,;-2.81,-6.64,;-4.25,-7.19,;-1.52,-7.48,;-3.66,-4.24,;-5.07,-4.87,;-6.31,-3.97,;-6.15,-2.43,;-4.75,-1.81,;-3.5,-2.71,;-2.09,-2.09,;-2.09,-.55,;-.76,.22,;.57,-.55,;-.76,1.76,;.76,-5.42,;2.25,-5.82,;3.74,-8.39,;3.34,-9.88,;4.43,-10.97,;5.92,-10.57,;6.31,-9.08,;5.23,-7.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCCCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(4.65,-19.47,;5.42,-20.81,;6.96,-20.81,;4.65,-22.14,;3.88,-23.47,;2.34,-23.47,;1.57,-22.14,;.67,-20.89,;-.8,-21.37,;-.8,-22.91,;-2.04,-23.82,;.67,-23.39,;-1.89,-20.28,;-1.49,-18.79,;-2.58,-17.71,;-4.07,-18.1,;-4.46,-19.59,;-3.38,-20.68,;-5.15,-17.02,;-4.76,-15.53,;-5.84,-14.44,;-7.33,-14.84,;-7.73,-16.32,;-6.64,-17.41,;2.34,-20.81,;3.88,-20.81,;5.42,-23.47,;4.65,-24.81,;5.42,-26.14,;6.96,-26.14,;7.73,-24.81,;6.96,-23.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.24,22.74,;4.01,21.41,;5.55,21.41,;3.24,20.07,;2.47,18.74,;.93,18.74,;.16,20.07,;-.74,21.32,;-2.21,20.84,;-2.21,19.3,;-3.45,18.4,;-.74,18.83,;-3.3,21.93,;-2.9,23.42,;-3.99,24.51,;-5.47,24.11,;-5.87,22.62,;-4.78,21.53,;-6.56,25.2,;-6.55,26.74,;-8.01,27.21,;-8.92,25.97,;-8.01,24.72,;.93,21.41,;2.47,21.41,;4.01,18.74,;3.24,17.41,;4.01,16.07,;5.55,16.07,;6.32,17.41,;5.55,18.74,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cncnc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.45,7.72,;4.22,6.39,;5.76,6.39,;3.45,5.05,;2.68,3.72,;1.14,3.72,;.37,5.05,;-.53,6.3,;-2,5.82,;-2,4.28,;-3.24,3.38,;-.53,3.81,;-3.09,6.91,;-2.69,8.4,;-3.78,9.49,;-5.26,9.09,;-5.66,7.6,;-4.57,6.52,;-6.35,10.18,;-5.95,11.67,;-7.04,12.76,;-8.53,12.36,;-8.93,10.87,;-7.84,9.78,;1.14,6.39,;2.68,6.39,;4.22,3.72,;3.45,2.39,;4.22,1.05,;5.76,1.05,;6.53,2.39,;5.76,3.72,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(=O)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.85,-5.8,;6.62,-7.14,;8.16,-7.14,;5.85,-8.47,;5.08,-9.8,;3.54,-9.8,;2.77,-8.47,;1.86,-7.22,;.4,-7.7,;.4,-9.24,;-.85,-10.15,;1.86,-9.72,;-.69,-6.61,;-.29,-5.12,;-1.38,-4.03,;-2.87,-4.43,;-3.27,-5.92,;-2.18,-7.01,;-3.96,-3.34,;-3.56,-1.86,;-5.44,-3.74,;-6.53,-2.65,;-8.02,-3.05,;-8.42,-4.54,;-7.33,-5.63,;-5.84,-5.23,;3.54,-7.14,;5.08,-7.14,;6.62,-9.8,;5.85,-11.14,;6.62,-12.47,;8.16,-12.47,;8.93,-11.14,;8.16,-9.8,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2c(C)noc2C)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.41,7.36,;4.18,6.03,;5.72,6.03,;3.41,4.69,;2.64,3.36,;1.1,3.36,;.33,4.69,;-.57,5.94,;-2.04,5.46,;-2.04,3.92,;-3.28,3.02,;-.57,3.45,;-3.12,6.55,;-2.73,8.04,;-3.81,9.13,;-5.3,8.73,;-5.7,7.24,;-4.61,6.15,;-6.39,9.82,;-6.15,11.34,;-4.78,12.04,;-7.52,12.04,;-8.61,10.95,;-7.91,9.58,;-8.61,8.2,;1.1,6.03,;2.64,6.03,;4.18,3.36,;3.41,2.02,;4.18,.69,;5.72,.69,;6.49,2.02,;5.72,3.36,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccc3ncsc3c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.74,-8.12,;6.51,-9.45,;8.05,-9.45,;5.74,-10.79,;4.97,-12.12,;3.43,-12.12,;2.66,-10.79,;1.75,-9.54,;.29,-10.02,;.29,-11.56,;-.96,-12.46,;1.75,-12.03,;-.8,-8.93,;-.4,-7.44,;-1.49,-6.35,;-2.98,-6.75,;-3.38,-8.24,;-2.29,-9.32,;-4.07,-5.66,;-3.67,-4.17,;-4.76,-3.08,;-6.24,-3.48,;-7.54,-2.64,;-8.73,-3.61,;-8.18,-5.05,;-6.64,-4.97,;-5.55,-6.06,;3.43,-9.45,;4.97,-9.45,;6.51,-12.12,;5.74,-13.45,;6.51,-14.79,;8.05,-14.79,;8.82,-13.45,;8.05,-12.12,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2F)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.01,-22.35,;3.78,-23.68,;5.32,-23.68,;3.01,-25.02,;2.24,-26.35,;.7,-26.35,;-.07,-25.02,;-.97,-23.77,;-2.44,-24.25,;-2.44,-25.79,;-3.68,-26.69,;-.97,-26.26,;-3.52,-23.16,;-3.13,-21.67,;-4.21,-20.58,;-5.7,-20.98,;-6.1,-22.47,;-5.01,-23.55,;-5.41,-25.04,;-6.79,-19.89,;-6.39,-18.4,;-8.28,-20.29,;-8.13,-19.12,;.7,-23.68,;2.24,-23.68,;3.78,-26.35,;3.01,-27.68,;3.78,-29.02,;5.32,-29.02,;6.09,-27.68,;5.32,-26.35,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.42,22.15,;4.19,20.82,;5.73,20.82,;3.42,19.49,;2.65,18.15,;1.11,18.15,;.34,19.49,;-.56,20.73,;-2.03,20.26,;-2.03,18.72,;-3.27,17.81,;-.56,18.24,;-3.11,21.35,;-2.72,22.83,;-3.81,23.92,;-5.29,23.52,;-5.69,22.04,;-4.6,20.95,;-6.38,24.61,;-5.98,26.1,;-7.07,27.19,;-8.56,26.79,;-8.96,25.3,;-7.87,24.21,;1.11,20.82,;2.65,20.82,;4.19,18.15,;3.42,16.82,;4.19,15.49,;5.73,15.49,;6.5,16.82,;5.73,18.15,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2csc(n2)-c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3,7.43,;3.77,6.09,;5.31,6.09,;3,4.76,;2.23,3.43,;.69,3.43,;-.08,4.76,;-.99,6.01,;-2.45,5.53,;-2.45,3.99,;-3.7,3.08,;-.99,3.51,;-3.78,6.3,;-5.19,5.67,;-6.22,6.82,;-5.45,8.15,;-3.95,7.83,;-6.22,9.48,;-5.45,10.82,;-6.22,12.15,;-7.76,12.15,;-8.53,10.82,;-7.76,9.48,;.69,6.09,;2.23,6.09,;3.77,3.43,;3,2.09,;3.77,.76,;5.31,.76,;6.08,2.09,;5.31,3.43,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NC3CCOCC3)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.88,-5.79,;6.65,-7.13,;8.19,-7.13,;5.88,-8.46,;5.11,-9.79,;3.57,-9.79,;2.8,-8.46,;1.89,-7.21,;.43,-7.69,;.43,-9.23,;-.82,-10.14,;1.89,-9.71,;-.82,-6.79,;-.66,-5.25,;-1.91,-4.35,;-3.31,-4.98,;-4.56,-4.07,;-5.96,-4.7,;-7.21,-3.79,;-8.62,-4.42,;-8.78,-5.95,;-7.53,-6.85,;-6.13,-6.23,;-3.47,-6.51,;-2.23,-7.41,;3.57,-7.13,;5.11,-7.13,;6.65,-9.79,;5.88,-11.13,;6.65,-12.46,;8.19,-12.46,;8.96,-11.13,;8.19,-9.79,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCC(O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.88,-20.52,;6.65,-21.85,;8.19,-21.85,;5.88,-23.19,;5.11,-24.52,;3.57,-24.52,;2.8,-23.19,;1.89,-21.94,;.43,-22.42,;.43,-23.96,;-.82,-24.86,;1.89,-24.43,;-.82,-21.51,;-.66,-19.98,;-1.9,-19.08,;-3.31,-19.7,;-3.47,-21.23,;-2.22,-22.14,;-4.56,-18.8,;-4.39,-17.27,;-5.64,-16.36,;-7.05,-16.99,;-8.29,-16.08,;-7.21,-18.52,;-5.96,-19.42,;3.57,-21.85,;5.11,-21.85,;6.65,-24.52,;5.88,-25.86,;6.65,-27.19,;8.19,-27.19,;8.96,-25.86,;8.19,-24.52,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2nc(cs2)-c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.48,22.31,;4.25,20.98,;5.79,20.98,;3.48,19.64,;2.71,18.31,;1.17,18.31,;.4,19.64,;-.51,20.89,;-1.97,20.41,;-1.97,18.87,;-3.22,17.97,;-.51,18.4,;-3.22,21.32,;-3.62,22.8,;-5.16,22.89,;-5.71,21.45,;-4.51,20.48,;-5.99,24.18,;-5.3,25.55,;-6.13,26.84,;-7.67,26.76,;-8.37,25.39,;-7.53,24.1,;1.17,20.98,;2.71,20.98,;4.25,18.31,;3.48,16.97,;4.25,15.64,;5.79,15.64,;6.56,16.97,;5.79,18.31,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-n2ccc3cccnc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.96,6.88,;4.73,5.54,;6.27,5.54,;3.96,4.21,;3.19,2.87,;1.65,2.87,;.88,4.21,;-.03,5.45,;-1.49,4.98,;-1.49,3.44,;-2.74,2.53,;-.03,2.96,;-2.74,5.88,;-2.58,7.42,;-3.83,8.32,;-5.23,7.69,;-5.39,6.16,;-4.15,5.26,;-6.48,8.6,;-7.94,8.12,;-8.85,9.37,;-7.94,10.62,;-8.26,12.12,;-7.12,13.15,;-5.65,12.68,;-5.33,11.17,;-6.48,10.14,;1.65,5.54,;3.19,5.54,;4.73,2.87,;3.96,1.54,;4.73,.21,;6.27,.21,;7.04,1.54,;6.27,2.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cc(F)c(F)c(F)c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.77,-9.43,;6.54,-10.77,;8.08,-10.77,;5.77,-12.1,;5,-13.43,;3.46,-13.43,;2.69,-12.1,;1.78,-10.85,;.32,-11.33,;.32,-12.87,;-.93,-13.78,;1.78,-13.35,;-.77,-10.24,;-.37,-8.75,;-1.46,-7.66,;-2.95,-8.06,;-3.35,-9.55,;-2.26,-10.64,;-4.04,-6.97,;-3.64,-5.49,;-4.73,-4.4,;-4.33,-2.91,;-6.22,-4.8,;-7.3,-3.71,;-6.61,-6.28,;-8.1,-6.68,;-5.52,-7.37,;3.46,-10.77,;5,-10.77,;6.54,-13.43,;5.77,-14.77,;6.54,-16.1,;8.08,-16.1,;8.85,-14.77,;8.08,-13.43,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2C)CC1)c1ccccc1 |r,wD:6.11,3.2,(2.11,-26.84,;2.88,-25.51,;4.42,-25.51,;2.11,-24.17,;1.34,-22.84,;-.2,-22.84,;-.97,-24.17,;-1.87,-22.93,;-3.34,-23.4,;-3.34,-24.94,;-4.58,-25.85,;-1.87,-25.42,;-4.42,-22.31,;-4.03,-20.83,;-5.12,-19.74,;-6.6,-20.14,;-7,-21.62,;-5.91,-22.71,;-6.31,-24.2,;-.2,-25.51,;1.34,-25.51,;2.88,-22.84,;4.42,-22.84,;5.19,-21.52,;4.42,-20.2,;2.9,-20.2,;2.11,-21.51,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc(C)c2)CC1)c1ccccc1 |r,wD:6.11,3.2,(2.95,21.88,;3.72,23.22,;5.26,23.22,;2.95,24.55,;2.18,25.88,;.64,25.88,;-.13,24.55,;-1.04,25.8,;-2.5,25.32,;-2.5,23.78,;-3.75,22.88,;-1.04,23.3,;-3.59,26.41,;-5.08,26.01,;-6.17,27.1,;-5.77,28.59,;-4.28,28.99,;-3.88,30.47,;-3.19,27.9,;.64,23.22,;2.18,23.22,;3.72,25.88,;5.26,25.88,;6.02,27.2,;5.26,28.52,;3.74,28.52,;2.95,27.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(C)cc2)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.29,10.6,;4.06,11.93,;5.6,11.93,;3.29,13.27,;2.52,14.6,;.98,14.6,;.21,13.27,;-.7,14.51,;-2.16,14.04,;-2.16,12.5,;-3.41,11.59,;-.7,12.02,;-3.25,15.13,;-2.85,16.61,;-3.94,17.7,;-5.43,17.3,;-6.52,18.39,;-5.83,15.82,;-4.74,14.73,;.98,11.93,;2.52,11.93,;4.06,14.6,;5.6,14.6,;6.36,15.92,;5.6,17.24,;4.08,17.24,;3.29,15.93,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r,wD:6.11,3.2,(4.11,-3.13,;4.88,-1.8,;6.42,-1.8,;4.11,-.47,;3.34,.87,;1.8,.87,;1.03,-.47,;.13,.78,;-1.34,.3,;-1.34,-1.24,;-2.58,-2.14,;.13,-1.71,;-2.43,1.39,;-2.03,2.88,;-3.12,3.97,;-4.61,3.57,;-5,2.08,;-3.92,.99,;-5.69,4.66,;-5.3,6.15,;-7.18,4.26,;-6.78,5.75,;1.8,-1.8,;3.34,-1.8,;4.88,.87,;6.42,.87,;7.18,2.19,;6.42,3.51,;4.9,3.51,;4.11,2.2,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1 |r,wD:6.11,3.2,(2.95,-16.7,;3.72,-15.37,;5.26,-15.37,;2.95,-14.03,;2.18,-12.7,;.64,-12.7,;-.13,-14.03,;-1.04,-12.79,;-2.5,-13.26,;-2.5,-14.8,;-3.75,-15.71,;-1.04,-15.28,;-3.59,-12.17,;-5.08,-12.57,;-6.17,-11.48,;-5.77,-10,;-4.28,-9.6,;-3.88,-8.11,;-2.39,-7.71,;-1.31,-8.8,;-2,-6.22,;-.91,-7.31,;-3.19,-10.69,;.64,-15.37,;2.18,-15.37,;3.72,-12.7,;5.26,-12.7,;6.02,-11.38,;5.26,-10.06,;3.74,-10.06,;2.95,-11.37,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.71,-30.47,;4.48,-29.14,;6.02,-29.14,;3.71,-27.81,;2.94,-26.47,;1.4,-26.47,;.63,-27.81,;-.27,-26.56,;-1.74,-27.04,;-1.74,-28.58,;-2.98,-29.48,;-.27,-29.05,;-2.83,-25.95,;-2.43,-24.46,;-3.52,-23.37,;-5,-23.77,;-6.09,-22.68,;-5.69,-21.19,;-6.78,-20.1,;-4.21,-20.79,;-5.3,-19.71,;-5.4,-25.26,;-4.31,-26.35,;1.4,-29.14,;2.94,-29.14,;4.48,-26.47,;6.02,-26.47,;6.78,-25.15,;6.02,-23.83,;4.5,-23.83,;3.71,-25.14,)|
COC(=O)c1ccccc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:12.29,15.19,(-6.8,21.45,;-6.4,22.94,;-4.91,23.34,;-3.83,22.25,;-4.52,24.83,;-5.61,25.92,;-5.21,27.4,;-3.72,27.8,;-2.63,26.71,;-3.03,25.23,;-1.94,24.14,;-.47,24.61,;.43,23.37,;1.2,24.7,;2.74,24.7,;3.51,23.37,;2.74,22.03,;1.2,22.03,;4.28,22.03,;3.51,20.7,;5.82,22.03,;4.28,24.7,;5.82,24.7,;6.58,26.02,;5.82,27.34,;4.3,27.34,;3.51,26.04,;-.47,22.12,;-1.94,22.6,;-3.19,21.69,)|
COC(=O)c1cccc(c1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:12.29,15.19,(-.83,4.95,;-1.23,3.46,;-2.72,3.07,;-3.81,4.15,;-3.12,1.58,;-4.61,1.18,;-5,-.31,;-3.92,-1.4,;-2.43,-1,;-2.03,.49,;-1.34,-2.09,;.13,-1.61,;1.03,-2.86,;1.8,-1.52,;3.34,-1.52,;4.11,-2.86,;3.34,-4.19,;1.8,-4.19,;4.88,-4.19,;4.11,-5.52,;6.42,-4.19,;4.88,-1.52,;6.42,-1.52,;7.18,-.2,;6.42,1.11,;4.9,1.11,;4.11,-.19,;.13,-4.1,;-1.34,-3.63,;-2.58,-4.53,)|
COC(=O)c1ccc(cc1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:12.29,15.19,(-6.39,4.84,;-5.3,3.76,;-5.69,2.27,;-7.18,1.87,;-4.61,1.18,;-3.12,1.58,;-2.03,.49,;-2.43,-1,;-3.92,-1.4,;-5,-.31,;-1.34,-2.09,;.13,-1.61,;1.03,-2.86,;1.8,-1.52,;3.34,-1.52,;4.11,-2.86,;3.34,-4.19,;1.8,-4.19,;4.88,-4.19,;4.11,-5.52,;6.42,-4.19,;4.88,-1.52,;6.42,-1.52,;7.18,-.2,;6.42,1.11,;4.9,1.11,;4.11,-.19,;.13,-4.1,;-1.34,-3.63,;-2.58,-4.53,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3OCOc3c2)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.24,-17.31,;4.01,-15.97,;5.55,-15.97,;3.24,-14.64,;2.47,-13.31,;.93,-13.31,;.16,-14.64,;-.74,-13.39,;-2.21,-13.87,;-2.21,-15.41,;-3.45,-16.32,;-.74,-15.89,;-3.3,-12.78,;-4.78,-13.18,;-5.87,-12.09,;-5.47,-10.6,;-6.31,-9.31,;-5.34,-8.11,;-3.91,-8.67,;-3.99,-10.2,;-2.9,-11.29,;.93,-15.97,;2.47,-15.97,;4.01,-13.31,;5.55,-13.31,;6.31,-11.99,;5.55,-10.67,;4.03,-10.67,;3.24,-11.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3ncccc23)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.86,-27.8,;4.63,-26.47,;6.17,-26.47,;3.86,-25.14,;3.09,-23.8,;1.55,-23.8,;.78,-25.14,;-.13,-23.89,;-1.59,-24.37,;-1.59,-25.91,;-2.84,-26.81,;-.13,-26.38,;-2.68,-23.28,;-2.28,-21.79,;-3.37,-20.7,;-4.86,-21.1,;-5.26,-22.59,;-6.75,-22.99,;-7.14,-24.47,;-6.06,-25.56,;-4.57,-25.16,;-4.17,-23.68,;1.55,-26.47,;3.09,-26.47,;4.63,-23.8,;6.17,-23.8,;6.93,-22.48,;6.17,-21.16,;4.64,-21.16,;3.86,-22.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3CCNc3c2)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.25,19.8,;4.02,21.13,;5.56,21.13,;3.25,22.47,;2.48,23.8,;.94,23.8,;.17,22.47,;-.74,23.71,;-2.2,23.24,;-2.2,21.7,;-3.45,20.79,;-.74,21.22,;-3.29,24.32,;-4.78,23.93,;-5.87,25.01,;-5.47,26.5,;-6.31,27.79,;-5.34,28.99,;-3.9,28.44,;-3.98,26.9,;-2.89,25.81,;.94,21.13,;2.48,21.13,;4.02,23.8,;5.56,23.8,;6.32,25.12,;5.56,26.44,;4.03,26.44,;3.25,25.13,)|
COC(=O)c1cc(C)c(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:13.30,16.20,(-7.73,14.55,;-6.64,13.46,;-5.15,13.86,;-4.75,15.35,;-4.06,12.77,;-4.46,11.28,;-3.37,10.19,;-3.77,8.71,;-1.88,10.59,;-1.48,12.08,;-2.57,13.17,;-.79,9.5,;.67,9.98,;1.58,8.73,;2.35,10.07,;3.89,10.07,;4.66,8.73,;3.89,7.4,;2.35,7.4,;5.43,7.4,;4.66,6.07,;6.97,7.4,;5.43,10.07,;6.97,10.07,;7.73,11.39,;6.97,12.71,;5.44,12.71,;4.66,11.4,;.67,7.49,;-.79,7.96,;-2.04,7.06,)|
COc1cc(C)c(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:11.28,14.18,(-7.19,1.68,;-5.7,2.08,;-4.61,.99,;-5.01,-.5,;-3.92,-1.59,;-4.32,-3.08,;-2.43,-1.19,;-2.03,.3,;-3.12,1.39,;-1.34,-2.28,;.12,-1.8,;1.03,-3.05,;1.8,-1.72,;3.34,-1.72,;4.11,-3.05,;3.34,-4.38,;1.8,-4.38,;4.88,-4.38,;4.11,-5.72,;6.42,-4.38,;4.88,-1.72,;6.42,-1.72,;7.18,-.4,;6.42,.92,;4.89,.92,;4.11,-.38,;.12,-4.3,;-1.34,-3.82,;-2.59,-4.72,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cc(nn2C)C(F)(F)F)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.24,-18.08,;4.01,-16.75,;5.55,-16.75,;3.24,-15.41,;2.47,-14.08,;.93,-14.08,;.16,-15.41,;-.74,-14.17,;-2.21,-14.64,;-2.21,-16.18,;-3.45,-17.09,;-.74,-16.66,;-3.3,-13.55,;-3.06,-12.03,;-4.43,-11.33,;-5.52,-12.42,;-4.82,-13.79,;-5.52,-15.17,;-4.67,-9.81,;-4.67,-8.27,;-3.58,-8.72,;-6.16,-9.41,;.93,-16.75,;2.47,-16.75,;4.01,-14.08,;5.55,-14.08,;6.31,-12.76,;5.55,-11.44,;4.03,-11.44,;3.24,-12.74,)|
COc1cccnc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:10.27,13.17,(-6.5,-26.75,;-5.01,-26.35,;-4.61,-24.86,;-5.7,-23.77,;-5.3,-22.29,;-3.81,-21.89,;-2.73,-22.98,;-3.12,-24.46,;-2.03,-25.55,;-.57,-25.08,;.34,-26.32,;1.11,-24.99,;2.65,-24.99,;3.42,-26.32,;2.65,-27.66,;1.11,-27.66,;4.19,-27.66,;3.42,-28.99,;5.73,-27.66,;4.19,-24.99,;5.73,-24.99,;6.49,-23.67,;5.73,-22.35,;4.2,-22.35,;3.42,-23.66,;-.57,-27.57,;-2.03,-27.09,;-3.28,-28,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)C(F)(F)F)CC1)c1ccccc1 |r,wD:6.11,3.2,(4.11,19.28,;4.88,20.61,;6.42,20.61,;4.11,21.94,;3.34,23.28,;1.8,23.28,;1.03,21.94,;.13,23.19,;-1.34,22.71,;-1.34,21.17,;-2.58,20.27,;.13,20.7,;-2.43,23.8,;-3.92,23.4,;-5,24.49,;-4.61,25.98,;-3.12,26.38,;-2.03,25.29,;-5.69,27.07,;-7.18,26.67,;-5.3,28.56,;-6.78,28.16,;1.8,20.61,;3.34,20.61,;4.88,23.28,;6.42,23.28,;7.18,24.6,;6.42,25.91,;4.9,25.91,;4.11,24.61,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cncc(c2)C#N)CC1)c1ccccc1 |r,wD:6.11,3.2,(3.05,6.04,;3.82,7.38,;5.36,7.38,;3.05,8.71,;2.28,10.05,;.74,10.05,;-.03,8.71,;-.94,9.96,;-2.4,9.48,;-2.4,7.94,;-3.65,7.04,;-.94,7.47,;-3.49,10.57,;-4.98,10.17,;-6.07,11.26,;-5.67,12.75,;-4.18,13.15,;-3.09,12.06,;-3.78,14.63,;-4.87,15.72,;.74,7.38,;2.28,7.38,;3.82,10.05,;5.36,10.05,;6.12,11.36,;5.36,12.68,;3.83,12.68,;3.05,11.38,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncccc2C)CC1)c1ccccc1 |r,wD:6.11,3.2,(2.95,-3.58,;3.72,-2.25,;5.26,-2.25,;2.95,-.91,;2.18,.42,;.64,.42,;-.13,-.91,;-1.04,.33,;-2.5,-.14,;-2.5,-1.68,;-3.75,-2.59,;-1.04,-2.16,;-3.59,.95,;-3.19,2.43,;-4.28,3.52,;-5.77,3.12,;-6.17,1.64,;-5.08,.55,;-5.48,-.94,;.64,-2.25,;2.18,-2.25,;3.72,.42,;5.26,.42,;6.02,1.74,;5.26,3.06,;3.74,3.06,;2.95,1.75,)|
COc1ccc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wD:10.27,13.17,(-6.01,-6.12,;-6.4,-7.61,;-5.32,-8.7,;-3.83,-8.3,;-2.74,-9.39,;-3.14,-10.88,;-4.63,-11.28,;-5.71,-10.19,;-2.05,-11.97,;-.58,-11.49,;.32,-12.74,;1.09,-11.4,;2.63,-11.4,;3.4,-12.74,;2.63,-14.07,;1.09,-14.07,;4.17,-14.07,;3.4,-15.4,;5.71,-14.07,;4.17,-11.4,;5.71,-11.4,;6.47,-10.08,;5.71,-8.77,;4.19,-8.77,;3.4,-10.07,;-.58,-13.98,;-2.05,-13.51,;-3.29,-14.41,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc(c2)C(F)(F)F)CC1)c1ccccc1 |r,wD:6.11,3.2,(2.95,-28.56,;3.72,-27.22,;5.26,-27.22,;2.95,-25.89,;2.18,-24.55,;.64,-24.55,;-.13,-25.89,;-1.04,-24.64,;-2.5,-25.12,;-2.5,-26.66,;-3.75,-27.56,;-1.04,-27.13,;-3.59,-24.03,;-5.08,-24.43,;-6.17,-23.34,;-5.77,-21.85,;-4.28,-21.45,;-3.19,-22.54,;-3.88,-19.97,;-4.97,-18.88,;-2.39,-19.57,;-3.48,-18.48,;.64,-27.22,;2.18,-27.22,;3.72,-24.55,;5.26,-24.55,;6.02,-23.24,;5.26,-21.92,;3.74,-21.92,;2.95,-23.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(3.8,8.92,;4.57,7.58,;6.11,7.58,;3.8,6.25,;3.03,4.92,;1.49,4.92,;.72,6.25,;-.19,7.5,;-1.65,7.02,;-1.65,5.48,;-2.9,4.58,;-.19,5,;-2.74,8.11,;-2.34,9.6,;-3.43,10.69,;-4.92,10.29,;-5.32,8.8,;-4.23,7.71,;-6.01,11.38,;-7.5,10.98,;-8.59,12.07,;-8.19,13.55,;-6.7,13.95,;-6,15.32,;-4.48,15.08,;-3.39,16.17,;-4.24,13.56,;-5.61,12.86,;1.49,7.58,;3.03,7.58,;4.57,4.92,;3.8,3.58,;4.57,2.25,;6.11,2.25,;6.88,3.58,;6.11,4.92,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(CCO)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.28,9.45,;7.05,8.12,;8.59,8.12,;6.28,6.78,;5.51,5.45,;3.97,5.45,;3.2,6.78,;2.3,8.03,;.83,7.55,;.83,6.01,;-.41,5.11,;2.3,5.54,;-.25,8.64,;.14,10.13,;-.94,11.22,;-2.43,10.82,;-2.83,9.33,;-1.74,8.24,;-3.52,11.91,;-3.12,13.4,;-4.21,14.48,;-5.7,14.09,;-6.79,15.17,;-8.28,14.78,;-9.36,15.86,;-6.1,12.6,;-5.01,11.51,;3.97,8.12,;5.51,8.12,;7.05,5.45,;6.28,4.11,;7.05,2.78,;8.59,2.78,;9.36,4.11,;8.59,5.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(CC(O)=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(6.28,-7.68,;7.05,-9.01,;8.59,-9.01,;6.28,-10.34,;5.51,-11.68,;3.97,-11.68,;3.2,-10.34,;2.3,-9.1,;.83,-9.57,;.83,-11.11,;-.41,-12.02,;2.3,-11.59,;-.25,-8.48,;.14,-7,;-.94,-5.91,;-2.43,-6.31,;-2.83,-7.79,;-1.74,-8.88,;-3.52,-5.22,;-3.12,-3.73,;-4.21,-2.64,;-5.7,-3.04,;-6.79,-1.95,;-8.28,-2.35,;-9.36,-1.26,;-8.67,-3.84,;-6.1,-4.53,;-5.01,-5.62,;3.97,-9.01,;5.51,-9.01,;7.05,-11.68,;6.28,-13.01,;7.05,-14.34,;8.59,-14.34,;9.36,-13.01,;8.59,-11.68,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2C=CNc3c2ccn3C)CC1)c1ccccc1 |r,wU:6.11,3.2,c:21,(3.09,-25.14,;3.86,-26.48,;5.4,-26.48,;3.09,-27.81,;2.32,-29.14,;.78,-29.14,;.01,-27.81,;-.89,-26.56,;-2.36,-27.04,;-2.36,-28.58,;-3.6,-29.48,;-.89,-29.06,;-3.45,-25.95,;-3.05,-24.46,;-4.14,-23.37,;-5.63,-23.77,;-6.02,-25.26,;-4.93,-26.35,;-6.71,-22.68,;-8.2,-23.08,;-9.29,-21.99,;-8.89,-20.51,;-7.4,-20.11,;-6.32,-21.2,;-4.94,-20.5,;-5.18,-18.98,;-6.71,-18.74,;-7.4,-17.36,;.78,-26.48,;2.32,-26.48,;3.86,-29.14,;3.09,-30.48,;3.86,-31.81,;5.4,-31.81,;6.17,-30.48,;5.4,-29.14,)|
CN(C)[C@@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccs1 |r,wU:3.2,wD:6.11,(15.94,22.7,;14.46,23.09,;14.06,24.58,;13.37,22.01,;12.6,23.34,;11.06,23.34,;10.29,22.01,;9.38,23.25,;7.92,22.78,;7.92,21.24,;6.58,20.47,;9.38,20.76,;6.83,23.86,;5.34,23.47,;4.25,24.56,;4.65,26.04,;6.14,26.44,;7.23,25.35,;8.72,25.75,;3.56,27.13,;2.07,26.73,;3.96,28.62,;2.47,28.22,;11.06,20.67,;12.6,20.67,;14.46,20.92,;14.22,19.4,;15.59,18.7,;16.68,19.79,;15.98,21.16,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccs1 |r,wU:6.11,3.2,(-6.1,7.94,;-7.58,8.34,;-7.98,9.83,;-8.67,7.25,;-9.44,5.92,;-10.98,5.92,;-11.75,7.25,;-12.66,8.5,;-14.12,8.02,;-14.12,6.48,;-15.46,5.71,;-12.66,6.01,;-15.21,9.11,;-16.7,8.71,;-17.79,9.8,;-17.39,11.29,;-15.9,11.69,;-14.81,10.6,;-13.33,11,;-18.48,12.38,;-19.97,11.98,;-18.08,13.87,;-19.57,13.47,;-10.98,8.59,;-9.44,8.59,;-7.58,6.16,;-7.83,4.64,;-6.45,3.94,;-5.36,5.03,;-6.06,6.4,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C(F)(F)F)N2CCS(=O)(=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(18.09,4.17,;16.76,4.94,;16.76,6.48,;15.43,4.17,;14.46,2.98,;12.94,3.22,;12.38,4.66,;11.69,6.03,;10.16,5.79,;9.92,4.27,;8.59,3.5,;11.3,3.57,;9.08,6.88,;7.59,6.48,;6.5,7.57,;6.9,9.05,;8.39,9.45,;9.47,8.36,;10.96,8.76,;11.36,10.25,;12.05,7.67,;12.45,9.16,;5.81,10.14,;6.21,11.63,;5.12,12.72,;3.63,12.32,;3.63,13.86,;2.14,11.92,;3.23,10.83,;4.32,9.74,;13.35,5.85,;14.87,5.61,;16.52,3.09,;16.12,1.6,;17.21,.51,;18.69,.91,;19.09,2.4,;18,3.48,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NCCO)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.23,-20.73,;-4.77,-20.73,;-5.54,-19.4,;-5.54,-22.06,;-6.31,-23.4,;-7.85,-23.4,;-8.62,-22.06,;-9.53,-20.82,;-10.99,-21.29,;-10.99,-22.83,;-12.32,-23.6,;-9.53,-23.31,;-12.08,-20.21,;-11.68,-18.72,;-12.77,-17.63,;-14.26,-18.03,;-15.35,-16.94,;-16.83,-17.34,;-17.92,-16.25,;-19.41,-16.65,;-14.66,-19.52,;-13.57,-20.6,;-7.85,-20.73,;-6.31,-20.73,;-4.77,-23.4,;-5.54,-24.73,;-4.77,-26.07,;-3.23,-26.07,;-2.46,-24.73,;-3.23,-23.4,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)Cc2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.2,-23.28,;17.66,-23.28,;16.89,-21.95,;16.89,-24.62,;16.12,-25.95,;14.58,-25.95,;13.81,-24.62,;12.9,-23.37,;11.44,-23.85,;11.44,-25.39,;10.1,-26.16,;12.9,-25.86,;10.35,-22.76,;10.75,-21.27,;9.66,-20.18,;8.17,-20.58,;7.77,-22.07,;8.86,-23.16,;7.08,-19.49,;7.08,-17.95,;5.59,-19.89,;4.5,-18.8,;4.9,-17.31,;3.81,-16.23,;2.33,-16.62,;1.93,-18.11,;3.02,-19.2,;14.58,-23.28,;16.12,-23.28,;17.66,-25.95,;16.89,-27.29,;17.66,-28.62,;19.2,-28.62,;19.97,-27.29,;19.2,-25.95,)|
COCCOCCOCCOCCNC(=O)c1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:24.41,27.31,(-19.85,26.53,;-18.52,25.76,;-17.19,26.53,;-15.85,25.76,;-14.52,26.53,;-13.19,25.76,;-11.85,26.53,;-10.52,25.76,;-9.18,26.53,;-7.85,25.76,;-6.52,26.53,;-5.18,25.76,;-3.85,26.53,;-2.52,25.76,;-1.18,26.53,;-1.18,28.07,;.15,25.76,;.15,24.22,;1.48,23.45,;2.82,24.22,;2.82,25.76,;1.48,26.53,;4.15,23.45,;5.62,23.92,;6.52,22.68,;7.29,21.34,;8.83,21.34,;9.6,22.68,;8.83,24.01,;7.29,24.01,;10.37,24.01,;11.91,24.01,;9.97,25.5,;10.37,21.34,;9.6,20.01,;10.37,18.67,;11.91,18.67,;12.68,20.01,;11.91,21.34,;5.62,21.43,;4.15,21.91,;2.82,21.14,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-n2ncc3ccccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.5,8.54,;-7.04,8.54,;-7.81,9.87,;-7.81,7.2,;-8.58,5.87,;-10.12,5.87,;-10.89,7.2,;-11.8,8.45,;-13.26,7.97,;-13.26,6.43,;-14.59,5.66,;-11.8,5.96,;-14.35,9.06,;-13.95,10.55,;-15.04,11.64,;-16.53,11.24,;-16.93,9.75,;-15.84,8.66,;-17.62,12.33,;-19.14,12.09,;-19.84,13.46,;-18.75,14.55,;-18.83,16.09,;-17.54,16.93,;-16.16,16.23,;-16.08,14.69,;-17.38,13.85,;-10.12,8.54,;-8.58,8.54,;-7.04,5.87,;-7.81,4.54,;-7.04,3.2,;-5.5,3.2,;-4.73,4.54,;-5.5,5.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)CCO)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.08,11.67,;17.54,11.67,;16.77,13,;16.77,10.33,;16,9,;14.46,9,;13.69,10.33,;12.79,11.58,;11.32,11.1,;11.32,9.56,;9.99,8.79,;12.79,9.09,;10.24,12.19,;10.63,13.68,;9.55,14.77,;8.06,14.37,;7.66,12.88,;8.75,11.8,;6.97,15.46,;7.37,16.95,;5.48,15.06,;4.39,16.15,;2.9,15.75,;14.46,11.67,;16,11.67,;17.54,9,;16.77,7.67,;17.54,6.33,;19.08,6.33,;19.85,7.67,;19.08,9,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2F)C(F)(F)F)CC1)c1ccccc1 |r,wD:6.11,3.2,(13.64,-8.57,;14.41,-7.24,;15.95,-7.24,;13.64,-5.91,;12.87,-4.57,;11.33,-4.57,;10.56,-5.91,;9.66,-4.66,;8.19,-5.14,;8.19,-6.68,;6.86,-7.45,;9.66,-7.15,;7.1,-4.05,;7.5,-2.56,;6.41,-1.47,;4.93,-1.87,;4.53,-3.36,;5.62,-4.45,;5.22,-5.93,;3.84,-.78,;4.23,.71,;2.35,-1.18,;2.75,.31,;11.33,-7.24,;12.87,-7.24,;14.41,-4.57,;15.95,-4.57,;16.72,-3.24,;15.95,-1.91,;14.41,-1.91,;13.64,-3.24,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(C)cn2)CC1)c1ccccc1 |r,wD:6.11,3.2,(-10.04,-18.32,;-9.27,-16.99,;-7.73,-16.99,;-10.04,-15.65,;-10.81,-14.32,;-12.35,-14.32,;-13.12,-15.65,;-14.03,-14.41,;-15.49,-14.88,;-15.49,-16.42,;-16.83,-17.19,;-14.03,-16.9,;-16.58,-13.79,;-18.07,-14.19,;-19.16,-13.1,;-18.76,-11.62,;-19.85,-10.53,;-17.27,-11.22,;-16.18,-12.31,;-12.35,-16.99,;-10.81,-16.99,;-9.27,-14.32,;-7.73,-14.32,;-6.96,-12.99,;-7.73,-11.65,;-9.27,-11.65,;-10.04,-12.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncncc2F)CC1)c1ccccc1 |r,wD:6.11,3.2,(11.32,-17.64,;12.09,-16.31,;13.63,-16.31,;11.32,-14.97,;10.55,-13.64,;9.01,-13.64,;8.24,-14.97,;7.33,-13.73,;5.87,-14.2,;5.87,-15.74,;4.53,-16.51,;7.33,-16.22,;4.78,-13.11,;5.18,-11.63,;4.09,-10.54,;2.6,-10.94,;2.2,-12.42,;3.29,-13.51,;2.89,-15,;9.01,-16.31,;10.55,-16.31,;12.09,-13.64,;13.63,-13.64,;14.4,-12.3,;13.63,-10.97,;12.09,-10.97,;11.32,-12.3,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(F)cn2)CC1)c1ccccc1 |r,wD:6.11,3.2,(-9.89,-28.07,;-9.12,-26.73,;-7.58,-26.73,;-9.89,-25.4,;-10.66,-24.06,;-12.2,-24.06,;-12.97,-25.4,;-13.87,-24.15,;-15.34,-24.63,;-15.34,-26.17,;-16.67,-26.94,;-13.87,-26.64,;-16.43,-23.54,;-16.03,-22.05,;-17.12,-20.96,;-18.6,-21.36,;-19.69,-20.27,;-19,-22.85,;-17.91,-23.94,;-12.2,-26.73,;-10.66,-26.73,;-9.12,-24.06,;-7.58,-24.06,;-6.81,-22.73,;-7.58,-21.4,;-9.12,-21.4,;-9.89,-22.73,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccn2)CC1)c1ccccc1 |r,wD:6.11,3.2,(11.52,-27.18,;12.29,-25.84,;13.83,-25.84,;11.52,-24.51,;10.75,-23.18,;9.21,-23.18,;8.44,-24.51,;7.53,-23.27,;6.07,-23.74,;6.07,-25.28,;4.73,-26.05,;7.53,-25.76,;4.98,-22.65,;3.49,-23.05,;2.4,-21.96,;2.8,-20.47,;4.29,-20.08,;5.38,-21.16,;9.21,-25.84,;10.75,-25.84,;12.29,-23.18,;13.83,-23.18,;14.6,-21.84,;13.83,-20.51,;12.29,-20.51,;11.52,-21.84,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3nonc3c2)CC1)c1ccccc1 |r,wD:6.11,3.2,(-7.75,19.84,;-6.98,21.17,;-5.44,21.17,;-7.75,22.5,;-8.52,23.84,;-10.06,23.84,;-10.83,22.5,;-11.74,23.75,;-13.2,23.27,;-13.2,21.73,;-14.53,20.96,;-11.74,21.26,;-14.29,24.36,;-13.89,25.85,;-14.98,26.94,;-16.47,26.54,;-17.76,27.38,;-18.96,26.41,;-18.4,24.97,;-16.87,25.05,;-15.78,23.97,;-10.06,21.17,;-8.52,21.17,;-6.98,23.84,;-5.44,23.84,;-4.67,25.17,;-5.44,26.51,;-6.98,26.51,;-7.75,25.17,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2OCC(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(13.13,21.25,;13.13,19.71,;14.47,18.94,;11.8,18.94,;10.83,17.74,;9.31,17.98,;8.76,19.42,;8.06,20.79,;6.54,20.55,;6.3,19.03,;4.96,18.26,;7.67,18.33,;5.45,21.64,;3.96,21.24,;2.87,22.33,;3.27,23.82,;4.76,24.22,;5.85,23.13,;7.33,23.53,;7.33,25.07,;8.67,25.84,;10,25.07,;8.67,27.38,;9.73,20.62,;11.25,20.38,;12.89,17.85,;12.49,16.36,;13.58,15.27,;15.07,15.67,;15.46,17.16,;14.38,18.25,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(s2)-c2ccncc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.99,7.6,;-6.53,7.6,;-7.3,8.93,;-7.3,6.26,;-8.07,4.93,;-9.61,4.93,;-10.38,6.26,;-11.28,7.51,;-12.75,7.03,;-12.75,5.49,;-14.08,4.72,;-11.28,5.02,;-13.84,8.12,;-15.24,7.5,;-16.27,8.64,;-15.5,9.97,;-14,9.65,;-16.59,11.06,;-16.2,12.55,;-17.28,13.64,;-18.77,13.24,;-19.17,11.75,;-18.08,10.66,;-9.61,7.6,;-8.07,7.6,;-6.53,4.93,;-7.3,3.6,;-6.53,2.26,;-4.99,2.26,;-4.22,3.6,;-4.99,4.93,)|
COC(=O)COc1ccccc1N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:14.31,17.21,(11.33,11.9,;10,11.13,;8.67,11.9,;8.67,13.44,;7.33,11.13,;7.33,9.59,;5.85,9.19,;4.76,10.28,;3.27,9.88,;2.87,8.39,;3.96,7.3,;5.45,7.7,;6.54,6.61,;8.06,6.85,;8.76,5.48,;9.31,4.04,;10.83,3.8,;11.8,5,;11.25,6.44,;9.73,6.68,;13.13,5.77,;13.13,7.31,;14.47,5,;12.89,3.91,;12.49,2.42,;13.58,1.33,;15.07,1.73,;15.46,3.22,;14.38,4.31,;7.67,4.39,;6.3,5.09,;4.96,4.32,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccnc(n2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.07,-3.33,;-4.61,-3.33,;-5.38,-2,;-5.38,-4.67,;-6.15,-6,;-7.69,-6,;-8.46,-4.67,;-9.36,-3.42,;-10.83,-3.9,;-10.83,-5.44,;-12.16,-6.21,;-9.36,-5.91,;-11.92,-2.81,;-11.52,-1.32,;-12.61,-.23,;-14.09,-.63,;-14.49,-2.12,;-13.4,-3.21,;-15.98,-2.52,;-17.07,-1.43,;-18.56,-1.83,;-18.96,-3.31,;-17.87,-4.4,;-16.38,-4,;-7.69,-3.33,;-6.15,-3.33,;-4.61,-6,;-5.38,-7.33,;-4.61,-8.67,;-3.07,-8.67,;-2.3,-7.33,;-3.07,-6,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccc(F)c(F)c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(18.4,-8.28,;16.86,-8.28,;16.09,-6.95,;16.09,-9.62,;15.32,-10.95,;13.78,-10.95,;13.01,-9.62,;12.11,-8.37,;10.64,-8.85,;10.64,-10.39,;9.31,-11.16,;12.11,-10.86,;9.55,-7.76,;9.95,-6.27,;8.86,-5.18,;7.37,-5.58,;6.97,-7.07,;8.06,-8.16,;6.28,-4.49,;4.8,-4.89,;3.71,-3.8,;4.11,-2.31,;3.02,-1.23,;5.59,-1.92,;5.99,-.43,;6.68,-3.01,;13.78,-8.28,;15.32,-8.28,;16.86,-10.95,;16.09,-12.29,;16.86,-13.62,;18.4,-13.62,;19.17,-12.29,;18.4,-10.95,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.48,-22.05,;-6.02,-22.05,;-6.79,-20.71,;-6.79,-23.38,;-7.56,-24.71,;-9.1,-24.71,;-9.87,-23.38,;-10.77,-22.13,;-12.24,-22.61,;-12.24,-24.15,;-13.57,-24.92,;-10.77,-24.63,;-13.33,-21.52,;-12.93,-20.03,;-14.02,-18.94,;-15.5,-19.34,;-15.9,-20.83,;-14.81,-21.92,;-16.59,-18.25,;-18.08,-18.65,;-19.17,-17.56,;-18.77,-16.08,;-17.28,-15.68,;-16.2,-16.77,;-14.71,-16.37,;-13.22,-15.97,;-9.1,-22.05,;-7.56,-22.05,;-6.02,-24.71,;-6.79,-26.05,;-6.02,-27.38,;-4.48,-27.38,;-3.71,-26.05,;-4.48,-24.71,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.93,-19.66,;14.39,-19.66,;13.62,-18.33,;13.62,-20.99,;12.85,-22.33,;11.31,-22.33,;10.54,-20.99,;9.63,-19.75,;8.17,-20.22,;8.17,-21.76,;6.83,-22.53,;9.63,-22.24,;7.08,-19.14,;7.48,-17.65,;6.39,-16.56,;4.9,-16.96,;3.81,-15.87,;4.5,-18.45,;5.59,-19.53,;11.31,-19.66,;12.85,-19.66,;14.39,-22.33,;13.62,-23.66,;14.39,-25,;15.93,-25,;16.7,-23.66,;15.93,-22.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NC(=O)C3CC3)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.67,20.91,;-9.15,21.31,;-9.55,22.79,;-10.24,20.22,;-11.01,18.88,;-12.55,18.88,;-13.32,20.22,;-14.23,21.46,;-15.69,20.99,;-15.69,19.45,;-17.03,18.68,;-14.23,18.97,;-16.78,22.08,;-16.38,23.56,;-17.47,24.65,;-18.96,24.25,;-20.05,25.34,;-19.65,26.83,;-20.74,27.92,;-18.16,27.23,;-16.68,26.83,;-17.07,28.32,;-19.36,22.77,;-18.27,21.68,;-12.55,21.55,;-11.01,21.55,;-9.15,19.13,;-9.55,17.64,;-8.46,16.55,;-6.98,16.95,;-6.58,18.44,;-7.67,19.53,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(CC(N)=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.99,20.4,;18.45,20.4,;17.68,21.73,;17.68,19.06,;16.91,17.73,;15.37,17.73,;14.6,19.06,;13.69,20.31,;12.23,19.83,;12.23,18.29,;10.89,17.52,;13.69,17.82,;11.14,20.92,;11.54,22.41,;10.45,23.5,;8.96,23.1,;8.56,21.61,;9.65,20.52,;7.87,24.19,;8.27,25.68,;7.18,26.76,;5.69,26.37,;4.6,27.45,;3.12,27.06,;2.03,28.15,;2.72,25.57,;5.29,24.88,;6.38,23.79,;15.37,20.4,;16.91,20.4,;18.45,17.73,;17.68,16.39,;18.45,15.06,;19.99,15.06,;20.76,16.39,;19.99,17.73,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)N2CCNCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.97,7,;-7.51,7,;-8.28,8.33,;-8.28,5.67,;-9.05,4.33,;-10.59,4.33,;-11.36,5.67,;-12.27,6.91,;-13.73,6.44,;-13.73,4.9,;-15.07,4.13,;-12.27,4.42,;-14.82,7.53,;-14.42,9.01,;-15.51,10.1,;-17,9.7,;-17.4,8.22,;-16.31,7.13,;-18.09,10.79,;-17.69,12.28,;-18.78,13.37,;-20.27,12.97,;-20.67,11.48,;-19.58,10.39,;-10.59,7,;-9.05,7,;-7.51,4.33,;-8.28,3,;-7.51,1.67,;-5.97,1.67,;-5.2,3,;-5.97,4.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.46,6.32,;14.92,6.32,;14.15,7.65,;14.15,4.99,;13.38,3.65,;11.84,3.65,;11.07,4.99,;10.16,6.23,;8.7,5.76,;8.7,4.22,;7.37,3.45,;10.16,3.74,;7.61,6.84,;8.01,8.33,;6.92,9.42,;5.43,9.02,;5.03,7.53,;6.12,6.45,;4.34,10.11,;4.74,11.6,;3.65,12.69,;2.17,12.29,;1.08,13.38,;1.77,10.8,;2.86,9.71,;11.84,6.32,;13.38,6.32,;14.92,3.65,;14.15,2.32,;14.92,.98,;16.46,.98,;17.23,2.32,;16.46,3.65,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCS(=O)(=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.66,-9.93,;-6.12,-9.43,;-6.42,-7.92,;-7.28,-10.44,;-8.14,-11.72,;-9.68,-11.61,;-10.35,-10.23,;-11.17,-8.93,;-12.67,-9.3,;-12.77,-10.84,;-14.15,-11.51,;-11.34,-11.41,;-13.75,-8.21,;-15.24,-8.61,;-16.33,-7.52,;-15.93,-6.03,;-14.45,-5.63,;-13.36,-6.72,;-11.87,-6.33,;-17.02,-4.94,;-16.62,-3.46,;-17.71,-2.37,;-19.2,-2.77,;-19.2,-1.23,;-20.74,-2.77,;-19.6,-4.25,;-18.51,-5.34,;-9.49,-8.95,;-7.96,-9.06,;-6.19,-11.53,;-6.59,-13.02,;-5.5,-14.11,;-4.01,-13.71,;-3.62,-12.22,;-4.71,-11.13,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.68,-6.55,;13.14,-6.55,;12.37,-5.22,;12.37,-7.89,;11.6,-9.22,;10.06,-9.22,;9.29,-7.89,;8.39,-6.64,;6.92,-7.12,;6.92,-8.66,;5.59,-9.43,;8.39,-9.13,;5.83,-6.03,;6.23,-4.54,;5.14,-3.45,;3.66,-3.85,;3.26,-5.34,;4.35,-6.43,;2.57,-2.76,;1.23,-3.53,;2.57,-1.22,;3.9,-1.99,;10.06,-6.55,;11.6,-6.55,;13.14,-9.22,;12.37,-10.55,;13.14,-11.89,;14.68,-11.89,;15.45,-10.55,;14.68,-9.22,)|
COCCCN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1ncc(cn1)C#N |r,wU:10.10,13.17,(-13.67,-28.32,;-14.07,-26.83,;-12.98,-25.74,;-13.38,-24.25,;-12.29,-23.16,;-12.69,-21.68,;-14.15,-21.2,;-15.48,-21.97,;-14.15,-19.66,;-12.69,-19.19,;-11.78,-20.43,;-11.01,-21.77,;-9.47,-21.77,;-8.7,-20.43,;-9.47,-19.1,;-11.01,-19.1,;-7.93,-19.1,;-6.39,-19.1,;-8.7,-17.76,;-7.93,-21.77,;-8.7,-23.1,;-7.93,-24.43,;-6.39,-24.43,;-5.62,-23.1,;-6.39,-21.77,;-15.42,-18.89,;-15.42,-17.35,;-16.75,-16.58,;-18.09,-17.35,;-18.09,-18.89,;-16.75,-19.66,;-19.42,-16.58,;-20.76,-15.81,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCN(C)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.46,-22.66,;14.92,-22.66,;14.15,-21.33,;14.15,-23.99,;13.38,-25.33,;11.84,-25.33,;11.07,-23.99,;10.16,-22.75,;8.7,-23.22,;8.7,-24.76,;7.37,-25.53,;10.16,-25.24,;7.61,-22.14,;8.01,-20.65,;6.92,-19.56,;5.43,-19.96,;5.03,-21.44,;6.12,-22.53,;4.34,-18.87,;4.74,-17.38,;3.65,-16.29,;2.17,-16.69,;1.08,-15.6,;1.77,-18.18,;2.86,-19.27,;11.84,-22.66,;13.38,-22.66,;14.92,-25.33,;14.15,-26.66,;14.92,-28,;16.46,-28,;17.23,-26.66,;16.46,-25.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.93,21.36,;-6.47,21.36,;-7.24,22.7,;-7.24,20.03,;-8.01,18.69,;-9.55,18.69,;-10.32,20.03,;-11.23,21.27,;-12.69,20.8,;-12.69,19.26,;-14.03,18.49,;-11.23,18.78,;-10.46,17.45,;-11.23,16.11,;-9.74,15.72,;-12.77,16.11,;-12.77,14.57,;-11.23,14.57,;-13.78,21.89,;-13.38,23.37,;-14.47,24.46,;-15.96,24.07,;-16.36,22.58,;-15.27,21.49,;-17.05,25.15,;-16.65,26.64,;-18.54,24.76,;-18.38,25.92,;-9.55,21.36,;-8.01,21.36,;-6.47,18.69,;-7.24,17.36,;-6.47,16.03,;-4.93,16.03,;-4.16,17.36,;-4.93,18.69,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CCCOC)c2ncc(cn2)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(15.61,24.69,;16.38,23.35,;15.61,22.02,;14.84,20.68,;13.3,20.68,;12.53,22.02,;11.63,23.26,;10.16,22.79,;10.16,21.25,;8.83,20.48,;11.63,20.77,;12.03,19.28,;10.94,18.2,;11.34,16.71,;10.25,15.62,;10.64,14.13,;8.89,23.56,;8.89,25.1,;7.56,25.87,;6.23,25.1,;6.23,23.56,;7.56,22.79,;4.89,25.87,;3.56,26.64,;13.3,23.35,;14.84,23.35,;16.38,20.68,;15.61,19.35,;16.38,18.02,;17.92,18.02,;18.69,19.35,;17.92,20.68,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.33,7.04,;-6.87,7.04,;-7.64,8.37,;-7.64,5.71,;-8.41,4.37,;-9.95,4.37,;-10.72,5.71,;-11.63,6.95,;-13.09,6.48,;-13.09,4.94,;-14.42,4.17,;-11.63,4.46,;-14.18,7.57,;-13.78,9.05,;-14.87,10.14,;-16.36,9.74,;-16.76,8.26,;-15.67,7.17,;-17.45,10.83,;-16.36,11.92,;-18.54,9.74,;-18.54,11.92,;-9.95,7.04,;-8.41,7.04,;-6.87,4.37,;-7.64,3.04,;-6.87,1.71,;-5.33,1.71,;-4.56,3.04,;-5.33,4.37,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.32,8.42,;15.09,7.09,;16.63,7.09,;14.32,5.75,;13.55,4.42,;12.01,4.42,;11.24,5.75,;10.34,7,;8.87,6.52,;8.87,4.98,;7.54,4.21,;10.34,4.51,;7.91,7.57,;8.31,9.05,;7.22,10.14,;5.74,9.74,;5.34,8.26,;6.43,7.17,;4.65,10.83,;3.56,11.92,;12.01,7.09,;13.55,7.09,;15.09,4.42,;14.32,3.09,;15.09,1.75,;16.63,1.75,;17.4,3.09,;16.63,4.42,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.99,-7.04,;-5.53,-7.04,;-6.3,-5.7,;-6.3,-8.37,;-7.07,-9.7,;-8.61,-9.7,;-9.38,-8.37,;-10.29,-7.12,;-11.75,-7.6,;-11.75,-9.14,;-13.08,-9.91,;-10.29,-9.62,;-12.84,-6.51,;-12.44,-5.02,;-13.53,-3.93,;-15.02,-4.33,;-15.42,-5.82,;-14.33,-6.91,;-16.11,-3.24,;-15.71,-1.76,;-16.8,-.67,;-18.28,-1.07,;-18.68,-2.55,;-17.59,-3.64,;-8.61,-7.04,;-7.07,-7.04,;-5.53,-9.7,;-6.3,-11.04,;-5.53,-12.37,;-3.99,-12.37,;-3.22,-11.04,;-3.99,-9.7,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(C)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.46,-4.45,;13.92,-4.45,;13.15,-3.12,;13.15,-5.78,;12.38,-7.12,;10.84,-7.12,;10.07,-5.78,;9.17,-4.54,;7.7,-5.01,;7.7,-6.55,;6.37,-7.32,;9.17,-7.03,;6.62,-3.92,;7.01,-2.44,;5.93,-1.35,;4.44,-1.75,;3.35,-.66,;4.04,-3.23,;5.13,-4.32,;10.84,-4.45,;12.38,-4.45,;13.92,-7.12,;13.15,-8.45,;13.92,-9.78,;15.46,-9.78,;16.23,-8.45,;15.46,-7.12,)|
COc1ccccc1CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(C)nc1 |r,wU:14.15,17.22,(-10.59,-24.2,;-11.68,-25.29,;-13.16,-24.89,;-14.25,-25.98,;-15.74,-25.59,;-16.14,-24.1,;-15.05,-23.01,;-13.56,-23.41,;-12.47,-22.32,;-12.87,-20.83,;-14.34,-20.35,;-15.67,-21.12,;-14.34,-18.81,;-12.87,-18.34,;-11.97,-19.58,;-11.2,-20.92,;-9.66,-20.92,;-8.89,-19.58,;-9.66,-18.25,;-11.2,-18.25,;-8.12,-18.25,;-6.58,-18.25,;-8.89,-16.92,;-8.12,-20.92,;-8.89,-22.25,;-8.12,-23.59,;-6.58,-23.59,;-5.81,-22.25,;-6.58,-20.92,;-15.43,-17.73,;-15.03,-16.24,;-16.12,-15.15,;-17.6,-15.55,;-18.69,-14.46,;-18,-17.04,;-16.91,-18.12,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(14.8,-18.61,;15.57,-19.95,;14.8,-21.28,;14.03,-22.61,;12.49,-22.61,;11.72,-21.28,;10.81,-20.03,;9.35,-20.51,;9.35,-22.05,;8.02,-22.82,;10.81,-22.53,;11.21,-24.01,;10.12,-25.1,;11.61,-25.5,;8.58,-25.1,;8.58,-26.64,;10.12,-26.64,;8.26,-19.42,;8.66,-17.93,;7.57,-16.84,;6.08,-17.24,;5.68,-18.73,;6.77,-19.82,;4.99,-16.15,;3.51,-16.55,;5.39,-14.67,;3.66,-15.38,;12.49,-19.95,;14.03,-19.95,;15.57,-22.61,;14.8,-23.95,;15.57,-25.28,;17.11,-25.28,;17.88,-23.95,;17.11,-22.61,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(C)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.41,23.01,;-6.95,23.01,;-7.72,24.35,;-7.72,21.68,;-8.49,20.35,;-10.03,20.35,;-10.8,21.68,;-11.7,22.93,;-13.17,22.45,;-13.17,20.91,;-14.5,20.14,;-11.7,20.44,;-11.3,18.95,;-12.39,17.86,;-11.99,16.37,;-13.16,19.19,;-14.5,18.42,;-13.73,17.09,;-14.26,23.54,;-13.86,25.03,;-14.95,26.12,;-16.43,25.72,;-17.52,26.81,;-16.83,24.23,;-15.74,23.14,;-10.03,23.01,;-8.49,23.01,;-6.95,20.35,;-7.72,19.01,;-6.95,17.68,;-5.41,17.68,;-4.64,19.01,;-5.41,20.35,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cncnc2)CC1)c1ccccc1 |r,wU:5.10,2.1,(13.84,24.83,;14.61,23.5,;13.84,22.16,;13.07,20.83,;11.53,20.83,;10.76,22.16,;9.86,23.41,;8.39,22.93,;8.39,21.39,;7.06,20.62,;9.86,20.92,;10.26,19.43,;9.17,18.34,;9.57,16.85,;8.4,19.68,;7.06,18.91,;7.83,17.57,;7.3,24.02,;7.7,25.51,;6.61,26.6,;5.13,26.2,;4.73,24.71,;5.82,23.63,;11.53,23.5,;13.07,23.5,;14.61,20.83,;13.84,19.5,;14.61,18.16,;16.15,18.16,;16.92,19.5,;16.15,20.83,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.11,9.39,;-5.65,9.39,;-6.42,10.72,;-6.42,8.06,;-7.19,6.72,;-8.73,6.72,;-9.5,8.06,;-10.4,9.3,;-11.87,8.83,;-11.87,7.29,;-13.2,6.52,;-10.4,6.81,;-12.96,9.91,;-14.45,9.52,;-15.53,10.6,;-15.14,12.09,;-13.65,12.49,;-12.56,11.4,;-11.07,11.8,;-16.22,13.18,;-17.31,14.27,;-8.73,9.39,;-7.19,9.39,;-5.65,6.72,;-6.42,5.39,;-5.65,4.05,;-4.11,4.05,;-3.34,5.39,;-4.11,6.72,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2Cc2ccccn2)c2cnc(C)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.63,10.68,;15.09,10.68,;14.32,12.02,;14.32,9.35,;13.55,8.02,;12.01,8.02,;11.24,9.35,;10.34,10.6,;8.87,10.12,;8.87,8.58,;7.54,7.81,;10.34,8.11,;10.74,6.62,;9.65,5.53,;8.16,5.93,;7.07,4.84,;7.47,3.35,;8.96,2.95,;10.05,4.04,;7.78,11.21,;8.18,12.7,;7.09,13.79,;5.61,13.39,;4.52,14.48,;5.21,11.9,;6.3,10.81,;12.01,10.68,;13.55,10.68,;15.09,8.02,;14.32,6.68,;15.09,5.35,;16.63,5.35,;17.4,6.68,;16.63,8.02,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cncnc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.89,-5.5,;-7.43,-5.5,;-8.2,-4.17,;-8.2,-6.83,;-8.97,-8.17,;-10.51,-8.17,;-11.28,-6.83,;-12.18,-5.59,;-13.65,-6.06,;-13.65,-7.6,;-14.98,-8.37,;-12.18,-8.08,;-14.74,-4.97,;-14.34,-3.49,;-15.43,-2.4,;-16.92,-2.8,;-17.31,-4.28,;-16.22,-5.37,;-10.51,-5.5,;-8.97,-5.5,;-7.43,-8.17,;-8.2,-9.5,;-7.43,-10.83,;-5.89,-10.83,;-5.12,-9.5,;-5.89,-8.17,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cncnc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.15,-5.5,;14.61,-5.5,;13.84,-4.17,;13.84,-6.83,;13.07,-8.17,;11.53,-8.17,;10.76,-6.83,;9.86,-5.59,;8.39,-6.06,;8.39,-7.6,;7.06,-8.37,;9.86,-8.08,;10.26,-9.57,;9.17,-10.66,;9.57,-12.14,;8.4,-9.32,;7.06,-10.09,;7.83,-11.43,;7.3,-4.97,;7.7,-3.49,;6.61,-2.4,;5.13,-2.8,;4.73,-4.28,;5.82,-5.37,;11.53,-5.5,;13.07,-5.5,;14.61,-8.17,;13.84,-9.5,;14.61,-10.83,;16.15,-10.83,;16.92,-9.5,;16.15,-8.17,)|
N[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:4.9,1.0,(-5.3,-20.11,;-6.07,-21.44,;-6.84,-22.78,;-8.38,-22.78,;-9.15,-21.44,;-10.06,-20.2,;-11.52,-20.67,;-11.52,-22.21,;-12.86,-22.98,;-10.06,-22.69,;-9.66,-24.18,;-10.75,-25.27,;-9.42,-25.86,;-12.29,-25.27,;-12.29,-26.81,;-10.75,-26.81,;-12.61,-19.59,;-12.21,-18.1,;-13.3,-17.01,;-14.79,-17.41,;-15.19,-18.9,;-14.1,-19.98,;-15.88,-16.32,;-17.37,-16.72,;-15.48,-14.83,;-17.21,-15.55,;-8.38,-20.11,;-6.84,-20.11,;-5.3,-22.78,;-6.07,-24.11,;-5.3,-25.45,;-3.76,-25.45,;-2.99,-24.11,;-3.76,-22.78,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc(F)c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.43,-19.43,;14.95,-19.04,;14.55,-17.55,;13.86,-20.13,;13.09,-21.46,;11.55,-21.46,;10.78,-20.13,;9.87,-18.88,;8.41,-19.36,;8.41,-20.9,;7.07,-21.67,;9.87,-21.37,;7.19,-18.68,;5.86,-19.45,;4.53,-18.68,;4.53,-17.14,;5.86,-16.37,;5.86,-14.83,;7.19,-17.14,;11.55,-18.79,;13.09,-18.79,;14.95,-21.21,;14.55,-22.7,;15.64,-23.79,;17.12,-23.39,;17.52,-21.9,;16.43,-20.82,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc(c2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.32,25.76,;-8.86,25.76,;-9.63,27.09,;-9.63,24.43,;-10.4,23.09,;-11.94,23.09,;-12.71,24.43,;-13.62,25.67,;-15.08,25.2,;-15.08,23.66,;-16.42,22.89,;-13.62,23.18,;-16.17,26.29,;-17.66,25.89,;-18.75,26.98,;-18.35,28.46,;-16.86,28.86,;-15.78,27.77,;-16.47,30.35,;-17.95,30.75,;-14.98,29.95,;-16.07,31.84,;-11.94,25.76,;-10.4,25.76,;-8.86,23.09,;-9.63,21.76,;-8.86,20.43,;-7.32,20.43,;-6.55,21.76,;-7.32,23.09,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.71,26.96,;15.17,26.96,;14.4,28.29,;14.4,25.62,;13.63,24.29,;12.09,24.29,;11.32,25.62,;10.42,26.87,;8.95,26.39,;8.95,24.85,;7.62,24.08,;10.42,24.38,;7.86,27.48,;8.26,28.97,;7.17,30.06,;5.68,29.66,;5.29,28.17,;6.37,27.08,;4.6,30.75,;3.51,29.66,;5.68,31.84,;3.51,31.84,;12.09,26.96,;13.63,26.96,;15.17,24.29,;14.4,22.95,;15.17,21.62,;16.71,21.62,;17.48,22.95,;16.71,24.29,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccnn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.32,14.5,;-8.86,14.5,;-9.63,15.83,;-9.63,13.17,;-10.4,11.83,;-11.94,11.83,;-12.71,13.17,;-13.62,14.41,;-15.08,13.94,;-15.08,12.4,;-16.42,11.63,;-13.62,11.92,;-16.17,15.03,;-17.66,14.63,;-18.75,15.72,;-18.35,17.2,;-16.86,17.6,;-15.78,16.51,;-11.94,14.5,;-10.4,14.5,;-8.86,11.83,;-9.63,10.5,;-8.86,9.17,;-7.32,9.17,;-6.55,10.5,;-7.32,11.83,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2OC)C#N)CC1)c1ccccc1 |r,wU:5.10,2.1,(14.39,14.05,;15.16,12.72,;14.39,11.39,;13.62,10.05,;12.08,10.05,;11.31,11.39,;10.4,12.63,;8.94,12.16,;8.94,10.62,;7.6,9.85,;10.4,10.14,;7.85,13.25,;6.36,12.85,;5.27,13.94,;5.67,15.42,;7.16,15.82,;8.24,14.73,;9.58,15.5,;9.58,17.04,;4.58,16.51,;3.49,17.6,;12.08,12.72,;13.62,12.72,;15.16,10.05,;14.39,8.72,;15.16,7.39,;16.7,7.39,;17.47,8.72,;16.7,10.05,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.88,2.62,;-8.37,3.01,;-8.77,4.5,;-9.46,1.92,;-10.23,.59,;-11.77,.59,;-12.54,1.92,;-13.44,3.17,;-14.91,2.69,;-14.91,1.15,;-16.24,.38,;-13.44,.68,;-16.09,3.33,;-17.42,2.56,;-18.75,3.33,;-18.75,4.87,;-17.42,5.64,;-16.09,4.87,;-14.75,5.64,;-11.77,3.26,;-10.23,3.26,;-8.37,.84,;-8.77,-.65,;-7.68,-1.74,;-6.19,-1.34,;-5.79,.15,;-6.88,1.23,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.67,.8,;16.44,-.53,;17.98,-.53,;15.67,-1.86,;14.9,-3.2,;13.36,-3.2,;12.59,-1.86,;11.69,-.62,;10.22,-1.09,;10.22,-2.63,;8.89,-3.4,;11.69,-3.11,;9.13,-0,;9.53,1.48,;8.44,2.57,;6.96,2.17,;6.56,.69,;7.65,-.4,;5.87,3.26,;6.27,4.75,;5.18,5.84,;3.69,5.44,;3.29,3.95,;4.38,2.86,;13.36,-.53,;14.9,-.53,;16.44,-3.2,;15.67,-4.53,;16.44,-5.86,;17.98,-5.86,;18.75,-4.53,;17.98,-3.2,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2COC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(-7.31,-11.45,;-6.54,-12.79,;-7.31,-14.12,;-8.08,-15.45,;-9.62,-15.45,;-10.39,-14.12,;-11.3,-12.87,;-12.76,-13.35,;-12.76,-14.89,;-14.09,-15.66,;-11.3,-15.37,;-10.9,-16.85,;-11.99,-17.94,;-13.53,-17.94,;-13.53,-19.48,;-11.99,-19.48,;-13.85,-12.26,;-13.45,-10.77,;-14.54,-9.68,;-16.03,-10.08,;-16.43,-11.57,;-15.34,-12.66,;-17.12,-8.99,;-18.6,-9.39,;-16.72,-7.51,;-18.2,-7.91,;-9.62,-12.79,;-8.08,-12.79,;-6.54,-15.45,;-7.31,-16.79,;-6.54,-18.12,;-5,-18.12,;-4.23,-16.79,;-5,-15.45,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(14.73,-11.45,;15.5,-12.79,;14.73,-14.12,;13.96,-15.45,;12.42,-15.45,;11.65,-14.12,;10.75,-12.87,;9.28,-13.35,;9.28,-14.89,;7.95,-15.66,;10.75,-15.37,;11.14,-16.85,;10.06,-17.94,;8.57,-18.34,;9.66,-19.43,;8.19,-12.26,;8.59,-10.77,;7.5,-9.68,;6.01,-10.08,;5.62,-11.57,;6.7,-12.66,;4.93,-8.99,;3.44,-9.39,;5.32,-7.51,;3.84,-7.91,;12.42,-12.79,;13.96,-12.79,;15.5,-15.45,;14.73,-16.79,;15.5,-18.12,;17.04,-18.12,;17.81,-16.79,;17.04,-15.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cc2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.66,-25.17,;-6.89,-26.5,;-5.35,-26.5,;-7.66,-27.84,;-8.43,-29.17,;-9.97,-29.17,;-10.74,-27.84,;-11.64,-26.59,;-13.11,-27.07,;-13.11,-28.61,;-14.44,-29.38,;-11.64,-29.08,;-14.2,-25.98,;-13.8,-24.49,;-14.89,-23.4,;-16.37,-23.8,;-16.77,-25.29,;-15.68,-26.38,;-17.46,-22.71,;-18.55,-21.62,;-9.97,-26.5,;-8.43,-26.5,;-6.89,-29.17,;-7.66,-30.5,;-6.89,-31.84,;-5.35,-31.84,;-4.58,-30.5,;-5.35,-29.17,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-10.81,30.55,;-10.04,29.21,;-8.5,29.21,;-10.81,27.88,;-11.58,26.55,;-13.12,26.55,;-13.89,27.88,;-14.79,29.12,;-16.26,28.65,;-16.26,27.11,;-17.59,26.34,;-14.79,26.63,;-17.35,29.74,;-18.83,29.34,;-19.92,30.43,;-19.52,31.92,;-18.04,32.31,;-16.95,31.23,;-15.46,31.62,;-13.97,32.02,;-13.12,29.21,;-11.58,29.21,;-10.04,26.55,;-10.81,25.21,;-10.04,23.88,;-8.5,23.88,;-7.73,25.21,;-8.5,26.55,)|
CCN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.33,29.5,;13.56,28.17,;14.33,26.84,;13.56,25.5,;12.79,24.17,;11.25,24.17,;10.48,25.5,;9.57,26.75,;8.11,26.27,;8.11,24.73,;6.78,23.96,;9.57,24.26,;9.97,22.77,;8.88,21.68,;10.22,20.91,;7.34,21.68,;7.34,20.14,;8.88,20.14,;7.02,27.36,;7.42,28.85,;6.33,29.94,;4.84,29.54,;4.44,28.05,;5.53,26.96,;3.75,30.63,;4.15,32.12,;2.27,30.23,;2.42,31.4,;11.25,26.84,;12.79,26.84,;14.33,24.17,;13.56,22.84,;14.33,21.5,;15.87,21.5,;16.64,22.84,;15.87,24.17,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)c2cnc(C)nc2)CC1)c1ccccc1 |r,wU:5.10,2.1,(-10.13,15.9,;-9.36,14.57,;-10.13,13.23,;-10.9,11.9,;-12.44,11.9,;-13.21,13.23,;-14.11,14.48,;-15.58,14,;-15.58,12.46,;-16.91,11.69,;-14.11,11.99,;-13.71,10.5,;-14.8,9.41,;-14.4,7.92,;-15.57,10.74,;-16.91,9.97,;-16.14,8.64,;-16.67,15.09,;-16.27,16.58,;-17.36,17.67,;-18.84,17.27,;-19.93,18.36,;-19.24,15.78,;-18.15,14.69,;-12.44,14.57,;-10.9,14.57,;-9.36,11.9,;-10.13,10.56,;-9.36,9.23,;-7.82,9.23,;-7.05,10.56,;-7.82,11.9,)|
CCN(C)Cc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:13.30,16.20,(3.67,15.27,;5,16.04,;5,17.58,;3.67,18.35,;6.34,18.35,;7.59,17.53,;7.19,16.04,;8.28,14.95,;9.76,15.35,;10.16,16.84,;9.07,17.93,;10.85,14.26,;12.37,14.5,;13.07,13.13,;13.63,11.69,;15.15,11.45,;16.12,12.65,;15.56,14.09,;14.04,14.33,;17.45,13.42,;17.05,14.91,;18.78,12.65,;17.2,11.56,;16.81,10.07,;17.89,8.98,;19.38,9.38,;19.78,10.87,;18.69,11.96,;11.98,12.04,;10.61,12.74,;9.28,11.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)C2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.44,1.6,;-4.67,.26,;-3.13,.26,;-5.44,-1.07,;-6.21,-2.4,;-7.75,-2.4,;-8.52,-1.07,;-9.42,.18,;-10.89,-.3,;-10.89,-1.84,;-12.22,-2.61,;-9.42,-2.32,;-11.98,.79,;-11.58,2.28,;-12.67,3.37,;-14.16,2.97,;-14.55,1.48,;-13.47,.39,;-15.24,4.06,;-15.24,5.6,;-16.73,3.66,;-17.82,4.75,;-19.31,4.35,;-19.71,2.86,;-18.62,1.77,;-17.13,2.17,;-7.75,.26,;-6.21,.26,;-4.67,-2.4,;-5.44,-3.74,;-4.67,-5.07,;-3.13,-5.07,;-2.36,-3.74,;-3.13,-2.4,)|
COCCOCCOCCOCCNC(=O)c1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:24.41,27.31,(-19.94,-9.54,;-18.6,-10.31,;-17.27,-9.54,;-15.94,-10.31,;-14.6,-9.54,;-13.27,-10.31,;-11.94,-9.54,;-10.6,-10.31,;-9.27,-9.54,;-7.93,-10.31,;-6.6,-9.54,;-5.27,-10.31,;-3.93,-9.54,;-2.6,-10.31,;-1.27,-9.54,;-1.27,-8,;.07,-10.31,;1.4,-9.54,;2.74,-10.31,;2.74,-11.85,;1.4,-12.62,;.07,-11.85,;4.07,-12.62,;5.53,-12.14,;6.44,-13.39,;7.21,-14.72,;8.75,-14.72,;9.52,-13.39,;8.75,-12.05,;7.21,-12.05,;10.29,-12.05,;9.52,-10.72,;11.83,-12.05,;10.29,-14.72,;9.52,-16.05,;10.29,-17.39,;11.83,-17.39,;12.6,-16.05,;11.83,-14.72,;5.53,-14.63,;6.3,-15.97,;5.53,-17.3,;6.87,-18.07,;3.99,-17.3,;3.99,-18.84,;5.53,-18.84,;4.07,-14.16,;2.74,-14.93,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(cc2F)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:5.10,2.1,(-7.44,-23.64,;-6.67,-24.98,;-7.44,-26.31,;-8.21,-27.64,;-9.75,-27.64,;-10.52,-26.31,;-11.42,-25.06,;-12.89,-25.54,;-12.89,-27.08,;-14.22,-27.85,;-11.42,-27.56,;-10.65,-28.89,;-11.42,-30.22,;-12.91,-30.62,;-11.82,-31.71,;-14.22,-24.77,;-15.55,-25.54,;-16.89,-24.77,;-16.89,-23.23,;-15.55,-22.46,;-14.22,-23.23,;-12.89,-22.46,;-18.22,-22.46,;-18.22,-20.92,;-19.71,-22.06,;-18.99,-23.79,;-9.75,-24.98,;-8.21,-24.98,;-6.67,-27.64,;-7.44,-28.98,;-6.67,-30.31,;-5.13,-30.31,;-4.36,-28.98,;-5.13,-27.64,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)CC(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.86,-25.65,;17.63,-26.98,;19.17,-26.98,;16.86,-28.31,;16.09,-29.65,;14.55,-29.65,;13.78,-28.31,;12.87,-27.07,;11.41,-27.54,;11.41,-29.08,;10.07,-29.85,;12.87,-29.56,;10.39,-26.59,;10.79,-25.11,;9.7,-24.02,;8.21,-24.41,;7.81,-25.9,;8.9,-26.99,;7.12,-23.33,;7.52,-21.84,;5.64,-23.72,;4.55,-22.64,;3.06,-23.03,;4.94,-21.15,;14.55,-26.98,;16.09,-26.98,;17.63,-29.65,;16.86,-30.98,;17.63,-32.31,;19.17,-32.31,;19.94,-30.98,;19.17,-29.65,)|
C\C=C(/C)[C@@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NCC(N)=O)nc2)CC1)N(C)C |r,wU:7.12,4.28,wD:4.3,(-.81,17.26,;-1.58,18.6,;-3.12,18.6,;-3.89,17.26,;-3.89,19.93,;-4.66,18.6,;-6.2,18.6,;-6.97,19.93,;-7.87,21.18,;-9.34,20.7,;-9.34,19.16,;-10.67,18.39,;-7.87,18.68,;-10.35,21.65,;-9.95,23.14,;-11.04,24.23,;-12.53,23.83,;-13.62,24.92,;-15.11,24.52,;-16.2,25.61,;-17.68,25.21,;-15.8,27.1,;-12.93,22.34,;-11.84,21.25,;-6.2,21.26,;-4.66,21.26,;-3.12,21.26,;-3.89,22.6,;-1.58,21.26,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(15.55,24.56,;16.32,23.23,;15.55,21.89,;14.78,20.56,;13.24,20.56,;12.47,21.89,;11.56,23.14,;10.1,22.66,;10.1,21.12,;8.76,20.35,;11.56,20.65,;12.33,19.31,;11.56,17.98,;10.07,17.58,;11.16,16.49,;8.9,23.25,;7.57,22.48,;6.23,23.25,;6.23,24.79,;7.57,25.56,;8.9,24.79,;10.23,25.56,;4.9,25.56,;3.56,24.79,;4.9,27.1,;3.56,26.33,;13.24,23.23,;14.78,23.23,;16.32,20.56,;15.55,19.22,;16.32,17.89,;17.86,17.89,;18.63,19.22,;17.86,20.56,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.49,11.65,;-5.72,10.31,;-4.18,10.31,;-6.49,8.98,;-7.26,7.65,;-8.8,7.65,;-9.57,8.98,;-10.48,10.23,;-11.94,9.75,;-11.94,8.21,;-13.28,7.44,;-10.48,7.73,;-9.71,6.4,;-10.48,5.07,;-11.97,4.67,;-10.88,3.58,;-13.14,10.34,;-14.48,9.57,;-15.81,10.34,;-15.81,11.88,;-14.48,12.65,;-13.14,11.88,;-11.81,12.65,;-17.14,12.65,;-18.48,11.88,;-17.14,14.19,;-18.48,13.42,;-8.8,10.31,;-7.26,10.31,;-5.72,7.65,;-6.49,6.31,;-5.72,4.98,;-4.18,4.98,;-3.41,6.31,;-4.18,7.65,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NC(=O)c3cccs3)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.82,8.28,;15.22,6.8,;16.7,6.4,;14.13,5.71,;13.36,4.37,;11.82,4.37,;11.05,5.71,;10.14,6.95,;8.68,6.48,;8.68,4.94,;7.34,4.17,;10.14,4.46,;7.59,7.57,;7.99,9.05,;6.9,10.14,;5.41,9.74,;4.32,10.83,;4.72,12.32,;3.63,13.41,;6.21,12.72,;7.45,11.81,;8.7,12.72,;8.22,14.18,;6.68,14.18,;5.01,8.26,;6.1,7.17,;11.82,7.04,;13.36,7.04,;15.22,4.62,;16.7,5.02,;17.79,3.93,;17.4,2.44,;15.91,2.04,;14.82,3.13,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NC(=O)c3ccccc3)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.22,-5.83,;-6.82,-7.32,;-5.34,-7.72,;-7.91,-8.41,;-8.68,-9.74,;-10.22,-9.74,;-10.99,-8.41,;-11.9,-7.16,;-13.36,-7.64,;-13.36,-9.18,;-14.7,-9.95,;-11.9,-9.65,;-14.45,-6.55,;-14.05,-5.06,;-15.14,-3.97,;-16.63,-4.37,;-17.72,-3.28,;-17.32,-1.79,;-18.41,-.7,;-15.83,-1.39,;-14.74,-2.48,;-13.26,-2.08,;-12.86,-.6,;-13.95,.49,;-15.43,.09,;-17.03,-5.86,;-15.94,-6.95,;-10.22,-7.07,;-8.68,-7.07,;-6.82,-9.49,;-7.22,-10.98,;-6.13,-12.07,;-4.65,-11.67,;-4.25,-10.19,;-5.34,-9.1,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(s2)-c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.29,-3.56,;16.06,-4.89,;17.6,-4.89,;15.29,-6.22,;14.52,-7.56,;12.98,-7.56,;12.21,-6.22,;11.31,-4.98,;9.84,-5.45,;9.84,-6.99,;8.51,-7.76,;11.31,-7.47,;8.64,-4.87,;7.28,-5.58,;6.18,-4.51,;6.86,-3.13,;8.38,-3.35,;5.99,-2.08,;6.39,-.6,;5.3,.49,;3.82,.09,;3.42,-1.39,;4.51,-2.48,;12.98,-4.89,;14.52,-4.89,;16.06,-7.56,;15.29,-8.89,;16.06,-10.23,;17.6,-10.23,;18.37,-8.89,;17.6,-7.56,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccccc2CS(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-9.31,-19.03,;-8.54,-20.37,;-7,-20.37,;-9.31,-21.7,;-10.08,-23.03,;-11.62,-23.03,;-12.39,-21.7,;-13.3,-20.45,;-14.76,-20.93,;-14.76,-22.47,;-16.09,-23.24,;-13.3,-22.95,;-12.53,-24.28,;-13.3,-25.61,;-14.78,-26.01,;-13.7,-27.1,;-15.96,-20.34,;-17.29,-21.11,;-18.63,-20.34,;-18.63,-18.8,;-17.29,-18.03,;-15.96,-18.8,;-14.63,-18.03,;-14.63,-16.49,;-13.29,-15.72,;-15.4,-15.16,;-16.11,-16.09,;-11.62,-20.37,;-10.08,-20.37,;-8.54,-23.03,;-9.31,-24.37,;-8.54,-25.7,;-7,-25.7,;-6.23,-24.37,;-7,-23.03,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccccc2CS(C)(=O)=O)CC1)c1ccccc1 |r,wU:5.10,2.1,(12.73,-19.03,;13.5,-20.37,;12.73,-21.7,;11.96,-23.03,;10.42,-23.03,;9.65,-21.7,;8.74,-20.45,;7.28,-20.93,;7.28,-22.47,;5.95,-23.24,;8.74,-22.95,;9.51,-24.28,;8.74,-25.61,;7.26,-26.01,;8.35,-27.1,;6.08,-20.34,;4.75,-21.11,;3.41,-20.34,;3.41,-18.8,;4.75,-18.03,;6.08,-18.8,;7.42,-18.03,;7.42,-16.49,;8.75,-15.72,;6.65,-15.16,;5.93,-16.09,;10.42,-20.37,;11.96,-20.37,;13.5,-23.03,;12.73,-24.37,;13.5,-25.7,;15.04,-25.7,;15.81,-24.37,;15.04,-23.03,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2CS(C)(=O)=O)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-10.14,25.59,;-9.74,24.11,;-8.26,23.71,;-10.83,23.02,;-11.6,21.68,;-13.14,21.68,;-13.91,23.02,;-14.82,24.26,;-16.28,23.79,;-16.28,22.25,;-17.62,21.48,;-14.82,21.77,;-17.37,24.88,;-18.86,24.48,;-19.95,25.57,;-19.55,27.05,;-18.06,27.45,;-16.97,26.36,;-15.64,27.13,;-15.64,28.67,;-14.31,29.44,;-15.64,30.21,;-17.18,28.67,;-13.14,24.35,;-11.6,24.35,;-9.74,21.93,;-10.14,20.44,;-9.05,19.35,;-7.57,19.75,;-7.17,21.24,;-5.68,21.64,;-8.26,22.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2CS(C)(=O)=O)CC1)c1ccc(F)cc1 |r,wU:6.11,3.2,(11.9,25.59,;12.3,24.11,;13.78,23.71,;11.21,23.02,;10.44,21.68,;8.9,21.68,;8.13,23.02,;7.22,24.26,;5.76,23.79,;5.76,22.25,;4.42,21.48,;7.22,21.77,;4.67,24.88,;3.18,24.48,;2.09,25.57,;2.49,27.05,;3.98,27.45,;5.07,26.36,;6.4,27.13,;6.4,28.67,;7.74,29.44,;6.4,30.21,;4.86,28.67,;8.9,24.35,;10.44,24.35,;12.3,21.93,;11.9,20.44,;12.99,19.35,;14.48,19.75,;15.56,18.66,;14.87,21.24,;13.78,22.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-5.59,-4.06,;-5.19,-5.54,;-3.7,-5.94,;-6.28,-6.63,;-7.05,-7.97,;-8.59,-7.97,;-9.36,-6.63,;-10.27,-5.39,;-11.73,-5.86,;-11.73,-7.4,;-13.06,-8.17,;-10.27,-7.88,;-13.06,-5.09,;-14.4,-5.86,;-15.73,-5.09,;-15.73,-3.55,;-14.4,-2.78,;-13.06,-3.55,;-11.73,-2.78,;-17.07,-2.78,;-17.07,-1.24,;-18.4,-.47,;-19.73,-1.24,;-19.73,-2.78,;-18.4,-3.55,;-8.59,-5.3,;-7.05,-5.3,;-5.19,-7.72,;-5.59,-9.21,;-4.5,-10.3,;-3.01,-9.9,;-2.62,-8.41,;-1.13,-8.01,;-3.7,-7.32,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)N2CCN(CC2)C(C)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.87,-7.66,;17.64,-9,;19.18,-9,;16.87,-10.33,;16.1,-11.67,;14.56,-11.67,;13.79,-10.33,;12.88,-9.09,;11.42,-9.56,;11.42,-11.1,;10.08,-11.87,;12.88,-11.58,;10.33,-8.47,;8.84,-8.87,;7.75,-7.78,;8.15,-6.29,;9.64,-5.9,;10.73,-6.99,;12.22,-6.59,;7.06,-5.21,;7.46,-3.72,;6.37,-2.63,;4.88,-3.03,;4.49,-4.52,;5.58,-5.6,;3.8,-1.94,;4.19,-.45,;2.31,-2.34,;14.56,-9,;16.1,-9,;17.64,-11.67,;16.87,-13,;17.64,-14.33,;19.18,-14.33,;19.95,-13,;19.18,-11.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCN(CC2)C(C)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.17,-23.55,;-4.4,-24.88,;-2.86,-24.88,;-5.17,-26.21,;-5.94,-27.55,;-7.48,-27.55,;-8.25,-26.21,;-9.16,-24.97,;-10.62,-25.44,;-10.62,-26.98,;-11.96,-27.75,;-9.16,-27.46,;-11.71,-24.35,;-13.2,-24.75,;-14.29,-23.66,;-13.89,-22.18,;-12.4,-21.78,;-11.31,-22.87,;-9.83,-22.47,;-14.98,-21.09,;-14.58,-19.6,;-15.67,-18.51,;-17.16,-18.91,;-17.56,-20.4,;-16.47,-21.49,;-18.25,-17.82,;-17.85,-16.33,;-19.73,-18.22,;-7.48,-24.88,;-5.94,-24.88,;-4.4,-27.55,;-5.17,-28.88,;-4.4,-30.21,;-2.86,-30.21,;-2.09,-28.88,;-2.86,-27.55,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)-c2ccncc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.48,-21.39,;15.25,-22.72,;16.79,-22.72,;14.48,-24.06,;13.71,-25.39,;12.17,-25.39,;11.4,-24.06,;10.49,-22.81,;9.03,-23.29,;9.03,-24.83,;7.69,-25.6,;10.49,-25.3,;7.94,-22.2,;6.45,-22.6,;5.36,-21.51,;5.76,-20.02,;7.25,-19.62,;8.33,-20.71,;9.82,-20.31,;4.67,-18.93,;5.07,-17.44,;3.98,-16.35,;2.49,-16.75,;2.09,-18.24,;3.18,-19.33,;12.17,-22.72,;13.71,-22.72,;15.25,-25.39,;14.48,-26.72,;15.25,-28.06,;16.79,-28.06,;17.56,-26.72,;16.79,-25.39,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C(F)(F)F)N2CCN(CC2)C(C)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.71,26.05,;-3.74,24.86,;-2.22,25.1,;-4.1,23.43,;-4.5,21.94,;-5.99,21.55,;-7.08,22.64,;-8.27,23.6,;-9.56,22.77,;-9.17,21.28,;-10.25,20.19,;-7.63,21.2,;-10.93,23.67,;-12.26,22.9,;-13.6,23.67,;-13.6,25.21,;-12.26,25.98,;-10.93,25.21,;-9.6,25.98,;-8.26,25.21,;-9.6,27.52,;-8.26,26.75,;-14.89,26.11,;-14.49,27.6,;-15.58,28.69,;-17.06,28.29,;-17.46,26.8,;-16.37,25.71,;-18.15,29.38,;-17.75,30.87,;-19.64,28.98,;-6.68,24.12,;-5.19,24.52,;-3.19,22.48,;-3.59,20.99,;-2.5,19.9,;-1.01,20.3,;-.62,21.79,;-1.71,22.88,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C(F)(F)F)N2CCNC(=O)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.76,26.87,;16.74,25.67,;18.26,25.92,;16.37,24.25,;15.97,22.76,;14.49,22.36,;13.4,23.45,;12.2,24.42,;10.91,23.58,;11.31,22.1,;10.22,21.01,;12.84,22.01,;9.54,24.48,;8.21,23.71,;6.87,24.48,;6.87,26.02,;8.21,26.79,;9.54,26.02,;10.88,26.79,;12.21,26.02,;10.68,28.22,;12.21,27.56,;5.54,26.79,;4.21,26.02,;2.87,26.79,;2.87,28.33,;4.21,29.1,;4.21,30.64,;5.54,28.33,;13.79,24.94,;15.28,25.34,;17.28,23.3,;16.88,21.81,;17.97,20.72,;19.46,21.12,;19.86,22.61,;18.77,23.7,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cncc3ccccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.57,15.74,;-7.57,14.2,;-6.07,13.86,;-8.85,13.38,;-9.62,12.05,;-11.16,12.05,;-11.93,13.38,;-12.84,14.63,;-14.3,14.15,;-14.3,12.61,;-15.64,11.84,;-12.84,12.13,;-15.39,15.24,;-14.99,16.73,;-16.08,17.82,;-17.57,17.42,;-17.97,15.93,;-19.46,15.53,;-19.86,14.04,;-18.77,12.95,;-17.28,13.35,;-16.88,14.84,;-11.16,14.71,;-9.62,14.71,;-7.52,12.61,;-7.52,11.07,;-6.19,10.3,;-4.85,11.07,;-4.85,12.61,;-6.19,13.38,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3cnccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.67,15.94,;14.67,14.4,;16.17,14.06,;13.39,13.58,;12.62,12.24,;11.08,12.24,;10.31,13.58,;9.4,14.82,;7.94,14.35,;7.94,12.81,;6.6,12.04,;9.4,12.33,;6.85,15.44,;7.25,16.92,;6.16,18.01,;4.67,17.61,;4.27,16.13,;2.78,15.73,;2.39,14.24,;3.47,13.15,;4.96,13.55,;5.36,15.04,;11.08,14.91,;12.62,14.91,;14.72,12.81,;14.72,11.27,;16.05,10.5,;17.39,11.27,;17.39,12.81,;16.05,13.58,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccnc3[nH]ccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.89,4.11,;-9.43,4.11,;-10.2,5.45,;-10.2,2.78,;-10.97,1.44,;-12.51,1.44,;-13.28,2.78,;-14.19,4.02,;-15.65,3.55,;-15.65,2.01,;-16.99,1.24,;-14.19,1.53,;-16.99,4.32,;-18.32,3.55,;-19.66,4.32,;-19.66,5.86,;-18.32,6.63,;-18,8.13,;-16.47,8.3,;-15.84,6.89,;-16.99,5.86,;-12.51,4.11,;-10.97,4.11,;-9.61,1.46,;-10.38,.13,;-9.61,-1.2,;-8.07,-1.2,;-7.3,.13,;-8.07,1.46,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2csc(n2)-c2ccncc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.61,2.61,;15.07,2.61,;14.3,3.94,;14.3,1.27,;13.53,-.06,;11.99,-.06,;11.22,1.27,;10.32,2.52,;8.85,2.04,;8.85,.5,;7.52,-.27,;10.32,.03,;7.52,2.81,;6.11,2.19,;5.08,3.33,;5.85,4.67,;7.36,4.35,;4.76,5.75,;5.16,7.24,;4.07,8.33,;2.58,7.93,;2.19,6.45,;3.27,5.36,;11.99,2.61,;13.53,2.61,;14.89,-.04,;14.12,-1.37,;14.89,-2.71,;16.43,-2.71,;17.2,-1.37,;16.43,-.04,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.65,-25.02,;-6.19,-25.02,;-6.96,-23.69,;-6.96,-26.35,;-7.73,-27.69,;-9.27,-27.69,;-10.04,-26.35,;-10.95,-25.11,;-12.41,-25.58,;-12.41,-27.12,;-13.74,-27.89,;-10.95,-27.6,;-13.74,-24.81,;-13.74,-23.27,;-15.08,-22.5,;-16.41,-23.27,;-16.41,-24.81,;-15.08,-25.58,;-17.75,-22.5,;-18.52,-21.17,;-19.85,-21.94,;-19.08,-23.27,;-9.27,-25.02,;-7.73,-25.02,;-6.19,-27.69,;-6.96,-29.02,;-6.19,-30.36,;-4.65,-30.36,;-3.88,-29.02,;-4.65,-27.69,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CC(F)(F)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.07,-25.53,;17.53,-25.53,;16.76,-24.2,;16.76,-26.86,;15.99,-28.2,;14.45,-28.2,;13.68,-26.86,;12.78,-25.62,;11.31,-26.09,;11.31,-27.63,;9.98,-28.4,;12.78,-28.11,;9.98,-25.32,;9.98,-23.78,;8.64,-23.01,;7.31,-23.78,;7.31,-25.32,;8.64,-26.09,;5.98,-23.01,;5.21,-21.68,;3.87,-22.45,;2.33,-22.45,;2.78,-21.36,;4.64,-23.78,;14.45,-25.53,;15.99,-25.53,;17.53,-28.2,;16.76,-29.53,;17.53,-30.87,;19.07,-30.87,;19.84,-29.53,;19.07,-28.2,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCOCC3)c(c2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.65,21.65,;-5.19,21.65,;-5.96,22.99,;-5.96,20.32,;-6.73,18.99,;-8.27,18.99,;-9.04,20.32,;-9.94,21.57,;-11.41,21.09,;-11.41,19.55,;-12.74,18.78,;-9.94,19.07,;-12.74,21.86,;-14.07,21.09,;-15.41,21.86,;-15.41,23.4,;-16.74,24.17,;-16.74,25.71,;-18.07,26.48,;-19.41,25.71,;-19.41,24.17,;-18.07,23.4,;-14.07,24.17,;-12.74,23.4,;-14.07,25.71,;-12.74,26.48,;-15.41,26.48,;-14.07,27.25,;-8.27,21.65,;-6.73,21.65,;-5.19,18.99,;-5.96,17.65,;-5.19,16.32,;-3.65,16.32,;-2.88,17.65,;-3.65,18.99,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCOCC3)c(c2)C(F)(F)F)CC1)c1ccccc1 |r,wU:5.10,2.1,(18.39,21.65,;16.85,21.65,;16.08,20.32,;15.31,18.99,;13.77,18.99,;13,20.32,;12.1,21.57,;10.63,21.09,;10.63,19.55,;9.3,18.78,;12.1,19.07,;9.3,21.86,;7.97,21.09,;6.63,21.86,;6.63,23.4,;5.3,24.17,;5.3,25.71,;3.97,26.48,;2.63,25.71,;2.63,24.17,;3.97,23.4,;7.97,24.17,;9.3,23.4,;7.97,25.71,;9.3,26.48,;6.63,26.48,;7.97,27.25,;13.77,21.65,;15.31,21.65,;16.85,18.99,;16.08,17.65,;16.85,16.32,;18.39,16.32,;19.16,17.65,;18.39,18.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(OC(F)(F)F)cn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.71,10.88,;-5.25,10.88,;-6.02,12.22,;-6.02,9.55,;-6.79,8.22,;-8.33,8.22,;-9.1,9.55,;-10.01,10.79,;-11.47,10.32,;-11.47,8.78,;-12.81,8.01,;-10.01,8.3,;-12.81,11.09,;-12.81,12.63,;-14.14,13.4,;-15.48,12.63,;-16.81,13.4,;-18.14,12.63,;-18.91,13.96,;-17.37,11.3,;-19.48,11.86,;-15.48,11.09,;-14.14,10.32,;-8.33,10.88,;-6.79,10.88,;-5.25,8.22,;-6.02,6.88,;-5.25,5.55,;-3.71,5.55,;-2.94,6.88,;-3.71,8.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.06,9.9,;15.52,9.9,;14.75,11.24,;14.75,8.57,;13.98,7.23,;12.44,7.23,;11.67,8.57,;10.77,9.81,;9.3,9.34,;9.3,7.8,;7.97,7.03,;10.77,7.32,;7.97,10.11,;7.97,11.65,;6.63,12.42,;5.3,11.65,;5.3,10.11,;6.63,9.34,;3.97,12.42,;2.63,11.65,;3.97,13.96,;2.63,13.19,;12.44,9.9,;13.98,9.9,;15.52,7.23,;14.75,5.9,;15.52,4.57,;17.06,4.57,;17.83,5.9,;17.06,7.23,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5,-1.2,;-6.54,-1.2,;-7.31,.13,;-7.31,-2.53,;-8.08,-3.87,;-9.62,-3.87,;-10.39,-2.53,;-11.29,-1.29,;-12.76,-1.76,;-12.76,-3.3,;-14.09,-4.07,;-11.29,-3.78,;-14.09,-.99,;-14.09,.55,;-15.42,1.32,;-16.76,.55,;-16.76,-.99,;-15.42,-1.76,;-18.09,1.32,;-19.42,2.09,;-9.62,-1.2,;-8.08,-1.2,;-6.54,-3.87,;-7.31,-5.2,;-6.54,-6.53,;-5,-6.53,;-4.23,-5.2,;-5,-3.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-n2cc(nn2)C2CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.17,-6.71,;15.63,-6.71,;14.86,-5.38,;14.86,-8.04,;14.09,-9.38,;12.55,-9.38,;11.78,-8.04,;10.88,-6.8,;9.41,-7.27,;9.41,-8.81,;8.08,-9.58,;10.88,-9.29,;8.32,-6.19,;8.72,-4.7,;7.63,-3.61,;6.14,-4.01,;5.75,-5.5,;6.84,-6.58,;5.06,-2.92,;5.3,-1.4,;3.92,-.7,;2.84,-1.79,;3.53,-3.16,;3.53,.79,;3.92,2.28,;2.44,1.88,;12.55,-6.71,;14.09,-6.71,;15.63,-9.38,;14.86,-10.71,;15.63,-12.05,;17.17,-12.05,;17.94,-10.71,;17.17,-9.38,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCNC(=O)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.64,-21.92,;-6.18,-21.92,;-6.95,-20.58,;-6.95,-23.25,;-7.72,-24.58,;-9.26,-24.58,;-10.03,-23.25,;-10.94,-22,;-12.4,-22.48,;-12.4,-24.02,;-13.74,-24.79,;-10.94,-24.5,;-13.49,-21.39,;-14.98,-21.79,;-16.07,-20.7,;-15.67,-19.21,;-14.18,-18.81,;-13.09,-19.9,;-11.61,-19.5,;-16.76,-18.12,;-18.25,-18.52,;-19.33,-17.43,;-18.94,-15.95,;-17.45,-15.55,;-17.05,-14.06,;-16.36,-16.64,;-9.26,-21.92,;-7.72,-21.92,;-6.18,-24.58,;-6.95,-25.92,;-6.18,-27.25,;-4.64,-27.25,;-3.87,-25.92,;-4.64,-24.58,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(18.05,-18.76,;16.56,-18.36,;16.17,-16.87,;15.48,-19.45,;14.71,-20.78,;13.17,-20.78,;12.4,-19.45,;11.49,-18.2,;10.03,-18.68,;10.03,-20.22,;8.69,-20.99,;11.49,-20.7,;8.69,-17.91,;8.69,-16.37,;7.36,-15.6,;6.02,-16.37,;6.02,-17.91,;7.36,-18.68,;4.69,-15.6,;3.36,-16.37,;4.69,-14.06,;13.17,-18.12,;14.71,-18.12,;16.81,-20.22,;16.81,-21.76,;18.14,-22.53,;19.48,-21.76,;19.48,-20.22,;18.14,-19.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(C)nc2N2CCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7.1,26.43,;-8.64,26.43,;-9.41,27.77,;-9.41,25.1,;-10.18,23.76,;-11.72,23.76,;-12.49,25.1,;-13.39,26.34,;-14.85,25.87,;-14.85,24.33,;-16.19,23.56,;-13.39,23.85,;-16.11,26.61,;-17.44,25.84,;-18.77,26.61,;-18.77,28.15,;-20.11,28.92,;-17.44,28.92,;-16.11,28.15,;-14.77,28.92,;-13.29,28.53,;-12.89,30.01,;-14.37,30.41,;-11.72,26.43,;-10.18,26.43,;-8.64,23.76,;-9.41,22.43,;-8.64,21.1,;-7.1,21.1,;-6.33,22.43,;-7.1,23.76,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(13.89,25.54,;12.4,25.94,;12,27.42,;11.31,24.85,;10.54,23.51,;9,23.51,;8.23,24.85,;7.33,26.09,;5.86,25.62,;5.86,24.08,;4.53,23.31,;7.33,23.6,;4.61,26.36,;3.28,25.59,;1.95,26.36,;1.95,27.9,;3.28,28.67,;4.61,27.9,;5.95,28.67,;7.28,27.9,;5.95,30.21,;9,26.18,;10.54,26.18,;12.65,24.08,;12.65,22.54,;13.98,21.77,;15.32,22.54,;15.32,24.08,;13.98,24.85,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccccc2CS(C)(=O)=O)CC1)c1cccs1 |r,wU:6.11,3.2,(-8.06,13.18,;-9.55,13.58,;-9.95,15.07,;-10.64,12.49,;-11.41,11.16,;-12.95,11.16,;-13.72,12.49,;-14.62,13.74,;-16.09,13.26,;-16.09,11.72,;-17.42,10.95,;-14.62,11.25,;-17.45,13.85,;-18.87,13.25,;-20.09,14.18,;-19.9,15.71,;-18.48,16.31,;-17.25,15.37,;-16.01,16.32,;-16.01,17.86,;-14.67,18.63,;-17.55,17.86,;-16.01,19.4,;-12.95,13.83,;-11.41,13.83,;-9.55,11.4,;-9.79,9.88,;-8.42,9.18,;-7.33,10.27,;-8.03,11.64,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cc(nn2C)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(14.81,13.56,;13.32,13.96,;12.92,15.45,;12.23,12.87,;11.46,11.54,;9.92,11.54,;9.15,12.87,;8.24,14.12,;6.78,13.64,;6.78,12.1,;5.45,11.33,;8.24,11.63,;5.45,14.41,;5.45,15.95,;3.98,16.43,;3.08,15.18,;3.98,13.94,;3.58,12.45,;3.58,17.92,;2.1,18.31,;4.67,19,;3.18,19.4,;9.92,14.21,;11.46,14.21,;13.32,11.78,;12.92,10.3,;14.01,9.21,;15.5,9.61,;15.9,11.09,;17.38,11.49,;14.81,12.18,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1cccs1 |r,wU:6.11,3.2,(-3.93,1.77,;-5.42,2.17,;-5.82,3.66,;-6.51,1.08,;-7.28,-.25,;-8.82,-.25,;-9.59,1.08,;-10.49,2.32,;-11.96,1.85,;-11.96,.31,;-13.29,-.46,;-10.49,-.17,;-13.21,2.6,;-14.54,1.83,;-15.88,2.6,;-15.88,4.14,;-14.54,4.91,;-13.21,4.14,;-11.88,4.91,;-17.21,4.91,;-17.21,6.45,;-18.54,7.22,;-19.88,6.45,;-19.88,4.91,;-18.54,4.14,;-8.82,2.41,;-7.28,2.41,;-5.42,-.01,;-5.66,-1.53,;-4.29,-2.23,;-3.2,-1.14,;-3.9,.23,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.51,2.98,;14.97,2.98,;14.2,4.32,;14.2,1.65,;13.43,.31,;11.89,.31,;11.12,1.65,;10.21,2.89,;8.75,2.42,;8.75,.88,;7.42,.11,;10.21,.4,;7.5,3.16,;7.5,4.7,;6.17,5.47,;4.83,4.7,;4.83,3.16,;6.17,2.39,;3.5,5.47,;2.16,4.7,;3.5,7.01,;2.16,6.24,;11.89,2.98,;13.43,2.98,;14.97,.31,;14.2,-1.02,;14.97,-2.35,;16.51,-2.35,;17.28,-1.02,;16.51,.31,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc3[nH]ccc3c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.58,-8,;-8.12,-8,;-8.89,-6.67,;-8.89,-9.34,;-9.66,-10.67,;-11.2,-10.67,;-11.97,-9.34,;-12.88,-8.09,;-14.34,-8.57,;-14.34,-10.11,;-15.68,-10.88,;-12.88,-10.58,;-15.59,-7.82,;-16.93,-8.59,;-18.26,-7.82,;-18.26,-6.28,;-19.41,-5.25,;-18.78,-3.84,;-17.25,-4,;-16.93,-5.51,;-15.59,-6.28,;-11.2,-8,;-9.66,-8,;-8.12,-10.67,;-8.89,-12,;-8.12,-13.34,;-6.58,-13.34,;-5.81,-12,;-6.58,-10.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(NC(C)=O)nc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.24,-11.06,;13.75,-10.66,;13.35,-9.17,;12.66,-11.75,;11.89,-13.08,;10.35,-13.08,;9.58,-11.75,;8.67,-10.5,;7.21,-10.98,;7.21,-12.52,;5.88,-13.29,;8.67,-12.99,;6.12,-9.89,;6.52,-8.4,;5.43,-7.31,;3.94,-7.71,;2.85,-6.62,;3.25,-5.13,;4.74,-4.74,;2.16,-4.05,;3.54,-9.2,;4.63,-10.29,;10.35,-10.41,;11.89,-10.41,;13.75,-12.84,;13.35,-14.32,;14.44,-15.41,;15.93,-15.01,;16.33,-13.53,;15.24,-12.44,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N2CCOCC2)CC1)c1cccs1 |r,wU:6.11,3.2,(17.83,25.15,;16.34,25.55,;15.94,27.04,;15.25,24.46,;14.48,23.13,;12.94,23.13,;12.17,24.46,;11.27,25.71,;9.8,25.23,;9.8,23.69,;8.47,22.92,;11.27,23.22,;8.55,25.98,;8.55,27.52,;7.22,28.29,;5.88,27.52,;5.88,25.98,;7.22,25.21,;4.55,28.29,;4.55,29.83,;3.21,30.6,;1.88,29.83,;1.88,28.29,;3.21,27.52,;12.94,25.8,;14.48,25.8,;16.34,23.37,;16.1,21.85,;17.47,21.15,;18.56,22.24,;17.86,23.62,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.82,14.17,;-6.31,14.57,;-6.71,16.06,;-7.4,13.48,;-8.17,12.15,;-9.71,12.15,;-10.48,13.48,;-11.38,14.72,;-12.85,14.25,;-12.85,12.71,;-14.18,11.94,;-11.38,12.23,;-14.1,14.99,;-14.1,16.53,;-15.43,17.3,;-16.77,16.53,;-16.77,14.99,;-15.43,14.22,;-18.1,17.3,;-19.44,16.53,;-18.1,18.84,;-9.71,14.81,;-8.17,14.81,;-6.07,12.71,;-6.07,11.17,;-4.73,10.4,;-3.4,11.17,;-3.4,12.71,;-4.73,13.48,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cc(nn2C)C(F)(F)F)CC1)c1cccs1 |r,wU:6.11,3.2,(14.44,13.03,;12.95,13.43,;12.55,14.92,;11.86,12.34,;11.09,11.01,;9.55,11.01,;8.78,12.34,;7.88,13.59,;6.41,13.11,;6.41,11.57,;5.08,10.8,;7.88,11.1,;5.16,13.86,;5.16,15.4,;3.7,15.87,;2.79,14.63,;3.7,13.38,;3.3,11.9,;3.3,17.36,;1.81,17.76,;4.39,18.45,;2.9,18.85,;9.55,13.68,;11.09,13.68,;13.2,11.57,;12.72,10.11,;13.97,9.2,;15.21,10.11,;14.74,11.57,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)CCO)CC1)c1cccs1 |r,wU:6.11,3.2,(-4.21,2.26,;-5.7,2.66,;-6.1,4.15,;-6.79,1.57,;-7.56,.24,;-9.1,.24,;-9.87,1.57,;-10.78,2.82,;-12.24,2.34,;-12.24,.8,;-13.57,.03,;-10.78,.33,;-13.49,3.09,;-13.49,4.63,;-14.83,5.4,;-16.16,4.63,;-16.16,3.09,;-14.83,2.32,;-17.49,5.4,;-17.49,6.94,;-18.83,4.63,;-20.16,5.4,;-20.16,6.94,;-9.1,2.91,;-7.56,2.91,;-5.7,.48,;-5.94,-1.04,;-4.57,-1.74,;-3.48,-.65,;-4.18,.72,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3NC(=O)Cc23)CC1)c1cccs1 |r,wU:6.11,3.2,(19.44,1.69,;17.96,2.09,;17.56,3.58,;16.87,1,;16.1,-.33,;14.56,-.33,;13.79,1,;12.88,2.25,;11.42,1.77,;11.42,.23,;10.08,-.54,;12.88,-.24,;10.17,2.52,;10.17,4.06,;8.83,4.83,;7.5,4.06,;7.5,2.52,;8.83,1.75,;6.16,4.83,;6.16,6.37,;4.83,7.14,;3.5,6.37,;3.5,4.83,;2.35,3.8,;2.98,2.39,;2.21,1.06,;4.51,2.55,;4.83,4.06,;14.56,2.34,;16.1,2.34,;17.96,-.09,;17.72,-1.61,;19.09,-2.31,;20.18,-1.22,;19.48,.15,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)N2CCNC(=O)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.39,-12.32,;-6.93,-12.32,;-7.7,-10.98,;-7.7,-13.65,;-8.47,-14.98,;-10.01,-14.98,;-10.78,-13.65,;-11.69,-12.4,;-13.15,-12.88,;-13.15,-14.42,;-14.49,-15.19,;-11.69,-14.9,;-14.24,-11.79,;-15.73,-12.19,;-16.82,-11.1,;-16.42,-9.61,;-14.93,-9.21,;-13.84,-10.3,;-12.36,-9.9,;-17.51,-8.52,;-19,-8.92,;-20.09,-7.83,;-19.69,-6.35,;-18.2,-5.95,;-17.8,-4.46,;-17.11,-7.04,;-10.01,-12.32,;-8.47,-12.32,;-6.93,-14.98,;-7.7,-16.32,;-6.93,-17.65,;-5.39,-17.65,;-4.62,-16.32,;-5.39,-14.98,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)-c2ccccn2)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.58,-6.43,;16.06,-6.69,;15.07,-5.51,;15.53,-8.14,;15,-9.58,;13.48,-9.84,;12.49,-8.66,;11.39,-7.58,;10.03,-8.3,;10.29,-9.82,;9.1,-10.81,;11.81,-10.04,;8.54,-7.87,;7.45,-8.95,;5.97,-8.56,;5.57,-7.07,;6.66,-5.98,;8.14,-6.38,;9.23,-5.29,;4.33,-6.57,;3,-7.34,;1.66,-6.57,;1.66,-5.03,;3,-4.26,;4.33,-5.03,;13.02,-7.21,;14.54,-6.95,;16.51,-9.32,;15.98,-10.76,;16.97,-11.95,;18.48,-11.69,;19.02,-10.24,;18.03,-9.06,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccc2S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-8.75,-25.26,;-10.29,-25.26,;-11.06,-23.93,;-11.06,-26.6,;-11.83,-27.93,;-13.37,-27.93,;-14.14,-26.6,;-15.05,-25.35,;-16.51,-25.83,;-16.51,-27.37,;-17.84,-28.14,;-15.05,-27.84,;-17.6,-24.74,;-19.09,-25.14,;-20.18,-24.05,;-19.78,-22.56,;-18.29,-22.16,;-17.2,-23.25,;-15.87,-22.48,;-14.53,-23.25,;-15.1,-21.15,;-16.64,-21.15,;-13.37,-25.26,;-11.83,-25.26,;-10.29,-27.93,;-11.06,-29.27,;-10.29,-30.6,;-8.75,-30.6,;-7.98,-29.27,;-8.75,-27.93,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3ncsc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.93,-24.69,;13.44,-24.29,;13.44,-22.75,;12.35,-25.38,;11.58,-26.72,;10.04,-26.72,;9.27,-25.38,;8.37,-24.14,;6.9,-24.61,;6.9,-26.15,;5.57,-26.92,;8.37,-26.63,;5.81,-23.52,;6.21,-22.04,;5.12,-20.95,;3.64,-21.34,;3.24,-22.83,;1.87,-23.53,;2.11,-25.05,;3.63,-25.29,;4.33,-23.92,;10.04,-24.05,;11.58,-24.05,;13.69,-26.15,;13.69,-27.69,;15.02,-28.46,;16.35,-27.69,;16.35,-26.15,;15.02,-25.38,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1ccc(F)cc1 |r,wU:6.11,3.2,(-2.27,22.23,;-3.75,22.63,;-4.15,24.12,;-4.84,21.54,;-5.61,20.21,;-7.15,20.21,;-7.92,21.54,;-8.83,22.79,;-10.29,22.31,;-10.29,20.77,;-11.63,20,;-8.83,20.3,;-11.54,23.06,;-12.88,22.29,;-14.21,23.06,;-14.21,24.6,;-12.88,25.37,;-11.54,24.6,;-10.21,25.37,;-15.54,25.37,;-15.54,26.91,;-16.88,27.68,;-18.21,26.91,;-18.21,25.37,;-16.88,24.6,;-7.15,22.88,;-5.61,22.88,;-3.75,20.46,;-4.15,18.97,;-3.06,17.88,;-1.57,18.28,;-.49,17.19,;-1.18,19.77,;-2.27,20.85,)|
CN(C)C(=O)CN1C(=O)N(C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1)c1cnc(cc1C)C(F)(F)F |r,wU:11.11,14.18,(11.87,15.56,;10.38,15.96,;9.29,14.87,;9.98,17.45,;8.49,17.85,;11.07,18.54,;10.67,20.02,;9.21,20.5,;7.87,19.73,;9.21,22.04,;10.67,22.52,;11.58,21.27,;12.35,19.94,;13.89,19.94,;14.66,21.27,;13.89,22.6,;12.35,22.6,;15.43,22.6,;16.97,22.6,;14.66,23.94,;15.43,19.94,;14.66,18.6,;15.43,17.27,;16.97,17.27,;17.74,18.6,;16.97,19.94,;8.12,23.13,;6.63,22.73,;5.54,23.82,;5.94,25.31,;7.43,25.71,;8.52,24.62,;10,25.01,;4.85,26.4,;5.94,27.48,;3.76,25.31,;3.76,27.48,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3C(=O)N(C)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-.47,4.5,;-1.95,4.9,;-2.35,6.38,;-3.04,3.81,;-3.81,2.47,;-5.35,2.47,;-6.12,3.81,;-7.03,5.05,;-8.49,4.58,;-8.49,3.04,;-9.83,2.27,;-7.03,2.56,;-9.51,5.62,;-9.11,7.11,;-10.2,8.2,;-11.69,7.8,;-12.08,6.31,;-11,5.22,;-12.77,8.89,;-12.38,10.38,;-13.47,11.47,;-14.95,11.07,;-15.35,9.58,;-16.72,8.88,;-18.21,9.28,;-16.48,7.36,;-17.25,6.03,;-14.96,7.12,;-14.26,8.49,;-5.35,5.14,;-3.81,5.14,;-1.95,2.72,;-2.35,1.23,;-1.26,.14,;.22,.54,;.62,2.03,;-.47,3.12,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(C)nc2NCC(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.01,5.31,;15.52,5.7,;15.13,7.19,;14.44,4.61,;13.81,3.21,;12.28,3.05,;11.37,4.29,;10.34,5.44,;8.93,4.81,;9.1,3.28,;8.01,2.19,;10.6,2.96,;7.6,5.58,;6.27,4.81,;4.93,5.58,;4.93,7.12,;3.6,7.89,;6.27,7.89,;7.6,7.12,;8.93,7.89,;9.33,9.38,;10.82,9.78,;11.91,8.69,;11.22,11.26,;12,5.7,;13.53,5.86,;15.77,3.84,;15.77,2.3,;17.1,1.53,;18.44,2.3,;18.44,3.84,;17.1,4.61,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccc2CC(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.8,-6.97,;-8.34,-6.97,;-9.11,-5.64,;-9.11,-8.31,;-9.88,-9.64,;-11.42,-9.64,;-12.19,-8.31,;-13.1,-7.06,;-14.56,-7.54,;-14.56,-9.08,;-15.9,-9.85,;-13.1,-9.55,;-15.65,-6.45,;-17.14,-6.84,;-18.23,-5.76,;-17.83,-4.27,;-16.34,-3.87,;-15.25,-4.96,;-13.76,-4.56,;-13.76,-3.02,;-12.43,-2.25,;-15.1,-2.25,;-11.42,-6.97,;-9.88,-6.97,;-8.34,-9.64,;-9.11,-10.97,;-8.34,-12.31,;-6.8,-12.31,;-6.03,-10.97,;-6.8,-9.64,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccc2CS(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.24,-7.48,;13.7,-7.48,;12.93,-6.15,;12.93,-8.82,;12.16,-10.15,;10.62,-10.15,;9.85,-8.82,;8.94,-7.57,;7.48,-8.05,;7.48,-9.59,;6.15,-10.36,;8.94,-10.06,;6.39,-6.96,;4.9,-7.36,;3.81,-6.27,;4.21,-4.78,;5.7,-4.38,;6.79,-5.47,;8.28,-5.07,;8.68,-3.58,;10.16,-3.19,;7.19,-3.98,;7.91,-2.25,;10.62,-7.48,;12.16,-7.48,;13.7,-10.15,;12.93,-11.48,;13.7,-12.82,;15.24,-12.82,;16.01,-11.48,;15.24,-10.15,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)N2CCN(C)C(=O)C2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.05,-22.35,;-4.59,-22.35,;-5.36,-21.01,;-5.36,-23.68,;-6.13,-25.01,;-7.67,-25.01,;-8.44,-23.68,;-9.35,-22.43,;-10.81,-22.91,;-10.81,-24.45,;-12.15,-25.22,;-9.35,-24.93,;-11.9,-21.82,;-11.5,-20.33,;-12.59,-19.24,;-14.08,-19.64,;-14.48,-21.13,;-13.39,-22.22,;-15.17,-18.55,;-16.66,-18.95,;-17.75,-17.86,;-17.35,-16.38,;-18.44,-15.29,;-15.86,-15.98,;-15.46,-14.49,;-14.77,-17.07,;-7.67,-22.35,;-6.13,-22.35,;-4.59,-25.01,;-5.36,-26.35,;-4.59,-27.68,;-3.05,-27.68,;-2.28,-26.35,;-3.05,-25.01,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(C)nc2C)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.72,-18.07,;14.18,-18.07,;13.41,-16.74,;13.41,-19.4,;12.64,-20.74,;11.1,-20.74,;10.33,-19.4,;9.43,-18.16,;7.96,-18.63,;7.96,-20.17,;6.63,-20.94,;9.43,-20.65,;6.87,-17.54,;5.38,-17.94,;4.3,-16.85,;4.69,-15.37,;3.61,-14.28,;6.18,-14.97,;7.27,-16.06,;8.76,-15.66,;11.1,-18.07,;12.64,-18.07,;14.18,-20.74,;13.41,-22.07,;14.18,-23.4,;15.72,-23.4,;16.49,-22.07,;15.72,-20.74,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3C(=O)NCc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-1.54,-1.31,;-3.03,-.91,;-3.43,.58,;-4.12,-2,;-4.89,-3.33,;-6.43,-3.33,;-7.2,-2,;-8.1,-.75,;-9.57,-1.23,;-9.57,-2.77,;-10.9,-3.54,;-8.1,-3.24,;-10.58,-.18,;-10.19,1.31,;-11.27,2.39,;-12.76,2,;-13.16,.51,;-12.07,-.58,;-13.85,3.09,;-13.45,4.57,;-14.54,5.66,;-16.03,5.26,;-16.43,3.78,;-17.8,3.08,;-19.29,3.47,;-17.56,1.56,;-16.04,1.31,;-15.34,2.69,;-6.43,-.66,;-4.89,-.66,;-3.03,-3.09,;-3.43,-4.57,;-2.34,-5.66,;-.85,-5.26,;-.45,-3.78,;-1.54,-2.69,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N(C)CCO)c(c2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(18.52,,;16.98,,;16.21,1.33,;16.21,-1.33,;15.44,-2.67,;13.9,-2.67,;13.13,-1.33,;12.22,-.09,;10.76,-.56,;10.76,-2.1,;9.42,-2.87,;12.22,-2.58,;9.42,.21,;8.09,-.56,;6.76,.21,;6.76,1.75,;5.42,2.52,;5.42,4.06,;4.09,1.75,;2.75,2.52,;2.75,4.06,;8.09,2.52,;9.42,1.75,;8.09,4.06,;6.55,4.06,;8.09,5.6,;9.63,4.06,;13.9,,;15.44,,;16.98,-2.67,;16.21,-4,;16.98,-5.33,;18.52,-5.33,;19.29,-4,;18.52,-2.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-n2cc(nn2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-2.86,22.84,;-4.34,23.24,;-4.74,24.73,;-5.43,22.15,;-6.2,20.82,;-7.74,20.82,;-8.51,22.15,;-9.42,23.4,;-10.88,22.92,;-10.88,21.38,;-12.22,20.61,;-9.42,20.9,;-12.12,23.74,;-12.12,25.28,;-13.46,26.05,;-14.79,25.28,;-14.79,23.74,;-13.46,22.97,;-16.12,26.05,;-16.28,27.58,;-17.79,27.9,;-18.56,26.57,;-17.53,25.42,;-18.56,29.24,;-17.79,30.57,;-17.02,29.24,;-20.1,29.24,;-7.74,23.48,;-6.2,23.48,;-4.34,21.06,;-4.74,19.57,;-3.65,18.49,;-2.16,18.88,;-1.77,20.37,;-2.86,21.46,)|
CC(C)c1cn(nn1)-c1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:16.34,19.24,(1.77,29.45,;3.31,29.45,;4.08,30.78,;4.08,28.11,;5.58,27.79,;5.74,26.26,;4.34,25.64,;3.31,26.78,;7.08,25.49,;8.41,26.26,;9.74,25.49,;9.74,23.95,;8.41,23.18,;7.08,23.95,;10.99,23.13,;12.45,23.61,;13.36,22.36,;14.13,21.03,;15.67,21.03,;16.44,22.36,;15.67,23.7,;14.13,23.7,;17.52,23.45,;19.01,23.05,;17.13,24.94,;17.52,21.27,;17.13,19.79,;18.22,18.7,;19.7,19.1,;20.1,20.58,;19.01,21.67,;12.45,21.12,;10.99,21.59,;9.65,20.82,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)N2CCS(=O)(=O)CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.88,9.68,;-5.42,9.68,;-6.19,11.01,;-6.19,8.34,;-6.96,7.01,;-8.5,7.01,;-9.27,8.34,;-10.18,9.59,;-11.64,9.11,;-11.64,7.57,;-12.98,6.8,;-10.18,7.1,;-12.76,10.13,;-12.53,11.66,;-13.74,12.61,;-15.17,12.04,;-15.4,10.52,;-14.19,9.56,;-16.31,13.06,;-15.92,14.55,;-17.01,15.64,;-18.49,15.24,;-18.49,16.78,;-20.03,15.24,;-18.89,13.75,;-17.8,12.66,;-8.5,9.68,;-6.96,9.68,;-5.42,7.01,;-6.19,5.68,;-5.42,4.34,;-3.88,4.34,;-3.11,5.68,;-3.88,7.01,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCOCC3)c(c2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.68,11.14,;16.14,11.14,;15.37,12.47,;15.37,9.81,;14.6,8.47,;13.06,8.47,;12.29,9.81,;11.38,11.05,;9.92,10.58,;9.92,9.04,;8.58,8.27,;11.38,8.56,;8.68,11.39,;7.34,10.62,;6.01,11.39,;6.01,12.93,;4.68,13.7,;4.68,15.24,;3.34,16.01,;2.01,15.24,;2.01,13.7,;3.34,12.93,;7.34,13.7,;8.68,12.93,;7.34,15.24,;7.34,16.78,;13.06,11.14,;14.6,11.14,;16.14,8.47,;15.37,7.14,;16.14,5.8,;17.68,5.8,;18.45,7.14,;17.68,8.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc3n(ccc3c2)S(C)(=O)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.55,-1.56,;-6.09,-1.56,;-6.86,-.22,;-6.86,-2.89,;-7.63,-4.22,;-9.17,-4.22,;-9.94,-2.89,;-10.85,-1.64,;-12.31,-2.12,;-12.31,-3.66,;-13.65,-4.43,;-10.85,-4.14,;-13.55,-1.3,;-14.89,-2.07,;-16.22,-1.3,;-16.22,.24,;-17.37,1.27,;-16.74,2.68,;-15.21,2.52,;-14.89,1.01,;-13.55,.24,;-18.7,.5,;-17.93,-.83,;-20.03,-.27,;-19.47,1.83,;-9.17,-1.56,;-7.63,-1.56,;-6.09,-4.22,;-6.86,-5.56,;-6.09,-6.89,;-4.55,-6.89,;-3.78,-5.56,;-4.55,-4.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3[nH]ccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.54,-1.07,;14.06,-.67,;14.06,.87,;12.97,-1.76,;12.2,-3.09,;10.66,-3.09,;9.89,-1.76,;8.98,-.51,;7.52,-.99,;7.52,-2.53,;6.18,-3.3,;8.98,-3.01,;6.43,.1,;6.83,1.59,;5.74,2.68,;4.25,2.28,;3.85,.79,;2.48,.09,;2.72,-1.43,;4.24,-1.67,;4.94,-.3,;10.66,-.43,;12.2,-.43,;14.3,-2.53,;14.3,-4.07,;15.64,-4.84,;16.97,-4.07,;16.97,-2.53,;15.64,-1.76,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3nc(O)oc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.81,-12.76,;-7.3,-12.36,;-7.3,-10.82,;-8.39,-13.45,;-9.16,-14.78,;-10.7,-14.78,;-11.47,-13.45,;-12.38,-12.2,;-13.84,-12.68,;-13.84,-14.22,;-15.17,-14.99,;-12.38,-14.69,;-14.93,-11.59,;-14.53,-10.1,;-15.62,-9.01,;-17.11,-9.41,;-17.51,-10.9,;-18.88,-11.6,;-18.64,-13.12,;-19.54,-14.21,;-17.12,-13.36,;-16.42,-11.99,;-10.7,-12.11,;-9.16,-12.11,;-7.06,-14.22,;-7.06,-15.76,;-5.72,-16.53,;-4.39,-15.76,;-4.39,-14.22,;-5.72,-13.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(OC(F)(F)F)cc2F)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.61,-12.34,;16.07,-12.34,;15.3,-11,;15.3,-13.67,;14.53,-15.01,;12.99,-15.01,;12.22,-13.67,;11.31,-12.43,;9.85,-12.9,;9.85,-14.44,;8.52,-15.21,;11.31,-14.92,;8.61,-12.08,;7.27,-12.85,;5.94,-12.08,;5.94,-10.54,;4.61,-9.77,;3.27,-10.54,;2.5,-9.21,;4.04,-11.88,;1.94,-11.31,;7.27,-9.77,;8.61,-10.54,;9.94,-9.77,;12.99,-12.34,;14.53,-12.34,;16.07,-15.01,;15.3,-16.34,;16.07,-17.67,;17.61,-17.67,;18.38,-16.34,;17.61,-15.01,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2ccc(cc2)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.44,-28.17,;-4.04,-29.66,;-2.56,-30.06,;-5.13,-30.75,;-5.68,-32.18,;-7.21,-32.43,;-8.17,-31.23,;-9.26,-30.14,;-10.64,-30.84,;-10.4,-32.36,;-11.48,-33.45,;-8.87,-32.6,;-11.97,-30.07,;-11.97,-28.53,;-13.3,-27.76,;-14.64,-28.53,;-14.64,-30.07,;-13.3,-30.84,;-15.97,-27.76,;-15.97,-26.22,;-17.3,-25.45,;-18.64,-26.22,;-18.64,-27.76,;-17.3,-28.53,;-19.97,-25.45,;-21.31,-26.22,;-19.97,-23.91,;-7.62,-29.79,;-6.1,-29.55,;-3.8,-31.52,;-3.8,-33.06,;-2.47,-33.83,;-1.13,-33.06,;-1.13,-31.52,;-2.47,-30.75,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccncc2C)CC1)c1ccccc1 |r,wU:6.11,3.2,(13.66,-25.45,;12.12,-25.45,;11.35,-24.11,;11.35,-26.78,;10.58,-28.11,;9.04,-28.11,;8.27,-26.78,;7.37,-25.53,;5.9,-26.01,;5.9,-27.55,;4.57,-28.32,;7.37,-28.03,;4.66,-25.19,;3.33,-25.96,;1.99,-25.19,;1.99,-23.65,;3.33,-22.88,;4.66,-23.65,;5.8,-22.62,;9.04,-25.45,;10.58,-25.45,;12.12,-28.11,;11.35,-29.45,;12.12,-30.78,;13.66,-30.78,;14.43,-29.45,;13.66,-28.11,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3n(ccc23)C(C)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.83,28.22,;-5.31,28.62,;-5.31,30.16,;-6.4,27.53,;-7.17,26.2,;-8.71,26.2,;-9.48,27.53,;-10.39,28.78,;-11.85,28.3,;-11.85,26.76,;-13.19,25.99,;-10.39,26.29,;-12.94,29.39,;-12.54,30.88,;-13.63,31.97,;-15.12,31.57,;-15.52,30.08,;-16.89,29.38,;-16.65,27.86,;-15.13,27.62,;-14.43,28.99,;-18.22,30.15,;-19.56,29.38,;-18.22,31.69,;-8.71,28.87,;-7.17,28.87,;-5.07,26.76,;-5.07,25.22,;-3.74,24.45,;-2.4,25.22,;-2.4,26.76,;-3.74,27.53,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2c[nH]c3ccccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.39,28.39,;14.9,28.79,;14.9,30.33,;13.81,27.7,;13.04,26.37,;11.5,26.37,;10.73,27.7,;9.83,28.95,;8.36,28.47,;8.36,26.93,;7.03,26.16,;9.83,26.45,;7.03,29.24,;7.03,30.78,;5.56,31.26,;4.66,30.01,;3.13,29.85,;2.5,28.44,;3.4,27.2,;4.94,27.36,;5.56,28.76,;11.5,29.03,;13.04,29.03,;15.14,26.93,;15.14,25.39,;16.48,24.62,;17.81,25.39,;17.81,26.93,;16.48,27.7,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2C)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.01,18.38,;-6.55,18.38,;-7.32,19.71,;-7.32,17.04,;-8.09,15.71,;-9.63,15.71,;-10.4,17.04,;-11.3,18.29,;-12.77,17.81,;-12.77,16.27,;-14.1,15.5,;-11.3,15.8,;-14.01,18.63,;-15.34,17.86,;-16.68,18.63,;-16.68,20.17,;-15.34,20.94,;-14.01,20.17,;-12.68,20.94,;-18.01,20.94,;-19.34,21.71,;-9.63,18.38,;-8.09,18.38,;-6.55,15.71,;-7.32,14.38,;-6.55,13.04,;-5.01,13.04,;-4.24,14.38,;-5.01,15.71,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2F)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.03,18.38,;15.49,18.38,;14.72,19.71,;14.72,17.04,;13.95,15.71,;12.41,15.71,;11.64,17.04,;10.74,18.29,;9.27,17.81,;9.27,16.27,;7.94,15.5,;10.74,15.8,;8.03,18.63,;6.7,17.86,;5.37,18.63,;5.37,20.17,;6.7,20.94,;8.03,20.17,;9.37,20.94,;4.03,20.94,;2.7,21.71,;12.41,18.38,;13.95,18.38,;15.49,15.71,;14.72,14.38,;15.49,13.04,;17.03,13.04,;17.8,14.38,;17.03,15.71,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC(=O)N2CCCC2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.36,5.81,;-7.9,5.81,;-8.67,7.14,;-8.67,4.48,;-9.44,3.14,;-10.98,3.14,;-11.75,4.48,;-12.65,5.72,;-14.11,5.25,;-14.11,3.71,;-15.45,2.94,;-12.65,3.23,;-12.25,1.74,;-13.34,.65,;-14.83,1.05,;-12.94,-.83,;-13.91,-2.03,;-13.07,-3.32,;-11.58,-2.92,;-11.5,-1.39,;-15.04,6.15,;-16.53,5.76,;-17.62,6.85,;-17.22,8.33,;-15.73,8.73,;-14.64,7.64,;-13.15,8.04,;-18.31,9.42,;-19.4,10.51,;-19.4,8.33,;-17.22,10.51,;-10.98,5.81,;-9.44,5.81,;-7.9,3.14,;-8.67,1.81,;-7.9,.47,;-6.36,.47,;-5.59,1.81,;-6.36,3.14,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2C)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(18.13,5.81,;16.65,6.2,;16.65,7.74,;15.56,5.12,;14.79,3.78,;13.25,3.78,;12.48,5.12,;11.57,6.36,;10.11,5.89,;10.11,4.35,;8.77,3.58,;11.57,3.87,;8.77,6.66,;7.44,5.89,;6.11,6.66,;6.11,8.2,;7.44,8.97,;8.77,8.2,;10.11,8.97,;4.77,8.97,;3.44,8.2,;4.77,10.51,;13.25,6.45,;14.79,6.45,;16.89,4.35,;16.89,2.81,;18.22,2.04,;19.56,2.81,;19.56,4.35,;18.22,5.12,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2F)C(N)=O)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.91,-10.03,;-5.4,-9.63,;-5.4,-8.09,;-6.48,-10.72,;-7.25,-12.05,;-8.79,-12.05,;-9.56,-10.72,;-10.47,-9.47,;-11.93,-9.95,;-11.93,-11.49,;-13.27,-12.26,;-10.47,-11.97,;-13.27,-9.18,;-14.6,-9.95,;-15.94,-9.18,;-15.94,-7.64,;-14.6,-6.87,;-13.27,-7.64,;-11.93,-6.87,;-17.27,-6.87,;-18.6,-7.64,;-17.27,-5.33,;-8.79,-9.39,;-7.25,-9.39,;-5.15,-11.49,;-5.15,-13.03,;-3.82,-13.8,;-2.48,-13.03,;-2.48,-11.49,;-3.82,-10.72,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(C)c1 |r,wU:6.11,3.2,(15.69,-10.03,;14.15,-10.03,;13.38,-8.69,;13.38,-11.36,;12.61,-12.69,;11.07,-12.69,;10.3,-11.36,;9.39,-10.11,;7.93,-10.59,;7.93,-12.13,;6.59,-12.9,;9.39,-12.61,;7,-9.68,;5.51,-10.08,;4.42,-8.99,;4.82,-7.5,;6.31,-7.1,;7.4,-8.19,;8.89,-7.8,;3.73,-6.41,;2.65,-5.33,;2.65,-7.5,;4.82,-5.33,;11.07,-10.03,;12.61,-10.03,;14.15,-12.69,;13.38,-14.03,;14.15,-15.36,;15.69,-15.36,;16.46,-14.03,;18,-14.03,;15.69,-12.69,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-8.08,-20.94,;-9.62,-20.94,;-10.39,-19.61,;-10.39,-22.28,;-11.16,-23.61,;-12.7,-23.61,;-13.47,-22.28,;-14.38,-21.03,;-15.84,-21.51,;-15.84,-23.05,;-17.18,-23.82,;-14.38,-23.52,;-16.77,-20.6,;-18.25,-21,;-19.34,-19.91,;-18.94,-18.42,;-17.46,-18.02,;-16.37,-19.11,;-14.88,-18.71,;-13.39,-18.31,;-12.7,-20.94,;-11.16,-20.94,;-9.62,-23.61,;-10.39,-24.95,;-9.62,-26.28,;-8.08,-26.28,;-7.31,-24.95,;-8.08,-23.61,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2F)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(17.03,-26.63,;15.49,-26.63,;14.72,-25.3,;14.72,-27.97,;13.95,-29.3,;12.41,-29.3,;11.64,-27.97,;10.73,-26.72,;9.27,-27.2,;9.27,-28.74,;7.93,-29.51,;10.73,-29.21,;8.34,-26.29,;6.85,-26.69,;5.77,-25.6,;6.16,-24.11,;7.65,-23.71,;8.74,-24.8,;10.23,-24.4,;5.07,-23.02,;3.59,-23.42,;2.5,-22.33,;2.9,-20.84,;4.38,-20.45,;5.08,-19.07,;6.6,-19.31,;7.69,-18.22,;6.85,-20.83,;5.47,-21.53,;12.41,-26.63,;13.95,-26.63,;15.49,-29.3,;14.72,-30.63,;15.49,-31.97,;17.03,-31.97,;17.8,-30.63,;17.03,-29.3,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(OC(F)(F)F)c1 |r,wU:6.11,3.2,(-6.58,26.9,;-8.12,26.9,;-8.89,28.23,;-8.89,25.56,;-9.66,24.23,;-11.2,24.23,;-11.97,25.56,;-12.88,26.81,;-14.34,26.33,;-14.34,24.79,;-15.68,24.02,;-12.88,24.32,;-15.27,27.24,;-16.75,26.85,;-17.84,27.93,;-17.44,29.42,;-15.96,29.82,;-14.87,28.73,;-13.38,29.13,;-18.53,30.51,;-19.62,31.6,;-19.62,29.42,;-17.44,31.6,;-11.2,26.9,;-9.66,26.9,;-7.8,24.48,;-8.2,22.99,;-7.11,21.9,;-5.62,22.3,;-5.23,23.79,;-3.74,24.18,;-2.65,23.1,;-1.32,23.87,;-3.42,21.76,;-1.56,22.01,;-6.32,24.87,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(c1)C(F)(F)F |r,wU:6.11,3.2,(15.46,26.9,;13.92,26.9,;13.15,28.23,;13.15,25.56,;12.38,24.23,;10.84,24.23,;10.07,25.56,;9.16,26.81,;7.7,26.33,;7.7,24.79,;6.37,24.02,;9.16,24.32,;6.77,27.24,;5.29,26.85,;4.2,27.93,;4.6,29.42,;6.08,29.82,;7.17,28.73,;8.66,29.13,;3.51,30.51,;2.42,31.6,;2.42,29.42,;4.6,31.6,;10.84,26.9,;12.38,26.9,;14.24,24.48,;13.84,22.99,;14.93,21.9,;16.42,22.3,;16.82,23.79,;15.73,24.87,;18.3,24.18,;18.7,25.67,;19.39,23.1,;19.79,24.58,)|
COc1cccc(c1)[C@@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)N(C)C |r,wU:11.17,8.33,(-2.65,10.06,;-3.74,11.15,;-5.23,10.75,;-5.62,9.26,;-7.11,8.86,;-8.2,9.95,;-7.8,11.44,;-6.32,11.84,;-8.89,12.53,;-9.66,11.19,;-11.2,11.19,;-11.97,12.53,;-12.88,13.77,;-14.34,13.3,;-14.34,11.76,;-15.68,10.99,;-12.88,11.28,;-15.27,14.21,;-16.75,13.81,;-17.84,14.9,;-17.44,16.38,;-15.96,16.78,;-14.87,15.69,;-13.38,16.09,;-18.53,17.47,;-19.62,18.56,;-19.62,16.38,;-17.44,18.56,;-11.2,13.86,;-9.66,13.86,;-8.12,13.86,;-6.58,13.86,;-8.89,15.19,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1ccc(Cl)s1 |r,wU:6.11,3.2,(15.46,13.86,;13.92,13.86,;13.15,15.19,;13.15,12.53,;12.38,11.19,;10.84,11.19,;10.07,12.53,;9.16,13.77,;7.7,13.3,;7.7,11.76,;6.37,10.99,;9.16,11.28,;6.77,14.21,;5.29,13.81,;4.2,14.9,;4.6,16.38,;6.08,16.78,;7.17,15.69,;8.66,16.09,;3.51,17.47,;2.42,18.56,;2.42,16.38,;4.6,18.56,;10.84,13.86,;12.38,13.86,;14.24,11.44,;14,9.92,;15.37,9.22,;16.46,10.31,;18,10.31,;15.76,11.68,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-6.58,2.36,;-8.12,2.36,;-8.89,3.69,;-8.89,1.02,;-9.66,-.31,;-11.2,-.31,;-11.97,1.02,;-12.88,2.27,;-14.34,1.79,;-14.34,.25,;-15.68,-.52,;-12.88,-.22,;-15.27,2.7,;-16.75,2.3,;-17.84,3.39,;-17.44,4.88,;-15.96,5.28,;-14.87,4.19,;-13.38,4.59,;-18.53,5.97,;-19.62,7.06,;-19.62,4.88,;-17.44,7.06,;-11.2,2.36,;-9.66,2.36,;-8.12,-.31,;-8.89,-1.65,;-8.12,-2.98,;-6.58,-2.98,;-5.81,-1.65,;-4.27,-1.65,;-6.58,-.31,)|
CNc1ncc(cn1)N1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:10.27,13.17,(3.36,7.27,;2.96,5.79,;4.05,4.7,;5.54,5.1,;6.62,4.01,;6.23,2.52,;4.74,2.12,;3.65,3.21,;7.15,1.61,;8.62,2.09,;9.52,.84,;10.29,-.49,;11.83,-.49,;12.6,.84,;11.83,2.17,;10.29,2.17,;13.69,1.93,;15.18,1.53,;13.29,3.42,;13.69,-.25,;13.29,-1.74,;14.38,-2.82,;15.87,-2.43,;16.27,-.94,;15.18,.15,;8.62,-.41,;7.15,.07,;5.82,-.7,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1ccc(Cl)s1 |r,wU:6.11,3.2,(-5.24,-11.18,;-6.78,-11.18,;-7.55,-9.84,;-7.55,-12.51,;-8.32,-13.84,;-9.86,-13.84,;-10.63,-12.51,;-11.54,-11.26,;-13,-11.74,;-13,-13.28,;-14.33,-14.05,;-11.54,-13.76,;-13.93,-10.83,;-15.41,-11.23,;-16.5,-10.14,;-16.1,-8.65,;-14.62,-8.25,;-13.53,-9.34,;-12.04,-8.94,;-17.19,-7.56,;-16.79,-6.08,;-17.88,-4.99,;-19.37,-5.39,;-19.77,-6.87,;-18.68,-7.96,;-9.86,-11.18,;-8.32,-11.18,;-6.46,-13.6,;-6.7,-15.12,;-5.33,-15.82,;-4.24,-14.73,;-2.7,-14.73,;-4.94,-13.36,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)C(=O)C2CC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.96,-12.24,;14.47,-11.84,;14.07,-10.35,;13.38,-12.93,;12.61,-14.26,;11.07,-14.26,;10.3,-12.93,;9.4,-11.68,;7.93,-12.16,;7.93,-13.7,;6.6,-14.47,;9.4,-14.17,;7.01,-11.25,;7.4,-9.76,;6.32,-8.67,;4.83,-9.07,;4.43,-10.56,;5.52,-11.65,;3.74,-7.98,;2.25,-8.38,;4.14,-6.49,;3.05,-5.41,;5.62,-6.1,;7.11,-6.49,;6.71,-5.01,;11.07,-11.59,;12.61,-11.59,;14.47,-14.02,;14.07,-15.5,;15.16,-16.59,;16.65,-16.2,;17.05,-14.71,;15.96,-13.62,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)C(=O)c2cc(C)nn2C)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.08,-27.24,;-7.57,-26.85,;-7.97,-25.36,;-8.66,-27.93,;-9.43,-29.27,;-10.97,-29.27,;-11.74,-27.93,;-12.65,-26.69,;-14.11,-27.16,;-14.11,-28.7,;-15.44,-29.47,;-12.65,-29.18,;-15.04,-26.26,;-14.64,-24.77,;-15.73,-23.68,;-17.21,-24.08,;-17.61,-25.56,;-16.52,-26.65,;-18.3,-22.99,;-19.79,-23.39,;-17.9,-21.5,;-18.99,-20.41,;-16.42,-21.1,;-15.17,-22.01,;-13.92,-21.1,;-12.59,-21.87,;-14.4,-19.64,;-15.94,-19.64,;-16.71,-18.3,;-10.97,-26.6,;-9.43,-26.6,;-7.57,-29.02,;-7.97,-30.51,;-6.88,-31.6,;-5.39,-31.2,;-5,-29.71,;-6.08,-28.62,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C(F)(F)F)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.86,-23.62,;14.32,-23.62,;13.55,-22.28,;13.55,-24.95,;12.78,-26.28,;11.24,-26.28,;10.47,-24.95,;9.56,-23.7,;8.1,-24.18,;8.1,-25.72,;6.76,-26.49,;9.56,-26.2,;7.17,-23.27,;5.69,-23.67,;4.6,-22.58,;5,-21.09,;6.48,-20.69,;7.57,-21.78,;9.06,-21.38,;9.46,-19.9,;10.15,-22.47,;10.6,-21.38,;3.91,-20,;4.3,-18.52,;2.42,-20.4,;2.42,-19.6,;11.24,-23.62,;12.78,-23.62,;14.23,-26.13,;13.46,-27.46,;14.23,-28.8,;15.77,-28.8,;16.54,-27.46,;15.77,-26.13,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3nc(ncc3c2)N(C)CCO)CC1)c1ccccc1 |r,wU:6.11,3.2,(-2.18,25.78,;-3.67,25.38,;-4.76,26.47,;-4.07,23.9,;-4.39,22.39,;-5.85,21.91,;-7,22.94,;-8.25,23.85,;-9.49,22.94,;-9.02,21.48,;-9.79,20.15,;-7.48,21.48,;-10.98,23.34,;-12.07,22.25,;-13.55,22.65,;-13.95,24.14,;-15.44,24.54,;-15.84,26.03,;-14.75,27.12,;-13.26,26.72,;-12.86,25.23,;-11.38,24.83,;-17.33,26.43,;-18.42,25.34,;-17.73,27.91,;-19.21,28.31,;-20.3,27.22,;-6.68,24.45,;-5.21,24.93,;-2.98,22.81,;-3.38,21.32,;-2.29,20.23,;-.8,20.63,;-.4,22.12,;-1.49,23.21,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3nc(ncc3c2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(16.89,18.66,;15.35,18.66,;14.58,19.99,;14.58,17.33,;13.81,15.99,;12.27,15.99,;11.5,17.33,;10.59,18.57,;9.13,18.1,;9.13,16.56,;7.8,15.79,;10.59,16.08,;8.2,19.01,;6.72,18.61,;5.63,19.7,;6.03,21.18,;4.94,22.27,;5.34,23.76,;6.82,24.16,;7.91,23.07,;7.51,21.58,;8.6,20.49,;4.25,24.85,;4.65,26.34,;3.56,27.43,;2.07,27.03,;1.67,25.54,;2.76,24.45,;12.27,18.66,;13.81,18.66,;15.26,16.15,;14.49,14.81,;15.26,13.48,;16.8,13.48,;17.57,14.81,;16.8,16.15,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cn(C(C)=O)c3ccccc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.15,5.93,;13.66,6.33,;13.26,7.82,;12.57,5.24,;11.8,3.91,;10.26,3.91,;9.49,5.24,;8.59,6.49,;7.12,6.01,;7.12,4.47,;5.79,3.7,;8.59,4,;6.2,6.92,;6.2,8.46,;4.73,8.94,;4.34,10.43,;5.42,11.52,;2.85,10.83,;3.83,7.69,;2.3,7.53,;1.67,6.13,;2.58,4.88,;4.11,5.04,;4.73,6.45,;10.26,6.58,;11.8,6.58,;13.76,4.56,;13.76,3.02,;15.09,2.25,;16.42,3.02,;16.42,4.56,;15.09,5.33,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3ncncc3c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-8.22,-7.78,;-9.76,-7.78,;-10.53,-6.44,;-10.53,-9.11,;-11.3,-10.44,;-12.84,-10.44,;-13.61,-9.11,;-14.51,-7.87,;-15.98,-8.34,;-15.98,-9.88,;-17.31,-10.65,;-14.51,-10.36,;-16.9,-7.43,;-18.39,-7.83,;-19.48,-6.74,;-19.08,-5.25,;-20.17,-4.17,;-19.77,-2.68,;-18.29,-2.28,;-17.2,-3.37,;-17.6,-4.86,;-16.51,-5.94,;-12.84,-7.78,;-11.3,-7.78,;-9.85,-10.29,;-10.62,-11.62,;-9.85,-12.96,;-8.31,-12.96,;-7.54,-11.62,;-8.31,-10.29,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C#N)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.3,-7.38,;17.82,-6.98,;17.42,-5.49,;16.73,-8.07,;15.96,-9.4,;14.42,-9.4,;13.65,-8.07,;12.74,-6.82,;11.28,-7.3,;11.28,-8.84,;9.94,-9.61,;12.74,-9.31,;10.17,-6.7,;8.84,-7.47,;7.5,-6.7,;7.5,-5.16,;8.84,-4.39,;10.17,-5.16,;11.5,-4.39,;12.84,-3.62,;6.17,-4.39,;6.17,-2.85,;4.84,-2.08,;3.5,-2.85,;3.5,-4.39,;2.36,-5.42,;2.98,-6.83,;2.21,-8.16,;4.52,-6.67,;4.84,-5.16,;14.42,-6.73,;15.96,-6.73,;17.82,-9.16,;17.42,-10.64,;18.51,-11.73,;19.99,-11.33,;20.39,-9.85,;19.3,-8.76,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)C(=O)C2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.52,-23.07,;-8.01,-22.67,;-8.41,-21.18,;-9.1,-23.76,;-9.87,-25.09,;-11.41,-25.09,;-12.18,-23.76,;-13.08,-22.52,;-14.55,-22.99,;-14.55,-24.53,;-15.88,-25.3,;-13.08,-25.01,;-15.64,-21.9,;-15.24,-20.41,;-16.33,-19.33,;-17.82,-19.72,;-18.21,-21.21,;-17.12,-22.3,;-18.9,-18.64,;-20.39,-19.03,;-18.51,-17.15,;-19.59,-16.06,;-17.02,-16.75,;-15.93,-17.84,;-14.44,-17.44,;-14.04,-15.95,;-15.13,-14.86,;-16.62,-15.26,;-11.41,-22.43,;-9.87,-22.43,;-8.01,-24.85,;-8.41,-26.34,;-7.32,-27.43,;-5.83,-27.03,;-5.43,-25.54,;-6.52,-24.45,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)N(C)C(=O)C(C)(C)C)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.52,-22.65,;14.03,-22.25,;13.63,-20.77,;12.94,-23.34,;12.17,-24.68,;10.63,-24.68,;9.86,-23.34,;8.96,-22.1,;7.49,-22.57,;7.49,-24.11,;6.16,-24.88,;8.96,-24.59,;6.4,-21.48,;6.8,-20,;5.71,-18.91,;4.23,-19.31,;3.83,-20.79,;4.92,-21.88,;3.14,-18.22,;1.65,-18.61,;3.54,-16.73,;2.45,-15.64,;5.02,-16.33,;6.11,-17.42,;5.42,-14.84,;6.51,-15.93,;10.63,-22.01,;12.17,-22.01,;14.03,-24.43,;13.63,-25.92,;14.72,-27.01,;16.21,-26.61,;16.61,-25.12,;15.52,-24.03,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)-c2cccc3N(C)C(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.13,25.01,;-4.62,25.41,;-5.02,26.9,;-5.71,24.32,;-6.48,22.99,;-8.02,22.99,;-8.79,24.32,;-9.69,25.57,;-11.16,25.09,;-11.16,23.55,;-12.49,22.78,;-9.69,23.08,;-12.25,26.18,;-11.85,27.67,;-12.94,28.76,;-14.42,28.36,;-14.82,26.87,;-13.73,25.78,;-15.51,29.45,;-15.35,30.98,;-16.6,31.89,;-18,31.26,;-18.17,29.73,;-19.41,28.82,;-20.9,29.22,;-18.94,27.36,;-19.71,26.03,;-17.4,27.36,;-16.92,28.82,;-8.02,25.66,;-6.48,25.66,;-4.62,23.24,;-5.02,21.75,;-3.93,20.66,;-2.44,21.06,;-2.04,22.55,;-3.13,23.63,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3[nH]c(nc3c2)N2CCOCC2)CC1)c1ccccc1 |r,wU:6.11,3.2,(20.13,28.95,;18.59,28.95,;17.82,30.29,;17.82,27.62,;17.05,26.28,;15.51,26.28,;14.74,27.62,;13.83,28.86,;12.37,28.39,;12.37,26.85,;11.04,26.08,;13.83,26.37,;11.04,29.16,;11.04,30.7,;9.7,31.47,;8.37,30.7,;6.9,31.17,;6,29.93,;6.9,28.68,;8.37,29.16,;9.7,28.39,;4.46,29.93,;3.69,31.26,;2.15,31.26,;1.38,29.93,;2.15,28.59,;3.69,28.59,;15.51,28.95,;17.05,28.95,;18.59,26.28,;17.82,24.95,;18.59,23.62,;20.13,23.62,;20.9,24.95,;20.13,26.28,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cc(C)cc(F)c1 |r,wU:6.11,3.2,(-7.53,12.66,;-9.07,12.66,;-9.84,13.99,;-9.84,11.33,;-10.61,9.99,;-12.15,9.99,;-12.92,11.33,;-13.82,12.57,;-15.29,12.1,;-15.29,10.56,;-16.62,9.79,;-13.82,10.08,;-16.38,13.19,;-17.86,12.79,;-18.95,13.88,;-18.55,15.36,;-17.07,15.76,;-15.98,14.67,;-14.49,15.07,;-19.64,16.45,;-20.73,15.36,;-18.55,17.54,;-20.73,17.54,;-12.15,12.66,;-10.61,12.66,;-9.07,9.99,;-9.84,8.66,;-9.07,7.33,;-9.84,5.99,;-7.53,7.33,;-6.76,8.66,;-5.22,8.66,;-7.53,9.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(nc2)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(19.02,12.27,;17.54,12.67,;17.14,14.15,;16.45,11.58,;15.68,10.24,;14.14,10.24,;13.37,11.58,;12.46,12.82,;11,12.35,;11,10.81,;9.66,10.04,;12.46,10.33,;9.66,13.12,;9.66,14.66,;8.33,15.43,;7,14.66,;7,13.12,;8.33,12.35,;5.66,15.43,;5.66,16.97,;4.33,17.74,;2.99,16.97,;2.99,15.43,;1.85,14.4,;2.48,12.99,;1.71,11.66,;4.01,13.15,;4.33,14.66,;14.14,12.91,;15.68,12.91,;17.54,10.49,;17.14,9,;18.23,7.91,;19.71,8.31,;20.11,9.8,;19.02,10.89,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(O)c1 |r,wU:6.11,3.2,(-7.26,-1.12,;-8.75,-.72,;-9.15,.77,;-9.84,-1.81,;-10.61,-3.14,;-12.15,-3.14,;-12.92,-1.81,;-13.82,-.57,;-15.29,-1.04,;-15.29,-2.58,;-16.62,-3.35,;-13.82,-3.06,;-16.38,.05,;-17.86,-.35,;-18.95,.74,;-18.55,2.23,;-17.07,2.62,;-15.98,1.54,;-14.49,1.93,;-19.64,3.31,;-18.55,4.4,;-20.73,2.23,;-20.73,4.4,;-12.15,-.48,;-10.61,-.48,;-8.75,-2.9,;-9.15,-4.39,;-8.06,-5.48,;-6.57,-5.08,;-6.17,-3.59,;-4.68,-3.19,;-7.26,-2.5,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCC3)c(c2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.71,-.73,;14.17,-.73,;13.4,.6,;13.4,-2.06,;12.63,-3.4,;11.09,-3.4,;10.32,-2.06,;9.41,-.82,;7.95,-1.29,;7.95,-2.83,;6.62,-3.6,;9.41,-3.31,;6.86,-.2,;7.26,1.28,;6.17,2.37,;4.68,1.97,;3.59,3.06,;3.59,4.6,;2.05,4.6,;2.05,3.06,;4.28,.49,;5.37,-.6,;2.8,.09,;2.4,1.58,;3.2,-1.4,;1.31,-.31,;11.09,-.73,;12.63,-.73,;14.17,-3.4,;13.4,-4.73,;14.17,-6.06,;15.71,-6.06,;16.48,-4.73,;15.71,-3.4,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnccc2C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(-9.25,-11.8,;-10.79,-11.8,;-11.56,-10.47,;-11.56,-13.13,;-12.33,-14.47,;-13.87,-14.47,;-14.64,-13.13,;-15.55,-11.89,;-17.01,-12.36,;-17.01,-13.9,;-18.35,-14.67,;-15.55,-14.38,;-15.15,-15.87,;-16.24,-16.96,;-17.73,-17.35,;-16.64,-18.44,;-18.1,-11.27,;-19.59,-11.67,;-20.68,-10.58,;-20.28,-9.1,;-18.79,-8.7,;-17.7,-9.79,;-16.22,-9.39,;-14.73,-8.99,;-13.87,-11.8,;-12.33,-11.8,;-10.79,-14.47,;-11.56,-15.8,;-10.79,-17.13,;-9.25,-17.13,;-8.48,-15.8,;-9.25,-14.47,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2C(F)(F)F)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(14.91,-14.17,;13.37,-14.17,;12.6,-12.84,;12.6,-15.51,;11.83,-16.84,;10.29,-16.84,;9.52,-15.51,;8.62,-14.26,;7.15,-14.74,;7.15,-16.28,;5.82,-17.05,;8.62,-16.75,;6.06,-13.65,;4.58,-14.05,;3.49,-12.96,;3.89,-11.47,;5.37,-11.07,;6.46,-12.16,;7.95,-11.76,;9.49,-11.76,;8.35,-10.27,;9.04,-12.85,;2.8,-10.38,;1.31,-10.78,;3.2,-8.89,;1.31,-9.98,;10.29,-14.17,;11.83,-14.17,;13.37,-16.84,;12.6,-18.17,;13.37,-19.51,;14.91,-19.51,;15.68,-18.17,;14.91,-16.84,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCOCC3)c(F)c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-4.9,-26.3,;-6.44,-26.3,;-7.21,-24.97,;-7.21,-27.64,;-7.98,-28.97,;-9.52,-28.97,;-10.29,-27.64,;-11.2,-26.39,;-12.66,-26.87,;-12.66,-28.41,;-13.99,-29.18,;-11.2,-28.88,;-13.99,-26.1,;-15.33,-26.87,;-16.66,-26.1,;-16.66,-24.56,;-18,-23.79,;-18,-22.25,;-19.33,-21.48,;-20.66,-22.25,;-20.66,-23.79,;-19.33,-24.56,;-15.33,-23.79,;-15.33,-22.25,;-13.99,-24.56,;-9.52,-26.3,;-7.98,-26.3,;-6.44,-28.97,;-7.21,-30.3,;-6.44,-31.64,;-4.9,-31.64,;-4.13,-30.3,;-4.9,-28.97,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(cc2C)C(F)(F)F)CC1)c1cccc(Cl)c1 |r,wU:6.11,3.2,(14.51,-26.55,;12.97,-26.55,;12.2,-25.22,;12.2,-27.89,;11.43,-29.22,;9.89,-29.22,;9.12,-27.89,;8.22,-26.64,;6.75,-27.12,;6.75,-28.66,;5.42,-29.43,;8.22,-29.13,;5.67,-26.03,;4.18,-26.43,;3.09,-25.34,;3.49,-23.85,;4.98,-23.45,;6.06,-24.54,;7.55,-24.14,;2.4,-22.76,;3.49,-21.67,;1.31,-23.85,;1.31,-21.67,;9.89,-26.55,;11.43,-26.55,;12.97,-29.22,;12.2,-30.55,;12.97,-31.89,;14.51,-31.89,;15.28,-30.55,;16.82,-30.55,;14.51,-29.22,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)-c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-3.26,26.45,;-4.75,26.84,;-5.15,28.33,;-5.84,25.76,;-6.61,24.42,;-8.15,24.42,;-8.92,25.76,;-9.82,27,;-11.29,26.53,;-11.29,24.99,;-12.62,24.22,;-9.82,24.51,;-12.62,27.3,;-12.62,28.84,;-13.96,29.61,;-15.29,28.84,;-15.29,27.3,;-13.96,26.53,;-16.62,29.61,;-16.62,31.15,;-17.96,31.92,;-19.29,31.15,;-19.29,29.61,;-20.43,28.58,;-19.81,27.17,;-20.52,25.68,;-18.28,27.33,;-17.96,28.84,;-8.15,27.09,;-6.61,27.09,;-4.75,24.67,;-5.15,23.18,;-4.06,22.09,;-2.57,22.49,;-2.17,23.98,;-3.26,25.07,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2nnc(s2)C(F)(F)F)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.68,29.46,;14.14,29.46,;13.37,30.79,;13.37,28.12,;12.6,26.79,;11.06,26.79,;10.29,28.12,;9.38,29.37,;7.92,28.89,;7.92,27.35,;6.58,26.58,;9.38,26.88,;6.58,29.66,;6.42,31.19,;4.92,31.51,;4.15,30.18,;5.18,29.04,;2.61,30.18,;2.61,31.72,;2.61,28.64,;1.07,30.18,;11.06,29.46,;12.6,29.46,;14.14,26.79,;13.37,25.45,;14.14,24.12,;15.68,24.12,;16.45,25.45,;15.68,26.79,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cccc3NC(=O)Cc23)CC1)c1ccccc1 |r,wU:6.11,3.2,(-7,15.88,;-8.48,16.27,;-8.48,17.81,;-9.57,15.18,;-10.34,13.85,;-11.88,13.85,;-12.65,15.18,;-13.56,16.43,;-15.02,15.95,;-15.02,14.41,;-16.35,13.64,;-13.56,13.94,;-16.11,17.04,;-15.71,18.53,;-16.8,19.62,;-18.29,19.22,;-18.69,17.73,;-20.06,17.03,;-19.82,15.51,;-20.91,14.42,;-18.3,15.27,;-17.6,16.65,;-11.88,16.52,;-10.34,16.52,;-8.24,14.41,;-8.24,12.87,;-6.9,12.1,;-5.57,12.87,;-5.57,14.41,;-6.9,15.18,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc3[nH]c(nc3c2)N(C)CCO)CC1)c1ccccc1 |r,wU:6.11,3.2,(20.37,16.68,;18.83,16.68,;18.06,18.02,;18.06,15.35,;17.29,14.02,;15.75,14.02,;14.98,15.35,;14.08,16.6,;12.61,16.12,;12.61,14.58,;11.28,13.81,;14.08,14.1,;11.28,16.89,;11.28,18.43,;9.95,19.2,;8.61,18.43,;7.15,18.91,;6.24,17.66,;7.15,16.41,;8.61,16.89,;9.95,16.12,;4.7,17.66,;3.93,16.33,;3.93,18.99,;2.39,18.99,;1.62,17.66,;15.75,16.68,;17.29,16.68,;18.83,14.02,;18.06,12.68,;18.83,11.35,;20.37,11.35,;21.14,12.68,;20.37,14.02,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(N3CCOCC3)c(C)c2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-5.15,4.93,;-6.69,4.93,;-7.46,6.26,;-7.46,3.6,;-8.23,2.26,;-9.77,2.26,;-10.54,3.6,;-11.44,4.84,;-12.9,4.37,;-12.9,2.83,;-14.24,2.06,;-11.44,2.35,;-14.24,5.14,;-15.57,4.37,;-16.91,5.14,;-16.91,6.68,;-18.24,7.45,;-18.24,8.99,;-19.57,9.76,;-20.91,8.99,;-20.91,7.45,;-19.57,6.68,;-15.57,7.45,;-15.57,8.99,;-14.24,6.68,;-9.77,4.93,;-8.23,4.93,;-6.69,2.26,;-7.46,.93,;-6.69,-.4,;-5.15,-.4,;-4.38,.93,;-5.15,2.26,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(cn2)S(C)(=O)=O)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(14.77,3.58,;13.28,3.98,;13.28,5.52,;12.19,2.89,;11.42,1.56,;9.88,1.56,;9.11,2.89,;8.21,4.14,;6.74,3.66,;6.74,2.12,;5.41,1.35,;8.21,1.64,;8.98,.31,;8.21,-1.02,;6.72,-1.42,;7.81,-2.51,;5.65,4.75,;6.05,6.24,;4.96,7.32,;3.47,6.93,;3.08,5.44,;4.17,4.35,;2.39,8.02,;.9,7.62,;2.39,9.56,;3.47,9.1,;9.88,4.22,;11.42,4.22,;13.53,2.12,;13.53,.58,;14.86,-.19,;16.19,.58,;16.19,2.12,;17.53,2.89,;14.86,2.89,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2ccc(cn2)S(C)(=O)=O)CC1)c1cccc(F)c1 |r,wU:5.10,2.1,(-7.27,-10.81,;-8.76,-10.41,;-9.85,-11.5,;-10.62,-12.84,;-12.16,-12.84,;-12.93,-11.5,;-13.83,-10.26,;-15.3,-10.73,;-15.3,-12.27,;-16.63,-13.04,;-13.83,-12.75,;-13.06,-14.08,;-13.83,-15.42,;-15.32,-15.81,;-14.23,-16.9,;-16.39,-9.64,;-15.99,-8.16,;-17.08,-7.07,;-18.57,-7.47,;-18.96,-8.95,;-17.88,-10.04,;-19.66,-6.38,;-21.14,-6.78,;-19.66,-4.84,;-18.57,-5.29,;-12.16,-10.17,;-10.62,-10.17,;-8.52,-12.27,;-8.52,-13.81,;-7.18,-14.58,;-5.85,-13.81,;-5.85,-12.27,;-4.52,-11.5,;-7.18,-11.5,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2cnc(nc2)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:5.10,2.1,(12.36,-8.78,;13.13,-10.11,;12.36,-11.45,;11.59,-12.78,;10.05,-12.78,;9.28,-11.45,;8.37,-10.2,;6.91,-10.68,;6.91,-12.22,;5.58,-12.99,;8.37,-12.69,;9.14,-14.03,;8.37,-15.36,;6.83,-15.36,;6.83,-16.9,;8.37,-16.9,;5.82,-9.59,;6.22,-8.1,;5.13,-7.01,;3.64,-7.41,;3.24,-8.9,;4.33,-9.99,;2.55,-6.32,;1.07,-6.72,;2.95,-4.83,;1.46,-5.23,;10.05,-10.11,;11.59,-10.11,;13.13,-12.78,;12.36,-14.11,;13.13,-15.45,;14.67,-15.45,;15.44,-14.11,;16.98,-14.11,;14.67,-12.78,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(nc2)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-9.68,-23.85,;-8.91,-25.18,;-7.37,-25.18,;-9.68,-26.51,;-10.45,-27.85,;-11.99,-27.85,;-12.76,-26.51,;-13.67,-25.27,;-15.13,-25.74,;-15.13,-27.28,;-16.47,-28.05,;-13.67,-27.76,;-12.9,-29.09,;-13.67,-30.43,;-15.15,-30.83,;-14.07,-31.92,;-16.22,-24.66,;-15.82,-23.17,;-16.91,-22.08,;-18.4,-22.48,;-18.8,-23.97,;-17.71,-25.05,;-19.49,-21.39,;-20.98,-21.79,;-19.09,-19.9,;-20.58,-20.3,;-11.99,-25.18,;-10.45,-25.18,;-8.91,-27.85,;-9.68,-29.18,;-8.91,-30.52,;-7.37,-30.52,;-6.6,-29.18,;-5.06,-29.18,;-7.37,-27.85,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cnc(nc2)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:5.10,2.1,(12.36,-23.85,;13.13,-25.18,;12.36,-26.51,;11.59,-27.85,;10.05,-27.85,;9.28,-26.51,;8.37,-25.27,;6.91,-25.74,;6.91,-27.28,;5.58,-28.05,;8.37,-27.76,;9.14,-29.09,;8.37,-30.43,;6.89,-30.83,;7.98,-31.92,;5.82,-24.66,;6.22,-23.17,;5.13,-22.08,;3.64,-22.48,;3.24,-23.97,;4.33,-25.05,;2.55,-21.39,;1.07,-21.79,;2.95,-19.9,;1.46,-20.3,;10.05,-25.18,;11.59,-25.18,;13.13,-27.85,;12.36,-29.18,;13.13,-30.52,;14.67,-30.52,;15.44,-29.18,;16.98,-29.18,;14.67,-27.85,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-8.35,27.88,;-7.58,26.55,;-6.04,26.55,;-8.35,25.21,;-9.12,23.88,;-10.66,23.88,;-11.43,25.21,;-12.33,26.46,;-13.8,25.98,;-13.8,24.44,;-15.13,23.67,;-12.33,23.97,;-14.89,27.07,;-14.49,28.56,;-15.58,29.65,;-17.07,29.25,;-17.46,27.76,;-16.37,26.67,;-18.15,30.34,;-19.64,29.94,;-17.76,31.83,;-19.24,31.43,;-10.66,26.55,;-9.12,26.55,;-7.58,23.88,;-8.35,22.55,;-7.58,21.21,;-6.04,21.21,;-5.27,22.55,;-3.73,22.55,;-6.04,23.88,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cc(nn2C)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(13.38,27.61,;13.38,26.07,;14.87,25.67,;12.29,24.98,;11.52,23.64,;9.98,23.64,;9.21,24.98,;8.3,26.22,;6.84,25.75,;6.84,24.21,;5.51,23.44,;8.3,23.73,;9.07,22.4,;8.3,21.06,;6.82,20.66,;7.91,19.58,;5.75,26.84,;5.75,28.38,;4.29,28.85,;3.38,27.61,;4.29,26.36,;3.89,24.87,;3.89,30.34,;2.4,30.74,;4.98,31.43,;3.49,31.83,;9.98,26.31,;11.52,26.31,;13.62,24.21,;13.62,22.67,;14.96,21.9,;16.29,22.67,;16.29,24.21,;17.62,24.98,;14.96,24.98,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2CC2CC2)c2cc(nn2C)C(F)(F)F)CC1)c1cccc(F)c1 |r,wU:5.10,2.1,(-7.18,11.58,;-8.66,11.98,;-9.75,10.89,;-10.52,9.56,;-12.06,9.56,;-12.83,10.89,;-13.74,12.14,;-15.2,11.66,;-15.2,10.12,;-16.54,9.35,;-13.74,9.64,;-12.97,8.31,;-13.74,6.98,;-15.22,6.58,;-14.14,5.49,;-16.29,12.75,;-16.29,14.29,;-17.76,14.76,;-18.66,13.52,;-17.76,12.27,;-18.15,10.78,;-18.15,16.25,;-19.64,16.65,;-17.07,17.34,;-18.55,17.74,;-12.06,12.22,;-10.52,12.22,;-8.42,10.12,;-8.42,8.58,;-7.08,7.81,;-5.75,8.58,;-5.75,10.12,;-4.42,10.89,;-7.08,10.89,)|
CN[C@]1(CC[C@]2(CN(C(=O)N2)c2cnc(nc2C)N2CCOCC2)CC1)c1ccccc1 |r,wU:5.10,2.1,(16.94,11.57,;15.4,11.57,;14.63,10.23,;13.86,8.9,;12.32,8.9,;11.55,10.23,;10.65,11.48,;9.18,11,;9.18,9.46,;7.85,8.69,;10.65,8.99,;8.1,12.09,;6.61,11.69,;5.52,12.78,;5.92,14.27,;7.41,14.67,;8.49,13.58,;9.98,13.98,;4.83,15.36,;5.23,16.85,;4.14,17.94,;2.65,17.54,;2.25,16.05,;3.34,14.96,;12.32,11.57,;13.86,11.57,;15.4,8.9,;14.63,7.57,;15.4,6.23,;16.94,6.23,;17.71,7.57,;16.94,8.9,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ncc(cc2C)N2CCC2)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(-4.81,-.32,;-6.35,-.32,;-7.12,1.01,;-7.12,-1.66,;-7.89,-2.99,;-9.43,-2.99,;-10.2,-1.66,;-11.1,-.41,;-12.57,-.89,;-12.57,-2.43,;-13.9,-3.2,;-11.1,-2.9,;-13.9,-.12,;-15.23,-.89,;-16.57,-.12,;-16.57,1.42,;-15.23,2.19,;-13.9,1.42,;-12.57,2.19,;-17.9,2.19,;-18.3,3.68,;-19.79,3.28,;-19.39,1.79,;-9.43,-.32,;-7.89,-.32,;-6.35,-2.99,;-7.12,-4.33,;-6.35,-5.66,;-4.81,-5.66,;-4.04,-4.33,;-2.5,-4.33,;-4.81,-2.99,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)c2ccc(cn2)S(C)(=O)=O)CC1)c1cccc(F)c1 |r,wU:6.11,3.2,(14.61,-.56,;14.61,-2.1,;16.1,-2.49,;13.53,-3.19,;12.76,-4.52,;11.22,-4.52,;10.45,-3.19,;9.54,-1.94,;8.08,-2.42,;8.08,-3.96,;6.74,-4.73,;9.54,-4.43,;6.99,-1.33,;7.39,.16,;6.3,1.25,;4.81,.85,;4.41,-.64,;5.5,-1.72,;3.72,1.94,;2.23,1.54,;4.81,3.03,;3.72,3.48,;11.22,-1.85,;12.76,-1.85,;14.86,-3.96,;14.86,-5.5,;16.19,-6.27,;17.53,-5.5,;17.53,-3.96,;18.86,-3.19,;16.19,-3.19,)|
COCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:28.44,31.34,(-21.18,26.16,;-19.84,25.39,;-18.51,26.16,;-17.18,25.39,;-15.84,26.16,;-14.51,25.39,;-13.17,26.16,;-11.84,25.39,;-10.51,26.16,;-9.17,25.39,;-7.84,26.16,;-6.51,25.39,;-5.17,26.16,;-3.84,25.39,;-2.5,26.16,;-1.17,25.39,;.16,26.16,;1.5,25.39,;2.83,26.16,;4.16,25.39,;5.5,26.16,;6.83,25.39,;8.16,26.16,;9.5,25.39,;9.5,23.85,;10.83,26.16,;12.17,25.39,;13.63,25.87,;14.54,24.62,;15.62,23.53,;17.11,23.93,;17.51,25.42,;16.42,26.51,;14.93,26.11,;17.91,26.91,;16.82,28,;19.4,27.31,;18.6,24.33,;18.2,22.84,;19.29,21.76,;20.78,22.15,;21.18,23.64,;20.09,24.73,;13.63,23.38,;13.63,21.84,;12.86,20.5,;11.37,20.11,;11.77,18.62,;13.26,19.02,;12.17,23.85,;10.83,23.08,)|
COC(=O)c1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:15.31,18.21,(-21.18,14.65,;-19.84,13.88,;-18.51,14.65,;-18.51,16.19,;-17.18,13.88,;-17.18,12.34,;-15.84,11.57,;-14.51,12.34,;-14.51,13.88,;-13.17,14.65,;-11.84,13.88,;-11.84,12.34,;-10.51,14.65,;-9.17,13.88,;-7.71,14.36,;-6.8,13.11,;-6.03,11.78,;-4.49,11.78,;-3.72,13.11,;-4.49,14.44,;-6.03,14.44,;-2.95,14.44,;-3.72,15.78,;-1.41,14.44,;-2.95,11.78,;-3.72,10.44,;-2.95,9.11,;-1.41,9.11,;-.64,10.44,;-1.41,11.78,;-7.71,11.87,;-7.31,10.38,;-8.4,9.29,;-9.94,9.29,;-9.94,7.75,;-8.4,7.75,;-9.17,12.34,;-10.51,11.57,;-15.84,14.65,)|
C[C@H](CO)NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.26,13.16,wD:1.0,(3.76,13.79,;4.16,15.28,;3.07,16.37,;1.58,15.97,;5.65,15.68,;6.74,14.59,;6.34,13.1,;8.22,14.99,;9.31,13.9,;10.78,14.38,;11.68,13.13,;12.45,11.8,;13.99,11.8,;14.76,13.13,;13.99,14.46,;12.45,14.46,;15.53,14.46,;14.76,15.8,;17.07,14.46,;15.53,11.8,;14.76,10.46,;15.53,9.13,;17.07,9.13,;17.84,10.46,;17.07,11.8,;10.78,11.88,;11.18,10.4,;10.09,9.31,;8.55,9.31,;8.55,7.77,;10.09,7.77,;9.31,12.36,;7.98,11.59,)|
C[C@@H](CO)NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.26,13.16,1.0,(-18.28,1.74,;-17.88,3.22,;-18.97,4.31,;-20.46,3.91,;-16.39,3.62,;-15.31,2.53,;-15.7,1.05,;-13.82,2.93,;-12.73,1.84,;-11.26,2.32,;-10.36,1.07,;-9.59,-.26,;-8.05,-.26,;-7.28,1.07,;-8.05,2.41,;-9.59,2.41,;-6.51,2.41,;-7.28,3.74,;-4.97,2.41,;-6.51,-.26,;-7.28,-1.59,;-6.51,-2.93,;-4.97,-2.93,;-4.2,-1.59,;-4.97,-.26,;-11.26,-.17,;-10.87,-1.66,;-11.95,-2.75,;-13.49,-2.75,;-13.49,-4.29,;-11.95,-4.29,;-12.73,.3,;-14.06,-.47,)|
CNC(=O)CN(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.28,15.18,(.87,3.34,;1.96,2.25,;3.45,2.65,;3.85,4.13,;4.54,1.56,;6.02,1.96,;6.42,3.44,;7.11,.87,;6.71,-.62,;8.6,1.27,;9.69,.18,;11.15,.65,;12.06,-.59,;12.83,-1.93,;14.37,-1.93,;15.14,-.59,;14.37,.74,;12.83,.74,;15.91,.74,;15.14,2.07,;17.45,.74,;15.91,-1.93,;15.14,-3.26,;15.91,-4.59,;17.45,-4.59,;18.22,-3.26,;17.45,-1.93,;11.15,-1.84,;11.55,-3.33,;10.46,-4.42,;8.92,-4.42,;8.92,-5.96,;10.46,-5.96,;9.69,-1.36,;8.35,-2.13,)|
COC(=O)c1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:14.30,17.20,(-20.95,-15.17,;-19.61,-14.4,;-19.61,-12.86,;-20.95,-12.09,;-18.28,-12.09,;-16.95,-12.86,;-15.61,-12.09,;-15.61,-10.55,;-14.28,-9.78,;-12.94,-10.55,;-12.94,-12.09,;-11.61,-9.78,;-10.28,-10.55,;-8.81,-10.07,;-7.91,-11.32,;-7.14,-12.65,;-5.6,-12.65,;-4.83,-11.32,;-5.6,-9.99,;-7.14,-9.99,;-4.06,-9.99,;-4.83,-8.65,;-2.52,-9.99,;-4.06,-12.65,;-4.83,-13.99,;-4.06,-15.32,;-2.52,-15.32,;-1.75,-13.99,;-2.52,-12.65,;-8.81,-12.57,;-8.41,-14.05,;-9.5,-15.14,;-11.04,-15.14,;-11.04,-16.68,;-9.5,-16.68,;-10.28,-12.09,;-11.61,-12.86,;-16.95,-9.78,;-18.28,-10.55,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(14.49,-9.01,;15.26,-10.34,;16.8,-10.34,;14.49,-11.67,;13.72,-13.01,;12.18,-13.01,;11.41,-11.67,;10.51,-10.43,;9.04,-10.9,;7.71,-10.13,;6.37,-10.9,;6.37,-12.44,;5.04,-10.13,;5.44,-8.65,;3.71,-10.9,;2.48,-9.97,;2.22,-11.3,;3.31,-12.39,;1.82,-12.79,;4.4,-13.48,;9.04,-12.44,;7.71,-13.21,;10.51,-12.92,;10.9,-14.41,;9.82,-15.5,;8.28,-15.5,;8.28,-17.04,;9.82,-17.04,;12.18,-10.34,;13.72,-10.34,;15.26,-13.01,;14.49,-14.34,;15.26,-15.68,;16.8,-15.68,;17.57,-14.34,;16.8,-13.01,)|
CNC(=O)C(C)(C)NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.29,16.19,(-20.47,-24.35,;-20.47,-22.81,;-19.14,-22.04,;-17.81,-22.81,;-19.14,-20.5,;-20.47,-19.73,;-20.47,-21.27,;-17.81,-19.73,;-16.47,-20.5,;-16.87,-21.99,;-15.14,-19.73,;-13.81,-20.5,;-12.34,-20.03,;-11.44,-21.27,;-10.67,-22.6,;-9.13,-22.6,;-8.36,-21.27,;-9.13,-19.94,;-10.67,-19.94,;-7.59,-19.94,;-8.36,-18.6,;-6.05,-19.94,;-7.59,-22.6,;-8.36,-23.94,;-7.59,-25.27,;-6.05,-25.27,;-5.28,-23.94,;-6.05,-22.6,;-12.34,-22.52,;-11.94,-24,;-13.03,-25.09,;-14.57,-25.09,;-14.57,-26.63,;-13.03,-26.63,;-13.81,-22.04,;-15.14,-22.81,)|
CNC(=O)C(C)(C)N(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.30,17.20,(1.17,-23.86,;1.57,-22.37,;3.05,-21.97,;4.14,-23.06,;3.45,-20.48,;2.36,-19.4,;1.97,-20.88,;4.94,-20.09,;5.34,-18.6,;6.03,-21.17,;5.63,-22.66,;7.52,-20.78,;8.61,-21.86,;10.07,-21.39,;10.98,-22.63,;11.75,-23.97,;13.29,-23.97,;14.06,-22.63,;13.29,-21.3,;11.75,-21.3,;14.83,-21.3,;14.06,-19.97,;16.37,-21.3,;14.83,-23.97,;14.06,-25.3,;14.83,-26.64,;16.37,-26.64,;17.14,-25.3,;16.37,-23.97,;10.07,-23.88,;10.47,-25.37,;9.38,-26.46,;7.84,-26.46,;7.84,-28,;9.38,-28,;8.61,-23.4,;7.27,-24.17,)|
CN(C)C(=O)CN(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.29,16.19,(-21.08,23.46,;-19.99,22.37,;-20.39,20.88,;-18.5,22.77,;-18.1,24.25,;-17.41,21.68,;-15.93,22.08,;-15.53,23.56,;-14.84,20.99,;-15.23,19.5,;-13.35,21.38,;-12.26,20.3,;-10.8,20.77,;-9.89,19.53,;-9.12,18.19,;-7.58,18.19,;-6.81,19.53,;-7.58,20.86,;-9.12,20.86,;-6.04,20.86,;-6.81,22.19,;-4.5,20.86,;-6.04,18.19,;-6.81,16.86,;-6.04,15.52,;-4.5,15.52,;-3.73,16.86,;-4.5,18.19,;-10.8,18.28,;-10.4,16.79,;-11.49,15.7,;-13.03,15.7,;-13.03,14.16,;-11.49,14.16,;-12.26,18.76,;-13.59,17.99,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(14.18,21.58,;14.95,20.25,;16.49,20.25,;14.18,18.92,;13.41,17.58,;11.87,17.58,;11.1,18.92,;10.2,20.16,;8.74,19.69,;7.4,20.46,;6.07,19.69,;6.07,18.15,;4.73,20.46,;4.73,22,;6.07,22.77,;5.13,23.48,;3.4,22.77,;1.91,22.37,;3.8,24.25,;8.74,18.15,;7.4,17.38,;10.2,17.67,;10.6,16.18,;9.51,15.09,;7.97,15.09,;7.97,13.55,;9.51,13.55,;11.87,20.25,;13.41,20.25,;14.95,17.58,;14.18,16.25,;14.95,14.91,;16.49,14.91,;17.26,16.25,;16.49,17.58,)|
COc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:12.28,15.18,(-20.85,5.26,;-20.85,6.8,;-19.52,7.57,;-18.19,6.8,;-16.85,7.57,;-16.85,9.11,;-15.52,9.88,;-14.18,9.11,;-14.18,7.57,;-12.85,9.88,;-11.52,9.11,;-10.05,9.59,;-9.15,8.34,;-8.38,7.01,;-6.84,7.01,;-6.07,8.34,;-6.84,9.67,;-8.38,9.67,;-4.98,9.43,;-5.38,10.92,;-3.49,9.03,;-4.73,7.57,;-4.73,6.03,;-3.4,5.26,;-2.07,6.03,;-2.07,7.57,;-3.4,8.34,;-10.05,7.09,;-9.65,5.61,;-10.74,4.52,;-12.28,4.52,;-12.28,2.98,;-10.74,2.98,;-11.52,7.57,;-12.85,6.8,;-18.19,9.88,;-19.52,9.11,)|
COc1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(.96,9.11,;2.29,9.88,;3.63,9.11,;3.63,7.57,;4.96,6.8,;6.29,7.57,;6.29,9.11,;7.63,9.88,;8.96,9.11,;8.96,7.57,;10.29,9.88,;11.63,9.11,;13.09,9.59,;14,8.34,;14.77,7.01,;16.31,7.01,;17.08,8.34,;16.31,9.67,;14.77,9.67,;18.17,9.43,;17.77,10.92,;19.65,9.03,;18.41,7.57,;18.41,6.03,;19.74,5.26,;21.08,6.03,;21.08,7.57,;19.74,8.34,;13.09,7.09,;13.49,5.61,;12.4,4.52,;10.86,4.52,;10.86,2.98,;12.4,2.98,;11.63,7.57,;10.29,6.8,;4.96,9.88,)|
COc1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:13.29,16.19,(-19.29,-7.07,;-20.38,-5.98,;-19.98,-4.5,;-21.07,-3.41,;-20.67,-1.92,;-19.18,-1.52,;-18.09,-2.61,;-16.61,-2.21,;-15.52,-3.3,;-15.92,-4.79,;-14.03,-2.9,;-12.94,-3.99,;-11.48,-3.51,;-10.57,-4.76,;-9.8,-6.09,;-8.26,-6.09,;-7.49,-4.76,;-8.26,-3.43,;-9.8,-3.43,;-6.4,-3.67,;-6.8,-2.18,;-4.91,-4.07,;-6.4,-5.85,;-6.8,-7.34,;-5.71,-8.43,;-4.22,-8.03,;-3.83,-6.54,;-4.91,-5.45,;-11.48,-6.01,;-11.08,-7.49,;-12.17,-8.58,;-13.71,-8.58,;-13.71,-10.12,;-12.17,-10.12,;-12.94,-5.53,;-14.27,-6.3,;-18.49,-4.1,)|
CNC(=O)c1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:15.31,18.21,(.96,-2.32,;2.05,-3.41,;3.54,-3.01,;3.94,-1.52,;4.63,-4.1,;4.23,-5.59,;5.32,-6.68,;6.81,-6.28,;7.2,-4.79,;8.69,-4.39,;9.78,-5.48,;9.38,-6.97,;11.27,-5.08,;12.36,-6.17,;13.82,-5.7,;14.73,-6.94,;15.5,-8.28,;17.04,-8.28,;17.81,-6.94,;17.04,-5.61,;15.5,-5.61,;18.58,-5.61,;17.81,-4.28,;20.12,-5.61,;18.58,-8.28,;17.81,-9.61,;18.58,-10.94,;20.12,-10.94,;20.89,-9.61,;20.12,-8.28,;13.82,-8.19,;14.22,-9.68,;13.13,-10.76,;11.59,-10.76,;11.59,-12.3,;13.13,-12.3,;12.36,-7.71,;11.02,-8.48,;6.12,-3.7,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC[C@@H]3C[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,14.13,16.16,(-5.03,-16.22,;-4.26,-17.56,;-2.72,-17.56,;-5.03,-18.89,;-5.8,-20.22,;-7.34,-20.22,;-8.11,-18.89,;-9.01,-17.64,;-10.48,-18.12,;-11.81,-17.35,;-13.14,-18.12,;-13.14,-19.66,;-14.48,-17.35,;-15.81,-18.12,;-17.15,-17.35,;-17.54,-15.86,;-19.03,-16.26,;-20.37,-15.49,;-18.63,-17.75,;-10.48,-19.66,;-11.81,-20.43,;-9.01,-20.14,;-8.61,-21.62,;-9.7,-22.71,;-11.24,-22.71,;-11.24,-24.25,;-9.7,-24.25,;-7.34,-17.56,;-5.8,-17.56,;-4.26,-20.22,;-5.03,-21.56,;-4.26,-22.89,;-2.72,-22.89,;-1.95,-21.56,;-2.72,-20.22,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC[C@H]3C[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,16.16,wD:14.13,(17.01,-16.22,;17.78,-17.56,;19.32,-17.56,;17.01,-18.89,;16.24,-20.22,;14.7,-20.22,;13.93,-18.89,;13.03,-17.64,;11.56,-18.12,;10.23,-17.35,;8.9,-18.12,;8.9,-19.66,;7.56,-17.35,;6.23,-18.12,;4.9,-17.35,;4.5,-15.86,;3.01,-16.26,;1.68,-15.49,;3.41,-17.75,;11.56,-19.66,;10.23,-20.43,;13.03,-20.14,;13.43,-21.62,;12.34,-22.71,;10.8,-22.71,;10.8,-24.25,;12.34,-24.25,;14.7,-17.56,;16.24,-17.56,;17.78,-20.22,;17.01,-21.56,;17.78,-22.89,;19.32,-22.89,;20.09,-21.56,;19.32,-20.22,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3(O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-7.75,29.72,;-6.66,28.64,;-5.17,29.03,;-7.06,27.15,;-7.46,25.66,;-8.95,25.26,;-10.03,26.35,;-11.07,27.5,;-12.47,26.87,;-13.81,27.64,;-15.14,26.87,;-15.14,25.33,;-16.47,27.64,;-17.81,26.87,;-19.14,27.64,;-20.47,26.87,;-18.37,28.97,;-19.91,28.97,;-12.31,25.34,;-13.4,24.25,;-10.8,25.02,;-10.03,23.68,;-10.8,22.35,;-12.29,21.95,;-11.89,20.46,;-10.41,20.86,;-9.64,27.84,;-8.15,28.24,;-5.97,26.06,;-6.37,24.57,;-5.28,23.48,;-3.79,23.88,;-3.39,25.37,;-4.48,26.46,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCC(=O)N3CCOCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(19.29,30.42,;19.69,28.93,;21.18,28.54,;18.6,27.85,;17.83,26.51,;16.29,26.51,;15.52,27.85,;14.62,29.09,;13.15,28.62,;11.82,29.39,;10.49,28.62,;10.49,27.08,;9.15,29.39,;7.82,28.62,;6.49,29.39,;5.15,28.62,;5.15,27.08,;3.82,29.39,;3.82,30.93,;2.48,31.7,;1.15,30.93,;1.15,29.39,;2.48,28.62,;13.15,27.08,;11.82,26.31,;14.62,26.6,;15.02,25.11,;13.93,24.02,;12.39,24.02,;12.39,22.48,;13.93,22.48,;16.29,29.18,;17.83,29.18,;19.94,27.08,;19.94,25.54,;21.27,24.77,;22.61,25.54,;22.61,27.08,;21.27,27.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3(CC3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-7.53,16.96,;-6.76,15.63,;-5.22,15.63,;-7.53,14.3,;-8.3,12.96,;-9.84,12.96,;-10.61,14.3,;-11.51,15.54,;-12.98,15.07,;-14.31,15.84,;-15.64,15.07,;-15.64,13.53,;-16.98,15.84,;-18.31,15.07,;-19.08,13.73,;-17.54,13.73,;-19.64,15.84,;-20.98,16.61,;-12.98,13.53,;-14.31,12.76,;-11.51,13.05,;-11.11,11.56,;-12.2,10.47,;-13.74,10.47,;-13.74,8.93,;-12.2,8.93,;-9.84,15.63,;-8.3,15.63,;-6.76,12.96,;-7.53,11.63,;-6.76,10.29,;-5.22,10.29,;-4.45,11.63,;-5.22,12.96,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3CCC(O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.81,14.6,;17.21,13.11,;18.7,12.71,;16.12,12.02,;15.35,10.69,;13.81,10.69,;13.04,12.02,;12.14,13.27,;10.67,12.79,;9.34,13.56,;8.01,12.79,;8.01,11.25,;6.67,13.56,;5.34,12.79,;4,13.56,;2.6,12.93,;1.57,14.08,;2.34,15.41,;1.57,16.75,;3.84,15.09,;10.67,11.25,;9.34,10.48,;12.14,10.78,;12.54,9.29,;11.77,7.95,;10.28,7.56,;10.68,6.07,;12.16,6.47,;13.81,13.36,;15.35,13.36,;17.21,10.93,;16.81,9.44,;17.9,8.36,;19.39,8.75,;19.79,10.24,;18.7,11.33,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3CCCC[C@H]3O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,w:13.13,wU:6.24,3.2,wD:19.20,(16.34,2.71,;16.74,1.23,;18.22,.83,;15.65,.14,;14.88,-1.2,;13.34,-1.2,;12.57,.14,;11.66,1.38,;10.2,.91,;8.86,1.68,;7.53,.91,;7.53,-.63,;6.2,1.68,;4.86,.91,;3.53,1.68,;3.53,3.22,;2.19,3.99,;.86,3.22,;.86,1.68,;2.19,.91,;2.19,-.63,;10.2,-.63,;8.86,-1.4,;11.66,-1.11,;12.06,-2.6,;11.29,-3.93,;9.8,-4.33,;10.2,-5.82,;11.69,-5.42,;13.34,1.47,;14.88,1.47,;16.74,-.95,;16.34,-2.44,;17.43,-3.53,;18.91,-3.13,;19.31,-1.64,;18.22,-.55,)|
COCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:19.35,22.25,(-21.19,-11.52,;-19.86,-10.75,;-18.52,-11.52,;-17.19,-10.75,;-15.86,-11.52,;-14.52,-10.75,;-13.19,-11.52,;-11.86,-10.75,;-10.52,-11.52,;-9.19,-10.75,;-7.86,-11.52,;-6.52,-10.75,;-5.19,-11.52,;-3.85,-10.75,;-2.52,-11.52,;-2.52,-13.06,;-1.19,-10.75,;.15,-11.52,;1.61,-11.04,;2.52,-12.29,;3.61,-13.38,;5.09,-12.98,;5.49,-11.49,;4.4,-10.4,;2.91,-10.8,;5.89,-10,;4.8,-8.91,;7.38,-9.6,;6.58,-12.58,;6.18,-14.07,;7.27,-15.16,;8.76,-14.76,;9.16,-13.27,;8.07,-12.18,;1.61,-13.53,;1.61,-15.07,;.84,-16.41,;-.65,-16.81,;-.25,-18.29,;1.24,-17.9,;.15,-13.06,;-1.19,-13.83,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3(O)CCCCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-5.7,-21.19,;-5.31,-22.68,;-3.82,-23.08,;-6.39,-23.77,;-7.16,-25.1,;-8.7,-25.1,;-9.47,-23.77,;-10.38,-22.53,;-11.84,-23,;-13.18,-22.23,;-14.51,-23,;-14.51,-24.54,;-15.85,-22.23,;-17.18,-23,;-18.51,-22.23,;-18.51,-23.77,;-18.51,-20.69,;-19.85,-19.92,;-21.18,-20.69,;-21.18,-22.23,;-19.85,-23,;-11.84,-24.54,;-13.18,-25.31,;-10.38,-25.02,;-9.98,-26.5,;-10.75,-27.84,;-12.24,-28.24,;-11.84,-29.72,;-10.35,-29.33,;-8.7,-22.44,;-7.16,-22.44,;-5.31,-24.86,;-5.7,-26.35,;-4.62,-27.44,;-3.13,-27.04,;-2.73,-25.55,;-3.82,-24.46,)|
COCCOCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:22.38,25.28,(-20.53,24.94,;-19.2,24.17,;-17.86,24.94,;-16.53,24.17,;-15.19,24.94,;-13.86,24.17,;-12.53,24.94,;-11.19,24.17,;-9.86,24.94,;-8.53,24.17,;-7.19,24.94,;-5.86,24.17,;-4.52,24.94,;-3.19,24.17,;-1.86,24.94,;-.52,24.17,;.81,24.94,;2.14,24.17,;2.14,22.63,;3.48,24.94,;4.81,24.17,;6.28,24.64,;7.18,23.4,;8.27,22.31,;9.76,22.71,;10.16,24.19,;9.07,25.28,;7.58,24.88,;10.55,25.68,;9.47,26.77,;12.04,26.08,;11.24,23.11,;10.85,21.62,;11.94,20.53,;13.42,20.93,;13.82,22.41,;12.73,23.5,;6.28,22.15,;6.28,20.61,;5.51,19.28,;4.02,18.88,;4.42,17.39,;5.9,17.79,;4.81,22.63,;3.48,21.86,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-5.55,15.39,;-4.78,14.05,;-3.24,14.05,;-5.55,12.72,;-6.32,11.39,;-7.86,11.39,;-8.63,12.72,;-9.54,13.97,;-11,13.49,;-12.33,14.26,;-13.67,13.49,;-13.67,11.95,;-15,14.26,;-16.33,13.49,;-16.33,11.95,;-17.67,11.18,;-19,11.95,;-19,13.49,;-17.67,14.26,;-20.34,14.26,;-21.67,15.03,;-11,11.95,;-12.33,11.18,;-9.54,11.47,;-9.14,9.99,;-10.23,8.9,;-11.77,8.9,;-11.77,7.36,;-10.23,7.36,;-7.86,14.05,;-6.32,14.05,;-4.22,11.95,;-4.22,10.41,;-2.88,9.64,;-1.55,10.41,;-1.55,11.95,;-2.88,12.72,)|
COC(=O)c1cccnc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.33,19.23,(1.51,13.44,;2.85,14.21,;4.18,13.44,;5.51,14.21,;4.18,11.9,;2.85,11.13,;2.85,9.59,;4.18,8.82,;5.51,9.59,;5.51,11.13,;6.85,11.9,;8.18,11.13,;8.18,9.59,;9.51,11.9,;10.85,11.13,;12.31,11.6,;13.22,10.36,;13.99,9.02,;15.53,9.02,;16.3,10.36,;15.53,11.69,;13.99,11.69,;17.07,11.69,;16.3,13.03,;18.61,11.69,;17.07,9.02,;16.3,7.69,;17.07,6.36,;18.61,6.36,;19.38,7.69,;18.61,9.02,;12.31,9.11,;12.71,7.62,;11.62,6.54,;10.08,6.54,;10.08,5,;11.62,5,;10.85,9.59,;9.51,8.82,)|
COc1cccnc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(-16.52,-2.26,;-16.52,-.72,;-17.85,.05,;-19.18,-.72,;-20.52,.05,;-20.52,1.59,;-19.18,2.36,;-17.85,1.59,;-16.52,2.36,;-15.18,1.59,;-15.18,.05,;-13.85,2.36,;-12.51,1.59,;-11.05,2.07,;-10.15,.82,;-9.38,-.51,;-7.84,-.51,;-7.07,.82,;-7.84,2.16,;-9.38,2.16,;-5.98,1.91,;-6.37,3.4,;-4.49,1.51,;-5.73,.05,;-5.73,-1.49,;-4.4,-2.26,;-3.06,-1.49,;-3.06,.05,;-4.4,.82,;-11.05,-.42,;-10.65,-1.91,;-11.74,-3,;-13.28,-3,;-13.28,-4.54,;-11.74,-4.54,;-12.51,.05,;-13.85,-.72,)|
COCCOCCOCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:25.41,28.31,(-20.53,-9.84,;-19.2,-9.07,;-17.86,-9.84,;-16.53,-9.07,;-15.19,-9.84,;-13.86,-9.07,;-12.53,-9.84,;-11.19,-9.07,;-9.86,-9.84,;-8.53,-9.07,;-7.19,-9.84,;-5.86,-9.07,;-4.52,-9.84,;-3.19,-9.07,;-1.86,-9.84,;-.52,-9.07,;.81,-9.84,;2.14,-9.07,;3.48,-9.84,;4.81,-9.07,;6.14,-9.84,;6.14,-11.38,;7.48,-9.07,;8.81,-9.84,;10.28,-9.37,;11.18,-10.61,;12.27,-11.7,;13.76,-11.3,;14.16,-9.82,;13.07,-8.73,;11.58,-9.13,;14.56,-8.33,;13.47,-7.24,;16.04,-7.93,;15.25,-10.91,;14.85,-12.39,;15.94,-13.48,;17.42,-13.08,;17.82,-11.6,;16.73,-10.51,;10.28,-11.86,;10.28,-13.4,;9.51,-14.73,;8.02,-15.13,;8.42,-16.62,;9.91,-16.22,;8.81,-11.38,;7.48,-12.15,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(ccn3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-6.37,-18.83,;-5.98,-20.32,;-4.49,-20.72,;-7.07,-21.41,;-7.84,-22.74,;-9.38,-22.74,;-10.15,-21.41,;-11.05,-20.16,;-12.51,-20.64,;-13.85,-19.87,;-15.18,-20.64,;-15.18,-22.18,;-16.52,-19.87,;-17.85,-20.64,;-17.85,-22.18,;-19.18,-22.95,;-20.52,-22.18,;-20.52,-20.64,;-19.18,-19.87,;-19.18,-24.49,;-19.18,-26.03,;-12.51,-22.18,;-13.85,-22.95,;-11.05,-22.65,;-10.65,-24.14,;-11.74,-25.23,;-13.28,-25.23,;-13.28,-26.77,;-11.74,-26.77,;-9.38,-20.07,;-7.84,-20.07,;-5.73,-22.18,;-5.73,-23.72,;-4.4,-24.49,;-3.06,-23.72,;-3.06,-22.18,;-4.4,-21.41,)|
COc1cnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:12.28,15.18,(1.74,-24.49,;1.74,-22.95,;3.08,-22.18,;3.08,-20.64,;4.41,-19.87,;5.74,-20.64,;7.08,-19.87,;8.41,-20.64,;8.41,-22.18,;9.74,-19.87,;11.08,-20.64,;12.54,-20.16,;13.45,-21.41,;14.22,-22.74,;15.76,-22.74,;16.53,-21.41,;15.76,-20.07,;14.22,-20.07,;17.62,-20.32,;17.22,-18.83,;19.1,-20.72,;17.86,-22.18,;17.86,-23.72,;19.2,-24.49,;20.53,-23.72,;20.53,-22.18,;19.2,-21.41,;12.54,-22.65,;12.94,-24.14,;11.85,-25.23,;10.31,-25.23,;10.31,-26.77,;11.85,-26.77,;11.08,-22.18,;9.74,-22.95,;5.74,-22.18,;4.41,-22.95,)|
COC(=O)c1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:15.31,18.21,(-16.52,25.58,;-17.86,24.81,;-19.19,25.58,;-20.52,24.81,;-19.19,27.12,;-20.52,27.89,;-20.52,29.43,;-19.19,30.2,;-17.86,29.43,;-16.52,30.2,;-15.19,29.43,;-15.19,27.89,;-13.86,30.2,;-12.52,29.43,;-11.06,29.91,;-10.15,28.66,;-9.38,27.33,;-7.84,27.33,;-7.07,28.66,;-7.84,29.99,;-9.38,29.99,;-6.3,29.99,;-7.07,31.33,;-4.76,29.99,;-6.3,27.33,;-7.07,25.99,;-6.3,24.66,;-4.76,24.66,;-3.99,25.99,;-4.76,27.33,;-11.06,27.41,;-10.66,25.93,;-11.75,24.84,;-13.29,24.84,;-13.29,23.3,;-11.75,23.3,;-12.52,27.89,;-13.86,27.12,;-17.86,27.89,)|
COc1cc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)ccn1 |r,wU:11.27,14.17,(1.52,31.34,;1.52,29.8,;2.85,29.03,;4.18,29.8,;5.52,29.03,;6.85,29.8,;8.18,29.03,;8.18,27.49,;9.52,29.8,;10.85,29.03,;12.32,29.51,;13.22,28.26,;13.99,26.93,;15.53,26.93,;16.3,28.26,;15.53,29.59,;13.99,29.59,;17.07,29.59,;16.3,30.93,;18.61,29.59,;17.39,27.17,;16.99,25.68,;18.08,24.59,;19.57,24.99,;19.97,26.48,;18.88,27.57,;12.32,27.01,;12.72,25.53,;11.95,24.19,;10.46,23.79,;10.86,22.31,;12.34,22.71,;10.85,27.49,;9.52,26.72,;5.52,27.49,;4.18,26.72,;2.85,27.49,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(F)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.02,19.16,;-6.25,17.82,;-4.76,18.22,;-7.02,16.49,;-7.02,14.95,;-8.35,14.18,;-9.69,14.95,;-10.98,15.79,;-12.17,14.82,;-13.66,15.22,;-14.75,14.13,;-14.35,12.64,;-16.24,14.53,;-17.33,13.44,;-16.93,11.95,;-18.02,10.86,;-19.5,11.26,;-20.59,10.17,;-19.9,12.75,;-18.81,13.84,;-11.62,13.38,;-12.39,12.05,;-10.08,13.46,;-8.99,12.37,;-9.39,10.89,;-10.73,10.12,;-9.96,8.78,;-8.62,9.55,;-9.69,16.49,;-8.35,17.26,;-5.53,16.09,;-5.13,14.6,;-3.64,14.21,;-2.56,15.3,;-2.95,16.78,;-4.44,17.18,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnc(C)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.76,19.16,;17.16,17.68,;18.65,17.28,;16.07,16.59,;15.3,15.25,;13.76,15.25,;12.99,16.59,;12.09,17.83,;10.62,17.36,;9.29,18.13,;7.95,17.36,;7.95,15.82,;6.62,18.13,;5.29,17.36,;3.95,18.13,;2.62,17.36,;2.62,15.82,;1.29,15.05,;3.95,15.05,;5.29,15.82,;10.62,15.82,;9.29,15.05,;12.09,15.34,;12.49,13.85,;11.72,12.52,;10.23,12.12,;10.63,10.63,;12.11,11.03,;13.76,17.92,;15.3,17.92,;17.16,15.5,;16.76,14.01,;17.85,12.92,;19.34,13.32,;19.74,14.81,;18.65,15.9,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnc(C)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-5.28,6.41,;-4.88,4.92,;-3.39,4.52,;-5.97,3.83,;-6.74,2.5,;-8.28,2.5,;-9.05,3.83,;-9.95,5.08,;-11.42,4.6,;-12.75,5.37,;-14.09,4.6,;-14.09,3.06,;-15.42,5.37,;-16.75,4.6,;-16.75,3.06,;-18.09,2.29,;-19.42,3.06,;-20.76,2.29,;-19.42,4.6,;-18.09,5.37,;-11.42,3.06,;-12.75,2.29,;-9.95,2.59,;-9.56,1.1,;-10.33,-.23,;-11.81,-.63,;-11.42,-2.12,;-9.93,-1.72,;-8.28,5.17,;-6.74,5.17,;-4.88,2.74,;-5.28,1.26,;-4.19,.17,;-2.7,.57,;-2.3,2.05,;-3.39,3.14,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncccc3F)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(14.19,6.4,;14.96,5.07,;16.44,5.47,;14.19,3.74,;14.19,2.2,;12.85,1.43,;11.52,2.2,;10.23,3.03,;9.03,2.07,;7.54,2.46,;6.45,1.37,;6.85,-.11,;4.97,1.77,;3.88,.68,;4.28,-.8,;3.19,-1.89,;1.7,-1.49,;1.3,-.01,;2.39,1.08,;1.99,2.57,;9.58,.63,;8.81,-.71,;11.12,.71,;12.21,-.38,;11.81,-1.87,;10.48,-2.64,;11.25,-3.97,;12.58,-3.2,;11.52,3.74,;12.85,4.51,;15.67,3.34,;16.07,1.85,;17.56,1.45,;18.65,2.54,;18.25,4.03,;16.76,4.43,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncc3F)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-4.5,-8.63,;-6.04,-8.63,;-6.44,-7.14,;-7.13,-9.72,;-7.52,-11.21,;-9.01,-11.61,;-10.1,-10.52,;-11.13,-9.37,;-12.54,-10,;-13.87,-9.23,;-15.21,-10,;-15.21,-11.54,;-16.54,-9.23,;-17.87,-10,;-17.87,-11.54,;-19.21,-12.31,;-20.54,-11.54,;-20.54,-10,;-19.21,-9.23,;-19.21,-7.69,;-12.38,-11.53,;-13.47,-12.62,;-10.87,-11.85,;-10.1,-13.18,;-10.87,-14.52,;-12.36,-14.92,;-11.96,-16.4,;-10.47,-16.01,;-9.7,-9.03,;-8.22,-8.63,;-5.79,-10.49,;-5.79,-12.03,;-4.46,-12.8,;-3.13,-12.03,;-3.13,-10.49,;-4.46,-9.72,)|
COc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:15.18,12.28,(1.28,-16.04,;2.77,-16.44,;3.86,-15.35,;3.46,-13.86,;4.55,-12.77,;6.03,-13.17,;7.12,-12.08,;8.61,-12.48,;9.01,-13.97,;9.7,-11.39,;11.19,-11.79,;12.22,-10.64,;13.62,-11.27,;14.96,-12.04,;16.29,-11.27,;16.29,-9.73,;14.96,-8.96,;13.62,-9.73,;16.69,-8.24,;15.6,-7.15,;18.18,-7.84,;17.78,-10.13,;18.18,-11.62,;19.67,-12.01,;20.76,-10.93,;20.36,-9.44,;18.87,-9.04,;13.46,-12.8,;14.55,-13.89,;14.15,-15.38,;12.82,-16.15,;13.59,-17.48,;14.92,-16.71,;11.96,-13.12,;11.19,-14.46,;6.43,-14.66,;5.34,-15.75,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccnc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(-8.6,-21.01,;-7.51,-22.1,;-6.02,-21.7,;-7.91,-23.59,;-7.91,-25.13,;-9.24,-25.9,;-10.57,-25.13,;-11.98,-24.5,;-13.01,-25.65,;-14.5,-25.25,;-15.59,-26.34,;-15.19,-27.82,;-17.07,-25.94,;-18.16,-27.03,;-19.65,-26.63,;-20.74,-27.72,;-20.34,-29.21,;-18.85,-29.6,;-17.77,-28.51,;-16.28,-28.91,;-12.24,-26.98,;-13.01,-28.31,;-10.73,-26.66,;-9.65,-27.75,;-10.04,-29.24,;-11.38,-30.01,;-10.61,-31.34,;-9.27,-30.57,;-10.57,-23.59,;-9.24,-22.82,;-6.42,-23.99,;-6.02,-25.47,;-4.53,-25.87,;-3.44,-24.78,;-3.84,-23.3,;-5.33,-22.9,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(17.35,-24.39,;15.86,-23.99,;15.46,-22.51,;14.77,-25.08,;13.68,-26.17,;12.2,-25.77,;11.8,-24.28,;10.89,-23.04,;9.43,-23.51,;8.34,-22.43,;6.85,-22.82,;6.45,-24.31,;5.76,-21.74,;4.28,-22.13,;3.19,-21.04,;1.7,-21.44,;1.3,-22.93,;2.39,-24.02,;3.88,-23.62,;4.97,-24.71,;9.43,-25.05,;8.1,-25.82,;10.89,-25.53,;11.29,-27.02,;10.2,-28.11,;8.66,-28.11,;8.66,-29.65,;10.2,-29.65,;12.89,-23.2,;14.38,-23.59,;15.86,-26.17,;15.46,-27.66,;16.55,-28.75,;18.04,-28.35,;18.44,-26.86,;17.35,-25.77,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-4.52,22.18,;-6.01,22.58,;-6.41,24.07,;-7.1,21.49,;-7.87,20.16,;-9.41,20.16,;-10.18,21.49,;-11.08,22.74,;-12.55,22.26,;-13.88,23.03,;-15.21,22.26,;-15.21,20.72,;-16.55,23.03,;-17.88,22.26,;-17.88,20.72,;-19.21,19.95,;-20.55,20.72,;-20.55,22.26,;-19.21,23.03,;-19.21,24.57,;-12.55,20.72,;-13.88,19.95,;-11.08,20.25,;-10.68,18.76,;-11.45,17.42,;-12.94,17.03,;-12.54,15.54,;-11.05,15.94,;-9.41,22.82,;-7.87,22.82,;-6.01,20.4,;-6.41,18.91,;-5.32,17.83,;-3.83,18.22,;-3.43,19.71,;-4.52,20.8,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(C)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(14.12,24.55,;15.21,23.47,;16.54,24.24,;14.81,21.98,;14.81,20.44,;13.47,19.67,;12.14,20.44,;10.73,21.06,;9.7,19.92,;8.22,20.32,;7.13,19.23,;7.53,17.74,;5.64,19.63,;4.55,18.54,;4.95,17.05,;3.86,15.96,;2.37,16.36,;1.28,15.27,;1.97,17.85,;3.06,18.94,;10.47,18.59,;10.07,17.1,;11.98,18.91,;13.07,17.82,;12.67,16.33,;11.34,15.56,;12.11,14.23,;13.44,15,;12.14,21.98,;13.47,22.75,;16.3,21.58,;16.69,20.09,;18.18,19.69,;19.27,20.78,;18.87,22.27,;17.38,22.67,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(F)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(-9.14,12.44,;-8.05,11.35,;-6.63,12.17,;-8.45,9.86,;-8.45,8.32,;-9.78,7.55,;-11.12,8.32,;-12.52,8.95,;-13.55,7.8,;-15.04,8.2,;-16.13,7.11,;-15.73,5.62,;-17.62,7.51,;-18.71,6.42,;-18.31,4.93,;-19.4,3.84,;-20.89,4.24,;-21.97,3.15,;-21.28,5.73,;-20.19,6.82,;-12.78,6.47,;-13.18,4.98,;-11.28,6.79,;-10.19,5.7,;-10.59,4.21,;-11.92,3.44,;-11.15,2.11,;-9.82,2.88,;-11.12,9.86,;-9.78,10.63,;-6.96,9.46,;-6.56,7.97,;-5.08,7.57,;-3.99,8.66,;-4.39,10.15,;-5.87,10.55,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(C)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(18.81,8.11,;17.32,8.5,;16.92,9.99,;16.23,7.41,;15.14,6.33,;13.66,6.72,;13.26,8.21,;12.35,9.46,;10.89,8.98,;9.8,10.07,;8.31,9.67,;7.91,8.18,;7.22,10.76,;5.74,10.36,;5.34,8.88,;3.85,8.48,;2.76,9.57,;1.27,9.17,;3.16,11.05,;4.65,11.45,;10.89,7.44,;9.55,6.67,;12.35,6.97,;12.75,5.48,;11.66,4.39,;10.12,4.39,;10.12,2.85,;11.66,2.85,;14.35,9.3,;15.83,8.9,;17.32,6.33,;16.92,4.84,;18.01,3.75,;19.5,4.15,;19.9,5.64,;18.81,6.72,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(C)ccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(-8.6,-.92,;-7.52,-2,;-6.03,-1.61,;-7.91,-3.49,;-7.91,-5.03,;-9.25,-5.8,;-10.58,-5.03,;-11.99,-4.41,;-13.02,-5.55,;-14.51,-5.15,;-15.59,-6.24,;-15.2,-7.73,;-17.08,-5.84,;-18.17,-6.93,;-17.77,-8.42,;-18.86,-9.51,;-18.46,-11,;-20.35,-9.11,;-20.75,-7.62,;-19.66,-6.53,;-12.25,-6.88,;-12.65,-8.37,;-10.74,-6.56,;-9.65,-7.65,;-10.05,-9.14,;-11.39,-9.91,;-10.62,-11.24,;-9.28,-10.47,;-10.58,-3.49,;-9.25,-2.72,;-6.43,-3.89,;-6.03,-5.38,;-4.54,-5.78,;-3.45,-4.69,;-3.85,-3.2,;-5.34,-2.8,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(17.34,-5.74,;15.86,-5.34,;15.46,-3.85,;14.77,-6.43,;13.68,-7.52,;12.19,-7.12,;11.79,-5.63,;10.89,-4.39,;9.42,-4.86,;8.33,-3.77,;6.85,-4.17,;6.45,-5.66,;5.76,-3.08,;4.27,-3.48,;3.87,-4.97,;2.38,-5.37,;1.29,-4.28,;1.69,-2.79,;3.18,-2.39,;3.58,-.91,;9.42,-6.4,;8.09,-7.17,;10.89,-6.88,;11.28,-8.37,;10.2,-9.45,;8.66,-9.45,;8.66,-10.99,;10.2,-10.99,;12.88,-4.54,;14.37,-4.94,;15.86,-7.52,;15.46,-9.01,;16.55,-10.09,;18.03,-9.7,;18.43,-8.21,;17.34,-7.12,)|
COc1cnccc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(-16.78,-14.08,;-18.26,-14.48,;-18.66,-15.97,;-20.15,-16.37,;-20.55,-17.86,;-19.46,-18.94,;-17.97,-18.55,;-17.57,-17.06,;-16.09,-16.66,;-15,-17.75,;-15.4,-19.24,;-13.51,-17.35,;-12.42,-18.44,;-10.96,-17.96,;-10.05,-19.21,;-9.28,-20.54,;-7.74,-20.54,;-6.97,-19.21,;-7.74,-17.88,;-9.28,-17.88,;-5.88,-18.12,;-4.39,-18.52,;-6.28,-16.63,;-5.88,-20.3,;-6.28,-21.79,;-5.19,-22.87,;-3.7,-22.48,;-3.3,-20.99,;-4.39,-19.9,;-10.96,-20.45,;-10.56,-21.94,;-11.65,-23.03,;-13.19,-23.03,;-13.19,-24.57,;-11.65,-24.57,;-12.42,-19.98,;-13.75,-20.75,)|
COc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nn1 |r,wU:15.18,12.28,(1.27,-22.96,;2.76,-23.36,;3.85,-22.27,;3.45,-20.78,;4.54,-19.69,;6.03,-20.09,;7.12,-19,;8.6,-19.4,;9,-20.89,;9.69,-18.31,;11.18,-18.71,;12.21,-17.57,;13.62,-18.19,;14.95,-18.96,;16.28,-18.19,;16.28,-16.65,;14.95,-15.88,;13.62,-16.65,;16.68,-15.17,;15.59,-14.08,;18.17,-14.77,;17.77,-17.05,;18.17,-18.54,;19.66,-18.94,;20.75,-17.85,;20.35,-16.36,;18.86,-15.96,;13.46,-19.72,;14.55,-20.81,;14.15,-22.3,;12.81,-23.07,;13.58,-24.4,;14.92,-23.63,;11.95,-20.05,;11.55,-21.53,;6.43,-21.58,;5.34,-22.67,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(cn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(-2.76,30.22,;-4.25,30.62,;-4.65,32.11,;-5.34,29.53,;-6.11,28.2,;-7.65,28.2,;-8.42,29.53,;-9.32,30.78,;-10.79,30.3,;-11.88,31.39,;-13.36,30.99,;-13.76,29.5,;-14.45,32.08,;-15.94,31.68,;-16.34,30.2,;-17.83,29.8,;-18.92,30.89,;-18.52,32.37,;-17.03,32.77,;-20.4,30.49,;-20,29,;-21.89,30.09,;-20.8,31.97,;-10.79,28.76,;-12.12,27.99,;-9.32,28.29,;-8.92,26.8,;-10.01,25.71,;-11.55,25.71,;-11.55,24.17,;-10.01,24.17,;-7.65,30.87,;-6.11,30.87,;-4.25,28.44,;-4.65,26.96,;-3.56,25.87,;-2.07,26.27,;-1.67,27.75,;-2.76,28.84,)|
COc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:15.18,12.28,(1.28,22.05,;2.77,21.65,;3.86,22.74,;5.35,22.34,;6.44,23.43,;6.04,24.91,;7.13,26,;8.61,25.61,;9.01,24.12,;9.7,26.69,;11.19,26.3,;12.22,27.44,;13.63,26.81,;14.96,26.04,;16.3,26.81,;16.3,28.35,;14.96,29.12,;13.63,28.35,;16.69,29.84,;15.6,30.93,;18.18,30.24,;17.78,27.96,;18.18,26.47,;19.67,26.07,;20.76,27.16,;20.36,28.65,;18.87,29.04,;13.47,25.28,;14.56,24.19,;14.16,22.71,;12.82,21.94,;13.59,20.6,;14.93,21.37,;11.96,24.96,;11.56,23.47,;4.55,25.31,;3.46,24.22,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(nc3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(-2.33,16.73,;-3.82,17.13,;-4.22,18.62,;-4.91,16.04,;-5.68,14.71,;-7.22,14.71,;-7.99,16.04,;-8.89,17.29,;-10.36,16.81,;-11.45,17.9,;-12.93,17.5,;-13.33,16.01,;-14.02,18.59,;-15.51,18.19,;-16.6,19.28,;-18.09,18.88,;-18.49,17.39,;-17.4,16.3,;-15.91,16.7,;-19.97,16.99,;-19.58,15.51,;-21.46,16.6,;-20.37,18.48,;-10.36,15.27,;-11.69,14.5,;-8.89,14.79,;-8.49,13.31,;-9.58,12.22,;-11.12,12.22,;-11.12,10.68,;-9.58,10.68,;-7.22,17.37,;-5.68,17.37,;-3.82,14.95,;-4.22,13.46,;-3.13,12.37,;-1.64,12.77,;-1.24,14.26,;-2.33,15.35,)|
COc1cncc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:16.19,13.29,(1.3,13.68,;1.7,12.19,;3.19,11.79,;3.59,10.31,;5.07,9.91,;6.16,11,;5.76,12.48,;6.85,13.57,;8.34,13.17,;8.74,11.69,;9.43,14.26,;10.92,13.86,;11.95,15.01,;13.35,14.38,;14.69,13.61,;16.02,14.38,;16.02,15.92,;14.69,16.69,;13.35,15.92,;16.42,17.41,;15.33,18.5,;17.91,17.81,;17.51,15.52,;17.91,14.04,;19.39,13.64,;20.48,14.73,;20.08,16.21,;18.6,16.61,;13.19,12.85,;14.28,11.76,;13.88,10.27,;12.55,9.5,;13.32,8.17,;14.65,8.94,;11.69,12.53,;11.29,11.04,;4.28,12.88,)|
COc1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:13.29,16.19,(-20.76,.36,;-19.27,.75,;-18.87,2.24,;-19.96,3.33,;-19.56,4.82,;-18.07,5.22,;-16.99,4.13,;-15.5,4.53,;-14.41,3.44,;-14.81,1.95,;-12.92,3.84,;-11.83,2.75,;-10.37,3.22,;-9.46,1.98,;-8.69,.64,;-7.15,.64,;-6.38,1.98,;-7.15,3.31,;-8.69,3.31,;-5.29,3.07,;-3.81,2.67,;-5.69,4.55,;-5.29,.89,;-5.69,-.6,;-4.6,-1.69,;-3.12,-1.29,;-2.72,.2,;-3.81,1.29,;-10.37,.73,;-9.97,-.76,;-11.06,-1.84,;-12.6,-1.84,;-12.6,-3.38,;-11.06,-3.38,;-11.83,1.21,;-13.17,.44,;-17.38,2.64,)|
COc1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(1.28,.36,;2.77,.75,;3.17,2.24,;2.08,3.33,;2.48,4.82,;3.97,5.22,;5.06,4.13,;6.54,4.53,;7.63,3.44,;7.23,1.95,;9.12,3.84,;10.21,2.75,;11.67,3.22,;12.58,1.98,;13.35,.64,;14.89,.64,;15.66,1.98,;14.89,3.31,;13.35,3.31,;16.75,3.07,;18.23,2.67,;16.35,4.55,;16.75,.89,;16.35,-.6,;17.44,-1.69,;18.93,-1.29,;19.32,.2,;18.23,1.29,;11.67,.73,;12.07,-.76,;10.98,-1.84,;9.44,-1.84,;9.44,-3.38,;10.98,-3.38,;10.21,1.21,;8.87,.44,;4.66,2.64,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cnco3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(-6.99,-7.71,;-5.91,-8.8,;-4.42,-8.4,;-6.3,-10.29,;-6.3,-11.83,;-7.64,-12.6,;-8.97,-11.83,;-10.38,-11.2,;-11.41,-12.34,;-12.9,-11.95,;-13.99,-13.04,;-13.59,-14.52,;-15.47,-12.64,;-16.56,-13.73,;-18.05,-13.33,;-19.25,-14.3,;-20.54,-13.46,;-20.14,-11.97,;-18.6,-11.89,;-10.64,-13.68,;-11.04,-15.17,;-9.13,-13.36,;-8.04,-14.45,;-8.44,-15.93,;-9.78,-16.7,;-9.01,-18.04,;-7.67,-17.27,;-8.97,-10.29,;-7.64,-9.52,;-4.82,-10.69,;-4.42,-12.17,;-2.93,-12.57,;-1.84,-11.48,;-2.24,-9.99,;-3.73,-9.6,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ncco3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(14.85,-7.71,;15.94,-8.8,;17.43,-8.4,;15.54,-10.29,;15.54,-11.83,;14.21,-12.6,;12.87,-11.83,;11.47,-11.2,;10.44,-12.34,;8.95,-11.95,;7.86,-13.04,;8.26,-14.52,;6.37,-12.64,;5.28,-13.73,;3.8,-13.33,;3.32,-11.86,;1.78,-11.86,;1.31,-13.33,;2.55,-14.23,;11.21,-13.68,;10.81,-15.17,;12.71,-13.36,;13.8,-14.45,;13.4,-15.93,;12.07,-16.7,;12.84,-18.04,;14.17,-17.27,;12.87,-10.29,;14.21,-9.52,;17.03,-10.69,;17.43,-12.17,;18.92,-12.57,;20,-11.48,;19.61,-9.99,;18.12,-9.6,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CC[C@H](O)[C@@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,17.17,wD:15.15,(-7.09,-20.6,;-6,-21.69,;-4.52,-21.29,;-6.4,-23.18,;-6.4,-24.72,;-7.74,-25.49,;-9.07,-24.72,;-10.48,-24.09,;-11.51,-25.24,;-13,-24.84,;-14.08,-25.93,;-13.69,-27.41,;-15.57,-25.53,;-16.66,-26.62,;-18.15,-26.22,;-18.55,-24.73,;-20.03,-24.33,;-17.46,-23.64,;-17.86,-22.15,;-15.97,-24.04,;-10.74,-26.57,;-11.14,-28.06,;-9.23,-26.25,;-8.14,-27.34,;-8.54,-28.83,;-9.87,-29.6,;-9.1,-30.93,;-7.77,-30.16,;-9.07,-23.18,;-7.74,-22.41,;-4.92,-23.58,;-4.52,-25.06,;-3.03,-25.46,;-1.94,-24.37,;-2.34,-22.89,;-3.83,-22.49,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3C[C@H](O)[C@@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,14.14,wD:16.16,(14.24,-20.6,;15.33,-21.69,;16.82,-21.29,;14.93,-23.18,;14.93,-24.72,;13.6,-25.49,;12.26,-24.72,;10.86,-24.09,;9.83,-25.24,;8.34,-24.84,;7.25,-25.93,;7.65,-27.41,;5.76,-25.53,;5.01,-24.19,;3.5,-24.51,;2.41,-23.43,;3.34,-26.05,;2.01,-26.82,;4.75,-26.67,;10.6,-26.57,;10.2,-28.06,;12.1,-26.25,;13.19,-27.34,;12.79,-28.83,;11.46,-29.6,;12.23,-30.93,;13.56,-30.16,;12.26,-23.18,;13.6,-22.41,;16.42,-23.58,;16.82,-25.06,;18.3,-25.46,;19.39,-24.37,;18.99,-22.89,;17.51,-22.49,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3C[C@H](O)[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,14.14,16.16,(-8.02,26.13,;-6.93,25.04,;-5.44,25.44,;-7.33,23.55,;-7.33,22.01,;-8.66,21.24,;-9.99,22.01,;-11.4,22.64,;-12.43,21.49,;-13.92,21.89,;-15.01,20.8,;-14.61,19.32,;-16.5,21.2,;-17.25,22.54,;-18.76,22.22,;-19.84,23.3,;-18.92,20.68,;-20.25,19.91,;-17.51,20.06,;-11.66,20.16,;-12.06,18.67,;-10.16,20.48,;-9.07,19.39,;-9.47,17.9,;-10.8,17.13,;-10.03,15.8,;-8.7,16.57,;-9.99,23.55,;-8.66,24.32,;-5.84,23.15,;-5.44,21.67,;-3.95,21.27,;-2.86,22.36,;-3.26,23.84,;-4.75,24.24,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.19,(12.16,26.13,;13.25,25.04,;14.74,25.44,;12.85,23.55,;12.85,22.01,;11.52,21.24,;10.19,22.01,;8.78,22.64,;7.75,21.49,;6.26,21.89,;5.17,20.8,;5.57,19.32,;3.68,21.2,;2.59,20.11,;1.11,19.71,;2.2,18.63,;8.52,20.16,;8.12,18.67,;10.02,20.48,;11.11,19.39,;10.71,17.9,;9.38,17.13,;10.15,15.8,;11.48,16.57,;10.19,23.55,;11.52,24.32,;14.34,23.15,;14.74,21.67,;16.23,21.27,;17.32,22.36,;16.92,23.84,;15.43,24.24,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-4.22,10.12,;-5.71,10.52,;-6.11,12.01,;-6.8,9.43,;-7.57,8.1,;-9.11,8.1,;-9.88,9.43,;-10.78,10.68,;-12.25,10.2,;-13.58,10.97,;-14.92,10.2,;-14.92,8.66,;-16.25,10.97,;-16.25,12.51,;-17.58,10.2,;-18.92,10.97,;-20.25,10.2,;-12.25,8.66,;-13.58,7.89,;-10.78,8.18,;-10.01,6.85,;-10.78,5.52,;-12.27,5.12,;-11.87,3.63,;-10.39,4.03,;-9.11,10.76,;-7.57,10.76,;-5.71,8.34,;-6.11,6.85,;-5.02,5.76,;-3.53,6.16,;-3.13,7.65,;-4.22,8.74,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCCC(O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(13.93,12.49,;15.02,11.4,;16.51,11.8,;14.62,9.92,;14.62,8.38,;13.29,7.61,;11.96,8.38,;10.55,9,;9.52,7.86,;8.03,8.26,;6.94,7.17,;7.34,5.68,;5.46,7.57,;5.06,9.05,;3.57,9.45,;2.48,8.36,;2.88,6.88,;1.79,5.79,;4.37,6.48,;10.29,6.52,;9.89,5.04,;11.8,6.84,;12.89,5.76,;12.49,4.27,;11.15,3.5,;11.92,2.16,;13.26,2.93,;11.96,9.92,;13.29,10.69,;16.11,9.52,;16.51,8.03,;18,7.63,;19.09,8.72,;18.69,10.21,;17.2,10.61,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3(O)CCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(-8.41,-1.63,;-7.32,-2.72,;-5.83,-2.32,;-7.72,-4.21,;-7.72,-5.75,;-9.05,-6.52,;-10.39,-5.75,;-11.79,-5.12,;-12.82,-6.27,;-14.31,-5.87,;-15.4,-6.96,;-15,-8.45,;-16.89,-6.56,;-17.98,-7.65,;-19.46,-7.25,;-19.86,-8.74,;-19.06,-5.76,;-20.55,-5.36,;-20.95,-6.85,;-12.05,-7.6,;-12.45,-9.09,;-10.55,-7.28,;-9.46,-8.37,;-9.86,-9.86,;-11.19,-10.63,;-10.42,-11.96,;-9.09,-11.19,;-10.39,-4.21,;-9.05,-3.44,;-6.23,-4.61,;-5.83,-6.1,;-4.34,-6.49,;-3.26,-5.4,;-3.65,-3.92,;-5.14,-3.52,)|
CN(C)C(=O)CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.18,12.28,(1.07,-7.94,;2.55,-8.34,;2.95,-9.83,;3.64,-7.25,;3.25,-5.76,;5.13,-7.65,;6.22,-6.56,;7.71,-6.96,;8.11,-8.45,;8.8,-5.87,;10.28,-6.27,;11.31,-5.12,;12.72,-5.75,;14.06,-6.52,;15.39,-5.75,;15.39,-4.21,;14.06,-3.44,;12.72,-4.21,;15.79,-2.72,;14.7,-1.63,;17.27,-2.32,;16.88,-4.61,;17.27,-6.1,;18.76,-6.49,;19.85,-5.4,;19.45,-3.92,;17.97,-3.52,;12.56,-7.28,;13.65,-8.37,;13.25,-9.86,;11.92,-10.63,;12.69,-11.96,;14.02,-11.19,;11.05,-7.6,;10.66,-9.09,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCn4ncnc4C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.25,(-7.75,-15.8,;-6.66,-16.89,;-5.17,-16.49,;-7.06,-18.38,;-7.06,-19.92,;-8.39,-20.69,;-9.72,-19.92,;-11.13,-19.29,;-12.16,-20.43,;-13.65,-20.04,;-14.74,-21.13,;-14.34,-22.61,;-16.23,-20.73,;-17.13,-21.97,;-18.66,-21.81,;-19.29,-20.4,;-20.75,-19.93,;-20.75,-18.39,;-19.29,-17.91,;-18.38,-19.16,;-16.85,-19.32,;-11.39,-21.77,;-11.79,-23.26,;-9.89,-21.45,;-8.8,-22.54,;-9.2,-24.02,;-10.53,-24.79,;-9.76,-26.13,;-8.43,-25.36,;-9.72,-18.38,;-8.39,-17.61,;-5.57,-18.78,;-5.17,-20.26,;-3.68,-20.66,;-2.6,-19.57,;-2.99,-18.08,;-4.48,-17.69,)|
CN(C)C(=O)CCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.19,13.29,(1.08,-23.2,;2.17,-22.11,;1.77,-20.62,;3.65,-22.51,;4.05,-23.99,;4.74,-21.42,;6.23,-21.82,;7.32,-20.73,;8.81,-21.13,;9.21,-22.61,;9.9,-20.04,;11.38,-20.43,;12.41,-19.29,;13.82,-19.92,;15.15,-20.69,;16.49,-19.92,;16.49,-18.38,;15.15,-17.61,;13.82,-18.38,;16.89,-16.89,;15.8,-15.8,;18.37,-16.49,;17.98,-18.78,;18.37,-20.26,;19.86,-20.66,;20.95,-19.57,;20.55,-18.08,;19.06,-17.69,;13.66,-21.45,;14.75,-22.54,;14.35,-24.02,;13.02,-24.79,;13.79,-26.13,;15.12,-25.36,;12.15,-21.77,;11.76,-23.26,)|
COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:31.47,34.37,(-23.18,27.98,;-21.84,28.75,;-20.51,27.98,;-19.18,28.75,;-17.84,27.98,;-16.51,28.75,;-15.17,27.98,;-13.84,28.75,;-12.51,27.98,;-11.17,28.75,;-9.84,27.98,;-8.51,28.75,;-7.17,27.98,;-5.84,28.75,;-4.51,27.98,;-3.17,28.75,;-1.84,27.98,;-.5,28.75,;.83,27.98,;2.16,28.75,;3.5,27.98,;4.83,28.75,;6.16,27.98,;7.5,28.75,;8.83,27.98,;10.17,28.75,;11.5,27.98,;11.5,26.44,;12.83,28.75,;14.17,27.98,;15.63,28.46,;16.54,27.21,;17.63,26.12,;19.11,26.52,;19.51,28.01,;18.42,29.1,;16.94,28.7,;19.91,29.5,;18.82,30.59,;21.4,29.9,;20.6,26.92,;20.2,25.43,;21.29,24.34,;22.78,24.74,;23.18,26.23,;22.09,27.32,;15.63,25.97,;15.63,24.43,;14.86,23.09,;13.37,22.69,;13.77,21.21,;15.26,21.61,;14.17,26.44,;12.83,25.67,)|
COc1ncncc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(-21.23,16.27,;-19.9,15.5,;-19.9,13.96,;-21.23,13.19,;-21.23,11.65,;-19.9,10.88,;-18.57,11.65,;-18.57,13.19,;-17.23,13.96,;-15.9,13.19,;-15.9,11.65,;-14.56,13.96,;-13.23,13.19,;-11.77,13.67,;-10.86,12.42,;-10.09,11.09,;-8.55,11.09,;-7.78,12.42,;-8.55,13.76,;-10.09,13.76,;-6.69,13.51,;-5.2,13.11,;-7.09,15,;-6.45,11.65,;-6.45,10.11,;-5.11,9.34,;-3.78,10.11,;-3.78,11.65,;-5.11,12.42,;-11.77,11.18,;-11.37,9.69,;-12.46,8.6,;-14,8.6,;-14,7.06,;-12.46,7.06,;-13.23,11.65,;-14.56,10.88,)|
COc1ncc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:12.28,15.18,(.82,10.63,;.82,12.17,;2.16,12.94,;3.49,12.17,;4.83,12.94,;4.83,14.48,;6.16,15.25,;7.49,14.48,;7.49,12.94,;8.83,15.25,;10.16,14.48,;11.62,14.96,;12.53,13.71,;13.3,12.38,;14.84,12.38,;15.61,13.71,;14.84,15.05,;13.3,15.05,;16.7,14.8,;18.19,14.4,;16.3,16.29,;16.94,12.94,;16.94,11.4,;18.28,10.63,;19.61,11.4,;19.61,12.94,;18.28,13.71,;11.62,12.47,;12.02,10.98,;10.93,9.89,;9.39,9.89,;9.39,8.35,;10.93,8.35,;10.16,12.94,;8.83,12.17,;3.49,15.25,;2.16,14.48,)|
CCOC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:8.24,11.14,(-21.45,2.14,;-20.11,1.37,;-18.78,2.14,;-17.45,1.37,;-17.45,-.17,;-16.11,2.14,;-14.78,1.37,;-13.31,1.85,;-12.41,.6,;-11.64,-.73,;-10.1,-.73,;-9.33,.6,;-10.1,1.94,;-11.64,1.94,;-8.56,1.94,;-7.02,1.94,;-9.33,3.27,;-8.56,-.73,;-9.33,-2.07,;-8.56,-3.4,;-7.02,-3.4,;-6.25,-2.07,;-7.02,-.73,;-13.31,-.64,;-12.54,-1.98,;-13.31,-3.31,;-14.8,-3.71,;-14.4,-5.2,;-12.92,-4.8,;-14.78,-.17,;-16.11,-.94,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(cn3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(19.5,1.39,;18.02,1.79,;17.62,3.28,;16.93,.7,;16.16,-.64,;14.62,-.64,;13.85,.7,;12.94,1.94,;11.48,1.47,;10.14,2.24,;8.81,1.47,;8.81,-.07,;7.48,2.24,;6.14,1.47,;6.14,-.07,;4.81,-.84,;3.48,-.07,;3.48,1.47,;4.81,2.24,;2.14,-.84,;.81,-1.61,;11.48,-.07,;10.14,-.84,;12.94,-.55,;13.34,-2.03,;12.25,-3.12,;10.71,-3.12,;10.71,-4.66,;12.25,-4.66,;14.62,2.03,;16.16,2.03,;18.26,-.07,;18.26,-1.61,;19.6,-2.38,;20.93,-1.61,;20.93,-.07,;19.6,.7,)|
CNC(=O)c1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:15.31,18.21,(-21.14,-14.52,;-20.75,-13.04,;-19.26,-12.64,;-18.17,-13.73,;-18.86,-11.15,;-19.95,-10.06,;-19.55,-8.57,;-18.06,-8.17,;-16.97,-9.26,;-15.49,-8.86,;-14.4,-9.95,;-14.79,-11.44,;-12.91,-9.56,;-11.82,-10.64,;-10.36,-10.17,;-9.45,-11.41,;-8.68,-12.75,;-7.14,-12.75,;-6.37,-11.41,;-7.14,-10.08,;-8.68,-10.08,;-5.6,-10.08,;-4.06,-10.08,;-6.37,-8.75,;-5.6,-12.75,;-6.37,-14.08,;-5.6,-15.42,;-4.06,-15.42,;-3.29,-14.08,;-4.06,-12.75,;-10.36,-12.66,;-9.96,-14.15,;-11.05,-15.24,;-12.59,-15.24,;-12.59,-16.78,;-11.05,-16.78,;-11.82,-12.18,;-13.15,-12.95,;-17.37,-10.75,)|
COc1cncnc1NC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.31,17.21,(.81,-7.97,;2.14,-8.74,;2.14,-10.28,;.81,-11.05,;.81,-12.59,;2.14,-13.36,;3.48,-12.59,;3.48,-11.05,;4.81,-10.28,;6.14,-11.05,;6.14,-12.59,;7.48,-10.28,;8.81,-11.05,;10.28,-10.58,;11.18,-11.82,;11.95,-13.16,;13.49,-13.16,;14.26,-11.82,;13.49,-10.49,;11.95,-10.49,;15.35,-10.73,;16.84,-11.13,;14.95,-9.24,;15.59,-12.59,;15.59,-14.13,;16.93,-14.9,;18.26,-14.13,;18.26,-12.59,;16.93,-11.82,;10.28,-13.07,;10.67,-14.55,;9.58,-15.64,;8.04,-15.64,;8.04,-17.18,;9.58,-17.18,;8.81,-12.59,;7.48,-13.36,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnc(nc3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-2.1,-22.25,;-3.59,-21.85,;-3.99,-20.36,;-4.68,-22.94,;-5.45,-24.28,;-6.99,-24.28,;-7.76,-22.94,;-8.67,-21.7,;-10.13,-22.17,;-11.22,-21.08,;-12.71,-21.48,;-13.1,-22.97,;-13.8,-20.39,;-15.28,-20.79,;-16.37,-19.7,;-17.86,-20.1,;-18.26,-21.59,;-17.17,-22.68,;-15.68,-22.28,;-19.75,-21.99,;-21.23,-22.38,;-10.13,-23.71,;-11.46,-24.48,;-8.67,-24.19,;-8.27,-25.67,;-9.36,-26.76,;-10.9,-26.76,;-10.9,-28.3,;-9.36,-28.3,;-6.99,-21.61,;-5.45,-21.61,;-3.91,-24.28,;-4.68,-25.61,;-3.91,-26.94,;-2.37,-26.94,;-1.6,-25.61,;-2.37,-24.28,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(20.47,-25.11,;18.98,-24.71,;18.58,-23.22,;17.89,-25.8,;17.12,-27.13,;15.58,-27.13,;14.81,-25.8,;13.9,-24.55,;12.44,-25.03,;11.11,-24.26,;9.77,-25.03,;9.77,-26.57,;8.44,-24.26,;7.1,-25.03,;7.1,-26.57,;5.77,-27.34,;4.44,-26.57,;4.44,-25.03,;5.77,-24.26,;3.1,-24.26,;1.77,-25.03,;3.1,-22.72,;12.44,-26.57,;11.11,-27.34,;13.9,-27.05,;14.3,-28.53,;13.21,-29.62,;11.67,-29.62,;11.67,-31.16,;13.21,-31.16,;15.58,-24.47,;17.12,-24.47,;19.22,-26.57,;19.22,-28.11,;20.56,-28.88,;21.89,-28.11,;21.89,-26.57,;20.56,-25.8,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncccc3C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-4.6,27.8,;-6.08,28.2,;-6.48,29.69,;-7.17,27.11,;-7.94,25.78,;-9.48,25.78,;-10.25,27.11,;-11.16,28.36,;-12.62,27.88,;-13.96,28.65,;-15.29,27.88,;-15.29,26.34,;-16.62,28.65,;-17.96,27.88,;-17.96,26.34,;-19.29,25.57,;-20.62,26.34,;-20.62,27.88,;-19.29,28.65,;-19.29,30.19,;-19.29,31.73,;-12.62,26.34,;-13.96,25.57,;-11.16,25.87,;-10.76,24.38,;-11.85,23.29,;-13.39,23.29,;-13.39,21.75,;-11.85,21.75,;-9.48,28.45,;-7.94,28.45,;-5.84,26.34,;-5.84,24.8,;-4.5,24.03,;-3.17,24.8,;-3.17,26.34,;-4.5,27.11,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(18.12,29.98,;16.58,29.98,;15.81,31.31,;15.81,28.65,;15.04,27.31,;13.5,27.31,;12.73,28.65,;11.83,29.89,;10.36,29.42,;9.03,30.19,;7.69,29.42,;7.3,27.93,;6.36,30.19,;5.03,29.42,;3.69,30.19,;2.36,29.42,;3.69,31.73,;10.36,27.88,;9.03,27.11,;11.83,27.4,;12.23,25.91,;11.14,24.82,;9.6,24.82,;9.6,23.28,;11.14,23.28,;13.5,29.98,;15.04,29.98,;16.58,27.31,;15.81,25.98,;16.58,24.65,;18.12,24.65,;18.89,25.98,;18.12,27.31,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(cn3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-.99,16.68,;-2.47,17.08,;-2.87,18.57,;-3.56,15.99,;-4.33,14.66,;-5.87,14.66,;-6.64,15.99,;-7.55,17.24,;-9.01,16.76,;-10.35,17.53,;-11.68,16.76,;-11.68,15.22,;-13.01,17.53,;-14.35,16.76,;-14.35,15.22,;-15.68,14.45,;-17.01,15.22,;-17.01,16.76,;-15.68,17.53,;-18.35,14.45,;-19.68,15.22,;-18.35,12.91,;-9.01,15.22,;-10.35,14.45,;-7.55,14.74,;-7.15,13.26,;-8.24,12.17,;-9.78,12.17,;-9.78,10.63,;-8.24,10.63,;-5.87,17.32,;-4.33,17.32,;-2.23,15.22,;-2.23,13.68,;-.89,12.91,;.44,13.68,;.44,15.22,;-.89,15.99,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3nccc(n3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(19.55,14.02,;18.07,14.42,;17.67,15.91,;16.98,13.33,;16.21,12,;14.67,12,;13.9,13.33,;12.99,14.58,;11.53,14.1,;10.44,15.19,;8.95,14.79,;8.55,13.3,;7.86,15.88,;6.37,15.48,;5.98,13.99,;4.49,13.59,;3.4,14.68,;3.8,16.17,;5.28,16.57,;2.71,17.26,;1.62,18.35,;11.53,12.56,;10.19,11.79,;12.99,12.08,;13.39,10.6,;12.3,9.51,;10.76,9.51,;10.76,7.97,;12.3,7.97,;14.67,14.66,;16.21,14.66,;18.07,12.24,;17.67,10.75,;18.76,9.66,;20.24,10.06,;20.64,11.55,;19.55,12.64,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3nncs3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-8.99,5.68,;-7.9,4.59,;-6.41,4.99,;-8.3,3.1,;-8.3,1.56,;-9.63,.79,;-10.96,1.56,;-12.25,2.4,;-13.45,1.43,;-14.94,1.83,;-16.03,.74,;-15.63,-.74,;-17.52,1.14,;-18.6,.05,;-18.13,-1.41,;-19.37,-2.32,;-20.62,-1.41,;-20.14,.05,;-12.9,-0,;-13.67,-1.34,;-11.36,.08,;-10.27,-1.01,;-10.67,-2.5,;-12,-3.27,;-11.23,-4.6,;-9.9,-3.83,;-10.96,3.1,;-9.63,3.87,;-6.81,2.7,;-6.41,1.22,;-4.92,.82,;-3.83,1.91,;-4.23,3.4,;-5.72,3.79,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3nccs3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(13.06,5.68,;14.14,4.59,;15.63,4.99,;13.75,3.1,;13.75,1.56,;12.41,.79,;11.08,1.56,;9.79,2.4,;8.59,1.43,;7.1,1.83,;6.01,.74,;6.41,-.74,;4.53,1.14,;3.44,.05,;1.9,.05,;1.42,-1.41,;2.67,-2.32,;3.91,-1.41,;9.14,-0,;8.37,-1.34,;10.68,.08,;11.77,-1.01,;11.37,-2.5,;10.04,-3.27,;10.81,-4.6,;12.14,-3.83,;11.08,3.1,;12.41,3.87,;15.23,2.7,;15.63,1.22,;17.12,.82,;18.21,1.91,;17.81,3.4,;16.32,3.79,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(C)on3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-7.52,-7.57,;-6.43,-8.66,;-4.94,-8.26,;-6.83,-10.15,;-6.83,-11.69,;-8.16,-12.46,;-9.5,-11.69,;-10.79,-10.85,;-11.99,-11.82,;-13.47,-11.42,;-14.56,-12.51,;-14.16,-14,;-16.05,-12.11,;-17.14,-13.2,;-18.68,-13.2,;-19.15,-14.66,;-20.64,-15.06,;-17.91,-15.57,;-16.66,-14.66,;-11.43,-13.26,;-12.2,-14.59,;-9.9,-13.18,;-8.81,-14.26,;-9.21,-15.75,;-10.54,-16.52,;-9.77,-17.86,;-8.44,-17.09,;-9.5,-10.15,;-8.16,-9.38,;-5.34,-10.55,;-4.94,-12.03,;-3.46,-12.43,;-2.37,-11.34,;-2.77,-9.86,;-4.25,-9.46,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccon3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(13.27,-7.57,;14.36,-8.66,;15.85,-8.26,;13.96,-10.15,;13.96,-11.69,;12.63,-12.46,;11.29,-11.69,;10,-10.85,;8.8,-11.82,;7.32,-11.42,;6.23,-12.51,;6.63,-14,;4.74,-12.11,;3.65,-13.2,;4.13,-14.66,;2.88,-15.57,;1.64,-14.66,;2.11,-13.2,;9.36,-13.26,;8.59,-14.59,;10.89,-13.18,;11.98,-14.26,;11.58,-15.75,;10.25,-16.52,;11.02,-17.86,;12.35,-17.09,;11.29,-10.15,;12.63,-9.38,;15.45,-10.55,;15.85,-12.03,;17.33,-12.43,;18.42,-11.34,;18.02,-9.86,;16.54,-9.46,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccn(C)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-8.99,-21.45,;-7.9,-22.54,;-6.41,-22.14,;-8.3,-24.02,;-8.3,-25.56,;-9.63,-26.33,;-10.96,-25.56,;-12.25,-24.72,;-13.45,-25.69,;-14.94,-25.3,;-16.03,-26.38,;-15.63,-27.87,;-17.52,-25.99,;-18.6,-27.07,;-20.14,-27.07,;-20.62,-28.54,;-19.37,-29.44,;-19.37,-30.98,;-18.13,-28.54,;-12.9,-27.13,;-13.67,-28.47,;-11.36,-27.05,;-10.27,-28.14,;-10.67,-29.63,;-12,-30.4,;-11.23,-31.73,;-9.9,-30.96,;-10.96,-24.02,;-9.63,-23.25,;-6.81,-24.42,;-6.41,-25.91,;-4.92,-26.31,;-3.83,-25.22,;-4.23,-23.73,;-5.72,-23.33,)|
CSc1[nH]nc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1C#N |r,wU:15.18,12.28,(19.85,-25.97,;18.31,-25.97,;17.54,-27.3,;18.17,-28.71,;17.02,-29.74,;15.69,-28.97,;14.2,-29.37,;13.11,-28.28,;13.51,-26.79,;11.62,-28.68,;10.54,-27.59,;9.07,-28.06,;8.17,-26.82,;7.4,-25.48,;5.86,-25.48,;5.09,-26.82,;5.86,-28.15,;7.4,-28.15,;4,-27.91,;2.51,-27.51,;4.39,-29.39,;4,-25.73,;4.39,-24.24,;3.31,-23.15,;1.82,-23.55,;1.42,-25.04,;2.51,-26.13,;9.07,-25.57,;8.67,-24.08,;9.76,-22.99,;11.3,-22.99,;11.3,-21.45,;9.76,-21.45,;10.54,-26.05,;11.62,-24.96,;16.01,-27.46,;15.24,-26.13,;13.7,-26.13,)|
COc1cnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:12.28,15.18,(-20.75,22.75,;-19.26,22.36,;-18.17,23.44,;-16.68,23.05,;-15.59,24.13,;-15.99,25.62,;-14.9,26.71,;-13.42,26.31,;-13.02,24.82,;-12.33,27.4,;-10.84,27,;-9.64,27.97,;-8.35,27.13,;-7.02,26.36,;-5.68,27.13,;-5.68,28.67,;-7.02,29.44,;-8.35,28.67,;-5.29,30.16,;-6.37,31.25,;-3.8,30.56,;-4.2,28.27,;-3.8,26.79,;-2.31,26.39,;-1.22,27.48,;-1.62,28.96,;-3.11,29.36,;-8.75,25.65,;-7.66,24.56,;-8.06,23.07,;-9.39,22.3,;-8.62,20.97,;-7.29,21.74,;-10.29,25.57,;-11.06,24.23,;-17.48,26.02,;-18.57,24.93,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ccnnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(6.47,20.95,;5.38,22.04,;3.89,21.64,;5.78,23.53,;5.78,25.07,;7.11,25.84,;8.44,25.07,;9.74,24.23,;10.93,25.2,;12.42,24.8,;13.51,25.89,;13.11,27.37,;15,25.49,;16.09,26.58,;17.57,26.18,;18.66,27.27,;20.15,26.87,;20.55,25.38,;19.46,24.29,;17.97,24.69,;10.38,26.63,;11.15,27.97,;8.84,26.55,;7.75,27.64,;8.15,29.13,;9.49,29.9,;8.72,31.23,;7.38,30.46,;8.44,23.53,;7.11,22.76,;4.29,23.92,;3.89,25.41,;2.4,25.81,;1.31,24.72,;1.71,23.23,;3.2,22.84,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ccccc3O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-6.65,17.89,;-5.56,16.8,;-4.07,17.2,;-5.96,15.31,;-5.96,13.77,;-7.29,13,;-8.62,13.77,;-9.91,14.61,;-11.11,13.64,;-12.6,14.04,;-13.69,12.95,;-13.29,11.47,;-15.18,13.35,;-16.26,12.26,;-17.75,12.66,;-18.84,11.57,;-20.33,11.97,;-20.73,13.46,;-19.64,14.55,;-18.15,14.15,;-17.06,15.24,;-10.56,12.21,;-11.33,10.87,;-9.02,12.29,;-7.93,11.2,;-8.33,9.71,;-9.67,8.94,;-8.9,7.61,;-7.56,8.38,;-8.62,15.31,;-7.29,16.08,;-4.47,14.92,;-4.07,13.43,;-2.58,13.03,;-1.49,14.12,;-1.89,15.61,;-3.38,16,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cn(C)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.59,17.89,;16.68,16.8,;18.17,17.2,;16.28,15.31,;16.28,13.77,;14.95,13,;13.61,13.77,;12.32,14.61,;11.12,13.64,;9.64,14.04,;8.55,12.95,;8.95,11.47,;7.06,13.35,;5.97,12.26,;4.48,12.66,;3.93,14.1,;2.39,14.02,;1.3,15.11,;1.99,12.53,;3.29,11.69,;11.68,12.21,;10.91,10.87,;13.21,12.29,;14.3,11.2,;13.9,9.71,;12.57,8.94,;13.34,7.61,;14.67,8.38,;13.61,15.31,;14.95,16.08,;17.77,14.92,;18.17,13.43,;19.65,13.03,;20.74,14.12,;20.34,15.61,;18.86,16,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cnccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-6.65,5.28,;-5.56,4.19,;-4.07,4.59,;-5.96,2.7,;-5.96,1.16,;-7.29,.39,;-8.62,1.16,;-9.91,2,;-11.11,1.03,;-12.6,1.43,;-13.69,.34,;-13.29,-1.14,;-15.18,.74,;-16.26,-.35,;-17.75,.05,;-18.15,1.54,;-19.64,1.94,;-20.73,.85,;-20.33,-.64,;-18.84,-1.04,;-18.44,-2.53,;-10.56,-.4,;-11.33,-1.74,;-9.02,-.32,;-7.93,-1.41,;-8.33,-2.9,;-9.67,-3.67,;-8.9,-5,;-7.56,-4.23,;-8.62,2.7,;-7.29,3.47,;-4.47,2.31,;-4.07,.82,;-2.58,.42,;-1.49,1.51,;-1.89,3,;-3.38,3.39,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ncccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(6.47,-5.02,;5.38,-3.93,;3.89,-4.33,;5.78,-2.44,;5.78,-.9,;7.11,-.13,;8.44,-.9,;9.74,-1.74,;10.93,-.77,;12.42,-1.17,;13.51,-.08,;13.11,1.41,;15,-.48,;16.09,.61,;17.57,.21,;17.97,-1.28,;19.46,-1.68,;20.55,-.59,;20.15,.9,;18.66,1.3,;10.38,.67,;11.15,2,;8.84,.58,;7.75,1.67,;8.15,3.16,;9.49,3.93,;8.72,5.26,;7.38,4.49,;8.44,-2.44,;7.11,-3.21,;4.29,-2.04,;3.89,-.56,;2.4,-.16,;1.31,-1.25,;1.71,-2.73,;3.2,-3.13,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cccnn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.65,-7.69,;-5.56,-8.78,;-4.07,-8.38,;-5.96,-10.26,;-5.96,-11.8,;-7.29,-12.57,;-8.62,-11.8,;-9.91,-10.96,;-11.11,-11.93,;-12.6,-11.53,;-13.69,-12.62,;-13.29,-14.11,;-15.18,-12.23,;-16.26,-13.31,;-17.75,-12.92,;-18.15,-11.43,;-19.64,-11.03,;-20.73,-12.12,;-20.33,-13.61,;-18.84,-14,;-10.56,-13.37,;-11.33,-14.7,;-9.02,-13.29,;-7.93,-14.38,;-8.33,-15.87,;-9.67,-16.64,;-8.9,-17.97,;-7.56,-17.2,;-8.62,-10.26,;-7.29,-9.49,;-4.47,-10.66,;-4.07,-12.15,;-2.58,-12.55,;-1.49,-11.46,;-1.89,-9.97,;-3.38,-9.57,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ccncn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.59,-7.69,;16.68,-8.78,;18.17,-8.38,;16.28,-10.26,;16.28,-11.8,;14.95,-12.57,;13.62,-11.8,;12.33,-10.96,;11.13,-11.93,;9.64,-11.53,;8.55,-12.62,;8.95,-14.11,;7.07,-12.23,;5.98,-13.31,;4.49,-12.92,;3.4,-14,;1.91,-13.61,;1.51,-12.12,;2.6,-11.03,;4.09,-11.43,;11.68,-13.37,;10.91,-14.7,;13.22,-13.29,;14.31,-14.38,;13.91,-15.87,;12.58,-16.64,;13.35,-17.97,;14.68,-17.2,;13.62,-10.26,;14.95,-9.49,;17.77,-10.66,;18.17,-12.15,;19.66,-12.55,;20.75,-11.46,;20.35,-9.97,;18.86,-9.57,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cnccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.65,-20.97,;-5.56,-22.05,;-4.07,-21.66,;-5.96,-23.54,;-5.96,-25.08,;-7.29,-25.85,;-8.62,-25.08,;-9.91,-24.24,;-11.11,-25.21,;-12.6,-24.81,;-13.69,-25.9,;-13.29,-27.39,;-15.18,-25.5,;-16.26,-26.59,;-17.75,-26.19,;-18.15,-24.71,;-19.64,-24.31,;-20.73,-25.4,;-20.33,-26.88,;-18.84,-27.28,;-10.56,-26.65,;-11.33,-27.98,;-9.02,-26.57,;-7.93,-27.66,;-8.33,-29.15,;-9.67,-29.92,;-8.9,-31.25,;-7.56,-30.48,;-8.62,-23.54,;-7.29,-22.77,;-4.47,-23.94,;-4.07,-25.43,;-2.58,-25.83,;-1.49,-24.74,;-1.89,-23.25,;-3.38,-22.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cocn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(14.91,-20.97,;16,-22.05,;17.49,-21.66,;15.6,-23.54,;15.6,-25.08,;14.27,-25.85,;12.93,-25.08,;11.64,-24.24,;10.44,-25.21,;8.96,-24.81,;7.87,-25.9,;8.27,-27.39,;6.38,-25.5,;5.29,-26.59,;3.8,-26.19,;3.25,-24.76,;1.71,-24.84,;1.32,-26.32,;2.61,-27.16,;11,-26.65,;10.23,-27.98,;12.53,-26.57,;13.62,-27.66,;13.22,-29.15,;11.89,-29.92,;12.66,-31.25,;13.99,-30.48,;12.93,-23.54,;14.27,-22.77,;17.09,-23.94,;17.49,-25.43,;18.97,-25.83,;20.06,-24.74,;19.66,-23.25,;18.18,-22.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cccnc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-7.28,29.98,;-6.19,28.89,;-4.7,29.29,;-6.59,27.4,;-6.59,25.86,;-7.92,25.09,;-9.26,25.86,;-10.55,26.7,;-11.75,25.73,;-13.23,26.13,;-14.32,25.04,;-13.92,23.55,;-15.81,25.44,;-16.9,24.35,;-18.39,24.75,;-18.78,26.24,;-20.27,26.63,;-21.36,25.55,;-20.96,24.06,;-19.47,23.66,;-19.08,22.17,;-11.19,24.29,;-11.96,22.96,;-9.66,24.37,;-8.57,23.28,;-8.97,21.8,;-10.3,21.03,;-9.53,19.69,;-8.2,20.46,;-9.26,27.4,;-7.92,28.17,;-5.1,27,;-4.7,25.52,;-3.22,25.12,;-2.13,26.21,;-2.53,27.69,;-4.01,28.09,)|
COc1ncccc1CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:18.22,15.32,(18.71,28.68,;17.62,27.59,;18.02,26.11,;19.51,25.71,;19.9,24.22,;18.81,23.13,;17.33,23.53,;16.93,25.02,;15.44,25.42,;14.35,24.33,;12.86,24.73,;12.47,26.21,;11.78,23.64,;10.29,24.04,;9.14,23.01,;7.81,23.78,;6.48,24.55,;5.14,23.78,;5.14,22.24,;6.48,21.47,;7.81,22.24,;4.37,20.9,;5.14,19.57,;2.89,20.5,;3.66,22.63,;3.26,24.12,;1.77,24.52,;.68,23.43,;1.08,21.94,;2.57,21.55,;8.13,25.28,;7.04,26.37,;7.44,27.86,;8.77,28.63,;8,29.96,;6.67,29.19,;9.66,25.44,;10.43,26.78,)|
COc1ccncc1CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.32,18.22,(-20.17,7.27,;-19.08,8.36,;-19.47,9.85,;-20.96,10.24,;-21.36,11.73,;-20.27,12.82,;-18.78,12.42,;-18.39,10.93,;-16.9,10.54,;-15.81,11.63,;-14.32,11.23,;-13.92,9.74,;-13.23,12.32,;-11.75,11.92,;-10.55,12.89,;-9.26,12.05,;-7.92,11.28,;-6.59,12.05,;-6.59,13.59,;-7.92,14.36,;-9.26,13.59,;-6.19,15.08,;-7.28,16.16,;-4.7,15.47,;-5.1,13.19,;-4.7,11.7,;-3.22,11.3,;-2.13,12.39,;-2.53,13.88,;-4.01,14.28,;-9.66,10.56,;-8.57,9.47,;-8.97,7.98,;-10.3,7.21,;-9.53,5.88,;-8.2,6.65,;-11.19,10.48,;-11.96,9.15,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3cccc(C)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(15.44,16.16,;16.53,15.08,;18.02,15.47,;16.13,13.59,;16.13,12.05,;14.8,11.28,;13.46,12.05,;12.17,12.89,;10.98,11.92,;9.49,12.32,;8.4,11.23,;8.8,9.74,;6.91,11.63,;5.82,10.54,;4.34,10.93,;3.94,12.42,;2.45,12.82,;1.36,11.73,;1.76,10.24,;.67,9.16,;3.25,9.85,;11.53,10.48,;10.76,9.15,;13.07,10.56,;14.16,9.47,;13.76,7.98,;12.42,7.21,;13.19,5.88,;14.53,6.65,;13.46,13.59,;14.8,14.36,;17.62,13.19,;18.02,11.7,;19.51,11.3,;20.59,12.39,;20.2,13.88,;18.71,14.28,)|
COc1cccc(CNC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:14.30,17.20,(-22.81,-3.27,;-21.32,-3.67,;-20.23,-2.58,;-20.63,-1.09,;-19.54,-0,;-18.05,-.4,;-17.65,-1.89,;-16.17,-2.28,;-15.08,-1.2,;-13.59,-1.59,;-13.19,-3.08,;-12.5,-.51,;-11.01,-.9,;-9.82,.06,;-8.53,-.77,;-7.19,-1.54,;-5.86,-.77,;-5.86,.77,;-7.19,1.54,;-8.53,.77,;-5.46,2.25,;-6.55,3.34,;-3.97,2.65,;-4.37,.37,;-3.97,-1.12,;-2.48,-1.52,;-1.4,-.43,;-1.79,1.06,;-3.28,1.46,;-8.92,-2.26,;-7.83,-3.35,;-8.23,-4.84,;-9.57,-5.61,;-8.8,-6.94,;-7.46,-6.17,;-10.46,-2.34,;-11.23,-3.68,;-18.74,-2.98,)|
COc1ccccc1CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.32,18.22,(1.88,-5.76,;2.97,-4.67,;2.57,-3.18,;1.08,-2.79,;.68,-1.3,;1.77,-.21,;3.26,-.61,;3.66,-2.1,;5.14,-2.49,;6.23,-1.41,;7.72,-1.8,;8.12,-3.29,;8.81,-.71,;10.3,-1.11,;11.49,-.14,;12.78,-.98,;14.12,-1.75,;15.45,-.98,;15.45,.56,;14.12,1.33,;12.78,.56,;15.85,2.04,;14.76,3.13,;17.34,2.44,;16.94,.16,;17.34,-1.33,;18.83,-1.73,;19.91,-.64,;19.52,.85,;18.03,1.25,;12.39,-2.47,;13.47,-3.56,;13.08,-5.05,;11.74,-5.82,;12.51,-7.15,;13.85,-6.38,;10.85,-2.55,;10.08,-3.88,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCc3ccccc3C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-7.28,-9.36,;-6.19,-10.44,;-4.7,-10.05,;-6.59,-11.93,;-6.59,-13.47,;-7.92,-14.24,;-9.26,-13.47,;-10.55,-12.63,;-11.75,-13.6,;-13.23,-13.2,;-14.32,-14.29,;-13.92,-15.78,;-15.81,-13.89,;-16.9,-14.98,;-18.39,-14.58,;-19.47,-15.67,;-20.96,-15.27,;-21.36,-13.79,;-20.27,-12.7,;-18.78,-13.1,;-17.7,-12.01,;-11.19,-15.04,;-11.96,-16.37,;-9.66,-14.96,;-8.57,-16.05,;-8.97,-17.54,;-10.3,-18.31,;-9.53,-19.64,;-8.2,-18.87,;-9.26,-11.93,;-7.92,-11.16,;-5.1,-12.33,;-4.7,-13.82,;-3.22,-14.22,;-2.13,-13.13,;-2.53,-11.64,;-4.01,-11.24,)|
CNC(=O)c1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:14.30,17.20,(.66,-11.16,;2.15,-10.76,;3.24,-11.85,;2.84,-13.33,;4.72,-11.45,;5.81,-12.54,;7.3,-12.14,;7.7,-10.65,;9.19,-10.25,;10.28,-11.34,;9.88,-12.83,;11.76,-10.94,;12.85,-12.03,;14.32,-11.56,;15.22,-12.8,;15.99,-14.14,;17.53,-14.14,;18.3,-12.8,;17.53,-11.47,;15.99,-11.47,;19.07,-11.47,;18.3,-10.13,;20.61,-11.47,;19.07,-14.14,;18.3,-15.47,;19.07,-16.8,;20.61,-16.8,;21.38,-15.47,;20.61,-14.14,;14.32,-14.05,;14.71,-15.54,;13.63,-16.62,;12.09,-16.62,;12.09,-18.16,;13.63,-18.16,;12.85,-13.57,;11.52,-14.34,;6.61,-9.56,;5.12,-9.96,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(ccn3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-6.28,-22.04,;-5.88,-23.53,;-4.39,-23.93,;-6.97,-24.62,;-7.74,-25.95,;-9.28,-25.95,;-10.05,-24.62,;-10.95,-23.37,;-12.42,-23.85,;-13.75,-23.08,;-15.09,-23.85,;-15.09,-25.39,;-16.42,-23.08,;-17.75,-23.85,;-17.75,-25.39,;-19.09,-26.16,;-20.42,-25.39,;-20.42,-23.85,;-19.09,-23.08,;-19.09,-27.7,;-20.42,-28.47,;-17.75,-28.47,;-12.42,-25.39,;-13.75,-26.16,;-10.95,-25.86,;-10.56,-27.35,;-11.64,-28.44,;-13.18,-28.44,;-13.18,-29.98,;-11.64,-29.98,;-9.28,-23.28,;-7.74,-23.28,;-6.2,-25.95,;-6.97,-27.28,;-6.2,-28.62,;-4.66,-28.62,;-3.89,-27.28,;-4.66,-25.95,)|
COc1cc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)ncn1 |r,wU:11.27,14.17,(.67,-23.85,;2,-23.08,;3.33,-23.85,;4.67,-23.08,;6,-23.85,;7.33,-23.08,;8.67,-23.85,;8.67,-25.39,;10,-23.08,;11.33,-23.85,;12.8,-23.37,;13.7,-24.62,;14.47,-25.95,;16.01,-25.95,;16.78,-24.62,;16.01,-23.28,;14.47,-23.28,;17.87,-23.53,;17.48,-22.04,;19.36,-23.93,;18.12,-25.39,;18.12,-26.93,;19.45,-27.7,;20.79,-26.93,;20.79,-25.39,;19.45,-24.62,;12.8,-25.86,;13.2,-27.35,;12.11,-28.44,;10.57,-28.44,;10.57,-29.98,;12.11,-29.98,;11.33,-25.39,;10,-26.16,;6,-25.39,;4.67,-26.16,;3.33,-25.39,)|
COc1nccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(-17.85,23.12,;-19.18,23.89,;-19.18,25.43,;-20.51,26.2,;-20.51,27.74,;-19.18,28.51,;-17.85,27.74,;-16.51,28.51,;-15.18,27.74,;-15.18,26.2,;-13.84,28.51,;-12.51,27.74,;-11.05,28.22,;-10.14,26.97,;-9.37,25.64,;-7.83,25.64,;-7.06,26.97,;-7.83,28.31,;-9.37,28.31,;-5.97,28.06,;-6.37,29.55,;-4.48,27.66,;-5.73,26.2,;-5.73,24.66,;-4.39,23.89,;-3.06,24.66,;-3.06,26.2,;-4.39,26.97,;-11.05,25.73,;-10.65,24.24,;-11.74,23.15,;-13.28,23.15,;-13.28,21.61,;-11.74,21.61,;-12.51,26.2,;-13.84,25.43,;-17.85,26.2,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cncnc3O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(14.98,28.91,;15.75,27.58,;17.29,27.58,;14.98,26.25,;14.21,24.91,;12.67,24.91,;11.9,26.25,;10.99,27.49,;9.53,27.02,;8.2,27.79,;6.86,27.02,;6.86,25.48,;5.53,27.79,;4.2,27.02,;4.2,25.48,;2.86,24.71,;1.53,25.48,;1.53,27.02,;2.86,27.79,;2.86,29.33,;9.53,25.48,;8.2,24.71,;10.99,25,;11.39,23.51,;10.3,22.42,;8.76,22.42,;8.76,20.88,;10.3,20.88,;12.67,27.58,;14.21,27.58,;15.75,24.91,;14.98,23.58,;15.75,22.24,;17.29,22.24,;18.06,23.58,;17.29,24.91,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cnc(O)nc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-5.22,18.22,;-4.45,16.89,;-2.91,16.89,;-5.22,15.55,;-5.99,14.22,;-7.53,14.22,;-8.3,15.55,;-9.21,16.8,;-10.67,16.32,;-12.01,17.09,;-13.34,16.32,;-13.34,14.78,;-14.67,17.09,;-16.01,16.32,;-17.34,17.09,;-18.68,16.32,;-18.68,14.78,;-20.01,14.01,;-17.34,14.01,;-16.01,14.78,;-10.67,14.78,;-12.01,14.01,;-9.21,14.31,;-8.81,12.82,;-9.9,11.73,;-11.44,11.73,;-11.44,10.19,;-9.9,10.19,;-7.53,16.89,;-5.99,16.89,;-4.45,14.22,;-5.22,12.88,;-4.45,11.55,;-2.91,11.55,;-2.14,12.88,;-2.91,14.22,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(O)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.82,18.22,;17.59,16.89,;19.13,16.89,;16.82,15.55,;16.05,14.22,;14.51,14.22,;13.74,15.55,;12.83,16.8,;11.37,16.32,;10.03,17.09,;8.7,16.32,;8.7,14.78,;7.37,17.09,;6.03,16.32,;6.03,14.78,;4.7,14.01,;3.37,14.78,;2.03,14.01,;3.37,16.32,;4.7,17.09,;11.37,14.78,;10.03,14.01,;12.83,14.31,;13.23,12.82,;12.14,11.73,;10.6,11.73,;10.6,10.19,;12.14,10.19,;14.51,16.89,;16.05,16.89,;17.59,14.22,;16.82,12.88,;17.59,11.55,;19.13,11.55,;19.9,12.88,;19.13,14.22,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-4.87,7.17,;-4.47,5.68,;-2.98,5.28,;-5.56,4.59,;-6.33,3.26,;-7.87,3.26,;-8.64,4.59,;-9.54,5.84,;-11.01,5.36,;-12.34,6.13,;-13.68,5.36,;-13.68,3.82,;-15.01,6.13,;-16.34,5.36,;-17.68,6.13,;-19.01,5.36,;-19.01,3.82,;-19.41,2.33,;-20.5,4.22,;-17.68,3.05,;-16.34,3.82,;-11.01,3.82,;-12.34,3.05,;-9.54,3.35,;-9.14,1.86,;-10.23,.77,;-11.77,.77,;-11.77,-.77,;-10.23,-.77,;-7.87,5.92,;-6.33,5.92,;-4.22,3.82,;-4.22,2.28,;-2.89,1.51,;-1.56,2.28,;-1.56,3.82,;-2.89,4.59,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.69,4.95,;16.08,3.47,;17.57,3.07,;15,2.38,;14.23,1.04,;12.69,1.04,;11.92,2.38,;11.01,3.62,;9.55,3.15,;8.21,3.92,;6.88,3.15,;6.88,1.61,;5.54,3.92,;5.54,5.46,;4.21,6.23,;2.88,5.46,;1.54,4.69,;2.48,6.95,;2.88,3.92,;4.21,3.15,;9.55,1.61,;8.21,.84,;11.01,1.13,;11.41,-.36,;10.32,-1.44,;8.78,-1.44,;8.78,-2.98,;10.32,-2.98,;12.69,3.71,;14.23,3.71,;16.33,1.61,;16.33,.07,;17.66,-.7,;19,.07,;19,1.61,;17.66,2.38,)|
COCCN1C(=O)N(CC(=O)Nc2ccncn2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.20,22.27,(-12.43,-14.46,;-11.34,-13.37,;-11.74,-11.89,;-10.65,-10.8,;-11.05,-9.31,;-12.51,-8.83,;-13.84,-9.6,;-12.51,-7.29,;-13.84,-6.52,;-15.18,-7.29,;-15.18,-8.83,;-16.51,-6.52,;-17.85,-7.29,;-17.85,-8.83,;-19.18,-9.6,;-20.51,-8.83,;-20.51,-7.29,;-19.18,-6.52,;-11.05,-6.82,;-10.14,-8.06,;-9.37,-9.4,;-7.83,-9.4,;-7.06,-8.06,;-7.83,-6.73,;-9.37,-6.73,;-5.97,-6.97,;-6.37,-5.49,;-4.48,-7.37,;-5.73,-8.83,;-5.73,-10.37,;-4.39,-11.14,;-3.06,-10.37,;-3.06,-8.83,;-4.39,-8.06,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CCOC)C1=O |r,wU:7.23,10.13,(1.31,-7.29,;2.65,-6.52,;3.98,-7.29,;3.98,-8.83,;5.31,-6.52,;6.65,-7.29,;8.11,-6.82,;9.02,-8.06,;9.79,-9.4,;11.33,-9.4,;12.1,-8.06,;11.33,-6.73,;9.79,-6.73,;13.19,-6.97,;12.79,-5.49,;14.67,-7.37,;13.43,-8.83,;13.43,-10.37,;14.77,-11.14,;16.1,-10.37,;16.1,-8.83,;14.77,-8.06,;8.11,-9.31,;8.51,-10.8,;7.42,-11.89,;7.82,-13.37,;6.73,-14.46,;6.65,-8.83,;5.31,-9.6,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncncc3C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-6.24,-21.61,;-5.85,-23.1,;-4.36,-23.49,;-6.94,-24.19,;-7.71,-25.52,;-9.25,-25.52,;-10.02,-24.19,;-10.92,-22.94,;-12.39,-23.42,;-13.47,-22.33,;-14.96,-22.72,;-15.36,-24.21,;-16.05,-21.64,;-17.54,-22.03,;-17.94,-23.52,;-19.42,-23.92,;-20.51,-22.83,;-20.11,-21.34,;-18.63,-20.95,;-18.23,-19.46,;-17.83,-17.97,;-12.39,-24.96,;-13.72,-25.73,;-10.92,-25.43,;-10.52,-26.92,;-11.61,-28.01,;-13.15,-28.01,;-13.15,-29.55,;-11.61,-29.55,;-9.25,-22.85,;-7.71,-22.85,;-5.85,-25.27,;-6.24,-26.76,;-5.16,-27.85,;-3.67,-27.45,;-3.27,-25.96,;-4.36,-24.88,)|
CSc1ccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:12.28,15.18,(1.31,-21.2,;2.65,-21.97,;3.98,-21.2,;5.31,-21.97,;6.65,-21.2,;6.65,-19.66,;7.98,-18.89,;9.32,-19.66,;9.32,-21.2,;10.65,-18.89,;11.98,-19.66,;13.45,-19.18,;14.35,-20.43,;15.12,-21.76,;16.66,-21.76,;17.43,-20.43,;16.66,-19.09,;15.12,-19.09,;18.2,-19.09,;17.43,-17.76,;19.74,-19.09,;18.2,-21.76,;17.43,-23.09,;18.2,-24.43,;19.74,-24.43,;20.51,-23.09,;19.74,-21.76,;13.45,-21.67,;13.85,-23.16,;12.76,-24.25,;11.22,-24.25,;11.22,-25.79,;12.76,-25.79,;11.98,-21.2,;10.65,-21.97,;5.31,-18.89,;3.98,-19.66,)|
COc1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(-20.45,23.64,;-20.85,22.16,;-19.76,21.07,;-20.16,19.58,;-19.07,18.49,;-17.58,18.89,;-17.18,20.38,;-15.69,20.78,;-14.61,19.69,;-15,18.2,;-13.12,20.08,;-12.03,19,;-10.56,19.47,;-9.66,18.23,;-8.89,16.89,;-7.35,16.89,;-6.58,18.23,;-7.35,19.56,;-8.89,19.56,;-5.49,19.31,;-5.89,20.8,;-4,18.92,;-5.49,17.14,;-5.89,15.65,;-4.8,14.56,;-3.31,14.96,;-2.91,16.45,;-4,17.54,;-10.56,16.98,;-10.17,15.49,;-11.25,14.4,;-12.79,14.4,;-12.79,12.86,;-11.25,12.86,;-12.03,17.46,;-13.36,16.69,;-18.27,21.47,)|
CSc1cccc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:13.29,16.19,(.96,21.74,;2.3,22.51,;3.63,21.74,;3.63,20.2,;4.97,19.43,;6.3,20.2,;6.3,21.74,;7.63,22.51,;8.97,21.74,;8.97,20.2,;10.3,22.51,;11.63,21.74,;13.1,22.22,;14,20.97,;14.77,19.64,;16.31,19.64,;17.08,20.97,;16.31,22.3,;14.77,22.3,;17.85,22.3,;17.08,23.64,;19.39,22.3,;17.85,19.64,;17.08,18.3,;17.85,16.97,;19.39,16.97,;20.16,18.3,;19.39,19.64,;13.1,19.72,;13.5,18.24,;12.41,17.15,;10.87,17.15,;10.87,15.61,;12.41,15.61,;11.63,20.2,;10.3,19.43,;4.97,22.51,)|
COCCN1C(=O)N(CC(=O)NCCO)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:16.16,19.23,(-12.27,.18,;-11.18,1.27,;-11.58,2.76,;-10.49,3.85,;-10.89,5.33,;-12.36,5.81,;-13.69,5.04,;-12.36,7.35,;-13.69,8.12,;-15.02,7.35,;-15.02,5.81,;-16.36,8.12,;-17.69,7.35,;-19.03,8.12,;-20.36,7.35,;-10.89,7.83,;-9.99,6.58,;-9.22,5.25,;-7.68,5.25,;-6.91,6.58,;-7.68,7.91,;-9.22,7.91,;-5.82,7.67,;-6.22,9.16,;-4.33,7.27,;-5.57,5.81,;-5.57,4.27,;-4.24,3.5,;-2.91,4.27,;-2.91,5.81,;-4.24,6.58,)|
COCCN1C(=O)N(CC(=O)NCC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:17.17,20.24,(10,-.54,;11.09,.54,;10.7,2.03,;11.78,3.12,;11.39,4.61,;9.92,5.08,;8.59,4.31,;9.92,6.62,;8.59,7.39,;7.25,6.62,;7.25,5.08,;5.92,7.39,;4.59,6.62,;3.25,7.39,;1.92,6.62,;3.25,8.93,;11.39,7.1,;12.29,5.85,;13.06,4.52,;14.6,4.52,;15.37,5.85,;14.6,7.19,;13.06,7.19,;16.46,6.94,;16.06,8.43,;17.95,6.54,;16.7,5.08,;16.7,3.54,;18.04,2.77,;19.37,3.54,;19.37,5.08,;18.04,5.85,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:7.23,10.13,(-21.08,-5.99,;-19.74,-5.22,;-18.41,-5.99,;-18.41,-7.53,;-17.08,-5.22,;-15.74,-5.99,;-14.28,-5.51,;-13.37,-6.76,;-12.6,-8.09,;-11.06,-8.09,;-10.29,-6.76,;-11.06,-5.42,;-12.6,-5.42,;-9.2,-5.67,;-9.6,-4.18,;-7.72,-6.07,;-8.96,-7.53,;-8.96,-9.07,;-7.63,-9.84,;-6.29,-9.07,;-6.29,-7.53,;-7.63,-6.76,;-14.28,-8,;-13.88,-9.49,;-14.97,-10.58,;-16.51,-10.58,;-16.51,-12.12,;-14.97,-12.12,;-15.74,-7.53,;-17.08,-8.3,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(15.82,-4.18,;16.22,-5.67,;17.71,-6.07,;15.13,-6.76,;14.36,-8.09,;12.82,-8.09,;12.05,-6.76,;11.15,-5.51,;9.68,-5.99,;8.35,-5.22,;7.02,-5.99,;7.02,-7.53,;5.68,-5.22,;4.35,-5.99,;3.02,-5.22,;1.68,-5.99,;9.68,-7.53,;8.35,-8.3,;11.15,-8,;11.55,-9.49,;10.46,-10.58,;8.92,-10.58,;8.92,-12.12,;10.46,-12.12,;12.82,-5.42,;14.36,-5.42,;16.47,-7.53,;16.47,-9.07,;17.8,-9.84,;19.14,-9.07,;19.14,-7.53,;17.8,-6.76,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(O)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-5.57,-14.79,;-4.8,-16.12,;-3.26,-16.12,;-5.57,-17.46,;-6.34,-18.79,;-7.88,-18.79,;-8.65,-17.46,;-9.56,-16.21,;-11.02,-16.69,;-12.36,-15.92,;-13.69,-16.69,;-13.69,-18.23,;-15.02,-15.92,;-16.36,-16.69,;-16.36,-18.23,;-17.69,-19,;-19.03,-18.23,;-19.03,-16.69,;-20.36,-15.92,;-17.69,-15.92,;-11.02,-18.23,;-12.36,-19,;-9.56,-18.7,;-9.16,-20.19,;-10.25,-21.28,;-11.79,-21.28,;-11.79,-22.82,;-10.25,-22.82,;-7.88,-16.12,;-6.34,-16.12,;-4.8,-18.79,;-5.57,-20.13,;-4.8,-21.46,;-3.26,-21.46,;-2.49,-20.13,;-3.26,-18.79,)|
COc1ncc(CNC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cn1 |r,wU:13.29,16.19,(1.03,-16.78,;2.36,-16.01,;3.7,-16.78,;5.03,-16.01,;6.36,-16.78,;6.36,-18.32,;7.7,-19.09,;9.03,-18.32,;10.36,-19.09,;10.36,-20.63,;11.7,-18.32,;13.03,-19.09,;14.5,-18.61,;15.4,-19.86,;16.17,-21.19,;17.71,-21.19,;18.48,-19.86,;17.71,-18.52,;16.17,-18.52,;19.57,-18.77,;19.17,-17.28,;21.06,-19.17,;19.82,-20.63,;19.82,-22.17,;21.15,-22.94,;22.48,-22.17,;22.48,-20.63,;21.15,-19.86,;14.5,-21.1,;14.9,-22.59,;13.81,-23.68,;12.27,-23.68,;12.27,-25.22,;13.81,-25.22,;13.03,-20.63,;11.7,-21.4,;5.03,-19.09,;3.7,-18.32,)|
COc1ccnc(CNC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:14.30,17.20,(-20.12,26.27,;-20.12,27.81,;-18.78,28.58,;-18.78,30.12,;-17.45,30.89,;-16.12,30.12,;-16.12,28.58,;-14.78,27.81,;-13.45,28.58,;-12.11,27.81,;-12.11,26.27,;-10.78,28.58,;-9.45,27.81,;-8.16,28.65,;-6.96,27.68,;-5.87,26.59,;-4.38,26.99,;-3.98,28.48,;-5.07,29.57,;-6.56,29.17,;-3.21,29.81,;-3.98,31.14,;-1.67,29.81,;-2.89,27.39,;-3.29,25.9,;-2.2,24.81,;-.72,25.21,;-.32,26.7,;-1.41,27.79,;-7.51,26.24,;-6.74,24.91,;-7.51,23.58,;-9,23.18,;-8.6,21.69,;-7.11,22.09,;-9.05,26.32,;-10.14,25.23,;-17.45,27.81,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccnc(n3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.24,(17.27,28.58,;18.04,27.25,;19.58,27.25,;17.27,25.91,;16.5,24.58,;14.96,24.58,;14.19,25.91,;13.28,27.16,;11.82,26.68,;10.73,27.77,;9.24,27.37,;8.84,25.89,;8.15,28.46,;6.66,28.06,;6.26,26.58,;4.78,26.18,;3.69,27.27,;4.09,28.76,;5.57,29.15,;3,29.84,;1.91,30.93,;11.82,25.14,;10.48,24.37,;13.28,24.67,;13.68,23.18,;12.59,22.09,;11.05,22.09,;11.05,20.55,;12.59,20.55,;14.96,27.25,;16.5,27.25,;18.04,24.58,;17.27,23.25,;18.04,21.91,;19.58,21.91,;20.35,23.25,;19.58,24.58,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)S(C)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.25,(-4.23,17.74,;-3.46,16.4,;-1.92,16.4,;-4.23,15.07,;-5,13.74,;-6.54,13.74,;-7.31,15.07,;-8.21,16.32,;-9.68,15.84,;-11.01,16.61,;-12.34,15.84,;-12.34,14.3,;-13.68,16.61,;-15.01,15.84,;-15.01,14.3,;-16.35,13.53,;-17.68,14.3,;-17.68,15.84,;-16.35,16.61,;-19.01,16.61,;-20.35,15.84,;-19.01,18.15,;-9.68,14.3,;-11.01,13.53,;-8.21,13.83,;-7.81,12.34,;-8.9,11.25,;-10.44,11.25,;-10.44,9.71,;-8.9,9.71,;-6.54,16.4,;-5,16.4,;-3.46,13.74,;-4.23,12.4,;-3.46,11.07,;-1.92,11.07,;-1.15,12.4,;-1.92,13.74,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NC(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.20,(14.92,15.48,;15.69,14.15,;14.92,12.81,;14.15,11.48,;12.61,11.48,;11.84,12.81,;10.94,14.06,;9.47,13.58,;8.14,14.35,;6.8,13.58,;6.8,12.04,;5.47,14.35,;5.47,15.89,;6.96,16.29,;5.87,17.38,;4.14,16.66,;2.65,16.27,;4.54,18.15,;9.47,12.04,;8.14,11.27,;10.94,11.57,;11.34,10.08,;10.25,8.99,;8.71,8.99,;8.71,7.45,;10.25,7.45,;12.61,14.15,;14.15,14.15,;15.69,11.48,;14.92,10.15,;15.69,8.81,;17.23,8.81,;18,10.15,;17.23,11.48,)|
CNC(=O)CNC(=O)CN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.17,11.26,(-20.34,3.64,;-19.25,2.55,;-17.76,2.95,;-17.37,4.44,;-16.68,1.86,;-15.19,2.26,;-14.1,1.17,;-14.5,-.31,;-12.61,1.57,;-11.52,.48,;-10.06,.96,;-9.15,-.29,;-8.38,-1.62,;-6.84,-1.62,;-6.07,-.29,;-6.84,1.05,;-8.38,1.05,;-5.3,1.05,;-6.07,2.38,;-5.3,-1.62,;-6.07,-2.95,;-5.3,-4.29,;-3.76,-4.29,;-2.99,-2.95,;-3.76,-1.62,;-10.06,-1.53,;-9.66,-3.02,;-10.75,-4.11,;-12.29,-4.11,;-12.29,-5.65,;-10.75,-5.65,;-11.52,-1.06,;-12.86,-1.83,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.18,(16.01,3.34,;16.78,2,;16.01,.67,;15.24,-.66,;13.7,-.66,;12.93,.67,;12.03,1.92,;10.56,1.44,;9.47,2.53,;7.98,2.13,;7.59,.64,;6.65,2.9,;5.32,2.13,;3.98,2.9,;2.65,2.13,;3.98,4.44,;10.56,-.1,;9.23,-.87,;12.03,-.58,;12.42,-2.06,;11.34,-3.15,;9.8,-3.15,;9.8,-4.69,;11.34,-4.69,;13.7,2,;15.24,2,;16.78,-.66,;16.01,-2,;16.78,-3.33,;18.32,-3.33,;19.09,-2,;18.32,-.66,)|
COCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.32,19.22,(-27.13,-14.62,;-25.79,-15.39,;-24.46,-14.62,;-23.13,-15.39,;-21.79,-14.62,;-20.46,-15.39,;-19.13,-14.62,;-17.79,-15.39,;-16.46,-14.62,;-15.13,-15.39,;-13.79,-14.62,;-12.46,-15.39,;-12.46,-16.93,;-11.12,-14.62,;-9.79,-15.39,;-8.33,-14.92,;-7.42,-16.16,;-6.33,-17.25,;-4.84,-16.85,;-4.45,-15.36,;-5.53,-14.28,;-7.02,-14.67,;-4.05,-13.88,;-5.14,-12.79,;-2.56,-13.48,;-3.36,-16.45,;-3.76,-17.94,;-2.67,-19.03,;-1.18,-18.63,;-.78,-17.14,;-1.87,-16.06,;-8.33,-17.41,;-8.33,-18.95,;-9.1,-20.28,;-10.58,-20.68,;-10.18,-22.17,;-8.7,-21.77,;-9.79,-16.93,;-11.12,-17.7,)|
CN[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.19,(16.01,-10.91,;16.78,-12.24,;16.01,-13.57,;15.24,-14.91,;13.7,-14.91,;12.93,-13.57,;12.03,-12.33,;10.56,-12.8,;9.47,-11.71,;7.98,-12.11,;7.59,-13.6,;6.65,-11.34,;7.05,-9.86,;5.32,-12.11,;3.98,-11.34,;2.65,-12.11,;3.98,-9.8,;10.56,-14.34,;9.23,-15.11,;12.03,-14.82,;12.42,-16.31,;11.34,-17.4,;9.8,-17.4,;9.8,-18.94,;11.34,-18.94,;13.7,-12.24,;15.24,-12.24,;16.78,-14.91,;16.01,-16.24,;16.78,-17.57,;18.32,-17.57,;19.09,-16.24,;18.32,-14.91,)|
CNC(=O)CN(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.18,12.27,(-20.34,-21.85,;-19.25,-22.94,;-17.76,-22.54,;-17.37,-21.06,;-16.68,-23.63,;-15.19,-23.23,;-14.79,-21.75,;-14.1,-24.32,;-14.5,-25.81,;-12.61,-23.92,;-11.52,-25.01,;-10.06,-24.54,;-9.15,-25.78,;-8.38,-27.12,;-6.84,-27.12,;-6.07,-25.78,;-6.84,-24.45,;-8.38,-24.45,;-5.3,-24.45,;-6.07,-23.12,;-5.3,-27.12,;-6.07,-28.45,;-5.3,-29.78,;-3.76,-29.78,;-2.99,-28.45,;-3.76,-27.12,;-10.06,-27.03,;-9.66,-28.52,;-10.75,-29.6,;-12.29,-29.6,;-12.29,-31.14,;-10.75,-31.14,;-11.52,-26.55,;-12.86,-27.32,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.21,(16.19,-22.11,;16.96,-23.44,;18.5,-23.44,;16.19,-24.77,;15.42,-26.11,;13.88,-26.11,;13.11,-24.77,;12.21,-23.53,;10.74,-24,;9.65,-22.92,;8.17,-23.31,;7.77,-24.8,;7.08,-22.22,;5.59,-22.62,;4.5,-21.53,;3.01,-21.93,;1.93,-20.84,;1.93,-23.02,;3.78,-23.27,;10.74,-25.54,;9.41,-26.31,;12.21,-26.02,;12.61,-27.51,;11.52,-28.6,;12.85,-29.37,;9.98,-28.6,;9.98,-30.14,;11.52,-30.14,;13.88,-23.44,;15.42,-23.44,;16.96,-26.11,;16.19,-27.44,;16.96,-28.77,;18.5,-28.77,;19.27,-27.44,;18.5,-26.11,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cncnc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(-7.58,31.34,;-6.81,30.01,;-5.27,30.01,;-7.58,28.67,;-8.35,27.34,;-9.89,27.34,;-10.66,28.67,;-11.57,29.92,;-13.03,29.44,;-14.12,30.53,;-15.61,30.13,;-16.01,28.64,;-16.7,31.22,;-18.19,30.82,;-19.28,31.91,;-20.76,31.51,;-21.16,30.03,;-20.07,28.94,;-18.58,29.33,;-13.03,27.9,;-14.37,27.13,;-11.57,27.43,;-11.17,25.94,;-12.26,24.85,;-10.93,24.08,;-13.8,24.85,;-13.8,23.31,;-12.26,23.31,;-9.89,30.01,;-8.35,30.01,;-6.81,27.34,;-7.58,26,;-6.81,24.67,;-5.27,24.67,;-4.5,26,;-5.27,27.34,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(n3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.26,(16.98,31.77,;17.75,30.44,;19.29,30.44,;16.98,29.1,;16.21,27.77,;14.67,27.77,;13.9,29.1,;13,30.35,;11.53,29.87,;10.2,30.64,;8.87,29.87,;8.87,28.33,;7.53,30.64,;6.2,29.87,;6.2,28.33,;4.87,27.56,;3.53,28.33,;3.53,29.87,;4.87,30.64,;2.2,30.64,;.87,29.87,;1.11,31.73,;3.29,31.73,;11.53,28.33,;10.2,27.56,;13,27.86,;13.4,26.37,;12.31,25.28,;10.77,25.28,;10.77,23.74,;12.31,23.74,;14.67,30.44,;16.21,30.44,;17.75,27.77,;16.98,26.44,;17.75,25.1,;19.29,25.1,;20.06,26.44,;19.29,27.77,)|
CN(C)C(=O)CN1C(=O)N(CC(=O)NCCO)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:18.18,21.25,(-9.8,11.06,;-11.28,11.46,;-12.37,10.37,;-11.68,12.95,;-13.17,13.35,;-10.59,14.04,;-10.99,15.52,;-12.46,16,;-13.79,15.23,;-12.46,17.54,;-13.79,18.31,;-15.12,17.54,;-15.12,16,;-16.46,18.31,;-17.79,17.54,;-19.12,18.31,;-20.46,17.54,;-10.99,18.02,;-10.09,16.77,;-9.32,15.44,;-7.78,15.44,;-7.01,16.77,;-7.78,18.1,;-9.32,18.1,;-5.92,17.86,;-4.43,17.46,;-6.32,19.35,;-5.67,16,;-5.67,14.46,;-4.34,13.69,;-3.01,14.46,;-3.01,16,;-4.34,16.77,)|
CN[C@]1(CC[C@]2(CN(CC(=O)N(C)C(C)(C)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.21,2.1,(15,17.89,;15.4,16.4,;14.31,15.31,;13.54,13.98,;12,13.98,;11.23,15.31,;10.32,16.56,;8.86,16.08,;7.77,17.17,;6.28,16.77,;5.88,15.28,;5.19,17.86,;5.59,19.35,;3.71,17.46,;2.62,18.55,;2.22,17.06,;3.31,15.97,;1.82,15.57,;4.4,14.88,;8.86,14.54,;7.53,13.77,;10.32,14.06,;10.72,12.58,;9.63,11.49,;8.09,11.49,;8.09,9.95,;9.63,9.95,;12,16.64,;13.54,16.64,;15.08,13.98,;14.31,12.64,;15.08,11.31,;16.62,11.31,;17.39,12.64,;16.62,13.98,)|
CN[C@]1(CC[C@]2(CN(CC(=O)C3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wD:5.22,2.1,(-15.66,-6.37,;-14.17,-6.77,;-13.08,-5.68,;-12.05,-4.53,;-12.53,-3.07,;-14.04,-2.75,;-15.5,-2.27,;-15.5,-.73,;-16.59,.36,;-16.19,1.84,;-14.7,2.24,;-17.28,2.93,;-16.88,4.42,;-17.97,5.51,;-19.46,5.11,;-19.46,6.65,;-20.95,4.71,;-19.86,3.62,;-18.77,2.53,;-14.04,-.26,;-13.64,1.23,;-13.13,-1.5,;-11.59,-1.5,;-10.82,-.17,;-9.33,.23,;-9.73,1.72,;-11.22,1.32,;-15.07,-3.89,;-14.59,-5.36,;-11.6,-6.08,;-11.2,-7.56,;-9.71,-7.96,;-8.62,-6.87,;-9.02,-5.39,;-10.51,-4.99,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOC)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.36,2.1,(16.82,-11.77,;17.91,-12.86,;17.51,-14.35,;17.11,-15.83,;15.62,-16.23,;14.54,-15.14,;13.63,-13.9,;12.17,-14.37,;10.83,-13.6,;9.5,-14.37,;9.5,-15.91,;8.16,-13.6,;6.83,-14.37,;5.5,-13.6,;4.16,-14.37,;2.83,-13.6,;1.5,-14.37,;.16,-13.6,;-1.17,-14.37,;-2.5,-13.6,;-3.84,-14.37,;-5.17,-13.6,;-6.51,-14.37,;-7.84,-13.6,;-9.17,-14.37,;-10.51,-13.6,;-11.84,-14.37,;-13.17,-13.6,;-14.51,-14.37,;-15.84,-13.6,;-17.18,-14.37,;-18.51,-13.6,;-19.84,-14.37,;-21.18,-13.6,;12.17,-15.91,;10.83,-16.68,;13.63,-16.39,;13.63,-17.93,;12.86,-19.26,;11.37,-19.66,;11.77,-21.15,;13.26,-20.75,;14.93,-13.66,;16.42,-13.26,;18.6,-15.44,;18.2,-16.92,;19.29,-18.01,;20.78,-17.61,;21.18,-16.13,;20.09,-15.04,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NCC(=O)N(C)C)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.20,(-6.39,-23.88,;-5.62,-25.22,;-6.39,-26.55,;-7.16,-27.88,;-8.7,-27.88,;-9.47,-26.55,;-10.38,-25.3,;-11.84,-25.78,;-13.17,-25.01,;-14.51,-25.78,;-14.51,-27.32,;-15.84,-25.01,;-17.18,-25.78,;-18.51,-25.01,;-18.51,-23.47,;-19.84,-25.78,;-19.84,-27.32,;-21.18,-25.01,;-11.84,-27.32,;-13.17,-28.09,;-10.38,-27.79,;-9.98,-29.28,;-11.07,-30.37,;-12.61,-30.37,;-12.61,-31.91,;-11.07,-31.91,;-8.7,-25.22,;-7.16,-25.22,;-5.62,-27.88,;-6.39,-29.22,;-5.62,-30.55,;-4.08,-30.55,;-3.31,-29.22,;-4.08,-27.88,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncc(O)cn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(16.37,-23.25,;17.14,-24.59,;18.68,-24.59,;16.37,-25.92,;15.6,-27.25,;14.06,-27.25,;13.29,-25.92,;12.38,-24.67,;10.92,-25.15,;9.59,-24.38,;8.25,-25.15,;8.25,-26.69,;6.92,-24.38,;5.58,-25.15,;4.25,-24.38,;2.92,-25.15,;2.92,-26.69,;1.58,-27.46,;4.25,-27.46,;5.58,-26.69,;10.92,-26.69,;9.59,-27.46,;12.38,-27.17,;12.78,-28.65,;11.69,-29.74,;10.15,-29.74,;10.15,-31.28,;11.69,-31.28,;14.06,-24.59,;15.6,-24.59,;17.14,-27.25,;16.37,-28.59,;17.14,-29.92,;18.68,-29.92,;19.45,-28.59,;18.68,-27.25,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(ccn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.26,(-6.58,28.92,;-5.81,27.59,;-4.27,27.59,;-6.58,26.26,;-7.35,24.92,;-8.89,24.92,;-9.66,26.26,;-10.56,27.5,;-12.03,27.03,;-13.36,27.8,;-14.69,27.03,;-14.69,25.49,;-16.03,27.8,;-17.36,27.03,;-17.36,25.49,;-18.69,24.72,;-20.03,25.49,;-20.03,27.03,;-18.69,27.8,;-18.69,23.18,;-17.36,22.41,;-19.09,21.69,;-20.18,23.57,;-12.03,25.49,;-13.36,24.72,;-10.56,25.01,;-10.16,23.52,;-11.25,22.43,;-12.79,22.43,;-12.79,20.89,;-11.25,20.89,;-8.89,27.59,;-7.35,27.59,;-5.81,24.92,;-6.58,23.59,;-5.81,22.25,;-4.27,22.25,;-3.5,23.59,;-4.27,24.92,)|
CNC(=O)CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.17,11.27,(1.93,25.33,;2.33,26.82,;3.82,27.22,;4.22,28.71,;4.91,26.13,;6.4,26.53,;7.49,25.44,;7.09,23.95,;8.97,25.84,;10.06,24.75,;11.53,25.22,;12.43,23.98,;12.83,22.49,;14.32,22.09,;15.41,23.18,;15.01,24.67,;13.52,25.07,;16.5,24.27,;16.1,25.76,;17.98,23.87,;16.5,22.09,;16.1,20.61,;17.19,19.52,;18.67,19.91,;19.07,21.4,;17.98,22.49,;11.53,22.73,;11.93,21.25,;10.84,20.16,;9.3,20.16,;9.3,18.62,;10.84,18.62,;10.06,23.21,;8.73,22.44,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.20,(-5.31,14.81,;-4.92,13.32,;-3.43,12.92,;-6,12.23,;-6.77,10.9,;-8.31,10.9,;-9.08,12.23,;-9.99,13.48,;-11.45,13,;-12.79,13.77,;-14.12,13,;-14.12,11.46,;-15.46,13.77,;-15.46,15.31,;-16.79,13,;-18.12,13.77,;-19.46,13,;-18.12,15.31,;-11.45,11.46,;-12.79,10.69,;-9.99,10.98,;-9.59,9.5,;-10.68,8.41,;-12.22,8.41,;-12.22,6.87,;-10.68,6.87,;-8.31,13.56,;-6.77,13.56,;-4.67,11.46,;-4.67,9.92,;-3.34,9.15,;-2,9.92,;-2,11.46,;-3.34,12.23,)|
CCCN1C(=O)N(CC(=O)NC)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:16.20,13.13,(7.95,6.94,;7.55,8.43,;8.64,9.52,;8.24,11,;6.78,11.48,;5.44,10.71,;6.78,13.02,;5.69,14.11,;4.2,13.71,;3.8,12.22,;3.11,14.8,;1.62,14.4,;8.24,13.49,;9.15,12.25,;9.92,10.91,;11.46,10.91,;12.23,12.25,;11.46,13.58,;9.92,13.58,;13,13.58,;12.23,14.92,;14.54,13.58,;13,10.91,;12.23,9.58,;13,8.25,;14.54,8.25,;15.31,9.58,;14.54,10.91,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CCCOC)C1=O |r,wU:10.13,7.23,(-20.42,4.55,;-18.93,4.95,;-17.84,3.86,;-18.24,2.37,;-16.35,4.26,;-15.26,3.17,;-13.8,3.65,;-12.89,2.4,;-12.12,1.07,;-10.58,1.07,;-9.81,2.4,;-10.58,3.73,;-12.12,3.73,;-9.04,3.73,;-9.81,5.07,;-7.5,3.73,;-9.04,1.07,;-9.81,-.27,;-9.04,-1.6,;-7.5,-1.6,;-6.73,-.27,;-7.5,1.07,;-13.8,1.15,;-13.4,-.33,;-14.49,-1.42,;-14.09,-2.91,;-15.18,-4,;-16.67,-3.6,;-15.26,1.63,;-16.6,.86,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cc(ccn3)S(C)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.25,(15.09,5.68,;15.86,4.34,;17.4,4.34,;15.09,3.01,;14.32,1.68,;12.78,1.68,;12.01,3.01,;11.11,4.26,;9.64,3.78,;8.31,4.55,;6.98,3.78,;6.98,2.24,;5.64,4.55,;4.31,3.78,;4.31,2.24,;2.98,1.47,;1.64,2.24,;1.64,3.78,;2.98,4.55,;2.98,-.07,;1.64,-.84,;4.31,-.84,;9.64,2.24,;8.31,1.47,;11.11,1.76,;11.51,.28,;10.42,-.81,;8.88,-.81,;8.88,-2.35,;10.42,-2.35,;12.78,4.34,;14.32,4.34,;15.86,1.68,;15.09,.34,;15.86,-.99,;17.4,-.99,;18.17,.34,;17.4,1.68,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ncccc3O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(-6.95,-6.8,;-6.18,-8.13,;-4.64,-8.13,;-6.95,-9.47,;-7.72,-10.8,;-9.26,-10.8,;-10.03,-9.47,;-10.93,-8.22,;-12.4,-8.7,;-13.73,-7.93,;-15.06,-8.7,;-15.06,-10.24,;-16.4,-7.93,;-17.73,-8.7,;-19.07,-7.93,;-20.4,-8.7,;-20.4,-10.24,;-19.07,-11.01,;-17.73,-10.24,;-16.4,-11.01,;-12.4,-10.24,;-13.73,-11.01,;-10.93,-10.71,;-10.53,-12.2,;-11.62,-13.29,;-13.16,-13.29,;-13.16,-14.83,;-11.62,-14.83,;-9.26,-8.13,;-7.72,-8.13,;-6.18,-10.8,;-6.95,-12.13,;-6.18,-13.47,;-4.64,-13.47,;-3.87,-12.13,;-4.64,-10.8,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.21,(17.11,-6.79,;17.5,-8.28,;18.99,-8.68,;16.42,-9.37,;15.65,-10.7,;14.11,-10.7,;13.34,-9.37,;12.43,-8.12,;10.97,-8.6,;9.63,-7.83,;8.3,-8.6,;8.3,-10.14,;6.96,-7.83,;5.63,-8.6,;4.3,-7.83,;2.96,-8.6,;1.63,-7.83,;1.87,-9.69,;4.05,-9.69,;10.97,-10.14,;9.63,-10.91,;12.43,-10.62,;12.83,-12.1,;11.74,-13.19,;10.2,-13.19,;10.2,-14.73,;11.74,-14.73,;14.11,-8.04,;15.65,-8.04,;17.75,-10.14,;17.75,-11.68,;19.08,-12.45,;20.42,-11.68,;20.42,-10.14,;19.08,-9.37,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccc(cn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.26,(-4.29,-18.62,;-3.52,-19.95,;-1.98,-19.95,;-4.29,-21.29,;-5.06,-22.62,;-6.6,-22.62,;-7.37,-21.29,;-8.28,-20.04,;-9.74,-20.52,;-11.08,-19.75,;-12.41,-20.52,;-12.41,-22.06,;-13.74,-19.75,;-15.08,-20.52,;-15.08,-22.06,;-16.41,-22.83,;-17.74,-22.06,;-17.74,-20.52,;-16.41,-19.75,;-19.08,-22.83,;-20.41,-22.06,;-20.17,-23.91,;-17.99,-23.91,;-9.74,-22.06,;-11.08,-22.83,;-8.28,-22.53,;-7.88,-24.02,;-8.97,-25.11,;-10.51,-25.11,;-10.51,-26.65,;-8.97,-26.65,;-6.6,-19.95,;-5.06,-19.95,;-3.52,-22.62,;-4.29,-23.95,;-3.52,-25.29,;-1.98,-25.29,;-1.21,-23.95,;-1.98,-22.62,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3C[C@H](O)[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,16.16,14.14,(16.47,-20.98,;16.87,-22.47,;18.35,-22.87,;15.78,-23.56,;15.01,-24.89,;13.47,-24.89,;12.7,-23.56,;11.79,-22.31,;10.33,-22.79,;8.99,-22.02,;7.66,-22.79,;7.66,-24.33,;6.33,-22.02,;6.16,-20.49,;4.66,-20.17,;3.89,-18.83,;3.89,-21.5,;2.35,-21.5,;4.92,-22.65,;10.33,-24.33,;8.99,-25.1,;11.79,-24.81,;12.19,-26.29,;11.1,-27.38,;9.56,-27.38,;9.56,-28.92,;11.1,-28.92,;13.47,-22.23,;15.01,-22.23,;17.11,-24.33,;17.11,-25.87,;18.44,-26.64,;19.78,-25.87,;19.78,-24.33,;18.44,-23.56,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.17,(-4.76,29.52,;-4.37,28.03,;-5.45,26.94,;-6.22,25.61,;-7.76,25.61,;-8.53,26.94,;-9.44,28.19,;-10.9,27.71,;-12.24,28.48,;-13.57,27.71,;-13.57,26.17,;-14.91,28.48,;-16.24,27.71,;-17.57,28.48,;-18.91,27.71,;-10.9,26.17,;-12.24,25.4,;-9.44,25.69,;-9.04,24.21,;-10.13,23.12,;-11.67,23.12,;-11.67,21.58,;-10.13,21.58,;-7.76,28.27,;-6.22,28.27,;-4.12,26.17,;-4.12,24.63,;-2.79,23.86,;-1.45,24.63,;-1.45,26.17,;-2.79,26.94,)|
CN(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccncn2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.29,21.22,(10.84,19.66,;11.93,20.75,;13.42,20.35,;11.53,22.24,;10.05,22.63,;12.62,23.33,;12.22,24.81,;10.76,25.29,;9.43,24.52,;10.76,26.83,;9.67,27.92,;8.18,27.52,;7.78,26.03,;7.09,28.61,;5.61,28.21,;5.21,26.72,;3.72,26.32,;2.63,27.41,;3.03,28.9,;4.52,29.3,;12.22,27.3,;13.13,26.06,;13.9,24.72,;15.44,24.72,;16.21,26.06,;15.44,27.39,;13.9,27.39,;16.98,27.39,;16.21,28.73,;18.52,27.39,;16.98,24.72,;16.21,23.39,;16.98,22.06,;18.52,22.06,;19.29,23.39,;18.52,24.72,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC(=O)N(C)C)C1=O |r,wU:10.13,7.23,(-19.63,16.66,;-18.14,17.06,;-17.05,15.97,;-17.45,14.48,;-15.57,16.37,;-14.48,15.28,;-13.01,15.76,;-12.11,14.51,;-11.34,13.18,;-9.8,13.18,;-9.03,14.51,;-9.8,15.84,;-11.34,15.84,;-8.26,15.84,;-9.03,17.18,;-6.72,15.84,;-8.26,13.18,;-9.03,11.84,;-8.26,10.51,;-6.72,10.51,;-5.95,11.84,;-6.72,13.18,;-13.01,13.26,;-12.61,11.78,;-13.7,10.69,;-15.19,11.09,;-13.3,9.2,;-14.39,8.11,;-11.82,8.8,;-14.48,13.74,;-15.81,12.97,)|
CC(C)CN1C(=O)N(CC(=O)NCC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.24,17.17,(12.27,7.53,;11.87,9.02,;10.39,9.42,;12.96,10.11,;12.57,11.6,;11.1,12.07,;9.77,11.3,;11.1,13.61,;10.01,14.7,;8.52,14.3,;8.13,12.82,;7.44,15.39,;5.95,14.99,;4.86,16.08,;3.37,15.68,;5.26,17.57,;12.57,14.09,;13.47,12.84,;14.24,11.51,;15.78,11.51,;16.55,12.84,;15.78,14.18,;14.24,14.18,;17.32,14.18,;16.55,15.51,;18.86,14.18,;17.32,11.51,;16.55,10.18,;17.32,8.84,;18.86,8.84,;19.63,10.18,;18.86,11.51,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.15,(-9.55,5.75,;-8.78,4.41,;-7.24,4.41,;-9.55,3.08,;-10.32,1.75,;-11.86,1.75,;-12.63,3.08,;-13.54,4.33,;-15,3.85,;-16.09,4.94,;-17.58,4.54,;-18.67,5.63,;-17.98,3.05,;-15,2.31,;-16.34,1.54,;-13.54,1.84,;-12.77,.5,;-13.54,-.83,;-12.21,-1.6,;-15.03,-1.23,;-14.63,-2.72,;-13.14,-2.32,;-11.86,4.41,;-10.32,4.41,;-8.78,1.75,;-9.55,.41,;-8.78,-.92,;-7.24,-.92,;-6.47,.41,;-7.24,1.75,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:10.13,7.23,(2.41,4.71,;3.9,5.11,;4.99,4.02,;4.59,2.53,;6.47,4.42,;7.56,3.33,;9.03,3.81,;9.93,2.56,;10.7,1.23,;12.24,1.23,;13.01,2.56,;12.24,3.89,;10.7,3.89,;13.78,3.89,;13.01,5.23,;15.32,3.89,;13.78,1.23,;13.01,-.11,;13.78,-1.44,;15.32,-1.44,;16.09,-.11,;15.32,1.23,;9.03,1.31,;9.8,-.02,;9.03,-1.35,;10.36,-2.12,;7.54,-1.75,;7.94,-3.24,;9.43,-2.84,;7.56,1.79,;6.23,1.02,)|
COCCCN1C(=O)N(CC(=O)NCC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:21.25,18.18,(-12.34,-16.41,;-10.86,-16.81,;-9.77,-15.72,;-10.17,-14.23,;-9.08,-13.14,;-9.48,-11.65,;-10.94,-11.18,;-12.27,-11.95,;-10.94,-9.64,;-12.03,-8.55,;-13.52,-8.95,;-13.92,-10.43,;-14.61,-7.86,;-16.09,-8.26,;-17.18,-7.17,;-18.67,-7.57,;-16.78,-5.68,;-9.48,-9.16,;-8.57,-10.41,;-7.8,-11.74,;-6.26,-11.74,;-5.49,-10.41,;-6.26,-9.07,;-7.8,-9.07,;-4.72,-9.07,;-5.49,-7.74,;-3.18,-9.07,;-4.72,-11.74,;-5.49,-13.07,;-4.72,-14.41,;-3.18,-14.41,;-2.41,-13.07,;-3.18,-11.74,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC(C)C)C1=O |r,wU:10.13,7.23,(2.41,-6.59,;3.9,-6.19,;4.99,-7.28,;4.59,-8.77,;6.47,-6.88,;7.56,-7.97,;9.03,-7.5,;9.93,-8.74,;10.7,-10.07,;12.24,-10.07,;13.01,-8.74,;12.24,-7.41,;10.7,-7.41,;13.78,-7.41,;13.01,-6.07,;15.32,-7.41,;13.78,-10.07,;13.01,-11.41,;13.78,-12.74,;15.32,-12.74,;16.09,-11.41,;15.32,-10.07,;9.03,-9.99,;9.43,-11.47,;8.34,-12.56,;8.74,-14.05,;6.85,-12.16,;7.56,-9.51,;6.23,-10.28,)|
CN[C@]1(CC[C@]2(CN(CC(=O)N3C[C@H](O)[C@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.21,15.15,13.13,(-5.48,-21.49,;-4.71,-22.82,;-5.48,-24.15,;-6.25,-25.49,;-7.79,-25.49,;-8.56,-24.15,;-9.46,-22.91,;-10.93,-23.38,;-12.26,-22.61,;-13.6,-23.38,;-13.6,-24.92,;-14.93,-22.61,;-15.09,-21.08,;-16.6,-20.76,;-17.37,-19.43,;-17.37,-22.1,;-18.91,-22.1,;-16.34,-23.24,;-10.93,-24.92,;-12.26,-25.69,;-9.46,-25.4,;-9.07,-26.89,;-10.15,-27.98,;-11.69,-27.98,;-11.69,-29.52,;-10.15,-29.52,;-7.79,-22.82,;-6.25,-22.82,;-4.71,-25.49,;-5.48,-26.82,;-4.71,-28.15,;-3.17,-28.15,;-2.4,-26.82,;-3.17,-25.49,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(C)CCC2)C1=O |r,wU:10.13,7.23,(2.42,-21.01,;3.75,-20.24,;5.08,-21.01,;5.08,-22.55,;6.42,-20.24,;7.75,-21.01,;9.22,-20.54,;10.12,-21.78,;10.89,-23.12,;12.43,-23.12,;13.2,-21.78,;12.43,-20.45,;10.89,-20.45,;14.29,-20.69,;13.89,-19.21,;15.78,-21.09,;14.53,-22.55,;14.53,-24.09,;15.87,-24.86,;17.2,-24.09,;17.2,-22.55,;15.87,-21.78,;9.22,-23.03,;9.61,-24.52,;8.53,-25.6,;10.01,-26,;6.99,-25.6,;6.99,-27.14,;8.53,-27.14,;7.75,-22.55,;6.42,-23.32,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncn3)C(=O)N2CC2(C)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(-5.87,29.05,;-5.47,27.56,;-3.98,27.17,;-6.56,26.48,;-7.33,25.14,;-8.87,25.14,;-9.64,26.48,;-10.54,27.72,;-12.01,27.25,;-13.34,28.02,;-14.68,27.25,;-14.68,25.71,;-16.01,28.02,;-17.34,27.25,;-17.34,25.71,;-18.68,24.94,;-20.01,25.71,;-20.01,27.25,;-18.68,28.02,;-12.01,25.71,;-13.34,24.94,;-10.54,25.23,;-10.14,23.74,;-11.23,22.65,;-9.75,22.26,;-12.77,22.65,;-12.77,21.11,;-11.23,21.11,;-8.87,27.81,;-7.33,27.81,;-5.22,25.71,;-5.22,24.17,;-3.89,23.4,;-2.56,24.17,;-2.56,25.71,;-3.89,26.48,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2(C)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.19,(16.91,28.33,;17.31,26.84,;18.8,26.44,;16.22,25.75,;15.45,24.42,;13.91,24.42,;13.14,25.75,;12.24,27,;10.77,26.52,;9.44,27.29,;8.11,26.52,;8.11,24.98,;6.77,27.29,;5.44,26.52,;4.11,27.29,;2.77,26.52,;4.11,28.83,;10.77,24.98,;9.44,24.21,;12.24,24.5,;12.64,23.02,;11.55,21.93,;13.04,21.53,;10.01,21.93,;10.01,20.39,;11.55,20.39,;13.91,27.08,;15.45,27.08,;17.56,24.98,;17.56,23.44,;18.89,22.67,;20.22,23.44,;20.22,24.98,;18.89,25.75,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2(C)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.18,(-5.36,16.66,;-4.97,15.18,;-3.48,14.78,;-6.05,14.09,;-6.82,12.75,;-8.36,12.75,;-9.13,14.09,;-10.04,15.33,;-11.5,14.86,;-12.84,15.63,;-14.17,14.86,;-14.17,13.32,;-15.51,15.63,;-16.84,14.86,;-18.17,15.63,;-19.51,14.86,;-11.5,13.32,;-12.84,12.55,;-10.04,12.84,;-9.64,11.35,;-10.73,10.27,;-9.24,9.87,;-12.27,10.27,;-12.27,8.73,;-10.73,8.73,;-8.36,15.42,;-6.82,15.42,;-4.72,13.32,;-4.72,11.78,;-3.39,11.01,;-2.05,11.78,;-2.05,13.32,;-3.39,14.09,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(18.8,14.05,;17.31,14.45,;16.91,15.94,;16.22,13.36,;15.45,12.03,;13.91,12.03,;13.14,13.36,;12.24,14.61,;10.77,14.13,;9.44,14.9,;8.11,14.13,;8.11,12.59,;6.77,14.9,;5.44,14.13,;4.11,14.9,;2.77,14.13,;4.11,16.44,;10.77,12.59,;9.44,11.82,;12.24,12.12,;12.64,10.63,;11.55,9.54,;11.15,8.05,;10.06,9.14,;13.91,14.7,;15.45,14.7,;16.99,12.03,;18.53,12.03,;19.3,10.7,;18.53,9.36,;16.99,9.36,;16.22,10.7,)|
CCN(C)[C@]1(CC[C@]2(CN(CC(=O)NC)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:4.3,7.17,(-6.36,6.52,;-7.13,5.19,;-8.67,5.19,;-9.44,6.52,;-9.44,3.85,;-10.21,2.52,;-11.75,2.52,;-12.52,3.85,;-13.43,5.1,;-14.89,4.62,;-16.22,5.39,;-17.56,4.62,;-17.56,3.08,;-18.89,5.39,;-20.22,4.62,;-14.89,3.08,;-16.22,2.31,;-13.43,2.61,;-12.66,1.27,;-13.43,-.06,;-14.91,-.46,;-14.51,-1.95,;-13.03,-1.55,;-11.75,5.19,;-10.21,5.19,;-8.67,2.52,;-9.44,1.18,;-8.67,-.15,;-7.13,-.15,;-6.36,1.18,;-7.13,2.52,)|
CCCN1C(=O)N(CC(=O)NCC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.23,16.16,(12.74,-3.67,;11.97,-2.34,;12.74,-1,;11.97,.33,;10.5,.81,;9.17,.04,;10.5,2.35,;9.41,3.43,;7.92,3.04,;7.53,1.55,;6.84,4.12,;5.35,3.73,;4.26,4.82,;2.77,4.42,;4.66,6.3,;11.97,2.82,;12.87,1.58,;13.64,.24,;15.18,.24,;15.95,1.58,;15.18,2.91,;13.64,2.91,;16.72,2.91,;15.95,4.24,;18.26,2.91,;16.72,.24,;15.95,-1.09,;16.72,-2.43,;18.26,-2.43,;19.03,-1.09,;18.26,.24,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.19,(-6.09,-7.65,;-5.32,-8.99,;-3.78,-8.99,;-6.09,-10.32,;-6.86,-11.66,;-8.4,-11.66,;-9.17,-10.32,;-10.08,-9.08,;-11.54,-9.55,;-12.63,-8.46,;-14.12,-8.86,;-14.52,-10.35,;-15.21,-7.77,;-16.69,-8.17,;-17.78,-7.08,;-19.27,-7.48,;-17.38,-5.59,;-11.54,-11.09,;-12.87,-11.86,;-10.08,-11.57,;-9.68,-13.06,;-10.77,-14.14,;-9.43,-14.91,;-12.31,-14.14,;-12.31,-15.68,;-10.77,-15.68,;-8.4,-8.99,;-6.86,-8.99,;-5.32,-11.66,;-6.09,-12.99,;-5.32,-14.32,;-3.78,-14.32,;-3.01,-12.99,;-3.78,-11.66,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.18,(15.71,-5.99,;16.48,-7.32,;18.02,-7.32,;15.71,-8.66,;14.94,-9.99,;13.4,-9.99,;12.63,-8.66,;11.73,-7.41,;10.26,-7.89,;9.18,-6.8,;7.69,-7.2,;7.29,-8.68,;6.6,-6.11,;5.11,-6.51,;4.02,-5.42,;2.53,-5.81,;10.26,-9.43,;8.93,-10.2,;11.73,-9.9,;12.13,-11.39,;11.04,-12.48,;12.37,-13.25,;9.5,-12.48,;9.5,-14.02,;11.04,-14.02,;13.4,-7.32,;14.94,-7.32,;16.48,-9.99,;15.71,-11.32,;16.48,-12.66,;18.02,-12.66,;18.79,-11.32,;18.02,-9.99,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.24,(-4.93,-21.02,;-4.16,-22.36,;-2.62,-22.36,;-4.93,-23.69,;-5.7,-25.02,;-7.24,-25.02,;-8.01,-23.69,;-8.91,-22.44,;-10.38,-22.92,;-11.47,-21.83,;-12.96,-22.23,;-13.35,-23.72,;-14.04,-21.14,;-15.53,-21.54,;-16.62,-20.45,;-18.11,-20.85,;-18.51,-22.34,;-18.91,-23.82,;-19.99,-21.94,;-17.42,-23.43,;-15.93,-23.03,;-10.38,-24.46,;-11.71,-25.23,;-8.91,-24.94,;-8.52,-26.42,;-9.6,-27.51,;-8.27,-28.28,;-11.14,-27.51,;-11.14,-29.05,;-9.6,-29.05,;-7.24,-22.36,;-5.7,-22.36,;-4.16,-25.02,;-4.93,-26.36,;-4.16,-27.69,;-2.62,-27.69,;-1.85,-26.36,;-2.62,-25.02,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CC2)C1=O |r,wU:10.13,7.23,(1.82,-22.31,;3.15,-21.54,;4.48,-22.31,;4.48,-23.85,;5.82,-21.54,;7.15,-22.31,;8.62,-21.83,;9.52,-23.08,;10.29,-24.41,;11.83,-24.41,;12.6,-23.08,;11.83,-21.75,;10.29,-21.75,;13.37,-21.75,;12.6,-20.41,;14.91,-21.75,;13.37,-24.41,;12.6,-25.75,;13.37,-27.08,;14.91,-27.08,;15.68,-25.75,;14.91,-24.41,;8.62,-24.33,;9.01,-25.81,;7.93,-26.9,;6.44,-27.3,;7.53,-28.39,;7.15,-23.85,;5.82,-24.62,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(CCC2)C#N)C1=O |r,wU:10.13,7.23,(-21.05,32.08,;-19.56,32.48,;-18.48,31.39,;-18.87,29.9,;-16.99,31.79,;-15.9,30.7,;-14.43,31.18,;-13.53,29.93,;-12.76,28.6,;-11.22,28.6,;-10.45,29.93,;-11.22,31.27,;-12.76,31.27,;-9.68,31.27,;-10.45,32.6,;-8.14,31.27,;-9.68,28.6,;-10.45,27.26,;-9.68,25.93,;-8.14,25.93,;-7.37,27.26,;-8.14,28.6,;-14.43,28.69,;-14.04,27.2,;-15.12,26.11,;-16.66,26.11,;-16.66,24.57,;-15.12,24.57,;-13.64,25.71,;-12.15,25.31,;-15.9,29.16,;-17.23,28.39,)|
CCN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:4.3,7.19,(17.97,32.6,;17.2,31.27,;15.66,31.27,;14.89,32.6,;14.89,29.93,;14.12,28.6,;12.58,28.6,;11.81,29.93,;10.91,31.18,;9.44,30.7,;8.35,31.79,;6.87,31.39,;6.47,29.9,;5.78,32.48,;4.29,32.08,;3.2,33.17,;1.71,32.77,;9.44,29.16,;8.11,28.39,;10.91,28.69,;11.31,27.2,;10.22,26.11,;8.68,26.11,;8.68,24.57,;10.22,24.57,;12.58,31.27,;14.12,31.27,;15.66,28.6,;14.89,27.26,;15.66,25.93,;17.2,25.93,;17.97,27.26,;17.2,28.6,)|
CCN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:4.3,7.20,(-3.65,20.94,;-4.42,19.61,;-5.96,19.61,;-6.73,20.94,;-6.73,18.27,;-7.5,16.94,;-9.04,16.94,;-9.81,18.27,;-10.72,19.52,;-12.18,19.04,;-13.27,20.13,;-14.76,19.73,;-15.16,18.25,;-16.09,20.5,;-17.42,19.73,;-18.76,20.5,;-20.09,19.73,;-18.76,22.04,;-12.18,17.5,;-13.51,16.73,;-10.72,17.03,;-10.32,15.54,;-11.41,14.45,;-12.95,14.45,;-12.95,12.91,;-11.41,12.91,;-9.04,19.61,;-7.5,19.61,;-5.96,16.94,;-6.73,15.61,;-5.96,14.27,;-4.42,14.27,;-3.65,15.61,;-4.42,16.94,)|
CNC(=O)C(C)(C)NC(=O)CN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2CCC2)C1=O |r,wU:16.19,13.28,(1.7,16.51,;1.7,18.05,;3.03,18.82,;4.36,18.05,;3.03,20.36,;1.7,19.59,;1.7,21.13,;4.36,21.13,;5.7,20.36,;5.7,18.82,;7.03,21.13,;8.37,20.36,;9.83,20.84,;10.74,19.59,;11.51,18.26,;13.05,18.26,;13.82,19.59,;13.05,20.93,;11.51,20.93,;14.59,20.93,;13.82,22.26,;14.59,18.26,;13.82,16.93,;14.59,15.59,;16.13,15.59,;16.9,16.93,;16.13,18.26,;9.83,18.35,;10.23,16.86,;9.14,15.77,;7.6,15.77,;7.6,14.23,;9.14,14.23,;8.37,18.82,;7.03,18.05,)|
COCCCN1C(=O)N(CC(=O)NCCO)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.24,17.17,(-11.84,-1.62,;-12.24,-.13,;-11.15,.96,;-11.55,2.45,;-10.46,3.54,;-10.86,5.02,;-12.33,5.5,;-13.66,4.73,;-12.33,7.04,;-13.66,7.81,;-14.99,7.04,;-14.99,5.5,;-16.33,7.81,;-17.66,7.04,;-18.99,7.81,;-20.33,7.04,;-10.86,7.52,;-9.96,6.27,;-9.19,4.94,;-7.65,4.94,;-6.88,6.27,;-7.65,7.6,;-9.19,7.6,;-5.79,7.36,;-6.19,8.85,;-4.3,6.96,;-5.54,5.5,;-5.54,3.96,;-4.21,3.19,;-2.88,3.96,;-2.88,5.5,;-4.21,6.27,)|
CNC(=O)CN(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CCCOC)C1=O |r,wU:15.18,12.28,(1.7,4.77,;1.7,6.31,;3.03,7.08,;3.03,8.62,;4.36,6.31,;5.7,7.08,;5.7,8.62,;7.03,6.31,;7.03,4.77,;8.37,7.08,;9.7,6.31,;11.16,6.79,;12.07,5.54,;12.84,4.21,;14.38,4.21,;15.15,5.54,;14.38,6.88,;12.84,6.88,;16.24,6.63,;15.84,8.12,;17.73,6.23,;16.48,4.77,;16.48,3.23,;17.82,2.46,;19.15,3.23,;19.15,4.77,;17.82,5.54,;11.16,4.3,;11.56,2.81,;10.47,1.72,;10.87,.23,;9.78,-.85,;10.18,-2.34,;9.7,4.77,;8.37,4,)|
COCCCN1C(=O)N(CC(=O)N2CCNC(=O)C2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,(-13.19,-18.83,;-13.59,-17.34,;-12.5,-16.25,;-12.9,-14.76,;-11.81,-13.67,;-12.21,-12.19,;-13.68,-11.71,;-15.01,-12.48,;-13.68,-10.17,;-15.01,-9.4,;-16.34,-10.17,;-16.34,-11.71,;-17.68,-9.4,;-19.01,-10.17,;-20.34,-9.4,;-20.34,-7.86,;-19.01,-7.09,;-19.01,-5.55,;-17.68,-7.86,;-12.21,-9.7,;-11.31,-10.94,;-10.54,-12.28,;-9,-12.28,;-8.23,-10.94,;-9,-9.61,;-10.54,-9.61,;-7.14,-9.85,;-7.54,-8.36,;-5.65,-10.25,;-6.89,-11.71,;-6.89,-13.25,;-5.56,-14.02,;-4.22,-13.25,;-4.22,-11.71,;-5.56,-10.94,)|
COCCCN1C(=O)N(CC(=O)N(C)CC(N)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.26,19.19,(10.43,-16.52,;10.04,-15.03,;11.12,-13.94,;10.73,-12.45,;11.82,-11.36,;11.42,-9.88,;9.95,-9.4,;8.62,-10.17,;9.95,-7.86,;8.62,-7.09,;7.28,-7.86,;7.28,-9.4,;5.95,-7.09,;5.95,-5.55,;4.62,-7.86,;3.28,-7.09,;1.95,-7.86,;3.28,-5.55,;11.42,-7.39,;12.32,-8.63,;13.09,-9.97,;14.63,-9.97,;15.4,-8.63,;14.63,-7.3,;13.09,-7.3,;16.49,-7.54,;16.09,-6.05,;17.98,-7.94,;16.74,-9.4,;16.74,-10.94,;18.07,-11.71,;19.4,-10.94,;19.4,-9.4,;18.07,-8.63,)|
COCCCN1C(=O)N(CC(=O)NC[C@@H]2C[C@H](O)C2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,14.13,16.16,(-9.96,-33.17,;-10.36,-31.68,;-9.27,-30.59,;-9.67,-29.11,;-8.58,-28.02,;-8.98,-26.53,;-10.44,-26.05,;-11.77,-26.82,;-10.44,-24.51,;-11.77,-23.74,;-13.11,-24.51,;-13.11,-26.05,;-14.44,-23.74,;-15.77,-24.51,;-17.11,-23.74,;-17.51,-22.26,;-18.99,-22.66,;-20.33,-21.89,;-18.6,-24.14,;-8.98,-24.04,;-8.07,-25.28,;-7.3,-26.62,;-5.76,-26.62,;-4.99,-25.28,;-5.76,-23.95,;-7.3,-23.95,;-3.9,-24.2,;-4.3,-22.71,;-2.41,-24.59,;-3.66,-26.05,;-3.66,-27.59,;-2.32,-28.36,;-.99,-27.59,;-.99,-26.05,;-2.32,-25.28,)|
COCCCN1C(=O)N(CC(=O)NC[C@H]2C[C@H](O)C2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,16.16,wD:14.13,(12.08,-33.17,;11.69,-31.68,;12.77,-30.59,;12.38,-29.11,;13.46,-28.02,;13.07,-26.53,;11.6,-26.05,;10.27,-26.82,;11.6,-24.51,;10.27,-23.74,;8.93,-24.51,;8.93,-26.05,;7.6,-23.74,;6.27,-24.51,;4.93,-23.74,;4.53,-22.26,;3.05,-22.66,;1.71,-21.89,;3.45,-24.14,;13.07,-24.04,;13.97,-25.28,;14.74,-26.62,;16.28,-26.62,;17.05,-25.28,;16.28,-23.95,;14.74,-23.95,;18.14,-24.2,;17.74,-22.71,;19.63,-24.59,;18.38,-26.05,;18.38,-27.59,;19.72,-28.36,;21.05,-27.59,;21.05,-26.05,;19.72,-25.28,)|
COCCCN1C(=O)N(CC(=O)NCC2CCC(O)C2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.29,21.22,(-10.21,13.01,;-10.61,14.5,;-9.52,15.58,;-9.92,17.07,;-8.83,18.16,;-9.23,19.65,;-10.69,20.12,;-12.03,19.35,;-10.69,21.66,;-12.03,22.43,;-13.36,21.66,;-13.36,20.12,;-14.7,22.43,;-16.03,21.66,;-17.36,22.43,;-18.77,21.81,;-19.8,22.95,;-19.03,24.29,;-19.8,25.62,;-17.52,23.97,;-9.23,22.14,;-8.32,20.89,;-7.55,19.56,;-6.01,19.56,;-5.24,20.89,;-6.01,22.23,;-7.55,22.23,;-4.16,21.98,;-4.55,23.47,;-2.67,21.58,;-3.91,20.12,;-3.91,18.58,;-2.58,17.81,;-1.24,18.58,;-1.24,20.12,;-2.58,20.89,)|
COCCCN1C(=O)N(CC(=O)Nc2ccnnc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,(10.22,15.38,;9.82,16.87,;10.91,17.96,;10.51,19.44,;11.6,20.53,;11.2,22.02,;9.74,22.5,;8.41,21.73,;9.74,24.04,;8.41,24.81,;7.07,24.04,;7.07,22.5,;5.74,24.81,;4.4,24.04,;4.4,22.5,;3.07,21.73,;1.74,22.5,;1.74,24.04,;3.07,24.81,;11.2,24.51,;12.11,23.27,;12.88,21.93,;14.42,21.93,;15.19,23.27,;14.42,24.6,;12.88,24.6,;16.28,24.35,;15.88,25.84,;17.77,23.96,;16.52,22.5,;16.52,20.96,;17.86,20.19,;19.19,20.96,;19.19,22.5,;17.86,23.27,)|
COCCCN1C(=O)N(CC(=O)Nc2cccc(OC)n2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:25.30,22.23,(-9.37,-.04,;-9.76,1.45,;-8.68,2.54,;-9.07,4.03,;-7.99,5.11,;-8.38,6.6,;-9.85,7.08,;-11.18,6.31,;-9.85,8.62,;-11.18,9.39,;-12.52,8.62,;-12.52,7.08,;-13.85,9.39,;-15.18,8.62,;-15.18,7.08,;-16.52,6.31,;-17.85,7.08,;-17.85,8.62,;-19.18,9.39,;-20.52,8.62,;-16.52,9.39,;-8.38,9.09,;-7.48,7.85,;-6.71,6.51,;-5.17,6.51,;-4.4,7.85,;-5.17,9.18,;-6.71,9.18,;-3.31,8.94,;-3.71,10.42,;-1.82,8.54,;-3.07,7.08,;-3.07,5.54,;-1.73,4.77,;-.4,5.54,;-.4,7.08,;-1.73,7.85,)|
COCCCN1C(=O)N(CC(=O)NCCC#N)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:21.25,18.18,(11.56,-.04,;11.16,1.45,;12.25,2.54,;11.85,4.03,;12.94,5.11,;12.54,6.6,;11.07,7.08,;9.74,6.31,;11.07,8.62,;9.74,9.39,;8.41,8.62,;8.41,7.08,;7.07,9.39,;5.74,8.62,;4.4,9.39,;3.07,8.62,;1.74,7.85,;12.54,9.09,;13.44,7.85,;14.21,6.51,;15.75,6.51,;16.52,7.85,;15.75,9.18,;14.21,9.18,;17.61,8.94,;17.21,10.42,;19.1,8.54,;17.86,7.08,;17.86,5.54,;19.19,4.77,;20.52,5.54,;20.52,7.08,;19.19,7.85,)|
COCCCN1C(=O)N(CC(=O)Nc2cncnc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,(-11.82,-12.74,;-12.22,-11.25,;-11.13,-10.16,;-11.53,-8.67,;-10.44,-7.59,;-10.84,-6.1,;-12.3,-5.62,;-13.64,-6.39,;-12.3,-4.08,;-13.64,-3.31,;-14.97,-4.08,;-14.97,-5.62,;-16.3,-3.31,;-17.64,-4.08,;-18.97,-3.31,;-20.3,-4.08,;-20.3,-5.62,;-18.97,-6.39,;-17.64,-5.62,;-10.84,-3.61,;-9.93,-4.85,;-9.16,-6.19,;-7.62,-6.19,;-6.85,-4.85,;-7.62,-3.52,;-9.16,-3.52,;-5.76,-3.76,;-6.16,-2.28,;-4.28,-4.16,;-5.52,-5.62,;-5.52,-7.16,;-4.18,-7.93,;-2.85,-7.16,;-2.85,-5.62,;-4.18,-4.85,)|
COCCCN1C(=O)N(CC(=O)Nc2ccncn2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:23.28,20.21,(10.22,-12.74,;9.82,-11.25,;10.91,-10.16,;10.51,-8.67,;11.6,-7.59,;11.2,-6.1,;9.74,-5.62,;8.41,-6.39,;9.74,-4.08,;8.41,-3.31,;7.07,-4.08,;7.07,-5.62,;5.74,-3.31,;4.4,-4.08,;4.4,-5.62,;3.07,-6.39,;1.74,-5.62,;1.74,-4.08,;3.07,-3.31,;11.2,-3.61,;12.11,-4.85,;12.88,-6.19,;14.42,-6.19,;15.19,-4.85,;14.42,-3.52,;12.88,-3.52,;16.28,-3.76,;15.88,-2.28,;17.77,-4.16,;16.52,-5.62,;16.52,-7.16,;17.86,-7.93,;19.19,-7.16,;19.19,-5.62,;17.86,-4.85,)|
CCN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(OC)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:4.3,7.25,(-1.69,-17.81,;-2.46,-19.15,;-4,-19.15,;-4.77,-17.81,;-4.77,-20.48,;-5.54,-21.81,;-7.08,-21.81,;-7.85,-20.48,;-8.75,-19.23,;-10.22,-19.71,;-11.31,-18.62,;-12.79,-19.02,;-13.19,-20.51,;-13.88,-17.93,;-15.37,-18.33,;-15.77,-19.82,;-17.26,-20.22,;-18.35,-19.13,;-17.95,-17.64,;-19.04,-16.55,;-20.52,-16.95,;-16.46,-17.24,;-10.22,-21.25,;-11.55,-22.02,;-8.75,-21.73,;-8.35,-23.21,;-9.44,-24.3,;-10.98,-24.3,;-10.98,-25.84,;-9.44,-25.84,;-7.08,-19.15,;-5.54,-19.15,;-4,-21.81,;-4.77,-23.15,;-4,-24.48,;-2.46,-24.48,;-1.69,-23.15,;-2.46,-21.81,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccnc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(15.12,-16.94,;15.89,-18.28,;17.43,-18.28,;15.12,-19.61,;14.35,-20.94,;12.81,-20.94,;12.04,-19.61,;11.13,-18.36,;9.67,-18.84,;8.58,-17.75,;7.09,-18.15,;6.69,-19.64,;6,-17.06,;4.51,-17.46,;3.42,-16.37,;1.94,-16.77,;1.54,-18.26,;2.63,-19.35,;4.11,-18.95,;9.67,-20.38,;8.33,-21.15,;11.13,-20.86,;11.53,-22.34,;10.44,-23.43,;11.77,-24.2,;8.9,-23.43,;8.9,-24.97,;10.44,-24.97,;12.81,-18.28,;14.35,-18.28,;15.89,-20.94,;15.12,-22.28,;15.89,-23.61,;17.43,-23.61,;18.2,-22.28,;17.43,-20.94,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.15,(-9.44,10.21,;-8.67,8.87,;-7.13,8.87,;-9.44,7.54,;-10.21,6.21,;-11.75,6.21,;-12.52,7.54,;-13.43,8.78,;-14.89,8.31,;-15.98,9.4,;-17.47,9,;-18.56,10.09,;-17.87,7.51,;-14.89,6.77,;-16.23,6,;-13.43,6.29,;-13.03,4.81,;-14.12,3.72,;-15.66,3.72,;-15.66,2.18,;-14.12,2.18,;-11.75,8.87,;-10.21,8.87,;-8.67,6.21,;-9.44,4.87,;-8.67,3.54,;-7.13,3.54,;-6.36,4.87,;-7.13,6.21,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(16.32,9.69,;17.09,8.35,;18.63,8.35,;16.32,7.02,;15.55,5.68,;14.01,5.68,;13.24,7.02,;12.34,8.26,;10.87,7.79,;9.78,8.88,;8.3,8.48,;7.9,6.99,;7.21,9.57,;5.72,9.17,;4.63,10.26,;3.14,9.86,;2.74,8.37,;3.83,7.28,;5.32,7.68,;10.87,6.25,;9.54,5.48,;12.34,5.77,;12.73,4.28,;11.65,3.2,;10.11,3.2,;10.11,1.66,;11.65,1.66,;14.01,8.35,;15.55,8.35,;17.09,5.68,;16.32,4.35,;17.09,3.02,;18.63,3.02,;19.4,4.35,;18.63,5.68,)|
COCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.16,10.26,(-19.51,-.48,;-18.42,-1.57,;-16.93,-1.17,;-15.84,-2.26,;-14.35,-1.86,;-13.26,-2.95,;-13.66,-4.44,;-11.78,-2.55,;-10.69,-3.64,;-9.15,-3.56,;-8.6,-5,;-8.2,-6.49,;-6.71,-6.88,;-5.62,-5.79,;-6.02,-4.31,;-7.51,-3.91,;-4.53,-4.71,;-4.93,-3.22,;-3.05,-5.1,;-5.22,-7.28,;-6.31,-8.37,;-5.92,-9.86,;-4.43,-10.26,;-3.34,-9.17,;-3.74,-7.68,;-9.8,-5.97,;-9.8,-7.51,;-11.13,-8.28,;-12.62,-7.88,;-13.02,-9.37,;-11.53,-9.76,;-11.09,-5.13,;-12.57,-5.53,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.18,(16.43,-1.09,;17.2,-2.42,;18.74,-2.42,;16.43,-3.75,;15.66,-5.09,;14.12,-5.09,;13.35,-3.75,;12.44,-2.51,;10.98,-2.98,;9.89,-1.89,;8.4,-2.29,;8,-3.78,;7.31,-1.2,;5.82,-1.6,;4.73,-.51,;3.25,-.91,;10.98,-4.52,;9.64,-5.29,;12.44,-5,;12.84,-6.49,;11.75,-7.58,;10.21,-7.58,;10.21,-9.12,;11.75,-9.12,;14.12,-2.42,;15.66,-2.42,;17.2,-5.09,;16.43,-6.42,;17.2,-7.75,;18.74,-7.75,;19.51,-6.42,;18.74,-5.09,)|
COCCOCCOCCOCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:28.44,31.34,(-20.12,31.88,;-19.03,30.79,;-17.55,31.19,;-16.46,30.1,;-14.97,30.5,;-13.88,29.41,;-12.39,29.81,;-11.3,28.72,;-9.82,29.12,;-8.73,28.03,;-7.24,28.43,;-6.15,27.34,;-4.66,27.74,;-3.58,26.65,;-2.09,27.05,;-1,25.96,;.49,26.36,;1.58,25.27,;3.07,25.67,;4.15,24.58,;5.64,24.98,;6.73,23.89,;8.22,24.29,;9.31,23.2,;8.91,21.71,;10.79,23.6,;11.88,22.51,;13.42,22.59,;13.97,21.15,;14.74,19.82,;16.28,19.82,;17.05,21.15,;16.28,22.48,;14.74,22.48,;17.82,22.48,;17.05,23.82,;19.36,22.48,;17.82,19.82,;17.05,18.48,;17.82,17.15,;19.36,17.15,;20.13,18.48,;19.36,19.82,;12.78,20.18,;12.38,18.69,;11.29,17.61,;9.75,17.61,;9.75,16.07,;11.29,16.07,;11.49,21.02,;10,20.62,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2CCC2)C1=O |r,wU:10.13,7.22,(-20.13,1.17,;-18.65,1.57,;-17.56,.48,;-17.96,-1.01,;-16.07,.88,;-14.98,-.21,;-13.52,.26,;-12.61,-.98,;-11.84,-2.32,;-10.3,-2.32,;-9.53,-.98,;-10.3,.35,;-11.84,.35,;-8.76,.35,;-9.53,1.68,;-8.76,-2.32,;-9.53,-3.65,;-8.76,-4.98,;-7.22,-4.98,;-6.45,-3.65,;-7.22,-2.32,;-13.52,-2.23,;-13.12,-3.72,;-14.21,-4.81,;-15.75,-4.81,;-15.75,-6.35,;-14.21,-6.35,;-14.98,-1.75,;-16.31,-2.52,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC[C@H]3C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,16.17,(13.75,-.9,;14.52,-2.24,;16.06,-2.24,;13.75,-3.57,;12.98,-4.9,;11.44,-4.9,;10.67,-3.57,;9.77,-2.32,;8.3,-2.8,;6.97,-2.03,;5.63,-2.8,;5.63,-4.34,;4.3,-2.03,;2.84,-2.51,;1.93,-1.26,;2.84,-.01,;4.3,-.49,;5.39,.6,;4.99,2.09,;6.88,.2,;8.3,-4.34,;6.97,-5.11,;9.77,-4.82,;10.17,-6.3,;9.08,-7.39,;7.54,-7.39,;7.54,-8.93,;9.08,-8.93,;11.44,-2.24,;12.98,-2.24,;14.52,-4.9,;13.75,-6.24,;14.52,-7.57,;16.06,-7.57,;16.83,-6.24,;16.06,-4.9,)|
CN(C)C(=O)CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.18,12.28,(-20.13,-12.02,;-18.79,-12.79,;-18.79,-14.33,;-17.46,-12.02,;-17.46,-10.48,;-16.13,-12.79,;-14.79,-12.02,;-13.46,-12.79,;-13.46,-14.33,;-12.13,-12.02,;-10.79,-12.79,;-9.33,-12.31,;-8.42,-13.56,;-7.65,-14.89,;-6.11,-14.89,;-5.34,-13.56,;-6.11,-12.22,;-7.65,-12.22,;-4.57,-12.22,;-5.34,-10.89,;-3.03,-12.22,;-4.57,-14.89,;-5.34,-16.23,;-4.57,-17.56,;-3.03,-17.56,;-2.26,-16.23,;-3.03,-14.89,;-9.33,-14.8,;-8.93,-16.29,;-10.02,-17.38,;-11.56,-17.38,;-11.56,-18.92,;-10.02,-18.92,;-10.79,-14.33,;-12.13,-15.1,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3COC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.20,(14.81,-10.26,;15.58,-11.6,;17.12,-11.6,;14.81,-12.93,;14.04,-14.26,;12.5,-14.26,;11.73,-12.93,;10.83,-11.68,;9.36,-12.16,;8.03,-11.39,;6.7,-12.16,;6.7,-13.7,;5.36,-11.39,;4.03,-12.16,;2.54,-11.76,;2.14,-13.25,;3.63,-13.65,;9.36,-13.7,;8.03,-14.47,;10.83,-14.18,;11.23,-15.66,;10.14,-16.75,;8.6,-16.75,;8.6,-18.29,;10.14,-18.29,;12.5,-11.6,;14.04,-11.6,;15.58,-14.26,;14.81,-15.6,;15.58,-16.93,;17.12,-16.93,;17.89,-15.6,;17.12,-14.26,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.19,(-5.72,-21.54,;-4.95,-22.88,;-3.41,-22.88,;-5.72,-24.21,;-6.49,-25.54,;-8.03,-25.54,;-8.8,-24.21,;-9.71,-22.96,;-11.17,-23.44,;-12.5,-22.67,;-13.84,-23.44,;-13.84,-24.98,;-15.17,-22.67,;-16.51,-23.44,;-17.84,-22.67,;-19.17,-23.44,;-17.84,-21.13,;-11.17,-24.98,;-12.5,-25.75,;-9.71,-25.45,;-9.31,-26.94,;-10.4,-28.03,;-11.94,-28.03,;-11.94,-29.57,;-10.4,-29.57,;-8.03,-22.88,;-6.49,-22.88,;-4.95,-25.54,;-5.72,-26.88,;-4.95,-28.21,;-3.41,-28.21,;-2.64,-26.88,;-3.41,-25.54,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCNC(=O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.22,(14.73,-23.85,;15.5,-25.19,;17.04,-25.19,;14.73,-26.52,;13.96,-27.85,;12.42,-27.85,;11.65,-26.52,;10.75,-25.27,;9.28,-25.75,;7.95,-24.98,;6.62,-25.75,;6.62,-27.29,;5.28,-24.98,;3.95,-25.75,;2.62,-24.98,;2.62,-23.44,;3.95,-22.67,;3.95,-21.13,;5.28,-23.44,;9.28,-27.29,;7.95,-28.06,;10.75,-27.76,;11.15,-29.25,;10.06,-30.34,;8.52,-30.34,;8.52,-31.88,;10.06,-31.88,;12.42,-25.19,;13.96,-25.19,;15.5,-27.85,;14.73,-29.19,;15.5,-30.52,;17.04,-30.52,;17.81,-29.19,;17.04,-27.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.24,(-5.01,29.63,;-4.24,28.3,;-2.7,28.3,;-5.01,26.96,;-5.78,25.63,;-7.32,25.63,;-8.09,26.96,;-8.99,28.21,;-10.46,27.73,;-11.55,28.82,;-13.03,28.42,;-13.43,26.93,;-14.12,29.51,;-15.61,29.11,;-16.7,30.2,;-18.19,29.8,;-18.58,28.32,;-20.12,28.32,;-18.58,26.78,;-17.5,27.23,;-16.01,27.62,;-10.46,26.19,;-11.79,25.42,;-8.99,25.72,;-8.59,24.23,;-9.68,23.14,;-11.22,23.14,;-11.22,21.6,;-9.68,21.6,;-7.32,28.3,;-5.78,28.3,;-4.24,25.63,;-5.01,24.29,;-4.24,22.96,;-2.7,22.96,;-1.93,24.29,;-2.7,25.63,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCOC(CO)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.23,(14.52,26.53,;15.29,25.2,;16.83,25.2,;14.52,23.86,;13.75,22.53,;12.21,22.53,;11.44,23.86,;10.54,25.11,;9.07,24.63,;7.74,25.4,;6.41,24.63,;6.41,23.09,;5.07,25.4,;3.74,24.63,;2.41,25.4,;2.41,26.94,;3.74,27.71,;3.74,29.25,;2.41,30.02,;5.07,26.94,;9.07,23.09,;7.74,22.32,;10.54,22.62,;10.94,21.13,;9.85,20.04,;8.31,20.04,;8.31,18.5,;9.85,18.5,;12.21,25.2,;13.75,25.2,;15.29,22.53,;14.52,21.2,;15.29,19.86,;16.83,19.86,;17.6,21.2,;16.83,22.53,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-6.22,10.41,;-5.45,9.07,;-3.91,9.07,;-6.22,7.74,;-6.99,6.41,;-8.53,6.41,;-9.3,7.74,;-10.21,8.99,;-11.67,8.51,;-12.76,9.6,;-14.25,9.2,;-14.65,7.71,;-15.34,10.29,;-14.94,11.78,;-16.82,9.89,;-17.91,10.98,;-19.4,10.58,;-17.51,12.47,;-11.67,6.97,;-13,6.2,;-10.21,6.49,;-9.81,5.01,;-10.9,3.92,;-12.44,3.92,;-12.44,2.38,;-10.9,2.38,;-8.53,9.07,;-6.99,9.07,;-5.45,6.41,;-6.22,5.07,;-5.45,3.74,;-3.91,3.74,;-3.14,5.07,;-3.91,6.41,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(15.26,12.14,;16.03,10.81,;17.57,10.81,;15.26,9.47,;14.49,8.14,;12.95,8.14,;12.18,9.47,;11.28,10.72,;9.81,10.24,;8.72,11.33,;7.24,10.93,;6.84,9.44,;5.9,11.7,;4.57,10.93,;3.23,11.7,;1.9,12.47,;9.81,8.7,;8.48,7.93,;11.28,8.23,;11.68,6.74,;10.59,5.65,;9.05,5.65,;9.05,4.11,;10.59,4.11,;12.95,10.81,;14.49,10.81,;16.03,8.14,;15.26,6.8,;16.03,5.47,;17.57,5.47,;18.34,6.8,;17.57,8.14,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCNC(C)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-4.33,-4.74,;-3.56,-6.08,;-2.02,-6.08,;-4.33,-7.41,;-5.1,-8.74,;-6.64,-8.74,;-7.41,-7.41,;-8.31,-6.16,;-9.78,-6.64,;-10.86,-5.55,;-12.35,-5.95,;-12.75,-7.44,;-13.69,-5.18,;-15.02,-5.95,;-16.35,-5.18,;-17.69,-5.95,;-19.02,-5.18,;-20.35,-5.95,;-19.02,-3.64,;-9.78,-8.18,;-11.11,-8.95,;-8.31,-8.65,;-7.91,-10.14,;-9,-11.23,;-10.54,-11.23,;-10.54,-12.77,;-9,-12.77,;-6.64,-6.08,;-5.1,-6.08,;-3.56,-8.74,;-4.33,-10.08,;-3.56,-11.41,;-2.02,-11.41,;-1.25,-10.08,;-2.02,-8.74,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(16.43,-4.69,;17.2,-6.02,;18.74,-6.02,;16.43,-7.36,;15.66,-8.69,;14.12,-8.69,;13.35,-7.36,;12.44,-6.11,;10.98,-6.59,;9.89,-5.5,;8.4,-5.9,;8.01,-7.38,;7.31,-4.81,;5.83,-5.21,;4.74,-4.12,;3.25,-4.52,;2.16,-3.43,;3.65,-6,;1.92,-5.29,;10.98,-8.13,;9.65,-8.9,;12.44,-8.6,;12.84,-10.09,;11.75,-11.18,;10.21,-11.18,;10.21,-12.72,;11.75,-12.72,;14.12,-6.02,;15.66,-6.02,;17.2,-8.69,;16.43,-10.02,;17.2,-11.36,;18.74,-11.36,;19.51,-10.02,;18.74,-8.69,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.34,-21.48,;-6.57,-22.81,;-5.03,-22.81,;-7.34,-24.15,;-8.11,-25.48,;-9.65,-25.48,;-10.42,-24.15,;-11.33,-22.9,;-12.79,-23.38,;-13.88,-22.29,;-15.37,-22.69,;-15.77,-24.18,;-16.46,-21.6,;-16.06,-20.11,;-17.15,-19.02,;-18.64,-19.42,;-18.64,-17.88,;-20.12,-19.82,;-19.04,-20.91,;-17.95,-22,;-12.79,-24.92,;-14.13,-25.69,;-11.33,-25.39,;-10.93,-26.88,;-12.02,-27.97,;-13.56,-27.97,;-13.56,-29.51,;-12.02,-29.51,;-9.65,-22.81,;-8.11,-22.81,;-6.57,-25.48,;-7.34,-26.82,;-6.57,-28.15,;-5.03,-28.15,;-4.26,-26.82,;-5.03,-25.48,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(17.27,-22.17,;18.04,-23.51,;19.58,-23.51,;17.27,-24.84,;16.5,-26.17,;14.96,-26.17,;14.19,-24.84,;13.29,-23.59,;11.82,-24.07,;10.74,-22.98,;9.25,-23.38,;8.85,-24.87,;8.16,-22.29,;6.67,-22.69,;5.58,-21.6,;5.98,-20.11,;4.89,-19.02,;3.4,-19.42,;3.4,-17.88,;1.92,-19.82,;3.01,-20.91,;4.1,-22,;11.82,-25.61,;10.49,-26.38,;13.29,-26.08,;13.69,-27.57,;12.6,-28.66,;11.06,-28.66,;11.06,-30.2,;12.6,-30.2,;14.96,-23.51,;16.5,-23.51,;18.04,-26.17,;17.27,-27.51,;18.04,-28.84,;19.58,-28.84,;20.35,-27.51,;19.58,-26.17,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCN(CC3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-6.65,15.18,;-5.88,13.85,;-4.34,13.85,;-6.65,12.52,;-7.42,11.18,;-8.96,11.18,;-9.73,12.52,;-10.64,13.76,;-12.1,13.29,;-13.19,14.38,;-14.68,13.98,;-15.08,12.49,;-15.77,15.07,;-15.37,16.55,;-16.46,17.64,;-17.95,17.24,;-18.34,15.76,;-17.26,14.67,;-19.03,18.33,;-18.64,19.82,;-20.57,18.33,;-19.43,16.84,;-12.1,11.75,;-13.44,10.98,;-10.64,11.27,;-10.24,9.78,;-11.33,8.69,;-12.87,8.69,;-12.87,7.15,;-11.33,7.15,;-8.96,13.85,;-7.42,13.85,;-5.88,11.18,;-6.65,9.85,;-5.88,8.51,;-4.34,8.51,;-3.57,9.85,;-4.34,11.18,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCC#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(16.12,19.2,;16.89,17.87,;18.43,17.87,;16.12,16.54,;15.35,15.2,;13.81,15.2,;13.04,16.54,;12.13,17.78,;10.67,17.31,;9.58,18.4,;8.09,18,;7.69,16.51,;7,19.09,;5.51,18.69,;4.43,19.78,;2.94,19.38,;1.45,18.98,;10.67,15.77,;9.33,15,;12.13,15.29,;12.53,13.8,;11.44,12.71,;9.9,12.71,;9.9,11.17,;11.44,11.17,;13.81,17.87,;15.35,17.87,;16.89,15.2,;16.12,13.87,;16.89,12.54,;18.43,12.54,;19.2,13.87,;18.43,15.2,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(C)(C)O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-6.73,2.58,;-5.96,1.24,;-4.42,1.24,;-6.73,-.09,;-7.5,-1.42,;-9.04,-1.42,;-9.81,-.09,;-10.71,1.16,;-12.18,.68,;-13.26,1.77,;-14.75,1.37,;-15.15,-.12,;-16.09,2.14,;-17.42,1.37,;-18.75,2.14,;-19.52,3.47,;-17.98,3.47,;-20.09,1.37,;-12.18,-.86,;-13.51,-1.63,;-10.71,-1.34,;-10.31,-2.82,;-11.4,-3.91,;-12.94,-3.91,;-12.94,-5.45,;-11.4,-5.45,;-9.04,1.24,;-7.5,1.24,;-5.96,-1.42,;-6.73,-2.76,;-5.96,-4.09,;-4.42,-4.09,;-3.65,-2.76,;-4.42,-1.42,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(=O)N3CCOCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(17.49,2.15,;18.26,.82,;19.8,.82,;17.49,-.51,;16.72,-1.85,;15.18,-1.85,;14.41,-.51,;13.51,.73,;12.05,.26,;10.96,1.35,;9.47,.95,;9.07,-.54,;8.13,1.72,;6.8,.95,;5.47,1.72,;5.47,3.26,;4.13,.95,;2.8,1.72,;1.47,.95,;1.47,-.59,;2.8,-1.36,;4.13,-.59,;12.05,-1.28,;10.71,-2.05,;13.51,-1.76,;13.91,-3.25,;12.82,-4.33,;11.28,-4.33,;11.28,-5.87,;12.82,-5.87,;15.18,.82,;16.72,.82,;18.26,-1.85,;17.49,-3.18,;18.26,-4.51,;19.8,-4.51,;20.57,-3.18,;19.8,-1.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCOCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-3.24,-11.68,;-2.47,-13.02,;-.93,-13.02,;-3.24,-14.35,;-4.01,-15.68,;-5.55,-15.68,;-6.32,-14.35,;-7.23,-13.1,;-8.69,-13.58,;-9.78,-12.49,;-11.27,-12.89,;-11.67,-14.38,;-12.36,-11.8,;-13.85,-12.2,;-14.93,-11.11,;-16.42,-11.51,;-17.51,-10.42,;-19,-10.82,;-20.09,-9.73,;-8.69,-15.12,;-10.03,-15.89,;-7.23,-15.6,;-6.83,-17.08,;-7.92,-18.17,;-9.46,-18.17,;-9.46,-19.71,;-7.92,-19.71,;-5.55,-13.02,;-4.01,-13.02,;-2.47,-15.68,;-3.24,-17.02,;-2.47,-18.35,;-.93,-18.35,;-.16,-17.02,;-.93,-15.68,)|
CNC(=O)CN(C)C(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:12.28,15.18,(1.24,-10.53,;2.33,-11.62,;3.82,-11.22,;4.22,-9.73,;4.91,-12.31,;6.39,-11.91,;6.79,-10.42,;7.48,-13,;7.08,-14.48,;8.97,-12.6,;10.06,-13.69,;11.52,-13.21,;12.43,-14.46,;13.2,-15.79,;14.74,-15.79,;15.51,-14.46,;14.74,-13.12,;13.2,-13.12,;16.28,-13.12,;15.51,-11.79,;17.82,-13.12,;16.28,-15.79,;15.51,-17.12,;16.28,-18.46,;17.82,-18.46,;18.59,-17.12,;17.82,-15.79,;11.52,-15.7,;11.92,-17.19,;10.83,-18.28,;9.29,-18.28,;9.29,-19.82,;10.83,-19.82,;10.06,-15.23,;8.73,-16,)|
CNC(=O)CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:11.27,14.17,(1.24,-10.53,;2.33,-11.62,;3.82,-11.22,;4.22,-9.73,;4.91,-12.31,;6.39,-11.91,;7.48,-13,;7.08,-14.48,;8.97,-12.6,;10.06,-13.69,;11.52,-13.21,;12.43,-14.46,;13.2,-15.79,;14.74,-15.79,;15.51,-14.46,;14.74,-13.12,;13.2,-13.12,;16.28,-13.12,;15.51,-11.79,;17.82,-13.12,;16.28,-15.79,;15.51,-17.12,;16.28,-18.46,;17.82,-18.46,;18.59,-17.12,;17.82,-15.79,;11.52,-15.7,;11.92,-17.19,;10.83,-18.28,;9.29,-18.28,;9.29,-19.82,;10.83,-19.82,;10.06,-15.23,;8.73,-16,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCNS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.93,30.07,;-4.16,28.73,;-2.62,28.73,;-4.93,27.4,;-5.7,26.06,;-7.24,26.06,;-8.01,27.4,;-8.92,28.64,;-10.38,28.17,;-11.72,28.94,;-13.05,28.17,;-13.45,26.68,;-14.38,28.94,;-15.72,28.17,;-17.05,28.94,;-18.38,28.17,;-19.72,28.94,;-21.05,28.17,;-20.81,30.03,;-18.63,30.03,;-10.38,26.63,;-11.72,25.86,;-8.92,26.15,;-8.52,24.66,;-9.61,23.58,;-11.15,23.58,;-11.15,22.04,;-9.61,22.04,;-7.24,28.73,;-5.7,28.73,;-4.16,26.06,;-4.93,24.73,;-4.16,23.4,;-2.62,23.4,;-1.85,24.73,;-2.62,26.06,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3(O)CCCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.47,28.81,;16.24,27.48,;17.78,27.48,;15.47,26.15,;14.7,24.81,;13.16,24.81,;12.39,26.15,;11.49,27.39,;10.02,26.92,;8.93,28.01,;7.45,27.61,;7.05,26.12,;6.11,28.38,;4.78,27.61,;3.44,28.38,;3.44,26.84,;3.28,29.91,;1.78,30.23,;1.01,28.89,;2.04,27.75,;10.02,25.38,;8.69,24.61,;11.49,24.9,;11.89,23.41,;10.8,22.32,;9.26,22.32,;9.26,20.78,;10.8,20.78,;13.16,27.48,;14.7,27.48,;16.24,24.81,;15.47,23.48,;16.24,22.15,;17.78,22.15,;18.55,23.48,;17.78,24.81,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC3CCC(O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(-4.31,15.78,;-3.54,14.45,;-2,14.45,;-4.31,13.12,;-5.08,11.78,;-6.62,11.78,;-7.39,13.12,;-8.29,14.36,;-9.76,13.89,;-10.84,14.98,;-12.33,14.58,;-12.73,13.09,;-13.67,15.35,;-15,14.58,;-16.33,15.35,;-16.33,16.89,;-17.67,17.66,;-19,16.89,;-20.33,17.66,;-19,15.35,;-17.67,14.58,;-9.76,12.35,;-11.09,11.58,;-8.29,11.87,;-7.89,10.38,;-8.98,9.3,;-10.52,9.3,;-10.52,7.76,;-8.98,7.76,;-6.62,14.45,;-5.08,14.45,;-3.54,11.78,;-4.31,10.45,;-3.54,9.12,;-2,9.12,;-1.23,10.45,;-2,11.78,)|
COCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:13.29,16.19,(1.05,18.44,;2.54,18.84,;3.63,17.75,;5.11,18.14,;6.2,17.06,;7.69,17.45,;8.78,16.37,;10.27,16.76,;11.36,15.68,;10.96,14.19,;12.84,16.07,;13.93,14.98,;15.4,15.46,;16.3,14.21,;17.07,12.88,;18.61,12.88,;19.38,14.21,;18.61,15.55,;17.07,15.55,;20.15,15.55,;19.38,16.88,;21.69,15.55,;20.15,12.88,;19.38,11.55,;20.15,10.21,;21.69,10.21,;22.46,11.55,;21.69,12.88,;15.4,12.97,;15.79,11.48,;14.71,10.39,;13.17,10.39,;13.17,8.85,;14.71,8.85,;13.93,13.44,;12.6,12.67,)|
CN(C)CCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:11.27,14.17,(-21.05,4.59,;-19.96,3.5,;-20.36,2.02,;-18.47,3.9,;-17.38,2.81,;-15.89,3.21,;-14.8,2.12,;-15.2,.64,;-13.32,2.52,;-12.23,1.43,;-10.76,1.91,;-9.86,.66,;-9.09,-.67,;-7.55,-.67,;-6.78,.66,;-7.55,2,;-9.09,2,;-6.01,2,;-6.78,3.33,;-4.47,2,;-6.01,-.67,;-6.78,-2.01,;-6.01,-3.34,;-4.47,-3.34,;-3.7,-2.01,;-4.47,-.67,;-10.76,-.58,;-10.37,-2.07,;-11.45,-3.16,;-12.99,-3.16,;-12.99,-4.7,;-11.45,-4.7,;-12.23,-.11,;-13.56,-.88,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)CC(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:7.26,10.13,(.98,2.75,;2.47,3.15,;3.56,2.06,;3.16,.57,;5.05,2.46,;6.14,1.37,;7.6,1.84,;8.51,.6,;9.28,-.74,;10.82,-.74,;11.59,.6,;10.82,1.93,;9.28,1.93,;12.36,1.93,;11.59,3.26,;13.9,1.93,;14.67,3.26,;13.9,4.6,;16.21,3.26,;12.36,-.74,;11.59,-2.07,;12.36,-3.4,;13.9,-3.4,;14.67,-2.07,;13.9,-.74,;7.6,-.65,;8,-2.14,;6.91,-3.23,;5.37,-3.23,;5.37,-4.77,;6.91,-4.77,;6.14,-.17,;4.8,-.94,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:7.23,10.13,(-21.06,-8.19,;-19.57,-7.8,;-18.48,-8.88,;-18.88,-10.37,;-16.99,-8.49,;-15.9,-9.58,;-14.44,-9.1,;-13.53,-10.35,;-12.76,-11.68,;-11.22,-11.68,;-10.45,-10.35,;-11.22,-9.01,;-12.76,-9.01,;-9.68,-9.01,;-10.45,-7.68,;-8.14,-9.01,;-9.68,-11.68,;-10.45,-13.01,;-9.68,-14.35,;-8.14,-14.35,;-7.37,-13.01,;-8.14,-11.68,;-14.44,-11.59,;-14.04,-13.08,;-15.13,-14.17,;-16.67,-14.17,;-16.67,-15.71,;-15.13,-15.71,;-15.9,-11.12,;-17.24,-11.89,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(13.2,-7.07,;14.29,-8.16,;15.78,-7.76,;13.89,-9.65,;13.89,-11.19,;12.56,-11.96,;11.22,-11.19,;9.93,-10.35,;8.73,-11.32,;7.25,-10.92,;6.16,-12.01,;6.56,-13.5,;4.67,-11.61,;3.58,-12.7,;3.98,-14.19,;2.89,-15.28,;1.4,-14.88,;1,-13.39,;2.09,-12.3,;9.29,-12.76,;8.52,-14.09,;10.82,-12.68,;11.91,-13.77,;11.51,-15.25,;10.18,-16.02,;10.95,-17.36,;12.28,-16.59,;11.22,-9.65,;12.56,-8.88,;15.38,-10.05,;15.78,-11.53,;17.26,-11.93,;18.35,-10.84,;17.95,-9.36,;16.47,-8.96,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccc(C)n3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-8.84,-19.94,;-7.75,-21.03,;-6.27,-20.63,;-8.15,-22.52,;-8.15,-24.06,;-9.49,-24.83,;-10.82,-24.06,;-12.11,-23.22,;-13.31,-24.19,;-14.8,-23.79,;-15.88,-24.88,;-15.49,-26.37,;-17.37,-24.48,;-18.46,-25.57,;-19.95,-25.17,;-21.04,-26.26,;-20.64,-27.75,;-19.15,-28.15,;-18.75,-29.64,;-18.06,-27.06,;-12.76,-25.63,;-13.53,-26.96,;-11.22,-25.55,;-10.13,-26.64,;-10.53,-28.12,;-11.86,-28.89,;-11.09,-30.23,;-9.76,-29.46,;-10.82,-22.52,;-9.49,-21.75,;-6.66,-22.92,;-6.27,-24.41,;-4.78,-24.81,;-3.69,-23.72,;-4.09,-22.23,;-5.58,-21.83,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cccnn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(13.2,-19.94,;14.29,-21.03,;15.78,-20.63,;13.89,-22.52,;13.89,-24.06,;12.56,-24.83,;11.22,-24.06,;9.93,-23.22,;8.73,-24.19,;7.25,-23.79,;6.16,-24.88,;6.56,-26.37,;4.67,-24.48,;3.58,-25.57,;2.09,-25.17,;1,-26.26,;1.4,-27.75,;2.89,-28.15,;3.98,-27.06,;9.29,-25.63,;8.52,-26.96,;10.82,-25.55,;11.91,-26.64,;11.51,-28.12,;10.18,-28.89,;10.95,-30.23,;12.28,-29.46,;11.22,-22.52,;12.56,-21.75,;15.38,-22.92,;15.78,-24.41,;17.26,-24.81,;18.35,-23.72,;17.95,-22.23,;16.47,-21.83,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3cncnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.1,21.01,;-5.59,21.41,;-5.99,22.9,;-6.68,20.32,;-7.45,18.99,;-8.99,18.99,;-9.76,20.32,;-10.67,21.57,;-12.13,21.09,;-13.22,22.18,;-14.71,21.78,;-15.11,20.3,;-15.8,22.87,;-17.28,22.47,;-17.68,20.99,;-19.17,20.59,;-20.26,21.68,;-19.86,23.16,;-18.37,23.56,;-12.13,19.55,;-13.46,18.78,;-10.67,19.08,;-9.9,17.74,;-10.67,16.41,;-12.15,16.01,;-11.76,14.52,;-10.27,14.92,;-8.99,21.66,;-7.45,21.66,;-5.59,19.23,;-5.99,17.75,;-4.9,16.66,;-3.41,17.06,;-3.02,18.54,;-4.1,19.63,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccnnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(14.18,23.6,;15.27,22.51,;16.75,22.91,;14.87,21.02,;14.87,19.48,;13.53,18.71,;12.2,19.48,;10.91,20.32,;9.71,19.35,;8.22,19.75,;7.13,18.66,;7.53,17.17,;5.65,19.06,;4.56,17.97,;4.96,16.48,;3.87,15.39,;2.38,15.79,;1.98,17.28,;3.07,18.37,;10.26,17.91,;9.49,16.58,;11.8,17.99,;12.89,16.9,;12.49,15.42,;11.16,14.65,;11.93,13.31,;13.26,14.08,;12.2,21.02,;13.53,21.79,;16.35,20.62,;16.75,19.13,;18.24,18.73,;19.33,19.82,;18.93,21.31,;17.44,21.71,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccnc(C)c3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(19.18,8.6,;17.69,8.99,;17.29,10.48,;16.6,7.9,;15.98,6.5,;14.45,6.34,;13.54,7.58,;12.51,8.73,;11.1,8.1,;9.77,8.87,;8.44,8.1,;8.44,6.56,;7.1,8.87,;5.77,8.1,;5.77,6.56,;4.43,5.79,;3.1,6.56,;3.1,8.1,;1.77,8.87,;4.43,8.87,;11.26,6.57,;10.18,5.48,;12.77,6.25,;13.54,4.92,;12.77,3.58,;11.28,3.18,;11.68,1.7,;13.17,2.09,;14.17,8.99,;15.7,9.15,;17.69,6.82,;17.29,5.33,;18.38,4.24,;19.87,4.64,;20.27,6.13,;19.18,7.21,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccncc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.17,-4.13,;-5.71,-4.13,;-6.48,-2.8,;-6.48,-5.46,;-7.25,-6.8,;-8.79,-6.8,;-9.56,-5.46,;-10.47,-4.22,;-11.93,-4.69,;-13.02,-3.61,;-14.51,-4,;-14.91,-5.49,;-15.6,-2.92,;-17.08,-3.31,;-18.17,-2.22,;-19.66,-2.62,;-20.06,-4.11,;-18.97,-5.2,;-17.48,-4.8,;-11.93,-6.23,;-13.27,-7,;-10.47,-6.71,;-9.7,-8.04,;-10.47,-9.38,;-9.13,-10.15,;-11.95,-9.78,;-11.56,-11.26,;-10.07,-10.87,;-8.79,-4.13,;-7.25,-4.13,;-5.71,-6.8,;-6.48,-8.13,;-5.71,-9.47,;-4.17,-9.47,;-3.4,-8.13,;-4.17,-6.8,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NC3COC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(17.01,-4.13,;15.47,-4.13,;14.7,-2.8,;14.7,-5.46,;13.93,-6.8,;12.39,-6.8,;11.62,-5.46,;10.72,-4.22,;9.25,-4.69,;8.17,-3.61,;6.68,-4,;6.28,-5.49,;5.59,-2.92,;4.1,-3.31,;2.77,-2.54,;2,-3.88,;3.33,-4.65,;9.25,-6.23,;7.92,-7,;10.72,-6.71,;11.49,-8.04,;10.72,-9.38,;12.05,-10.15,;9.23,-9.78,;9.63,-11.26,;11.12,-10.87,;12.39,-4.13,;13.93,-4.13,;15.47,-6.8,;14.7,-8.13,;15.47,-9.47,;17.01,-9.47,;17.78,-8.13,;17.01,-6.8,)|
COCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:10.26,13.16,(-20.27,-13.87,;-19.18,-14.96,;-17.69,-14.56,;-16.6,-15.65,;-15.12,-15.25,;-14.03,-16.34,;-14.43,-17.82,;-12.54,-15.94,;-11.45,-17.03,;-9.99,-16.55,;-9.08,-17.8,;-8.31,-19.13,;-6.77,-19.13,;-6,-17.8,;-6.77,-16.46,;-8.31,-16.46,;-5.23,-16.46,;-3.69,-16.46,;-6,-15.13,;-5.23,-19.13,;-6,-20.46,;-5.23,-21.8,;-3.69,-21.8,;-2.92,-20.46,;-3.69,-19.13,;-9.99,-19.04,;-9.22,-20.38,;-9.99,-21.71,;-8.65,-22.48,;-11.47,-22.11,;-11.07,-23.6,;-9.59,-23.2,;-11.45,-18.57,;-12.78,-19.34,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NC3COC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.19,2.1,(14.7,-14.47,;15.47,-15.81,;14.7,-17.14,;13.93,-18.47,;12.39,-18.47,;11.62,-17.14,;10.72,-15.89,;9.25,-16.37,;8.17,-15.28,;6.68,-15.68,;6.28,-17.17,;5.59,-14.59,;4.1,-14.99,;2.77,-14.22,;2,-15.55,;3.33,-16.32,;9.25,-17.91,;7.92,-18.68,;10.72,-18.38,;11.49,-19.72,;10.72,-21.05,;12.05,-21.82,;9.23,-21.45,;9.63,-22.94,;11.12,-22.54,;12.39,-15.81,;13.93,-15.81,;15.47,-18.47,;14.7,-19.81,;15.47,-21.14,;17.01,-21.14,;17.78,-19.81,;17.01,-18.47,)|
CN[C@]1(CC[C@]2(CN(CC(=O)NCCOC)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.18,2.1,(-5.48,29.98,;-4.71,28.65,;-5.48,27.32,;-6.25,25.98,;-7.79,25.98,;-8.56,27.32,;-9.47,28.56,;-10.93,28.09,;-12.02,29.17,;-13.51,28.78,;-13.91,27.29,;-14.6,29.86,;-16.09,29.47,;-17.17,30.56,;-18.66,30.16,;-19.75,31.25,;-10.93,26.55,;-12.27,25.78,;-9.47,26.07,;-8.7,24.74,;-9.47,23.4,;-8.13,22.63,;-10.96,23,;-10.56,21.52,;-9.07,21.91,;-7.79,28.65,;-6.25,28.65,;-4.71,25.98,;-5.48,24.65,;-4.71,23.31,;-3.17,23.31,;-2.4,24.65,;-3.17,25.98,)|
COCCCN1C(=O)N(CC(=O)Nc2cc(OC)ccn2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.23,25.30,(10.78,20.79,;10.38,22.28,;11.47,23.37,;11.07,24.86,;12.16,25.95,;11.76,27.43,;10.3,27.91,;8.97,27.14,;10.3,29.45,;8.97,30.22,;7.63,29.45,;7.63,27.91,;6.3,30.22,;4.96,29.45,;4.96,27.91,;3.63,27.14,;3.63,25.6,;4.96,24.83,;2.3,27.91,;2.3,29.45,;3.63,30.22,;11.76,29.93,;12.67,28.68,;13.44,27.35,;14.98,27.35,;15.75,28.68,;14.98,30.01,;13.44,30.01,;16.84,29.77,;16.44,31.26,;18.33,29.37,;17.08,27.91,;17.08,26.37,;18.42,25.6,;19.75,26.37,;19.75,27.91,;18.42,28.68,)|
COCCCN1C(=O)N(CC(=O)NCc2ccncn2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:21.22,24.29,(-9.72,5.85,;-10.12,7.34,;-9.03,8.42,;-9.43,9.91,;-8.34,11,;-8.74,12.49,;-10.21,12.96,;-11.54,12.19,;-10.21,14.5,;-11.54,15.27,;-12.87,14.5,;-12.87,12.96,;-14.21,15.27,;-15.54,14.5,;-16.87,15.27,;-18.21,14.5,;-19.54,15.27,;-19.54,16.81,;-18.21,17.58,;-16.87,16.81,;-8.74,14.98,;-7.84,13.73,;-7.07,12.4,;-5.53,12.4,;-4.76,13.73,;-5.53,15.07,;-7.07,15.07,;-3.67,14.82,;-4.07,16.31,;-2.18,14.42,;-3.42,12.96,;-3.42,11.42,;-2.09,10.65,;-.75,11.42,;-.75,12.96,;-2.09,13.73,)|
CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.20,22.27,(12.13,5.92,;11.36,7.26,;12.13,8.59,;11.36,9.92,;9.9,10.4,;8.57,9.63,;9.9,11.94,;8.81,13.03,;7.32,12.63,;6.92,11.14,;6.23,13.72,;6.63,15.21,;5.54,16.29,;4.06,15.9,;2.52,15.9,;3.66,17.38,;3.66,14.41,;4.75,13.32,;11.36,12.41,;12.27,11.17,;13.04,9.84,;14.58,9.84,;15.35,11.17,;14.58,12.5,;13.04,12.5,;16.12,12.5,;15.35,13.84,;17.66,12.5,;16.12,9.84,;15.35,8.5,;16.12,7.17,;17.66,7.17,;18.43,8.5,;17.66,9.84,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccccn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-6.16,3.01,;-5.39,1.67,;-3.85,1.67,;-6.16,.34,;-6.93,-.99,;-8.47,-.99,;-9.24,.34,;-10.15,1.59,;-11.61,1.11,;-12.7,2.2,;-14.19,1.8,;-14.59,.31,;-15.28,2.89,;-16.77,2.49,;-17.85,3.58,;-19.34,3.18,;-19.74,1.69,;-18.65,.61,;-17.16,1,;-11.61,-.43,;-12.95,-1.2,;-10.15,-.91,;-9.75,-2.39,;-10.84,-3.48,;-9.5,-4.25,;-12.38,-3.48,;-12.38,-5.02,;-10.84,-5.02,;-8.47,1.67,;-6.93,1.67,;-5.39,-.99,;-6.16,-2.33,;-5.39,-3.66,;-3.85,-3.66,;-3.08,-2.33,;-3.85,-.99,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2(CCC2)C#N)CC1)c1ccccc1 |r,wU:6.15,3.2,(12.36,3.53,;13.13,2.2,;14.67,2.2,;12.36,.86,;11.59,-.47,;10.05,-.47,;9.28,.86,;8.37,2.11,;6.91,1.63,;5.82,2.72,;4.33,2.32,;3.24,3.41,;3.93,.83,;6.91,.09,;5.57,-.68,;8.37,-.38,;8.77,-1.87,;7.68,-2.96,;6.14,-2.96,;6.14,-4.5,;7.68,-4.5,;9.01,-3.73,;10.35,-4.5,;10.05,2.2,;11.59,2.2,;13.13,-.47,;12.36,-1.81,;13.13,-3.14,;14.67,-3.14,;15.44,-1.81,;14.67,-.47,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCC(N)=O)C(=O)N2CC2(CCC2)C#N)CC1)c1ccccc1 |r,wU:6.19,3.2,(-5.35,-8.65,;-4.58,-9.98,;-3.04,-9.98,;-5.35,-11.32,;-6.12,-12.65,;-7.66,-12.65,;-8.43,-11.32,;-9.33,-10.07,;-10.8,-10.55,;-12.13,-9.78,;-13.47,-10.55,;-13.47,-12.09,;-14.8,-9.78,;-16.13,-10.55,;-17.47,-9.78,;-18.8,-10.55,;-17.47,-8.24,;-10.8,-12.09,;-12.13,-12.86,;-9.33,-12.56,;-8.94,-14.05,;-10.02,-15.14,;-11.51,-15.54,;-11.11,-17.03,;-9.63,-16.63,;-8.69,-15.91,;-7.36,-16.68,;-7.66,-9.98,;-6.12,-9.98,;-4.58,-12.65,;-5.35,-13.98,;-4.58,-15.32,;-3.04,-15.32,;-2.27,-13.98,;-3.04,-12.65,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2(O)CCC2)C1=O |r,wU:7.23,10.13,(2.28,-9.15,;3.77,-8.75,;4.86,-9.84,;4.46,-11.33,;6.34,-9.44,;7.43,-10.53,;8.9,-10.05,;9.8,-11.3,;10.57,-12.63,;12.11,-12.63,;12.88,-11.3,;12.11,-9.96,;10.57,-9.96,;13.65,-9.96,;12.88,-8.63,;15.19,-9.96,;13.65,-12.63,;12.88,-13.97,;13.65,-15.3,;15.19,-15.3,;15.96,-13.97,;15.19,-12.63,;8.9,-12.54,;9.3,-14.03,;8.21,-15.12,;9.54,-15.89,;6.72,-15.52,;7.12,-17.01,;8.61,-16.61,;7.43,-12.07,;6.1,-12.84,)|
CCCN1C(=O)N(CC(=O)N2CCS(=O)(=O)CC2)C[C@]11CC[C@@](CC1)(NC)c1ccccc1 |r,wU:19.20,22.27,(-10.97,-31.26,;-11.37,-29.77,;-10.28,-28.68,;-10.68,-27.19,;-12.14,-26.72,;-13.48,-27.49,;-12.14,-25.18,;-13.23,-24.09,;-14.72,-24.49,;-15.12,-25.97,;-15.81,-23.4,;-15.41,-21.91,;-16.5,-20.82,;-17.99,-21.22,;-18.38,-19.73,;-19.53,-21.22,;-18.38,-22.71,;-17.3,-23.8,;-10.68,-24.7,;-9.77,-25.95,;-9,-27.28,;-7.46,-27.28,;-6.69,-25.95,;-7.46,-24.61,;-9,-24.61,;-5.92,-24.61,;-6.69,-23.28,;-5.92,-27.28,;-6.69,-28.61,;-5.92,-29.95,;-4.38,-29.95,;-3.61,-28.61,;-4.38,-27.28,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(14.5,-19.52,;15.58,-20.61,;17.07,-20.21,;15.19,-22.1,;15.19,-23.64,;13.85,-24.41,;12.52,-23.64,;11.23,-22.8,;10.03,-23.77,;8.54,-23.37,;7.45,-24.46,;7.85,-25.94,;5.97,-24.06,;4.88,-25.15,;5.28,-26.64,;4.19,-27.72,;2.7,-27.33,;2.3,-25.84,;3.39,-24.75,;10.58,-25.2,;9.81,-26.54,;12.12,-25.12,;13.21,-26.21,;12.81,-27.7,;11.48,-28.47,;12.25,-29.8,;13.58,-29.03,;12.52,-22.1,;13.85,-21.33,;16.67,-22.5,;17.07,-23.98,;18.56,-24.38,;19.65,-23.29,;19.25,-21.8,;17.76,-21.41,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCOCC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-6.26,27.4,;-6.26,25.86,;-4.93,25.09,;-7.59,25.09,;-8.36,23.75,;-9.9,23.75,;-10.67,25.09,;-11.58,26.33,;-13.04,25.86,;-14.13,26.94,;-15.62,26.55,;-16.02,25.06,;-16.71,27.63,;-16.31,29.12,;-17.4,30.21,;-18.89,29.81,;-19.29,28.33,;-18.2,27.24,;-13.04,24.32,;-14.38,23.55,;-11.58,23.84,;-11.18,22.35,;-12.27,21.26,;-10.78,20.86,;-13.81,21.26,;-13.81,19.72,;-12.27,19.72,;-9.9,26.42,;-8.36,26.42,;-6.82,23.75,;-7.59,22.42,;-6.82,21.08,;-5.28,21.08,;-4.51,22.42,;-5.28,23.75,)|
CN[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.14,2.1,(13.5,30.05,;13.9,28.56,;12.81,27.47,;12.04,26.14,;10.5,26.14,;9.73,27.47,;8.83,28.72,;7.36,28.24,;6.27,29.33,;4.79,28.93,;3.7,30.02,;4.39,27.44,;7.36,26.7,;6.03,25.93,;8.83,26.22,;9.22,24.74,;8.14,23.65,;9.62,23.25,;6.6,23.65,;6.6,22.11,;8.14,22.11,;10.5,28.8,;12.04,28.8,;13.58,26.14,;12.81,24.8,;13.58,23.47,;15.12,23.47,;15.89,24.8,;15.12,26.14,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCOCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-7.59,15.12,;-6.82,13.79,;-5.28,13.79,;-7.59,12.45,;-8.36,11.12,;-9.9,11.12,;-10.67,12.45,;-11.58,13.7,;-13.04,13.22,;-14.13,14.31,;-15.62,13.91,;-16.02,12.43,;-16.71,15,;-16.31,16.49,;-17.4,17.58,;-18.89,17.18,;-19.29,15.69,;-18.2,14.6,;-13.04,11.68,;-14.38,10.91,;-11.58,11.21,;-11.18,9.72,;-12.27,8.63,;-13.81,8.63,;-13.81,7.09,;-12.27,7.09,;-9.9,13.79,;-8.36,13.79,;-6.82,11.12,;-7.59,9.79,;-6.82,8.45,;-5.28,8.45,;-4.51,9.79,;-5.28,11.12,)|
CSc1ccnc(NC(=O)CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:13.29,16.19,(5.42,11.08,;4.09,11.85,;4.09,13.39,;2.75,14.16,;2.75,15.7,;4.09,16.47,;5.42,15.7,;6.75,16.47,;8.09,15.7,;8.09,14.16,;9.42,16.47,;10.76,15.7,;12.22,16.17,;13.13,14.93,;13.9,13.59,;15.44,13.59,;16.21,14.93,;15.44,16.26,;13.9,16.26,;16.98,16.26,;16.21,17.59,;18.52,16.26,;16.98,13.59,;16.21,12.26,;16.98,10.93,;18.52,10.93,;19.29,12.26,;18.52,13.59,;12.22,13.68,;12.62,12.19,;11.53,11.1,;9.99,11.1,;9.99,9.56,;11.53,9.56,;10.76,14.16,;9.42,13.39,;5.42,14.16,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:6.15,3.2,(-9.23,-7.41,;-8.46,-8.74,;-6.92,-8.74,;-9.23,-10.08,;-10,-11.41,;-11.54,-11.41,;-12.31,-10.08,;-13.22,-8.83,;-14.68,-9.31,;-15.77,-8.22,;-17.26,-8.62,;-18.35,-7.53,;-17.65,-10.11,;-14.68,-10.85,;-16.01,-11.62,;-13.22,-11.32,;-11.54,-8.74,;-10,-8.74,;-8.46,-11.41,;-9.23,-12.75,;-8.46,-14.08,;-6.92,-14.08,;-6.15,-12.75,;-6.92,-11.41,)|
CNC(=O)CN1C[C@]2(CC[C@@](CC2)(NC)c2ccccc2)N(CC2CCC2)C1=O |r,wU:7.22,10.13,(2.74,-21.06,;4.22,-20.66,;5.31,-21.75,;4.91,-23.24,;6.8,-21.35,;7.89,-22.44,;9.35,-21.96,;10.26,-23.21,;11.03,-24.54,;12.57,-24.54,;13.34,-23.21,;12.57,-21.88,;11.03,-21.88,;14.11,-21.88,;15.65,-21.88,;14.11,-24.54,;13.34,-25.88,;14.11,-27.21,;15.65,-27.21,;16.42,-25.88,;15.65,-24.54,;9.35,-24.46,;9.75,-25.94,;8.66,-27.03,;7.12,-27.03,;7.12,-28.57,;8.66,-28.57,;7.89,-23.98,;6.55,-24.75,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-5.55,15.75,;-5.15,14.26,;-3.66,13.86,;-6.24,13.17,;-7.01,11.84,;-8.55,11.84,;-9.32,13.17,;-10.22,14.42,;-11.69,13.94,;-13.02,14.71,;-14.35,13.94,;-13.96,12.46,;-15.84,14.34,;-15.84,15.88,;-16.93,13.25,;-18.42,13.65,;-19.51,12.56,;-11.69,12.4,;-13.02,11.63,;-10.22,11.93,;-8.55,14.51,;-7.01,14.51,;-5.15,12.08,;-5.55,10.6,;-4.46,9.51,;-2.97,9.91,;-2.57,11.39,;-3.66,12.48,)|
CN(C)[C@@]1(CC[C@@]2(CC1)N(CC1(O)CCC1)C(=O)N(CC(=O)N1CCS(=O)(=O)CC1)C2=O)c1ccccc1 |r,wU:3.2,6.9,(15.57,14.01,;16.34,12.67,;17.88,12.67,;15.57,11.34,;14.8,12.67,;13.26,12.67,;12.49,11.34,;13.26,10,;14.8,10,;11.72,10,;12.49,8.67,;11.72,7.34,;13.05,6.57,;10.38,8.11,;9.61,6.77,;10.95,6,;10.21,10.32,;9.12,9.24,;10.05,11.86,;8.72,12.63,;7.38,11.86,;7.38,10.32,;6.05,12.63,;4.71,11.86,;3.38,12.63,;3.38,14.17,;2.05,13.4,;2.98,15.65,;4.71,14.94,;6.05,14.17,;11.46,12.48,;11.85,13.97,;16.34,10,;15.57,8.67,;16.34,7.34,;17.88,7.34,;18.65,8.67,;17.88,10,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)Nc3ccccc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-4.45,1.21,;-5.99,1.21,;-6.76,2.54,;-6.76,-.12,;-7.53,-1.46,;-9.07,-1.46,;-9.84,-.12,;-10.75,1.12,;-12.21,.65,;-13.54,1.42,;-14.88,.65,;-14.88,-.89,;-16.21,1.42,;-17.55,.65,;-18.88,1.42,;-20.21,.65,;-20.21,-.89,;-18.88,-1.66,;-17.55,-.89,;-12.21,-.89,;-13.54,-1.66,;-10.75,-1.37,;-9.07,1.21,;-7.53,1.21,;-5.99,-1.46,;-6.76,-2.79,;-5.99,-4.12,;-4.45,-4.12,;-3.68,-2.79,;-4.45,-1.46,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(18.8,-.06,;17.31,.34,;16.91,1.82,;16.22,-.75,;15.45,-2.09,;13.91,-2.09,;13.14,-.75,;12.24,.49,;10.77,.02,;9.44,.79,;8.11,.02,;8.11,-1.52,;6.77,.79,;6.77,2.33,;5.44,.02,;4.11,.79,;2.77,.02,;4.11,2.33,;10.77,-1.52,;9.44,-2.29,;12.24,-2,;12.64,-3.49,;11.55,-4.58,;10.06,-4.97,;11.15,-6.06,;13.91,.58,;15.45,.58,;17.56,-1.52,;17.56,-3.06,;18.89,-3.83,;20.22,-3.06,;20.22,-1.52,;18.89,-.75,)|
CN(C)[C@@]1(CC[C@@]2(CC1)NC(=O)N(CC(=O)Nc1ccccc1)C2=O)c1ccccc1 |r,wU:6.9,3.2,(-4.45,-8.99,;-5.99,-8.99,;-6.76,-7.65,;-6.76,-10.32,;-7.53,-8.99,;-9.07,-8.99,;-9.84,-10.32,;-9.07,-11.65,;-7.53,-11.65,;-10.75,-11.57,;-12.21,-11.09,;-13.54,-11.86,;-12.21,-9.55,;-13.54,-8.78,;-14.88,-9.55,;-14.88,-11.09,;-16.21,-8.78,;-17.55,-9.55,;-18.88,-8.78,;-20.21,-9.55,;-20.21,-11.09,;-18.88,-11.86,;-17.55,-11.09,;-10.75,-9.08,;-10.35,-7.59,;-5.99,-11.65,;-6.76,-12.99,;-5.99,-14.32,;-4.45,-14.32,;-3.68,-12.99,;-4.45,-11.65,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.15,3.2,(11.89,-7.46,;12.66,-8.79,;14.2,-8.79,;11.89,-10.13,;11.12,-11.46,;9.58,-11.46,;8.81,-10.13,;7.9,-8.88,;6.44,-9.36,;5.35,-8.27,;3.86,-8.67,;2.77,-7.58,;3.46,-10.15,;6.44,-10.9,;5.1,-11.67,;7.9,-11.37,;8.67,-12.71,;7.9,-14.04,;6.41,-14.44,;6.81,-15.93,;8.3,-15.53,;9.58,-8.79,;11.12,-8.79,;12.66,-11.46,;11.89,-12.79,;12.66,-14.13,;14.2,-14.13,;14.97,-12.79,;14.2,-11.46,)|
CN[C@@]1(CC[C@@]2(CC1)N(CC1(O)CCC1)C(=O)N(CC(=O)N1CCS(=O)(=O)CC1)C2=O)c1ccccc1 |r,wU:2.1,5.8,(-6.26,18.02,;-5.49,16.69,;-6.26,15.36,;-7.03,16.69,;-8.57,16.69,;-9.34,15.36,;-8.57,14.02,;-7.03,14.02,;-10.11,14.02,;-9.34,12.69,;-10.11,11.36,;-8.78,10.59,;-11.45,12.13,;-12.22,10.79,;-10.88,10.02,;-11.62,14.34,;-12.71,13.25,;-11.78,15.87,;-13.11,16.64,;-14.45,15.87,;-14.45,14.33,;-15.78,16.64,;-17.11,15.87,;-18.45,16.64,;-18.45,18.18,;-19.78,17.41,;-18.85,19.67,;-17.11,18.95,;-15.78,18.18,;-10.37,16.5,;-9.97,17.99,;-5.49,14.02,;-6.26,12.69,;-5.49,11.36,;-3.95,11.36,;-3.18,12.69,;-3.95,14.02,)|
COCCOCCOCCOCCNC(=O)CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:19.35,22.25,(-20.01,5.81,;-18.68,6.58,;-17.34,5.81,;-16.01,6.58,;-14.68,5.81,;-13.34,6.58,;-12.01,5.81,;-10.68,6.58,;-9.34,5.81,;-8.01,6.58,;-6.67,5.81,;-5.34,6.58,;-4.01,5.81,;-2.67,6.58,;-1.34,5.81,;-1.34,4.27,;-.01,6.58,;1.33,5.81,;2.79,6.28,;3.7,5.04,;4.47,3.7,;6.01,3.7,;6.78,5.04,;6.01,6.37,;4.47,6.37,;7.55,6.37,;6.78,7.7,;9.09,6.37,;7.55,3.7,;6.78,2.37,;7.55,1.04,;9.09,1.04,;9.86,2.37,;9.09,3.7,;2.79,3.79,;1.33,4.27,;-.01,3.5,)|
CN[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:2.1,5.19,(-3.12,-3.32,;-4.61,-2.92,;-5.7,-4.01,;-6.47,-5.34,;-8.01,-5.34,;-8.78,-4.01,;-9.86,-2.92,;-11.24,-3.62,;-12.57,-2.85,;-13.9,-3.62,;-13.51,-5.11,;-15.39,-3.22,;-15.39,-1.68,;-16.48,-4.31,;-17.97,-3.91,;-19.06,-5,;-18.37,-2.42,;-11,-5.14,;-12.33,-5.91,;-9.47,-5.38,;-8.01,-2.67,;-6.47,-2.67,;-4.61,-5.1,;-5,-6.58,;-3.92,-7.67,;-2.43,-7.27,;-2.03,-5.79,;-3.12,-4.7,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:3.2,6.20,(18.92,-3.57,;17.44,-3.17,;17.04,-1.69,;16.35,-4.26,;15.58,-5.6,;14.04,-5.6,;13.27,-4.26,;12.18,-3.17,;10.81,-3.87,;9.47,-3.1,;8.14,-3.87,;8.54,-5.36,;6.65,-3.47,;6.65,-1.93,;5.56,-4.56,;4.07,-4.16,;2.98,-5.25,;3.67,-2.68,;11.05,-5.39,;9.71,-6.16,;12.57,-5.63,;14.04,-2.93,;15.58,-2.93,;17.44,-5.35,;17.04,-6.84,;18.13,-7.93,;19.61,-7.53,;20.01,-6.04,;18.92,-4.95,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2COC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-3.03,-13.37,;-4.52,-12.98,;-4.91,-11.49,;-5.6,-14.06,;-6.37,-15.4,;-7.91,-15.4,;-8.68,-14.06,;-9.59,-12.82,;-11.05,-13.29,;-12.39,-12.52,;-13.72,-13.29,;-13.72,-14.83,;-15.06,-12.52,;-15.06,-10.98,;-16.39,-13.29,;-17.72,-12.52,;-19.06,-13.29,;-17.72,-10.98,;-11.05,-14.83,;-12.39,-15.6,;-9.59,-15.31,;-9.19,-16.8,;-9.96,-18.13,;-11.5,-18.13,;-11.5,-19.67,;-9.96,-19.67,;-7.91,-12.73,;-6.37,-12.73,;-4.27,-14.83,;-4.27,-16.37,;-2.94,-17.14,;-1.6,-16.37,;-1.6,-14.83,;-2.94,-14.06,)|
CN[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2)CC1)c1ccccc1 |r,wU:2.1,5.18,(18.69,-12.39,;17.2,-12,;16.11,-13.08,;15.34,-14.42,;13.8,-14.42,;13.03,-13.08,;11.94,-12,;10.57,-12.69,;9.23,-11.92,;7.9,-12.69,;8.3,-14.18,;6.41,-12.3,;6.41,-10.76,;5.32,-13.39,;3.84,-12.99,;2.75,-14.08,;10.81,-14.22,;9.48,-14.99,;12.33,-14.46,;13.8,-11.75,;15.34,-11.75,;17.2,-14.17,;16.8,-15.66,;17.89,-16.75,;19.38,-16.35,;19.77,-14.86,;18.69,-13.78,)|
CN(C)[C@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.15,3.2,(-10.03,29.8,;-9.26,28.46,;-7.72,28.46,;-10.03,27.13,;-10.8,25.79,;-12.34,25.79,;-13.11,27.13,;-14.01,28.37,;-15.48,27.9,;-16.81,28.67,;-18.14,27.9,;-19.48,28.67,;-18.14,26.36,;-15.48,26.36,;-16.81,25.59,;-14.01,25.88,;-13.24,24.55,;-14.33,23.46,;-15.82,23.06,;-14.73,21.97,;-12.34,28.46,;-10.8,28.46,;-9.26,25.79,;-10.03,24.46,;-9.26,23.13,;-7.72,23.13,;-6.95,24.46,;-7.72,25.79,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(15.78,29.8,;16.55,28.46,;18.09,28.46,;15.78,27.13,;15.01,25.79,;13.47,25.79,;12.7,27.13,;11.8,28.37,;10.33,27.9,;9,28.67,;7.66,27.9,;7.66,26.36,;6.33,28.67,;5,27.9,;3.66,28.67,;2.33,27.9,;10.33,26.36,;9,25.59,;11.8,25.88,;12.57,24.55,;11.48,23.46,;9.99,23.06,;11.08,21.97,;13.47,28.46,;15.01,28.46,;16.55,25.79,;15.78,24.46,;16.55,23.13,;18.09,23.13,;18.86,24.46,;18.09,25.79,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.19,3.2,(-8.72,17.65,;-7.95,16.31,;-6.41,16.31,;-8.72,14.98,;-9.49,13.65,;-11.03,13.65,;-11.8,14.98,;-12.71,16.23,;-14.17,15.75,;-15.26,16.84,;-16.75,16.44,;-17.15,14.95,;-17.84,17.53,;-17.44,19.02,;-19.32,17.13,;-20.41,18.22,;-19.64,19.55,;-14.17,14.21,;-15.5,13.44,;-12.71,13.74,;-12.31,12.25,;-13.4,11.16,;-14.94,11.16,;-14.94,9.62,;-13.4,9.62,;-11.03,16.31,;-9.49,16.31,;-7.95,13.65,;-8.72,12.31,;-7.95,10.98,;-6.41,10.98,;-5.64,12.31,;-4.1,12.31,;-6.41,13.65,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)OC(C)(C)C)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.19,3.2,(12.06,16.82,;12.83,15.49,;14.37,15.49,;12.06,14.15,;11.29,12.82,;9.75,12.82,;8.98,14.15,;8.07,15.4,;6.61,14.92,;5.52,16.01,;4.03,15.61,;3.63,14.13,;2.94,16.7,;2.94,18.24,;1.61,19.01,;4.28,19.01,;2.94,19.78,;6.61,13.38,;5.28,12.61,;8.07,12.91,;8.47,11.42,;7.38,10.33,;5.84,10.33,;5.84,8.79,;7.38,8.79,;9.75,15.49,;11.29,15.49,;12.83,12.82,;12.06,11.49,;12.83,10.15,;14.37,10.15,;15.14,11.49,;16.68,11.49,;14.37,12.82,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-6.26,5.81,;-5.49,4.48,;-3.95,4.48,;-6.26,3.15,;-7.03,1.81,;-8.57,1.81,;-9.34,3.15,;-10.25,4.39,;-11.71,3.92,;-13.04,4.69,;-14.38,3.92,;-14.38,2.38,;-15.71,4.69,;-15.71,6.23,;-17.05,3.92,;-18.38,4.69,;-19.71,3.92,;-11.71,2.38,;-13.04,1.61,;-10.25,1.9,;-9.48,.57,;-10.57,-.52,;-12.05,-.92,;-10.96,-2.01,;-8.57,4.48,;-7.03,4.48,;-5.49,1.81,;-6.26,.48,;-5.49,-.85,;-3.95,-.85,;-3.18,.48,;-3.95,1.81,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(16.4,6.22,;17.17,4.88,;18.71,4.88,;16.4,3.55,;15.63,2.21,;14.09,2.21,;13.32,3.55,;12.41,4.79,;10.95,4.32,;9.61,5.09,;8.28,4.32,;8.28,2.78,;6.95,5.09,;5.61,4.32,;4.28,5.09,;2.94,4.32,;1.61,5.09,;2.17,2.98,;3.71,2.98,;10.95,2.78,;9.61,2.01,;12.41,2.3,;13.18,.97,;12.09,-.12,;10.6,-.52,;11.69,-1.61,;14.09,4.88,;15.63,4.88,;17.17,2.21,;16.4,.88,;17.17,-.45,;18.71,-.45,;19.48,.88,;18.71,2.21,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.20,3.2,(-6.24,-6.67,;-5.47,-8,;-3.93,-8,;-6.24,-9.33,;-7.01,-10.67,;-8.55,-10.67,;-9.32,-9.33,;-10.23,-8.09,;-11.69,-8.56,;-12.78,-7.47,;-14.27,-7.87,;-14.67,-9.36,;-15.36,-6.78,;-14.96,-5.3,;-16.85,-7.18,;-17.94,-6.09,;-19.48,-6.09,;-17.17,-4.76,;-11.69,-10.1,;-13.03,-10.87,;-10.23,-10.58,;-9.83,-12.07,;-10.92,-13.16,;-12.46,-13.16,;-12.46,-14.7,;-10.92,-14.7,;-8.55,-8,;-7.01,-8,;-5.47,-10.67,;-6.24,-12,;-5.47,-13.33,;-3.93,-13.33,;-3.16,-12,;-1.62,-12,;-3.93,-10.67,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(17.35,-7.48,;18.12,-8.82,;19.66,-8.82,;17.35,-10.15,;16.58,-11.48,;15.04,-11.48,;14.27,-10.15,;13.37,-8.9,;11.9,-9.38,;10.57,-8.61,;9.23,-9.38,;9.23,-10.92,;7.9,-8.61,;7.9,-7.07,;6.57,-6.3,;5.23,-7.07,;5.23,-8.61,;6.57,-9.38,;3.9,-6.3,;2.57,-7.07,;3.9,-4.76,;11.9,-10.92,;10.57,-11.69,;13.37,-11.4,;14.14,-12.73,;13.05,-13.82,;14.38,-14.59,;11.51,-13.82,;11.51,-15.36,;13.05,-15.36,;15.04,-8.82,;16.58,-8.82,;18.12,-11.48,;17.35,-12.82,;18.12,-14.15,;19.66,-14.15,;20.43,-12.82,;19.66,-11.48,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)S(C)(=O)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(-5.65,-21.92,;-4.88,-23.25,;-3.34,-23.25,;-5.65,-24.59,;-6.42,-25.92,;-7.96,-25.92,;-8.73,-24.59,;-9.63,-23.34,;-11.1,-23.82,;-12.43,-23.05,;-13.76,-23.82,;-13.76,-25.36,;-15.1,-23.05,;-15.1,-21.51,;-16.43,-20.74,;-17.76,-21.51,;-17.76,-23.05,;-16.43,-23.82,;-19.1,-20.74,;-20.43,-21.51,;-19.87,-19.4,;-18.33,-19.4,;-11.1,-25.36,;-12.43,-26.13,;-9.63,-25.83,;-8.86,-27.17,;-9.95,-28.26,;-8.62,-29.03,;-11.49,-28.26,;-11.49,-29.8,;-9.95,-29.8,;-7.96,-23.25,;-6.42,-23.25,;-4.88,-25.92,;-5.65,-27.25,;-4.88,-28.59,;-3.34,-28.59,;-2.57,-27.25,;-3.34,-25.92,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1cccc(F)c1 |r,wU:6.18,3.2,(13.32,-21.31,;14.09,-22.64,;15.63,-22.64,;13.32,-23.98,;12.55,-25.31,;11.01,-25.31,;10.24,-23.98,;9.34,-22.73,;7.87,-23.21,;6.78,-22.12,;5.29,-22.52,;4.9,-24,;4.2,-21.43,;2.72,-21.83,;1.63,-20.74,;2.4,-19.4,;7.87,-24.75,;6.54,-25.52,;9.34,-25.22,;9.73,-26.71,;8.64,-27.8,;7.1,-27.8,;7.1,-29.34,;8.64,-29.34,;11.01,-22.64,;12.55,-22.64,;14.09,-25.31,;13.32,-26.64,;14.09,-27.98,;15.63,-27.98,;16.4,-26.64,;17.94,-26.64,;15.63,-25.31,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.18,(-5.75,30.63,;-5.35,29.14,;-3.86,28.74,;-6.44,28.05,;-7.21,29.38,;-8.75,29.38,;-9.52,28.05,;-10.42,29.3,;-11.89,28.82,;-12.97,29.91,;-14.46,29.51,;-14.86,28.02,;-15.55,30.6,;-17.04,30.2,;-18.37,30.97,;-19.71,30.2,;-11.89,27.28,;-13.22,26.51,;-10.42,26.8,;-9.65,25.47,;-10.42,24.14,;-11.91,23.74,;-11.51,22.25,;-10.02,22.65,;-8.75,26.72,;-7.21,26.72,;-5.35,26.96,;-5.75,25.47,;-4.66,24.39,;-3.17,24.78,;-2.77,26.27,;-3.86,27.36,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.20,(16.71,30.61,;17.11,29.12,;18.6,28.73,;16.02,28.03,;15.25,29.37,;13.71,29.37,;12.94,28.03,;12.04,29.28,;10.57,28.8,;9.24,29.57,;7.91,28.8,;7.91,27.26,;6.57,29.57,;6.57,31.11,;5.24,28.8,;3.9,29.57,;2.57,28.8,;3.9,31.11,;10.57,27.26,;9.24,26.49,;12.04,26.79,;12.81,25.46,;12.04,24.12,;10.55,23.72,;10.95,22.24,;12.44,22.63,;13.71,26.7,;15.25,26.7,;17.11,26.95,;16.71,25.46,;17.8,24.37,;19.29,24.77,;19.69,26.26,;18.6,27.34,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(C)(O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.78,17.89,;-6.01,16.56,;-4.47,16.56,;-6.78,15.23,;-7.55,13.89,;-9.09,13.89,;-9.86,15.23,;-10.76,16.47,;-12.23,16,;-13.56,16.77,;-14.9,16,;-14.9,14.46,;-16.23,16.77,;-16.23,18.31,;-17.56,19.08,;-18.9,18.31,;-20.44,18.31,;-19.67,19.64,;-18.9,16.77,;-17.56,16,;-12.23,14.46,;-13.56,13.69,;-10.76,13.98,;-9.99,12.65,;-11.08,11.56,;-9.75,10.79,;-12.62,11.56,;-12.62,10.02,;-11.08,10.02,;-9.09,16.56,;-7.55,16.56,;-6.01,13.89,;-6.78,12.56,;-6.01,11.23,;-4.47,11.23,;-3.7,12.56,;-4.47,13.89,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCO)C(=O)N2CC2CCC2)CC1)c1ccc(F)cc1 |r,wU:6.18,3.2,(13.33,17.74,;14.1,16.4,;15.64,16.4,;13.33,15.07,;12.56,13.73,;11.02,13.73,;10.25,15.07,;9.34,16.31,;7.88,15.84,;6.79,16.93,;5.3,16.53,;4.9,15.04,;4.21,17.62,;2.72,17.22,;1.63,18.31,;2.4,19.64,;7.88,14.3,;6.54,13.53,;9.34,13.82,;10.11,12.49,;9.02,11.4,;7.48,11.4,;7.48,9.86,;9.02,9.86,;11.02,16.4,;12.56,16.4,;14.1,13.73,;13.33,12.4,;14.1,11.07,;15.64,11.07,;16.73,9.98,;16.41,12.4,;15.64,13.73,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)N3CCOCC3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.21,(-8.03,4.81,;-7.63,3.32,;-6.14,2.92,;-8.72,2.23,;-9.49,3.57,;-11.03,3.57,;-11.8,2.23,;-12.7,3.48,;-14.17,3,;-15.26,4.09,;-16.74,3.69,;-17.14,2.21,;-17.83,4.78,;-17.44,6.27,;-18.52,7.36,;-20.01,6.96,;-20.41,5.47,;-19.32,4.39,;-14.17,1.46,;-15.5,.69,;-12.7,.99,;-11.93,-.34,;-13.02,-1.43,;-14.51,-1.83,;-13.42,-2.92,;-11.03,.9,;-9.49,.9,;-7.63,1.15,;-8.03,-.34,;-6.94,-1.43,;-5.45,-1.03,;-5.05,.46,;-6.14,1.54,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)N3CCOCC3)C(=O)N2)CC1)c1ccccc1 |r,wU:3.2,wD:6.21,(14.01,4.81,;14.41,3.32,;15.9,2.92,;13.32,2.23,;12.55,3.57,;11.01,3.57,;10.24,2.23,;9.34,3.48,;7.87,3,;6.78,4.09,;5.3,3.69,;4.9,2.21,;4.21,4.78,;4.61,6.27,;3.52,7.36,;2.03,6.96,;1.63,5.47,;2.72,4.39,;7.87,1.46,;6.54,.69,;9.34,.99,;11.01,.9,;12.55,.9,;14.41,1.15,;14.01,-.34,;15.1,-1.43,;16.59,-1.03,;16.99,.46,;15.9,1.54,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CCO)C(=O)N2CC2CCC2)CC1)c1ccc(F)cc1 |r,wU:6.19,3.2,(-8.72,-6.98,;-7.95,-8.31,;-6.41,-8.31,;-8.72,-9.65,;-9.49,-10.98,;-11.03,-10.98,;-11.8,-9.65,;-12.7,-8.4,;-14.16,-8.88,;-15.25,-7.79,;-16.74,-8.19,;-17.14,-9.67,;-17.83,-7.1,;-17.43,-5.61,;-19.32,-7.5,;-20.41,-6.41,;-19.64,-5.07,;-14.16,-10.42,;-15.5,-11.19,;-12.7,-10.89,;-11.93,-12.23,;-13.02,-13.32,;-14.56,-13.32,;-14.56,-14.86,;-13.02,-14.86,;-11.03,-8.31,;-9.49,-8.31,;-7.95,-10.98,;-8.72,-12.31,;-7.95,-13.65,;-6.41,-13.65,;-6.01,-15.14,;-5.64,-12.31,;-6.41,-10.98,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N(C)CC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccc(F)cc1 |r,wU:6.20,3.2,(15.8,-6.98,;16.57,-8.31,;18.11,-8.31,;15.8,-9.65,;15.03,-10.98,;13.49,-10.98,;12.72,-9.65,;11.82,-8.4,;10.35,-8.88,;9.26,-7.79,;7.78,-8.19,;7.38,-9.67,;6.69,-7.1,;7.46,-5.76,;5.2,-7.5,;4.11,-6.41,;2.57,-6.41,;4.88,-5.07,;10.35,-10.42,;9.02,-11.19,;11.82,-10.89,;12.59,-12.23,;11.5,-13.32,;9.96,-13.32,;9.96,-14.86,;11.5,-14.86,;13.49,-8.31,;15.03,-8.31,;16.57,-10.98,;15.8,-12.31,;16.57,-13.65,;18.11,-13.65,;18.88,-14.98,;18.88,-12.31,;18.11,-10.98,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(C)(O)CC3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.78,-22.32,;-6.01,-23.65,;-4.47,-23.65,;-6.78,-24.98,;-7.55,-26.32,;-9.09,-26.32,;-9.86,-24.98,;-10.76,-23.74,;-12.23,-24.21,;-13.56,-23.44,;-14.9,-24.21,;-14.9,-25.75,;-16.23,-23.44,;-16.23,-21.9,;-17.56,-21.13,;-18.9,-21.9,;-20.44,-21.9,;-19.67,-20.57,;-18.9,-23.44,;-17.56,-24.21,;-12.23,-25.75,;-13.56,-26.52,;-10.76,-26.23,;-9.99,-27.56,;-11.08,-28.65,;-12.57,-29.05,;-11.48,-30.14,;-9.09,-23.65,;-7.55,-23.65,;-6.01,-26.32,;-6.78,-27.65,;-6.01,-28.98,;-4.47,-28.98,;-3.7,-27.65,;-4.47,-26.32,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)C(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(17.36,-23.29,;18.13,-24.63,;19.67,-24.63,;17.36,-25.96,;16.59,-27.29,;15.05,-27.29,;14.28,-25.96,;13.37,-24.71,;11.91,-25.19,;10.57,-24.42,;9.24,-25.19,;9.24,-26.73,;7.91,-24.42,;7.91,-22.88,;6.57,-22.11,;5.24,-22.88,;5.24,-24.42,;6.57,-25.19,;3.9,-22.11,;2.57,-22.88,;3.9,-20.57,;11.91,-26.73,;10.57,-27.5,;13.37,-27.2,;14.14,-28.54,;13.05,-29.63,;11.57,-30.03,;12.65,-31.11,;15.05,-24.63,;16.59,-24.63,;18.13,-27.29,;17.36,-28.63,;18.13,-29.96,;19.67,-29.96,;20.44,-28.63,;19.67,-27.29,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.15,(-9.31,31.1,;-8.91,29.62,;-7.42,29.22,;-10,28.53,;-10.77,29.86,;-12.31,29.86,;-13.08,28.53,;-13.98,29.77,;-15.45,29.3,;-16.54,30.39,;-18.02,29.99,;-19.11,31.08,;-18.42,28.5,;-15.45,27.76,;-16.78,26.99,;-13.98,27.28,;-13.21,25.95,;-14.3,24.86,;-15.79,24.46,;-14.7,23.37,;-12.31,27.19,;-10.77,27.19,;-8.91,27.44,;-9.31,25.95,;-8.22,24.86,;-6.73,25.26,;-6.33,26.75,;-7.42,27.84,)|
CNC(=O)CN1C[C@]2(CC[C@](CC2)(N(C)C)c2ccccc2)N(CC2CC2)C1=O |r,wU:10.13,wD:7.23,(1.97,30.16,;3.45,30.56,;4.54,29.47,;4.14,27.98,;6.03,29.87,;7.12,28.78,;8.58,29.25,;9.49,28.01,;10.26,29.34,;11.8,29.34,;12.57,28.01,;11.8,26.67,;10.26,26.67,;13.66,29.1,;13.26,30.58,;15.15,28.7,;13.66,26.92,;13.26,25.43,;14.35,24.34,;15.84,24.74,;16.24,26.23,;15.15,27.32,;8.58,26.76,;9.35,25.43,;8.27,24.34,;6.78,23.94,;7.87,22.85,;7.12,27.24,;5.79,26.47,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:3.2,wD:6.23,(-6.37,16.72,;-5.97,15.24,;-4.48,14.84,;-7.06,14.15,;-7.83,15.48,;-9.37,15.48,;-10.14,14.15,;-11.04,15.39,;-12.51,14.92,;-13.6,16.01,;-15.08,15.61,;-15.48,14.12,;-16.17,16.7,;-15.77,18.19,;-16.86,19.27,;-18.35,18.88,;-19.84,18.48,;-18.75,20.36,;-18.75,17.39,;-17.66,16.3,;-12.51,13.38,;-13.84,12.61,;-11.04,12.9,;-10.27,11.57,;-11.36,10.48,;-12.85,10.08,;-11.76,8.99,;-9.37,12.81,;-7.83,12.81,;-5.97,13.06,;-6.37,11.57,;-5.28,10.48,;-3.79,10.88,;-3.39,12.37,;-4.48,13.46,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCC(CC3)S(C)(=O)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(18.09,17.49,;18.09,15.95,;19.43,15.18,;16.76,15.18,;15.99,13.85,;14.45,13.85,;13.68,15.18,;12.77,16.43,;11.31,15.95,;9.97,16.72,;8.64,15.95,;8.64,14.41,;7.31,16.72,;7.31,18.26,;5.97,19.03,;4.64,18.26,;4.64,16.72,;5.97,15.95,;3.31,19.03,;1.97,18.26,;2.54,20.36,;4.08,20.36,;11.31,14.41,;9.97,13.64,;12.77,13.93,;13.54,12.6,;12.45,11.51,;10.97,11.11,;12.06,10.02,;14.45,16.51,;15.99,16.51,;17.53,13.85,;16.76,12.51,;17.53,11.18,;19.07,11.18,;19.84,12.51,;19.07,13.85,)|
CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.37,3.54,;-5.97,2.05,;-4.48,1.65,;-7.06,.96,;-7.83,-.38,;-9.37,-.38,;-10.14,.96,;-11.04,2.2,;-12.51,1.73,;-13.6,2.82,;-15.08,2.42,;-15.48,.93,;-16.17,3.51,;-15.77,5,;-16.86,6.08,;-18.35,5.69,;-19.84,5.29,;-18.75,7.17,;-18.75,4.2,;-17.66,3.11,;-12.51,.19,;-13.84,-.58,;-11.04,-.29,;-10.64,-1.77,;-11.41,-3.11,;-10.08,-3.88,;-12.75,-2.34,;-13.52,-3.67,;-12.18,-4.44,;-9.37,2.29,;-7.83,2.29,;-5.97,-.13,;-6.37,-1.62,;-5.28,-2.71,;-3.79,-2.31,;-3.39,-.82,;-4.48,.27,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(N)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:3.2,wD:6.15,(12.73,7.21,;13.13,5.72,;14.62,5.32,;12.04,4.63,;11.27,5.97,;9.73,5.97,;8.96,4.63,;8.06,5.88,;6.59,5.4,;5.5,6.49,;4.02,6.09,;2.93,7.18,;3.62,4.61,;6.59,3.86,;5.26,3.09,;8.06,3.39,;9.73,3.3,;11.27,3.3,;13.13,3.54,;12.73,2.06,;13.82,.97,;15.31,1.37,;15.71,2.85,;14.62,3.94,)|
CN(C)[C@@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2)CC1)c1ccccc1 |r,wU:3.2,wD:6.23,(-6.37,-10.9,;-5.97,-12.39,;-4.48,-12.79,;-7.06,-13.48,;-7.83,-12.15,;-9.37,-12.15,;-10.14,-13.48,;-11.04,-12.23,;-12.51,-12.71,;-13.6,-11.62,;-15.08,-12.02,;-15.48,-13.51,;-16.17,-10.93,;-15.77,-9.44,;-16.86,-8.35,;-18.35,-8.75,;-19.84,-9.15,;-18.75,-7.26,;-18.75,-10.24,;-17.66,-11.33,;-12.51,-14.25,;-13.84,-15.02,;-11.04,-14.72,;-9.37,-14.81,;-7.83,-14.81,;-5.97,-14.57,;-6.37,-16.06,;-5.28,-17.14,;-3.79,-16.75,;-3.39,-15.26,;-4.48,-14.17,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(cc3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-6.07,31.9,;-5.67,30.41,;-4.18,30.01,;-6.76,29.32,;-7.53,27.99,;-9.07,27.99,;-9.84,29.32,;-10.74,30.57,;-12.21,30.09,;-13.54,30.86,;-14.88,30.09,;-16.21,30.86,;-17.54,30.09,;-17.54,28.55,;-16.21,27.78,;-14.88,28.55,;-18.88,27.78,;-19.65,29.12,;-20.21,27.01,;-18.11,26.45,;-12.21,28.55,;-13.54,27.78,;-10.74,28.08,;-10.35,26.59,;-11.44,25.5,;-12.98,25.5,;-12.98,23.96,;-11.44,23.96,;-9.07,30.66,;-7.53,30.66,;-5.67,28.23,;-6.07,26.75,;-4.98,25.66,;-3.49,26.05,;-3.09,27.54,;-4.18,28.63,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(C(C)C)C2=O)cc1 |r,wU:9.25,12.15,(-20.44,17.48,;-19.11,16.71,;-17.77,17.48,;-17.77,19.02,;-16.44,19.79,;-15.11,19.02,;-13.77,19.79,;-12.44,19.02,;-10.97,19.5,;-10.07,18.25,;-9.3,16.92,;-7.76,16.92,;-6.99,18.25,;-7.76,19.59,;-9.3,19.59,;-6.22,19.59,;-6.99,20.92,;-4.68,19.59,;-6.22,16.92,;-6.99,15.58,;-6.22,14.25,;-4.68,14.25,;-3.91,15.58,;-4.68,16.92,;-10.97,17.01,;-10.58,15.52,;-11.67,14.43,;-9.09,15.12,;-12.44,17.48,;-13.77,16.71,;-15.11,17.48,;-16.44,16.71,)|
COc1cccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:10.26,13.16,(1.6,30.09,;2.93,30.86,;4.27,30.09,;4.27,28.55,;5.6,27.78,;6.93,28.55,;6.93,30.09,;8.27,30.86,;9.6,30.09,;11.07,30.57,;11.97,29.32,;12.74,27.99,;14.28,27.99,;15.05,29.32,;14.28,30.66,;12.74,30.66,;16.14,30.41,;15.74,31.9,;17.63,30.01,;16.14,28.23,;15.74,26.75,;16.83,25.66,;18.32,26.05,;18.72,27.54,;17.63,28.63,;11.07,28.08,;11.46,26.59,;10.38,25.5,;8.84,25.5,;8.84,23.96,;10.38,23.96,;9.6,28.55,;8.27,27.78,;5.6,30.86,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CC3)C2=O)cc1 |r,wU:9.25,12.15,(1.6,17.48,;2.93,16.71,;4.27,17.48,;4.27,19.02,;5.6,19.79,;6.93,19.02,;8.27,19.79,;9.6,19.02,;11.07,19.5,;11.97,18.25,;12.74,16.92,;14.28,16.92,;15.05,18.25,;14.28,19.59,;12.74,19.59,;15.82,19.59,;15.05,20.92,;17.36,19.59,;15.82,16.92,;15.05,15.58,;15.82,14.25,;17.36,14.25,;18.13,15.58,;17.36,16.92,;11.07,17.01,;11.46,15.52,;10.38,14.43,;8.89,14.03,;9.98,12.94,;9.6,17.48,;8.27,16.71,;6.93,17.48,;5.6,16.71,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCCOC(F)(F)F)C2=O)cc1 |r,wU:9.25,12.15,(-19.67,5.36,;-18.34,4.59,;-17,5.36,;-17,6.9,;-15.67,7.67,;-14.34,6.9,;-13,7.67,;-11.67,6.9,;-10.2,7.38,;-9.3,6.13,;-8.53,4.8,;-6.99,4.8,;-6.22,6.13,;-6.99,7.46,;-8.53,7.46,;-5.45,7.46,;-6.22,8.8,;-3.91,7.46,;-5.45,4.8,;-6.22,3.46,;-5.45,2.13,;-3.91,2.13,;-3.14,3.46,;-3.91,4.8,;-10.2,4.88,;-9.81,3.4,;-10.9,2.31,;-10.5,.82,;-11.59,-.27,;-11.19,-1.76,;-12.28,-2.85,;-9.7,-2.16,;-10.79,-3.24,;-11.67,5.36,;-13,4.59,;-14.34,5.36,;-15.67,4.59,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(13.3,8.59,;13.7,7.1,;15.19,6.7,;12.61,6.01,;11.84,4.68,;10.3,4.68,;9.53,6.01,;8.63,7.26,;7.16,6.78,;5.83,7.55,;4.5,6.78,;4.5,5.24,;3.16,4.47,;1.83,5.24,;1.83,6.78,;3.16,7.55,;3.16,9.09,;4.5,9.86,;1.83,9.86,;7.16,5.24,;5.83,4.47,;8.63,4.76,;9.03,3.28,;7.94,2.19,;6.4,2.19,;6.4,.65,;7.94,.65,;10.3,7.34,;11.84,7.34,;13.7,4.92,;13.7,3.38,;15.03,2.61,;16.37,3.38,;16.37,4.92,;15.04,5.69,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC3CCC3)C2=O)cc1 |r,wU:9.25,12.15,(2.37,5.36,;3.7,4.59,;5.04,5.36,;5.04,6.9,;6.37,7.67,;7.7,6.9,;9.04,7.67,;10.37,6.9,;11.84,7.38,;12.74,6.13,;13.51,4.8,;15.05,4.8,;15.82,6.13,;15.05,7.46,;13.51,7.46,;16.59,7.46,;15.82,8.8,;18.13,7.46,;16.59,4.8,;15.82,3.46,;16.59,2.13,;18.13,2.13,;18.9,3.46,;18.13,4.8,;11.84,4.88,;12.23,3.4,;11.15,2.31,;11.54,.82,;10.77,-.51,;12.11,-1.28,;12.88,.05,;10.37,5.36,;9.04,4.59,;7.7,5.36,;6.37,4.59,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cnccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.95,-1.96,;-8.56,-3.45,;-7.07,-3.85,;-9.65,-4.54,;-10.42,-5.87,;-11.96,-5.87,;-12.73,-4.54,;-13.63,-3.29,;-15.09,-3.77,;-16.43,-3,;-17.76,-3.77,;-17.76,-5.31,;-19.1,-6.08,;-20.43,-5.31,;-20.43,-3.77,;-19.1,-3,;-15.09,-5.31,;-16.43,-6.08,;-13.63,-5.79,;-13.23,-7.27,;-14.32,-8.36,;-15.86,-8.36,;-15.86,-9.9,;-14.32,-9.9,;-11.96,-3.21,;-10.42,-3.21,;-8.56,-5.63,;-8.95,-7.12,;-7.87,-8.21,;-6.38,-7.81,;-5.98,-6.32,;-7.07,-5.23,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CC(F)(F)C3)C2=O)cc1 |r,wU:9.25,12.15,(-19.67,-9.6,;-18.34,-10.37,;-17,-9.6,;-17,-8.06,;-15.67,-7.29,;-14.34,-8.06,;-13,-7.29,;-11.67,-8.06,;-10.2,-7.59,;-9.3,-8.83,;-8.53,-10.16,;-6.99,-10.16,;-6.22,-8.83,;-6.99,-7.5,;-8.53,-7.5,;-5.45,-7.5,;-6.22,-6.16,;-3.91,-7.5,;-5.45,-10.16,;-6.22,-11.5,;-5.45,-12.83,;-3.91,-12.83,;-3.14,-11.5,;-3.91,-10.16,;-10.2,-10.08,;-9.81,-11.56,;-10.9,-12.65,;-12.44,-12.65,;-12.44,-14.19,;-12.44,-15.73,;-13.92,-14.59,;-10.9,-14.19,;-11.67,-9.6,;-13,-10.37,;-14.34,-9.6,;-15.67,-10.37,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)CC#N)c3ccccc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.27,12.15,(2.37,-11.15,;3.7,-11.92,;5.04,-11.15,;5.04,-9.61,;6.37,-8.84,;7.7,-9.61,;9.04,-8.84,;10.37,-9.61,;11.84,-9.13,;12.74,-10.38,;13.51,-11.71,;15.05,-11.71,;15.82,-10.38,;15.05,-9.04,;13.51,-9.04,;16.59,-9.04,;15.82,-7.71,;18.13,-9.04,;18.9,-7.71,;19.67,-6.38,;16.59,-11.71,;15.82,-13.04,;16.59,-14.38,;18.13,-14.38,;18.9,-13.04,;18.13,-11.71,;11.84,-11.62,;12.23,-13.11,;11.15,-14.2,;9.61,-14.2,;9.61,-15.74,;11.15,-15.74,;10.37,-11.15,;9.04,-11.92,;7.7,-11.15,;6.37,-11.92,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(cc3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-6.07,-12.46,;-5.67,-13.95,;-4.18,-14.35,;-6.76,-15.04,;-7.53,-16.37,;-9.07,-16.37,;-9.84,-15.04,;-10.74,-13.79,;-12.21,-14.27,;-13.54,-13.5,;-14.88,-14.27,;-16.21,-13.5,;-17.54,-14.27,;-17.54,-15.81,;-16.21,-16.58,;-14.88,-15.81,;-18.88,-16.58,;-18.88,-18.12,;-20.21,-15.81,;-12.21,-15.81,;-13.54,-16.58,;-10.74,-16.28,;-10.35,-17.77,;-11.44,-18.86,;-12.98,-18.86,;-12.98,-20.4,;-11.44,-20.4,;-9.07,-13.71,;-7.53,-13.71,;-5.67,-16.13,;-6.07,-17.62,;-4.98,-18.7,;-3.49,-18.31,;-3.09,-16.82,;-4.18,-15.73,)|
COCCN(C)[C@]1(CC[C@]2(CN(Cc3ccc(OC)cc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:9.24,6.5,(-.83,-22.01,;-1.6,-23.34,;-3.14,-23.34,;-3.91,-24.68,;-5.45,-24.68,;-6.22,-23.34,;-6.22,-26.01,;-6.99,-27.34,;-8.53,-27.34,;-9.3,-26.01,;-10.2,-24.77,;-11.67,-25.24,;-13,-24.47,;-14.34,-25.24,;-15.67,-24.47,;-17,-25.24,;-17,-26.78,;-18.34,-27.55,;-19.67,-26.78,;-15.67,-27.55,;-14.34,-26.78,;-11.67,-26.78,;-13,-27.55,;-10.2,-27.26,;-9.81,-28.74,;-10.9,-29.83,;-12.44,-29.83,;-12.44,-31.37,;-10.9,-31.37,;-8.53,-24.68,;-6.99,-24.68,;-5.45,-27.34,;-6.22,-28.68,;-5.45,-30.01,;-3.91,-30.01,;-3.14,-28.68,;-3.91,-27.34,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)cc1 |r,wU:9.25,12.15,(2.37,-25.45,;3.7,-26.22,;5.04,-25.45,;5.04,-23.91,;6.37,-23.14,;7.7,-23.91,;9.04,-23.14,;10.37,-23.91,;11.84,-23.43,;12.74,-24.68,;13.51,-26.01,;15.05,-26.01,;15.82,-24.68,;15.05,-23.34,;13.51,-23.34,;16.59,-23.34,;15.82,-22.01,;18.13,-23.34,;16.59,-26.01,;15.82,-27.34,;16.59,-28.68,;18.13,-28.68,;18.9,-27.34,;18.13,-26.01,;11.84,-25.92,;12.23,-27.41,;11.15,-28.5,;11.54,-29.99,;9.66,-28.1,;8.57,-29.19,;7.08,-28.79,;8.97,-30.68,;7.48,-30.28,;10.37,-25.45,;9.04,-26.22,;7.7,-25.45,;6.37,-26.22,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccc(F)cc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.26,12.15,(-20.44,-27.31,;-19.11,-28.08,;-17.77,-27.31,;-17.77,-25.77,;-16.44,-25,;-15.11,-25.77,;-13.77,-25,;-12.44,-25.77,;-10.97,-25.29,;-10.07,-26.54,;-9.3,-27.87,;-7.76,-27.87,;-6.99,-26.54,;-7.76,-25.2,;-9.3,-25.2,;-6.22,-25.2,;-6.99,-23.87,;-4.68,-25.2,;-6.22,-27.87,;-6.99,-29.2,;-6.22,-30.54,;-4.68,-30.54,;-3.91,-31.87,;-3.91,-29.2,;-4.68,-27.87,;-10.97,-27.78,;-10.58,-29.27,;-11.67,-30.36,;-13.21,-30.36,;-13.21,-31.9,;-11.67,-31.9,;-12.44,-27.31,;-13.77,-28.08,;-15.11,-27.31,;-16.44,-28.08,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3cccc(OC)c3)N(CC3CCC3)C2=O)cc1 |r,wU:9.27,12.15,(1.6,-27.31,;2.93,-28.08,;4.27,-27.31,;4.27,-25.77,;5.6,-25,;6.93,-25.77,;8.27,-25,;9.6,-25.77,;11.07,-25.29,;11.97,-26.54,;12.74,-27.87,;14.28,-27.87,;15.05,-26.54,;14.28,-25.2,;12.74,-25.2,;15.82,-25.2,;15.05,-23.87,;17.36,-25.2,;15.82,-27.87,;15.05,-29.2,;15.82,-30.54,;17.36,-30.54,;18.13,-29.2,;19.67,-29.2,;20.44,-27.87,;17.36,-27.87,;11.07,-27.78,;11.46,-29.27,;10.38,-30.36,;8.84,-30.36,;8.84,-31.9,;10.38,-31.9,;9.6,-27.31,;8.27,-28.08,;6.93,-27.31,;5.6,-28.08,)|
CN[C@]1(CC[C@]2(CN(Cc3ccc(OC)cc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.20,2.1,(16.21,33.37,;16.98,32.04,;16.21,30.7,;15.44,29.37,;13.9,29.37,;13.13,30.7,;12.22,31.95,;10.76,31.47,;9.42,32.24,;8.09,31.47,;6.76,32.24,;5.42,31.47,;5.42,29.93,;4.09,29.16,;2.75,29.93,;6.76,29.16,;8.09,29.93,;10.76,29.93,;9.42,29.16,;12.22,29.46,;12.62,27.97,;11.53,26.88,;9.99,26.88,;9.99,25.34,;11.53,25.34,;13.9,32.04,;15.44,32.04,;16.98,29.37,;16.21,28.04,;16.98,26.7,;18.52,26.7,;19.29,28.04,;18.52,29.37,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccc(OC)cc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.27,12.15,(-20.05,25.85,;-18.72,25.08,;-17.39,25.85,;-17.39,27.39,;-16.05,28.16,;-14.72,27.39,;-13.39,28.16,;-12.05,27.39,;-10.59,27.87,;-9.68,26.62,;-8.91,25.29,;-7.37,25.29,;-6.6,26.62,;-7.37,27.96,;-8.91,27.96,;-5.83,27.96,;-6.6,29.29,;-4.29,27.96,;-5.83,25.29,;-6.6,23.96,;-5.83,22.62,;-4.29,22.62,;-3.52,21.29,;-1.98,21.29,;-3.52,23.96,;-4.29,25.29,;-10.59,25.38,;-10.19,23.89,;-11.28,22.8,;-12.82,22.8,;-12.82,21.26,;-11.28,21.26,;-12.05,25.85,;-13.39,25.08,;-14.72,25.85,;-16.05,25.08,)|
COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.20,22.27,(-13.09,16.25,;-12,17.34,;-10.51,16.94,;-10.11,15.46,;-9.42,18.03,;-9.82,19.52,;-11.28,20,;-12.62,19.23,;-11.28,21.54,;-12.62,22.31,;-13.95,21.54,;-15.29,22.31,;-16.62,21.54,;-16.62,20,;-17.95,19.23,;-19.29,20,;-15.29,19.23,;-13.95,20,;-9.82,22.01,;-8.91,20.77,;-8.14,19.43,;-6.6,19.43,;-5.83,20.77,;-6.6,22.1,;-8.14,22.1,;-5.06,22.1,;-5.83,23.43,;-3.52,22.1,;-5.06,19.43,;-5.83,18.1,;-5.06,16.76,;-3.52,16.76,;-2.75,18.1,;-3.52,19.43,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(C)C)C2=O)cc1 |r,wU:9.25,12.15,(1.99,25.85,;3.32,25.08,;4.65,25.85,;4.65,27.39,;5.99,28.16,;7.32,27.39,;8.66,28.16,;9.99,27.39,;11.45,27.87,;12.36,26.62,;13.13,25.29,;14.67,25.29,;15.44,26.62,;14.67,27.96,;13.13,27.96,;16.21,27.96,;15.44,29.29,;17.75,27.96,;16.21,25.29,;15.44,23.96,;16.21,22.62,;17.75,22.62,;18.52,23.96,;17.75,25.29,;11.45,25.38,;11.85,23.89,;10.76,22.8,;11.16,21.31,;9.28,23.2,;9.99,25.85,;8.66,25.08,;7.32,25.85,;5.99,25.08,)|
CCCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:18.19,21.26,(-11.97,9.78,;-10.88,10.87,;-11.28,12.36,;-10.19,13.45,;-10.59,14.93,;-12.05,15.41,;-13.39,14.64,;-12.05,16.95,;-13.39,17.72,;-14.72,16.95,;-16.05,17.72,;-17.39,16.95,;-17.39,15.41,;-18.72,14.64,;-20.05,15.41,;-16.05,14.64,;-14.72,15.41,;-10.59,17.43,;-9.68,16.18,;-8.91,14.85,;-7.37,14.85,;-6.6,16.18,;-7.37,17.51,;-8.91,17.51,;-5.83,17.51,;-6.6,18.85,;-4.29,17.51,;-5.83,14.85,;-6.6,13.51,;-5.83,12.18,;-4.29,12.18,;-3.52,13.51,;-4.29,14.85,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(Cc3ccccc3)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,9.83,;-17.95,9.06,;-16.62,9.83,;-16.62,11.37,;-15.29,12.14,;-13.95,11.37,;-12.62,12.14,;-11.28,11.37,;-9.82,11.84,;-8.91,10.6,;-8.14,9.27,;-6.6,9.27,;-5.83,10.6,;-6.6,11.93,;-8.14,11.93,;-5.06,11.93,;-5.83,13.27,;-3.52,11.93,;-5.06,9.27,;-5.83,7.93,;-5.06,6.6,;-3.52,6.6,;-2.75,7.93,;-3.52,9.27,;-9.82,9.35,;-9.42,7.87,;-10.51,6.78,;-12,7.18,;-13.09,6.09,;-12.69,4.6,;-11.2,4.2,;-10.11,5.29,;-11.28,9.83,;-12.62,9.06,;-13.95,9.83,;-15.29,9.06,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3cccc(F)c3)NC2=O)cc1 |r,wU:9.26,12.15,(-20.05,4.44,;-18.72,3.67,;-17.39,4.44,;-17.39,5.98,;-16.05,6.75,;-14.72,5.98,;-13.39,6.75,;-12.05,5.98,;-10.59,6.45,;-9.68,5.21,;-8.91,3.87,;-7.37,3.87,;-6.6,5.21,;-7.37,6.54,;-8.91,6.54,;-5.83,6.54,;-6.6,7.88,;-4.29,6.54,;-5.83,3.87,;-6.6,2.54,;-5.83,1.21,;-4.29,1.21,;-3.52,2.54,;-1.98,2.54,;-4.29,3.87,;-10.59,3.96,;-12.05,4.44,;-13.39,3.67,;-14.72,4.44,;-16.05,3.67,)|
CNC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.20,22.27,(8.95,6.09,;10.04,7.18,;11.53,6.78,;11.93,5.29,;12.62,7.87,;12.22,9.35,;10.76,9.83,;9.42,9.06,;10.76,11.37,;9.42,12.14,;8.09,11.37,;6.76,12.14,;5.42,11.37,;5.42,9.83,;4.09,9.06,;2.75,9.83,;6.76,9.06,;8.09,9.83,;12.22,11.84,;13.13,10.6,;13.9,9.27,;15.44,9.27,;16.21,10.6,;15.44,11.93,;13.9,11.93,;16.98,11.93,;16.21,13.27,;18.52,11.93,;16.98,9.27,;16.21,7.93,;16.98,6.6,;18.52,6.6,;19.29,7.93,;18.52,9.27,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3cccc(O)c3)N(CC3CCC3)C2=O)cc1 |r,wU:9.26,12.15,(1.99,4.44,;3.32,3.67,;4.65,4.44,;4.65,5.98,;5.99,6.75,;7.32,5.98,;8.66,6.75,;9.99,5.98,;11.45,6.45,;12.36,5.21,;13.13,3.87,;14.67,3.87,;15.44,5.21,;14.67,6.54,;13.13,6.54,;16.21,6.54,;15.44,7.88,;17.75,6.54,;16.21,3.87,;15.44,2.54,;16.21,1.21,;17.75,1.21,;18.52,2.54,;20.06,2.54,;17.75,3.87,;11.45,3.96,;12.22,2.63,;11.14,1.54,;9.6,1.54,;9.6,-0,;11.14,-0,;9.99,4.44,;8.66,3.67,;7.32,4.44,;5.99,3.67,)|
CCCNC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:21.22,24.29,(-15.66,-5.27,;-14.57,-4.18,;-13.09,-4.57,;-12,-3.49,;-10.51,-3.88,;-10.11,-5.37,;-9.42,-2.8,;-9.82,-1.31,;-11.28,-.83,;-12.62,-1.6,;-11.28,.71,;-12.62,1.48,;-13.95,.71,;-15.29,1.48,;-16.62,.71,;-16.62,-.83,;-17.95,-1.6,;-19.29,-.83,;-15.29,-1.6,;-13.95,-.83,;-9.82,1.18,;-8.91,-.06,;-8.14,-1.4,;-6.6,-1.4,;-5.83,-.06,;-6.6,1.27,;-8.14,1.27,;-5.06,1.27,;-5.83,2.61,;-3.52,1.27,;-5.06,-1.4,;-5.83,-2.73,;-5.06,-4.06,;-3.52,-4.06,;-2.75,-2.73,;-3.52,-1.4,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-9.05,-2.42,;-8.28,-3.76,;-6.74,-3.76,;-9.05,-5.09,;-9.82,-6.42,;-11.36,-6.42,;-12.13,-5.09,;-13.04,-3.84,;-14.5,-4.32,;-15.84,-3.55,;-17.17,-4.32,;-17.17,-5.86,;-18.51,-6.63,;-19.84,-5.86,;-19.84,-4.32,;-18.51,-3.55,;-14.5,-5.86,;-15.84,-6.63,;-13.04,-6.34,;-12.27,-7.67,;-13.36,-8.76,;-14.9,-8.76,;-14.9,-10.3,;-13.36,-10.3,;-11.36,-3.76,;-9.82,-3.76,;-8.28,-6.42,;-9.05,-7.76,;-8.28,-9.09,;-6.74,-9.09,;-5.97,-7.76,;-6.74,-6.42,)|
COCCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:19.20,22.27,(11.24,-7.95,;10.84,-6.46,;11.93,-5.37,;11.53,-3.88,;12.62,-2.8,;12.22,-1.31,;10.76,-.83,;9.42,-1.6,;10.76,.71,;9.42,1.48,;8.09,.71,;6.76,1.48,;5.42,.71,;5.42,-.83,;4.09,-1.6,;2.75,-.83,;6.76,-1.6,;8.09,-.83,;12.22,1.18,;13.13,-.06,;13.9,-1.4,;15.44,-1.4,;16.21,-.06,;15.44,1.27,;13.9,1.27,;16.98,1.27,;16.21,2.61,;18.52,1.27,;16.98,-1.4,;16.21,-2.73,;16.98,-4.06,;18.52,-4.06,;19.29,-2.73,;18.52,-1.4,)|
COCCOCCOCCOCCOCCOCCOc1cccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:28.44,31.34,(-20.06,-14.39,;-18.57,-13.99,;-17.48,-15.08,;-16,-14.68,;-14.91,-15.77,;-13.42,-15.37,;-12.33,-16.46,;-10.84,-16.06,;-9.75,-17.15,;-8.27,-16.75,;-7.18,-17.84,;-5.69,-17.44,;-4.6,-18.53,;-3.11,-18.13,;-2.02,-19.22,;-.54,-18.82,;.55,-19.91,;2.04,-19.51,;3.13,-20.6,;4.62,-20.2,;5.71,-21.29,;5.31,-22.78,;6.4,-23.87,;7.88,-23.47,;8.28,-21.98,;9.77,-21.59,;10.86,-22.67,;12.4,-22.59,;12.95,-24.03,;13.35,-25.52,;14.83,-25.92,;15.92,-24.83,;15.52,-23.34,;14.04,-22.94,;17.01,-23.74,;16.61,-22.25,;18.5,-24.14,;16.32,-26.32,;15.23,-27.4,;15.63,-28.89,;17.12,-29.29,;18.21,-28.2,;17.81,-26.71,;11.75,-25,;12.15,-26.49,;10.82,-27.26,;9.33,-26.86,;8.93,-28.35,;10.42,-28.75,;10.46,-24.16,;8.97,-24.56,;7.19,-20.89,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(O)CCC3)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,-13.54,;-17.95,-14.31,;-16.62,-13.54,;-16.62,-12,;-15.29,-11.23,;-13.95,-12,;-12.62,-11.23,;-11.28,-12,;-9.82,-11.53,;-8.91,-12.77,;-8.14,-14.11,;-6.6,-14.11,;-5.83,-12.77,;-6.6,-11.44,;-8.14,-11.44,;-5.06,-11.44,;-5.83,-10.11,;-3.52,-11.44,;-5.06,-14.11,;-5.83,-15.44,;-5.06,-16.78,;-3.52,-16.78,;-2.75,-15.44,;-3.52,-14.11,;-9.82,-14.02,;-9.42,-15.51,;-10.51,-16.6,;-10.11,-18.08,;-11.28,-15.26,;-12.61,-16.03,;-11.84,-17.37,;-11.28,-13.54,;-12.62,-14.31,;-13.95,-13.54,;-15.29,-14.31,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccc(O)cc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.26,12.15,(-20.06,28.9,;-18.72,28.13,;-17.39,28.9,;-17.39,30.44,;-16.06,31.21,;-14.72,30.44,;-13.39,31.21,;-12.05,30.44,;-10.59,30.92,;-9.68,29.67,;-8.91,28.34,;-7.37,28.34,;-6.6,29.67,;-7.37,31.01,;-8.91,31.01,;-5.83,31.01,;-6.6,32.34,;-4.29,31.01,;-5.83,28.34,;-6.6,27.01,;-5.83,25.67,;-4.29,25.67,;-3.52,24.34,;-3.52,27.01,;-4.29,28.34,;-10.59,28.43,;-10.19,26.94,;-11.28,25.85,;-12.82,25.85,;-12.82,24.31,;-11.28,24.31,;-12.05,28.9,;-13.39,28.13,;-14.72,28.9,;-16.06,28.13,)|
COCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:18.19,21.26,(10.84,-19.17,;11.93,-18.08,;11.53,-16.6,;12.62,-15.51,;12.22,-14.02,;10.76,-13.54,;9.42,-14.31,;10.76,-12,;9.42,-11.23,;8.09,-12,;6.76,-11.23,;5.42,-12,;5.42,-13.54,;4.09,-14.31,;2.75,-13.54,;6.76,-14.31,;8.09,-13.54,;12.22,-11.53,;13.13,-12.77,;13.9,-14.11,;15.44,-14.11,;16.21,-12.77,;15.44,-11.44,;13.9,-11.44,;16.98,-11.44,;16.21,-10.11,;18.52,-11.44,;16.98,-14.11,;16.21,-15.44,;16.98,-16.78,;18.52,-16.78,;19.29,-15.44,;18.52,-14.11,)|
COc1cccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(O)CCC3)C2=O)c1 |r,wU:10.26,13.16,(2.21,32.85,;2.21,31.31,;3.55,30.54,;3.55,29,;4.88,28.23,;6.22,29,;6.22,30.54,;7.55,31.31,;8.88,30.54,;10.35,31.01,;11.25,29.77,;12.02,28.43,;13.56,28.43,;14.33,29.77,;13.56,31.1,;12.02,31.1,;15.1,31.1,;14.33,32.44,;16.64,31.1,;15.1,28.43,;14.33,27.1,;15.1,25.77,;16.64,25.77,;17.41,27.1,;16.64,28.43,;10.35,28.52,;10.75,27.04,;9.66,25.95,;10.99,25.18,;8.12,25.95,;8.12,24.41,;9.66,24.41,;8.88,29,;7.55,28.23,;4.88,31.31,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC#N)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,-25.16,;-17.95,-25.93,;-16.62,-25.16,;-16.62,-23.62,;-15.29,-22.85,;-13.95,-23.62,;-12.62,-22.85,;-11.28,-23.62,;-9.82,-23.15,;-8.91,-24.39,;-8.14,-25.73,;-6.6,-25.73,;-5.83,-24.39,;-6.6,-23.06,;-8.14,-23.06,;-5.06,-23.06,;-5.83,-21.73,;-3.52,-23.06,;-5.06,-25.73,;-5.83,-27.06,;-5.06,-28.4,;-3.52,-28.4,;-2.75,-27.06,;-3.52,-25.73,;-9.82,-25.64,;-9.42,-27.13,;-10.51,-28.22,;-11.6,-29.31,;-11.28,-25.16,;-12.62,-25.93,;-13.95,-25.16,;-15.29,-25.93,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCCC3)C2=O)cc1 |r,wU:9.25,12.15,(-20.06,17.9,;-18.72,17.13,;-17.39,17.9,;-17.39,19.44,;-16.06,20.21,;-14.72,19.44,;-13.39,20.21,;-12.05,19.44,;-10.59,19.92,;-9.68,18.67,;-8.91,17.34,;-7.37,17.34,;-6.6,18.67,;-7.37,20,;-8.91,20,;-5.83,20,;-6.6,21.34,;-4.29,20,;-5.83,17.34,;-6.6,16,;-5.83,14.67,;-4.29,14.67,;-3.52,16,;-4.29,17.34,;-10.59,17.42,;-10.19,15.94,;-11.28,14.85,;-12.8,15.09,;-13.5,13.72,;-12.41,12.63,;-11.04,13.33,;-12.05,17.9,;-13.39,17.13,;-14.72,17.9,;-16.06,17.13,)|
CCCCCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.21,23.28,(10.15,-33.37,;11.24,-32.28,;10.84,-30.79,;11.93,-29.7,;11.53,-28.22,;12.62,-27.13,;12.22,-25.64,;10.76,-25.16,;9.42,-25.93,;10.76,-23.62,;9.42,-22.85,;8.09,-23.62,;6.76,-22.85,;5.42,-23.62,;5.42,-25.16,;4.09,-25.93,;2.75,-25.16,;6.76,-25.93,;8.09,-25.16,;12.22,-23.15,;13.13,-24.39,;13.9,-25.73,;15.44,-25.73,;16.21,-24.39,;15.44,-23.06,;13.9,-23.06,;16.98,-23.06,;16.21,-21.73,;18.52,-23.06,;16.98,-25.73,;16.21,-27.06,;16.98,-28.4,;18.52,-28.4,;19.29,-27.06,;18.52,-25.73,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(C)(C)O)C2=O)cc1 |r,wU:9.25,12.15,(1.98,17.9,;3.32,17.13,;4.65,17.9,;4.65,19.44,;5.99,20.21,;7.32,19.44,;8.65,20.21,;9.99,19.44,;11.45,19.92,;12.36,18.67,;13.13,17.34,;14.67,17.34,;15.44,18.67,;14.67,20,;13.13,20,;16.21,20,;15.44,21.34,;17.75,20,;16.21,17.34,;15.44,16,;16.21,14.67,;17.75,14.67,;18.52,16,;17.75,17.34,;11.45,17.42,;11.85,15.94,;10.76,14.85,;11.16,13.36,;9.27,15.25,;9.67,13.76,;9.99,17.9,;8.65,17.13,;7.32,17.9,;5.99,17.13,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCOCC3)C2=O)cc1 |r,wU:9.25,12.15,(-20.44,29.94,;-19.11,29.17,;-17.77,29.94,;-17.77,31.48,;-16.44,32.25,;-15.11,31.48,;-13.77,32.25,;-12.44,31.48,;-10.97,31.95,;-10.07,30.71,;-9.3,29.37,;-7.76,29.37,;-6.99,30.71,;-7.76,32.04,;-9.3,32.04,;-6.22,32.04,;-6.99,33.38,;-4.68,32.04,;-6.22,29.37,;-6.99,28.04,;-6.22,26.71,;-4.68,26.71,;-3.91,28.04,;-4.68,29.37,;-10.97,29.46,;-10.58,27.97,;-11.67,26.89,;-13.15,27.28,;-14.24,26.19,;-13.84,24.71,;-12.36,24.31,;-11.27,25.4,;-12.44,29.94,;-13.77,29.17,;-15.11,29.94,;-16.44,29.17,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(C)(C)OC)C2=O)cc1 |r,wU:9.25,12.15,(-20.06,6.98,;-18.72,6.21,;-17.39,6.98,;-17.39,8.52,;-16.06,9.29,;-14.72,8.52,;-13.39,9.29,;-12.05,8.52,;-10.59,9,;-9.68,7.75,;-8.91,6.42,;-7.37,6.42,;-6.6,7.75,;-7.37,9.09,;-8.91,9.09,;-5.83,9.09,;-6.6,10.42,;-4.29,9.09,;-5.83,6.42,;-6.6,5.09,;-5.83,3.75,;-4.29,3.75,;-3.52,5.09,;-4.29,6.42,;-10.59,6.51,;-10.19,5.02,;-11.28,3.93,;-10.88,2.44,;-12.77,4.33,;-12.37,2.84,;-13.86,3.24,;-12.05,6.98,;-13.39,6.21,;-14.72,6.98,;-16.06,6.21,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCCCC3)C2=O)cc1 |r,wU:9.25,12.15,(1.6,29.94,;2.93,29.17,;4.27,29.94,;4.27,31.48,;5.6,32.25,;6.93,31.48,;8.27,32.25,;9.6,31.48,;11.07,31.95,;11.97,30.71,;12.74,29.37,;14.28,29.37,;15.05,30.71,;14.28,32.04,;12.74,32.04,;15.82,32.04,;15.05,33.38,;17.36,32.04,;15.82,29.37,;15.05,28.04,;15.82,26.71,;17.36,26.71,;18.13,28.04,;17.36,29.37,;11.07,29.46,;11.46,27.97,;10.38,26.89,;8.89,27.28,;7.8,26.19,;8.2,24.71,;9.69,24.31,;10.77,25.4,;9.6,29.94,;8.27,29.17,;6.93,29.94,;5.6,29.17,)|
CN[C@]1(CC[C@]2(CN(Cc3cccc(OC)c3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.20,2.1,(15.44,10.42,;16.21,9.09,;15.44,7.75,;14.67,6.42,;13.13,6.42,;12.36,7.75,;11.45,9,;9.99,8.52,;8.65,9.29,;7.32,8.52,;7.32,6.98,;5.99,6.21,;4.65,6.98,;4.65,8.52,;3.32,9.29,;1.98,8.52,;5.99,9.29,;9.99,6.98,;8.65,6.21,;11.45,6.51,;11.85,5.02,;10.76,3.93,;9.22,3.93,;9.22,2.39,;10.76,2.39,;13.13,9.09,;14.67,9.09,;16.21,6.42,;15.44,5.09,;16.21,3.75,;17.75,3.75,;18.52,5.09,;17.75,6.42,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(=O)NCC#N)C2=O)cc1 |r,wU:9.25,12.15,(-20.44,18.75,;-19.11,17.98,;-17.77,18.75,;-17.77,20.29,;-16.44,21.06,;-15.11,20.29,;-13.77,21.06,;-12.44,20.29,;-10.97,20.76,;-10.07,19.52,;-9.3,18.18,;-7.76,18.18,;-6.99,19.52,;-7.76,20.85,;-9.3,20.85,;-6.22,20.85,;-6.99,22.19,;-4.68,20.85,;-6.22,18.18,;-6.99,16.85,;-6.22,15.52,;-4.68,15.52,;-3.91,16.85,;-4.68,18.18,;-10.97,18.27,;-10.58,16.79,;-11.67,15.7,;-11.27,14.21,;-13.15,16.09,;-14.24,15.01,;-15.73,15.4,;-17.06,14.63,;-12.44,18.75,;-13.77,17.98,;-15.11,18.75,;-16.44,17.98,)|
CCN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:7.22,4.3,(-3.31,-.79,;-4.08,-2.13,;-5.62,-2.13,;-6.39,-.79,;-6.39,-3.46,;-7.16,-4.79,;-8.7,-4.79,;-9.47,-3.46,;-10.38,-2.21,;-11.84,-2.69,;-13.17,-1.92,;-14.51,-2.69,;-14.51,-4.23,;-15.84,-5,;-17.17,-4.23,;-17.17,-2.69,;-15.84,-1.92,;-18.51,-1.92,;-19.84,-1.15,;-11.84,-4.23,;-13.17,-5,;-10.38,-4.71,;-9.98,-6.19,;-11.07,-7.28,;-12.61,-7.28,;-12.61,-8.82,;-11.07,-8.82,;-8.7,-2.13,;-7.16,-2.13,;-5.62,-4.79,;-6.39,-6.13,;-5.62,-7.46,;-4.08,-7.46,;-3.31,-6.13,;-4.08,-4.79,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(Cc3cccnc3)C2=O)cc1 |r,wU:9.25,12.15,(1.6,18.75,;2.93,17.98,;4.27,18.75,;4.27,20.29,;5.6,21.06,;6.93,20.29,;8.27,21.06,;9.6,20.29,;11.07,20.76,;11.97,19.52,;12.74,18.18,;14.28,18.18,;15.05,19.52,;14.28,20.85,;12.74,20.85,;15.82,20.85,;15.05,22.19,;17.36,20.85,;15.82,18.18,;15.05,16.85,;15.82,15.52,;17.36,15.52,;18.13,16.85,;17.36,18.18,;11.07,18.27,;11.46,16.79,;10.38,15.7,;8.89,16.09,;7.8,15.01,;8.2,13.52,;9.69,13.12,;10.77,14.21,;9.6,18.75,;8.27,17.98,;6.93,18.75,;5.6,17.98,)|
CCCN(C)[C@]1(CC[C@]2(CN(Cc3cccc(OC)c3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:8.23,5.4,(20.06,-.8,;18.52,-.8,;17.75,-2.14,;16.21,-2.14,;15.44,-.8,;15.44,-3.47,;14.67,-4.81,;13.13,-4.81,;12.36,-3.47,;11.45,-2.23,;9.99,-2.7,;8.65,-1.93,;7.32,-2.7,;7.32,-4.24,;5.99,-5.01,;4.65,-4.24,;4.65,-2.7,;3.32,-1.93,;1.98,-2.7,;5.99,-1.93,;9.99,-4.24,;8.65,-5.01,;11.45,-4.72,;11.85,-6.21,;10.76,-7.29,;9.22,-7.29,;9.22,-8.83,;10.76,-8.83,;13.13,-2.14,;14.67,-2.14,;16.21,-4.81,;15.44,-6.14,;16.21,-7.47,;17.75,-7.47,;18.52,-6.14,;17.75,-4.81,)|
CCN(C)[C@]1(CC[C@]2(CN(Cc3cccc(OC)c3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:7.22,4.3,(-3.52,-12.02,;-4.29,-13.35,;-5.83,-13.35,;-6.6,-12.02,;-6.6,-14.68,;-7.37,-16.02,;-8.91,-16.02,;-9.68,-14.68,;-10.59,-13.44,;-12.05,-13.91,;-13.39,-13.14,;-14.72,-13.91,;-14.72,-15.45,;-16.06,-16.22,;-17.39,-15.45,;-17.39,-13.91,;-18.72,-13.14,;-20.06,-13.91,;-16.06,-13.14,;-12.05,-15.45,;-13.39,-16.22,;-10.59,-15.93,;-10.19,-17.42,;-11.28,-18.51,;-12.82,-18.51,;-12.82,-20.05,;-11.28,-20.05,;-8.91,-13.35,;-7.37,-13.35,;-5.83,-16.02,;-6.6,-17.35,;-5.83,-18.69,;-4.29,-18.69,;-3.52,-17.35,;-4.29,-16.02,)|
COCCNC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.23,25.30,(3.74,2.17,;5.22,1.77,;6.31,2.86,;7.8,2.46,;8.89,3.55,;10.38,3.15,;10.77,1.66,;11.46,4.24,;11.07,5.73,;9.6,6.2,;8.27,5.43,;9.6,7.74,;8.27,8.51,;6.93,7.74,;5.6,8.51,;4.27,7.74,;4.27,6.2,;2.93,5.43,;1.6,6.2,;5.6,5.43,;6.93,6.2,;11.07,8.22,;11.97,6.97,;12.74,5.64,;14.28,5.64,;15.05,6.97,;14.28,8.31,;12.74,8.31,;15.82,8.31,;15.05,9.64,;17.36,8.31,;15.82,5.64,;15.05,4.31,;15.82,2.97,;17.36,2.97,;18.13,4.31,;17.36,5.64,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC#N)C2=O)cc1 |r,wU:9.25,12.15,(1.98,-15.45,;3.32,-16.22,;4.65,-15.45,;4.65,-13.91,;5.99,-13.14,;7.32,-13.91,;8.65,-13.14,;9.99,-13.91,;11.45,-13.44,;12.36,-14.68,;13.13,-16.02,;14.67,-16.02,;15.44,-14.68,;14.67,-13.35,;13.13,-13.35,;16.21,-13.35,;15.44,-12.02,;17.75,-13.35,;16.21,-16.02,;15.44,-17.35,;16.21,-18.69,;17.75,-18.69,;18.52,-17.35,;17.75,-16.02,;11.45,-15.93,;11.85,-17.42,;10.76,-18.51,;11.16,-19.99,;11.56,-21.48,;9.99,-15.45,;8.65,-16.22,;7.32,-15.45,;5.99,-16.22,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-9.65,-1.19,;-8.88,-2.52,;-7.34,-2.52,;-9.65,-3.86,;-10.42,-5.19,;-11.96,-5.19,;-12.73,-3.86,;-13.63,-2.61,;-15.09,-3.09,;-16.43,-2.32,;-17.76,-3.09,;-19.1,-2.32,;-20.43,-3.09,;-20.43,-4.63,;-19.1,-5.4,;-17.76,-4.63,;-15.09,-4.63,;-16.43,-5.4,;-13.63,-5.1,;-13.23,-6.59,;-14.32,-7.68,;-15.86,-7.68,;-15.86,-9.22,;-14.32,-9.22,;-11.96,-2.52,;-10.42,-2.52,;-8.88,-5.19,;-9.65,-6.52,;-8.88,-7.86,;-7.34,-7.86,;-6.57,-6.52,;-7.34,-5.19,)|
CN[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.18,2.1,(-9.26,-24.82,;-8.49,-26.15,;-9.26,-27.49,;-10.03,-28.82,;-11.57,-28.82,;-12.34,-27.49,;-13.25,-26.24,;-14.71,-26.72,;-16.04,-25.95,;-17.38,-26.72,;-18.71,-25.95,;-20.04,-26.72,;-20.04,-28.26,;-18.71,-29.03,;-17.38,-28.26,;-14.71,-28.26,;-16.04,-29.03,;-13.25,-28.73,;-12.85,-30.22,;-13.94,-31.31,;-15.48,-31.31,;-15.48,-32.85,;-13.94,-32.85,;-11.57,-26.15,;-10.03,-26.15,;-7.93,-28.26,;-7.93,-29.8,;-6.59,-30.57,;-5.26,-29.8,;-5.26,-28.26,;-6.59,-27.49,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(=O)N3CCCC3)C2=O)cc1 |r,wU:9.25,12.15,(1.6,-4.63,;2.93,-5.4,;4.27,-4.63,;4.27,-3.09,;5.6,-2.32,;6.93,-3.09,;8.27,-2.32,;9.6,-3.09,;11.07,-2.61,;11.97,-3.86,;12.74,-5.19,;14.28,-5.19,;15.05,-3.86,;14.28,-2.52,;12.74,-2.52,;15.82,-2.52,;15.05,-1.19,;17.36,-2.52,;15.82,-5.19,;15.05,-6.52,;15.82,-7.86,;17.36,-7.86,;18.13,-6.52,;17.36,-5.19,;11.07,-5.1,;11.46,-6.59,;10.38,-7.68,;10.77,-9.17,;8.89,-7.28,;7.42,-6.8,;6.52,-8.05,;7.42,-9.3,;8.89,-8.82,;9.6,-4.63,;8.27,-5.4,;6.93,-4.63,;5.6,-5.4,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3COC3)C2=O)cc1 |r,wU:9.25,12.15,(1.98,-28.26,;3.32,-29.03,;4.65,-28.26,;4.65,-26.72,;5.99,-25.95,;7.32,-26.72,;8.65,-25.95,;9.99,-26.72,;11.45,-26.24,;12.36,-27.49,;13.13,-28.82,;14.67,-28.82,;15.44,-27.49,;14.67,-26.15,;13.13,-26.15,;16.21,-26.15,;15.44,-24.82,;17.75,-26.15,;16.21,-28.82,;15.44,-30.15,;16.21,-31.49,;17.75,-31.49,;18.52,-30.15,;17.75,-28.82,;11.45,-28.73,;11.85,-30.22,;10.76,-31.31,;9.22,-31.31,;9.22,-32.85,;10.76,-32.85,;9.99,-28.26,;8.65,-29.03,;7.32,-28.26,;5.99,-29.03,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(=O)N(C)C)C2=O)cc1 |r,wU:9.25,12.15,(-20.44,-14.85,;-19.11,-15.62,;-17.77,-14.85,;-17.77,-13.31,;-16.44,-12.54,;-15.11,-13.31,;-13.77,-12.54,;-12.44,-13.31,;-10.97,-12.84,;-10.07,-14.08,;-9.3,-15.42,;-7.76,-15.42,;-6.99,-14.08,;-7.76,-12.75,;-9.3,-12.75,;-6.22,-12.75,;-6.99,-11.42,;-4.68,-12.75,;-6.22,-15.42,;-6.99,-16.75,;-6.22,-18.09,;-4.68,-18.09,;-3.91,-16.75,;-4.68,-15.42,;-10.97,-15.33,;-10.58,-16.82,;-11.67,-17.91,;-11.27,-19.39,;-13.15,-17.51,;-14.62,-17.03,;-12.75,-19,;-12.44,-14.85,;-13.77,-15.62,;-15.11,-14.85,;-16.44,-15.62,)|
CCN(C)[C@]1(CC[C@]2(CN(Cc3cccnc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:7.20,4.3,(-5.59,31.37,;-6.36,30.04,;-7.9,30.04,;-8.67,31.37,;-8.67,28.71,;-9.44,27.37,;-10.98,27.37,;-11.75,28.71,;-12.66,29.95,;-14.12,29.48,;-15.46,30.25,;-16.79,29.48,;-16.79,27.94,;-18.12,27.17,;-19.46,27.94,;-19.46,29.48,;-18.12,30.25,;-14.12,27.94,;-15.46,27.17,;-12.66,27.46,;-12.26,25.97,;-13.35,24.88,;-14.89,24.88,;-14.89,23.34,;-13.35,23.34,;-10.98,30.04,;-9.44,30.04,;-7.9,27.37,;-8.67,26.04,;-7.9,24.7,;-6.36,24.7,;-5.59,26.04,;-6.36,27.37,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(=O)NC3(CC3)C#N)C2=O)cc1 |r,wU:9.25,12.15,(1.6,-14.85,;2.93,-15.62,;4.27,-14.85,;4.27,-13.31,;5.6,-12.54,;6.93,-13.31,;8.27,-12.54,;9.6,-13.31,;11.07,-12.84,;11.97,-14.08,;12.74,-15.42,;14.28,-15.42,;15.05,-14.08,;14.28,-12.75,;12.74,-12.75,;15.82,-12.75,;15.05,-11.42,;17.36,-12.75,;15.82,-15.42,;15.05,-16.75,;15.82,-18.09,;17.36,-18.09,;18.13,-16.75,;17.36,-15.42,;11.07,-15.33,;11.46,-16.82,;10.38,-17.91,;10.77,-19.39,;8.89,-17.51,;7.8,-18.6,;7.4,-20.08,;8.89,-19.69,;6.31,-18.2,;4.98,-18.97,;9.6,-14.85,;8.27,-15.62,;6.93,-14.85,;5.6,-15.62,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCO)C2=O)cc1 |r,wU:9.25,12.15,(2.37,27.94,;3.7,27.17,;5.04,27.94,;5.04,29.48,;6.37,30.25,;7.7,29.48,;9.04,30.25,;10.37,29.48,;11.84,29.95,;12.74,28.71,;13.51,27.37,;15.05,27.37,;15.82,28.71,;15.05,30.04,;13.51,30.04,;16.59,30.04,;15.82,31.37,;18.13,30.04,;16.59,27.37,;15.82,26.04,;16.59,24.7,;18.13,24.7,;18.9,26.04,;18.13,27.37,;11.84,27.46,;12.23,25.97,;11.15,24.88,;11.54,23.4,;10.37,27.94,;9.04,27.17,;7.7,27.94,;6.37,27.17,)|
CCCN(C)C(=O)CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.23,25.30,(-12.86,-33.38,;-12.46,-31.89,;-13.55,-30.8,;-13.15,-29.31,;-14.62,-28.84,;-11.67,-29.71,;-11.27,-31.2,;-10.58,-28.62,;-10.97,-27.13,;-12.44,-26.66,;-13.77,-27.43,;-12.44,-25.12,;-13.77,-24.35,;-15.11,-25.12,;-16.44,-24.35,;-17.77,-25.12,;-17.77,-26.66,;-19.11,-27.43,;-20.44,-26.66,;-16.44,-27.43,;-15.11,-26.66,;-10.97,-24.64,;-10.07,-25.89,;-9.3,-27.22,;-7.76,-27.22,;-6.99,-25.89,;-7.76,-24.55,;-9.3,-24.55,;-6.22,-24.55,;-6.99,-23.22,;-4.68,-24.55,;-6.22,-27.22,;-6.99,-28.55,;-6.22,-29.89,;-4.68,-29.89,;-3.91,-28.55,;-4.68,-27.22,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(C)(C)C)C2=O)cc1 |r,wU:9.25,12.15,(-19.67,17.16,;-18.34,16.39,;-17,17.16,;-17,18.7,;-15.67,19.47,;-14.34,18.7,;-13,19.47,;-11.67,18.7,;-10.2,19.17,;-9.3,17.93,;-8.53,16.59,;-6.99,16.59,;-6.22,17.93,;-6.99,19.26,;-8.53,19.26,;-5.45,19.26,;-6.22,20.59,;-3.91,19.26,;-5.45,16.59,;-6.22,15.26,;-5.45,13.92,;-3.91,13.92,;-3.14,15.26,;-3.91,16.59,;-10.2,16.68,;-9.81,15.19,;-10.9,14.1,;-10.5,12.62,;-12.38,14.5,;-11.98,13.01,;-11.67,17.16,;-13,16.39,;-14.34,17.16,;-15.67,16.39,)|
COCCC[C@@]1(CC[C@]2(CN(Cc3ccc(OC)cc3)C(=O)N2CC2CCC2)CC1)N(C)C |r,wU:8.23,5.33,wD:5.4,(20.44,-29.89,;19.67,-28.55,;18.13,-28.55,;17.36,-27.22,;15.82,-27.22,;15.05,-25.89,;14.28,-27.22,;12.74,-27.22,;11.97,-25.89,;11.07,-24.64,;9.6,-25.12,;8.27,-24.35,;6.93,-25.12,;5.6,-24.35,;4.27,-25.12,;4.27,-26.66,;2.93,-27.43,;1.6,-26.66,;5.6,-27.43,;6.93,-26.66,;9.6,-26.66,;8.27,-27.43,;11.07,-27.13,;11.46,-28.62,;10.38,-29.71,;8.84,-29.71,;8.84,-31.25,;10.38,-31.25,;12.74,-24.55,;14.28,-24.55,;15.82,-24.55,;15.05,-23.22,;17.36,-24.55,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC(C)C)C2=O)cc1 |r,wU:9.25,12.15,(2.37,17.16,;3.7,16.39,;5.04,17.16,;5.04,18.7,;6.37,19.47,;7.7,18.7,;9.04,19.47,;10.37,18.7,;11.84,19.17,;12.74,17.93,;13.51,16.59,;15.05,16.59,;15.82,17.93,;15.05,19.26,;13.51,19.26,;16.59,19.26,;15.82,20.59,;18.13,19.26,;16.59,16.59,;15.82,15.26,;16.59,13.92,;18.13,13.92,;18.9,15.26,;18.13,16.59,;11.84,16.68,;12.23,15.19,;11.15,14.1,;11.54,12.62,;10.46,11.53,;13.03,12.22,;10.37,17.16,;9.04,16.39,;7.7,17.16,;6.37,16.39,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCCO)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,26.46,;-17.95,25.69,;-16.62,26.46,;-16.62,28,;-15.29,28.77,;-13.95,28,;-12.62,28.77,;-11.28,28,;-9.82,28.48,;-8.91,27.23,;-8.14,25.9,;-6.6,25.9,;-5.83,27.23,;-6.6,28.56,;-8.14,28.56,;-5.06,28.56,;-5.83,29.9,;-3.52,28.56,;-5.06,25.9,;-5.83,24.56,;-5.06,23.23,;-3.52,23.23,;-2.75,24.56,;-3.52,25.9,;-9.82,25.98,;-9.42,24.5,;-10.51,23.41,;-10.11,21.92,;-11.2,20.83,;-11.28,26.46,;-12.62,25.69,;-13.95,26.46,;-15.29,25.69,)|
COCCCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.21,23.28,(10.15,18.25,;11.24,19.34,;10.84,20.83,;11.93,21.92,;11.53,23.41,;12.62,24.5,;12.22,25.98,;10.76,26.46,;9.42,25.69,;10.76,28,;9.42,28.77,;8.09,28,;6.76,28.77,;5.42,28,;5.42,26.46,;4.09,25.69,;2.75,26.46,;6.76,25.69,;8.09,26.46,;12.22,28.48,;13.13,27.23,;13.9,25.9,;15.44,25.9,;16.21,27.23,;15.44,28.56,;13.9,28.56,;16.98,28.56,;16.21,29.9,;18.52,28.56,;16.98,25.9,;16.21,24.56,;16.98,23.23,;18.52,23.23,;19.29,24.56,;18.52,25.9,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC(C)(C)C#N)C2=O)cc1 |r,wU:9.25,12.15,(2.87,-9.83,;2.87,-8.29,;4.2,-7.52,;4.2,-5.98,;5.54,-5.21,;6.87,-5.98,;8.2,-5.21,;9.54,-5.98,;11,-5.5,;11.91,-6.75,;12.68,-8.08,;14.22,-8.08,;14.99,-6.75,;14.22,-5.41,;12.68,-5.41,;15.76,-5.41,;14.99,-4.08,;17.3,-5.41,;15.76,-8.08,;14.99,-9.41,;15.76,-10.75,;17.3,-10.75,;18.07,-9.41,;17.3,-8.08,;11,-7.99,;11.4,-9.48,;10.31,-10.57,;9.22,-9.48,;8.98,-11.34,;10.71,-12.06,;11.11,-13.54,;9.54,-7.52,;8.2,-8.29,;6.87,-7.52,;5.54,-8.29,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(C)CCC3)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,12.46,;-17.95,11.69,;-16.62,12.46,;-16.62,14,;-15.29,14.77,;-13.95,14,;-12.62,14.77,;-11.28,14,;-9.82,14.48,;-8.91,13.23,;-8.14,11.9,;-6.6,11.9,;-5.83,13.23,;-6.6,14.57,;-8.14,14.57,;-5.06,14.57,;-5.83,15.9,;-3.52,14.57,;-5.06,11.9,;-5.83,10.56,;-5.06,9.23,;-3.52,9.23,;-2.75,10.56,;-3.52,11.9,;-9.82,11.99,;-9.42,10.5,;-10.51,9.41,;-9.18,8.64,;-12.05,9.41,;-12.05,7.87,;-10.51,7.87,;-11.28,12.46,;-12.62,11.69,;-13.95,12.46,;-15.29,11.69,)|
COC(=O)c1ccccc1CN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:25.27,28.34,(-7.56,-28.25,;-8.89,-27.48,;-8.89,-25.94,;-7.56,-25.17,;-10.23,-25.17,;-11.32,-26.26,;-12.8,-25.86,;-13.2,-24.37,;-12.11,-23.28,;-10.63,-23.68,;-9.54,-22.59,;-9.93,-21.1,;-11.4,-20.63,;-12.73,-21.4,;-11.4,-19.09,;-12.73,-18.32,;-14.07,-19.09,;-15.4,-18.32,;-16.73,-19.09,;-16.73,-20.63,;-18.07,-21.4,;-19.4,-20.63,;-15.4,-21.4,;-14.07,-20.63,;-9.93,-18.61,;-9.03,-19.86,;-8.26,-21.19,;-6.72,-21.19,;-5.95,-19.86,;-6.72,-18.52,;-8.26,-18.52,;-5.18,-18.52,;-5.95,-17.19,;-3.64,-18.52,;-5.18,-21.19,;-5.95,-22.52,;-5.18,-23.86,;-3.64,-23.86,;-2.87,-22.52,;-3.64,-21.19,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(O)CCCCC3)C2=O)cc1 |r,wU:9.25,12.15,(2.75,12.46,;4.09,11.69,;5.42,12.46,;5.42,14,;6.76,14.77,;8.09,14,;9.42,14.77,;10.76,14,;12.22,14.48,;13.13,13.23,;13.9,11.9,;15.44,11.9,;16.21,13.23,;15.44,14.57,;13.9,14.57,;16.98,14.57,;16.21,15.9,;18.52,14.57,;16.98,11.9,;16.21,10.56,;16.98,9.23,;18.52,9.23,;19.29,10.56,;18.52,11.9,;12.22,11.99,;12.62,10.5,;11.53,9.41,;12.86,8.64,;10.44,10.5,;8.95,10.1,;8.56,8.61,;9.64,7.52,;11.13,7.92,;10.76,12.46,;9.42,11.69,;8.09,12.46,;6.76,11.69,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(13.9,-17.19,;14.67,-18.52,;16.21,-18.52,;13.9,-19.86,;13.13,-21.19,;11.59,-21.19,;10.82,-19.86,;9.92,-18.61,;8.45,-19.09,;7.12,-18.32,;5.63,-18.71,;4.54,-17.63,;3.05,-18.02,;2.65,-19.51,;3.74,-20.6,;5.23,-20.2,;8.45,-20.63,;7.12,-21.4,;9.92,-21.1,;10.31,-22.59,;9.22,-23.68,;7.68,-23.68,;7.68,-25.22,;9.22,-25.22,;11.59,-18.52,;13.13,-18.52,;14.67,-21.19,;13.9,-22.52,;14.67,-23.86,;16.21,-23.86,;16.98,-22.52,;16.21,-21.19,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCCCC#N)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,1.41,;-17.95,.64,;-16.62,1.41,;-16.62,2.95,;-15.29,3.72,;-13.95,2.95,;-12.62,3.72,;-11.28,2.95,;-9.82,3.43,;-8.91,2.18,;-8.14,.85,;-6.6,.85,;-5.83,2.18,;-6.6,3.52,;-8.14,3.52,;-5.06,3.52,;-5.83,4.85,;-3.52,3.52,;-5.06,.85,;-5.83,-.48,;-5.06,-1.82,;-3.52,-1.82,;-2.75,-.48,;-3.52,.85,;-9.82,.94,;-9.42,-.55,;-10.51,-1.64,;-10.11,-3.13,;-11.2,-4.21,;-10.8,-5.7,;-10.4,-7.19,;-11.28,1.41,;-12.62,.64,;-13.95,1.41,;-15.29,.64,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccncc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.3,30.42,;-7.53,29.08,;-5.99,29.08,;-8.3,27.75,;-9.07,26.42,;-10.61,26.42,;-11.38,27.75,;-12.29,28.99,;-13.75,28.52,;-15.09,29.29,;-16.57,28.89,;-17.66,29.98,;-19.15,29.58,;-19.55,28.09,;-18.46,27,;-16.97,27.4,;-13.75,26.98,;-15.09,26.21,;-12.29,26.5,;-11.89,25.02,;-12.98,23.93,;-14.52,23.93,;-14.52,22.39,;-12.98,22.39,;-10.61,29.08,;-9.07,29.08,;-7.53,26.42,;-8.3,25.08,;-7.53,23.75,;-5.99,23.75,;-5.22,25.08,;-5.99,26.42,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCOC3)C2=O)cc1 |r,wU:9.25,12.15,(2.28,26.98,;3.61,26.21,;4.94,26.98,;4.94,28.52,;6.28,29.29,;7.61,28.52,;8.95,29.29,;10.28,28.52,;11.74,28.99,;12.65,27.75,;13.42,26.42,;14.96,26.42,;15.73,27.75,;14.96,29.08,;13.42,29.08,;16.5,29.08,;15.73,30.42,;18.04,29.08,;16.5,26.42,;15.73,25.08,;16.5,23.75,;18.04,23.75,;18.81,25.08,;18.04,26.42,;11.74,26.5,;12.14,25.02,;11.05,23.93,;9.53,24.17,;8.83,22.8,;9.92,21.71,;11.29,22.41,;10.28,26.98,;8.95,26.21,;7.61,26.98,;6.28,26.21,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)CCO)c3ccccc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.27,12.15,(-19.29,-13.86,;-17.95,-14.63,;-16.62,-13.86,;-16.62,-12.32,;-15.29,-11.55,;-13.95,-12.32,;-12.62,-11.55,;-11.28,-12.32,;-9.82,-11.84,;-8.91,-13.09,;-8.14,-14.42,;-6.6,-14.42,;-5.83,-13.09,;-6.6,-11.76,;-8.14,-11.76,;-5.06,-11.76,;-5.83,-10.42,;-3.52,-11.76,;-2.75,-10.42,;-1.21,-10.42,;-5.06,-14.42,;-5.83,-15.76,;-5.06,-17.09,;-3.52,-17.09,;-2.75,-15.76,;-3.52,-14.42,;-9.82,-14.34,;-9.42,-15.82,;-10.51,-16.91,;-12.05,-16.91,;-12.05,-18.45,;-10.51,-18.45,;-11.28,-13.86,;-12.62,-14.63,;-13.95,-13.86,;-15.29,-14.63,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ncccn3)C(=O)N2CC2CCOC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.97,18.62,;-8.2,17.29,;-6.66,17.29,;-8.97,15.95,;-9.74,14.62,;-11.28,14.62,;-12.05,15.95,;-12.95,17.2,;-14.42,16.72,;-15.75,17.49,;-17.08,16.72,;-18.42,17.49,;-19.75,16.72,;-19.75,15.18,;-18.42,14.41,;-17.08,15.18,;-14.42,15.18,;-15.75,14.41,;-12.95,14.71,;-12.55,13.22,;-13.64,12.13,;-15.16,12.37,;-15.86,11,;-14.77,9.91,;-13.4,10.61,;-11.28,17.29,;-9.74,17.29,;-8.2,14.62,;-8.97,13.29,;-8.2,11.95,;-6.66,11.95,;-5.89,13.29,;-6.66,14.62,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(CCC3)C#N)C2=O)cc1 |r,wU:9.25,12.15,(2.75,-13.64,;4.09,-14.41,;5.42,-13.64,;5.42,-12.1,;6.76,-11.33,;8.09,-12.1,;9.42,-11.33,;10.76,-12.1,;12.22,-11.63,;13.13,-12.87,;13.9,-14.21,;15.44,-14.21,;16.21,-12.87,;15.44,-11.54,;13.9,-11.54,;16.98,-11.54,;16.21,-10.21,;18.52,-11.54,;16.98,-14.21,;16.21,-15.54,;16.98,-16.87,;18.52,-16.87,;19.29,-15.54,;18.52,-14.21,;12.22,-14.12,;12.62,-15.61,;11.53,-16.7,;9.99,-16.7,;9.99,-18.24,;11.53,-18.24,;12.86,-17.47,;14.2,-18.24,;10.76,-13.64,;9.42,-14.41,;8.09,-13.64,;6.76,-14.41,)|
COc1ccc(cc1CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(Cc2cc(ccc2OC)C#N)C1=O)C#N |r,wU:11.28,14.18,(7.54,11.48,;7.94,12.97,;6.85,14.05,;5.36,13.66,;4.27,14.74,;4.67,16.23,;6.16,16.63,;7.25,15.54,;8.73,15.94,;10.45,14.56,;11.91,15.04,;12.82,13.79,;13.59,12.46,;15.13,12.46,;15.9,13.79,;15.13,15.13,;13.59,15.13,;16.67,15.13,;15.9,16.46,;18.21,15.13,;16.67,12.46,;15.9,11.13,;16.67,9.79,;18.21,9.79,;18.98,11.13,;18.21,12.46,;11.91,12.55,;12.31,11.06,;11.22,9.97,;9.73,10.37,;8.65,9.28,;9.04,7.79,;10.53,7.39,;11.62,8.48,;13.11,8.08,;14.2,9.17,;7.16,9.68,;5.67,10.08,;10.45,13.02,;9.11,12.25,;3.58,17.32,;2.49,18.41,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(O)CCCC3)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,-24.68,;-17.95,-25.45,;-16.62,-24.68,;-16.62,-23.14,;-15.29,-22.37,;-13.95,-23.14,;-12.62,-22.37,;-11.28,-23.14,;-9.82,-22.66,;-8.91,-23.91,;-8.14,-25.24,;-6.6,-25.24,;-5.83,-23.91,;-6.6,-22.58,;-8.14,-22.58,;-5.06,-22.58,;-5.83,-21.24,;-3.52,-22.58,;-5.06,-25.24,;-5.83,-26.58,;-5.06,-27.91,;-3.52,-27.91,;-2.75,-26.58,;-3.52,-25.24,;-9.82,-25.16,;-9.42,-26.64,;-10.51,-27.73,;-9.18,-28.5,;-12,-27.33,;-12.84,-28.63,;-11.87,-29.82,;-10.43,-29.27,;-11.28,-24.68,;-12.62,-25.45,;-13.95,-24.68,;-15.29,-25.45,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC(C)(C)O)C2=O)cc1 |r,wU:9.25,12.15,(-19.76,.99,;-18.43,.22,;-17.1,.99,;-17.1,2.53,;-15.76,3.3,;-14.43,2.53,;-13.1,3.3,;-11.76,2.53,;-10.3,3.01,;-9.39,1.76,;-8.62,.43,;-7.08,.43,;-6.31,1.76,;-7.08,3.1,;-8.62,3.1,;-5.54,3.1,;-6.31,4.43,;-4,3.1,;-5.54,.43,;-6.31,-.91,;-5.54,-2.24,;-4,-2.24,;-3.23,-.91,;-4,.43,;-10.3,.52,;-9.9,-.97,;-10.99,-2.06,;-10.59,-3.55,;-11.68,-4.64,;-9.1,-3.95,;-10.19,-5.04,;-11.76,.99,;-13.1,.22,;-14.43,.99,;-15.76,.22,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3Br)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(13.55,-21.87,;14.32,-23.2,;15.86,-23.2,;13.55,-24.53,;12.78,-25.87,;11.24,-25.87,;10.47,-24.53,;9.57,-23.29,;8.1,-23.76,;6.77,-22.99,;5.43,-23.76,;5.43,-25.3,;4.1,-26.07,;2.77,-25.3,;2.77,-23.76,;4.1,-22.99,;4.1,-21.45,;8.1,-25.3,;6.77,-26.07,;9.57,-25.78,;9.96,-27.27,;8.88,-28.36,;7.34,-28.36,;7.34,-29.9,;8.88,-29.9,;11.24,-23.2,;12.78,-23.2,;14.32,-25.87,;13.55,-27.2,;14.32,-28.54,;15.86,-28.54,;16.63,-27.2,;15.86,-25.87,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC(C)(C)OC)C2=O)cc1 |r,wU:9.25,12.15,(2.28,.99,;3.61,.22,;4.94,.99,;4.94,2.53,;6.28,3.3,;7.61,2.53,;8.95,3.3,;10.28,2.53,;11.74,3.01,;12.65,1.76,;13.42,.43,;14.96,.43,;15.73,1.76,;14.96,3.1,;13.42,3.1,;16.5,3.1,;15.73,4.43,;18.04,3.1,;16.5,.43,;15.73,-.91,;16.5,-2.24,;18.04,-2.24,;18.81,-.91,;18.04,.43,;11.74,.52,;12.14,-.97,;11.05,-2.06,;11.45,-3.55,;10.36,-4.64,;12.94,-3.95,;11.85,-5.04,;13.34,-5.43,;10.28,.99,;8.95,.22,;7.61,.99,;6.28,.22,)|
CNC(=O)CCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.21,23.28,(-10.8,18.27,;-11.2,19.76,;-10.11,20.85,;-8.62,20.45,;-10.51,22.34,;-9.42,23.43,;-9.82,24.91,;-11.28,25.39,;-12.62,24.62,;-11.28,26.93,;-12.62,27.7,;-13.95,26.93,;-15.29,27.7,;-16.62,26.93,;-16.62,25.39,;-17.95,24.62,;-19.29,25.39,;-15.29,24.62,;-13.95,25.39,;-9.82,27.41,;-8.91,26.16,;-8.14,24.83,;-6.6,24.83,;-5.83,26.16,;-6.6,27.49,;-8.14,27.49,;-5.06,27.49,;-5.83,28.83,;-3.52,27.49,;-5.06,24.83,;-5.83,23.49,;-5.06,22.16,;-3.52,22.16,;-2.75,23.49,;-3.52,24.83,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-8.02,-9.3,;-7.25,-10.64,;-5.71,-10.64,;-8.02,-11.97,;-8.79,-13.31,;-10.33,-13.31,;-11.1,-11.97,;-12.01,-10.73,;-13.47,-11.2,;-14.81,-10.43,;-16.14,-11.2,;-16.14,-12.74,;-17.48,-13.51,;-18.81,-12.74,;-18.81,-11.2,;-17.48,-10.43,;-17.48,-8.89,;-18.81,-8.12,;-16.14,-8.12,;-13.47,-12.74,;-14.81,-13.51,;-12.01,-13.22,;-11.61,-14.71,;-12.7,-15.79,;-11.37,-16.56,;-14.24,-15.79,;-14.24,-17.33,;-12.7,-17.33,;-10.33,-10.64,;-8.79,-10.64,;-7.25,-13.31,;-8.02,-14.64,;-7.25,-15.97,;-5.71,-15.97,;-4.94,-14.64,;-5.71,-13.31,)|
CCCNC(=O)CCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:22.23,25.30,(10.55,15.7,;10.15,17.19,;11.24,18.27,;10.84,19.76,;11.93,20.85,;13.42,20.45,;11.53,22.34,;12.62,23.43,;12.22,24.91,;10.76,25.39,;9.42,24.62,;10.76,26.93,;9.42,27.7,;8.09,26.93,;6.76,27.7,;5.42,26.93,;5.42,25.39,;4.09,24.62,;2.75,25.39,;6.76,24.62,;8.09,25.39,;12.22,27.41,;13.13,26.16,;13.9,24.83,;15.44,24.83,;16.21,26.16,;15.44,27.49,;13.9,27.49,;16.98,27.49,;16.21,28.83,;18.52,27.49,;16.98,24.83,;16.21,23.49,;16.98,22.16,;18.52,22.16,;19.29,23.49,;18.52,24.83,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C(N)=O)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(16.68,-8.53,;17.45,-9.87,;18.99,-9.87,;16.68,-11.2,;15.91,-12.54,;14.37,-12.54,;13.6,-11.2,;12.7,-9.96,;11.23,-10.43,;9.9,-9.66,;8.57,-10.43,;8.57,-11.97,;7.23,-12.74,;5.9,-11.97,;5.9,-10.43,;7.23,-9.66,;4.57,-9.66,;3.23,-10.43,;4.57,-8.12,;11.23,-11.97,;9.9,-12.74,;12.7,-12.45,;13.1,-13.94,;12.01,-15.02,;13.34,-15.79,;10.47,-15.02,;10.47,-16.56,;12.01,-16.56,;14.37,-9.87,;15.91,-9.87,;17.45,-12.54,;16.68,-13.87,;17.45,-15.2,;18.99,-15.2,;19.76,-13.87,;18.99,-12.54,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(F)CCC3)C2=O)cc1 |r,wU:9.25,12.15,(-19.29,9.4,;-17.95,8.63,;-16.62,9.4,;-16.62,10.94,;-15.29,11.71,;-13.95,10.94,;-12.62,11.71,;-11.28,10.94,;-9.82,11.42,;-8.91,10.17,;-8.14,8.84,;-6.6,8.84,;-5.83,10.17,;-6.6,11.51,;-8.14,11.51,;-5.06,11.51,;-5.83,12.84,;-3.52,11.51,;-5.06,8.84,;-5.83,7.51,;-5.06,6.17,;-3.52,6.17,;-2.75,7.51,;-3.52,8.84,;-9.82,8.93,;-9.42,7.44,;-10.51,6.35,;-9.18,5.58,;-12.05,6.35,;-12.05,4.81,;-10.51,4.81,;-11.28,9.4,;-12.62,8.63,;-13.95,9.4,;-15.29,8.63,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCS(C)(=O)=O)C2=O)cc1 |r,wU:9.25,12.15,(-19.75,-24.95,;-19.35,-23.46,;-17.87,-23.07,;-17.47,-21.58,;-15.98,-21.18,;-14.89,-22.27,;-13.4,-21.87,;-11.69,-23.25,;-10.22,-22.77,;-9.32,-24.02,;-8.55,-25.35,;-7.01,-25.35,;-6.24,-24.02,;-7.01,-22.68,;-8.55,-22.68,;-4.91,-23.25,;-3.57,-24.02,;-4.91,-21.71,;-5.47,-25.35,;-6.24,-26.68,;-5.47,-28.02,;-3.93,-28.02,;-3.16,-26.68,;-3.93,-25.35,;-10.22,-25.26,;-9.83,-26.75,;-10.92,-27.84,;-10.52,-29.33,;-11.61,-30.42,;-9.18,-28.56,;-9.18,-30.1,;-11.69,-24.79,;-13.02,-25.56,;-15.29,-23.76,;-16.78,-24.15,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC3CCCCC3)C2=O)cc1 |r,wU:9.25,12.15,(2.75,9.4,;4.09,8.63,;5.42,9.4,;5.42,10.94,;6.76,11.71,;8.09,10.94,;9.42,11.71,;10.76,10.94,;12.22,11.42,;13.13,10.17,;13.9,8.84,;15.44,8.84,;16.21,10.17,;15.44,11.51,;13.9,11.51,;16.98,11.51,;16.21,12.84,;18.52,11.51,;16.98,8.84,;16.21,7.51,;16.98,6.17,;18.52,6.17,;19.29,7.51,;18.52,8.84,;12.22,8.93,;12.62,7.44,;11.53,6.35,;11.93,4.86,;10.84,3.78,;11.24,2.29,;12.73,1.89,;13.82,2.98,;13.42,4.47,;10.76,9.4,;9.42,8.63,;8.09,9.4,;6.76,8.63,)|
CN[C@]1(CC[C@]2(CN(Cc3ccc(OC)cc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.20,2.1,(16.49,-21.35,;17.26,-22.68,;16.49,-24.02,;15.72,-25.35,;14.18,-25.35,;13.41,-24.02,;12.5,-22.77,;11.04,-23.25,;9.32,-21.87,;7.83,-22.27,;6.74,-21.18,;5.26,-21.58,;4.86,-23.07,;3.37,-23.46,;2.28,-22.38,;5.95,-24.15,;7.44,-23.76,;11.04,-24.79,;9.7,-25.56,;12.5,-25.26,;12.9,-26.75,;11.81,-27.84,;13.14,-28.61,;10.27,-27.84,;10.27,-29.38,;11.81,-29.38,;14.18,-22.68,;15.72,-22.68,;17.26,-25.35,;16.49,-26.68,;17.26,-28.02,;18.8,-28.02,;19.57,-26.68,;18.8,-25.35,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-5.62,-.45,;-4.85,-1.78,;-3.31,-1.78,;-5.62,-3.12,;-6.39,-4.45,;-7.93,-4.45,;-8.7,-3.12,;-9.61,-1.87,;-11.07,-2.35,;-12.4,-1.58,;-13.74,-2.35,;-13.74,-3.89,;-15.07,-4.66,;-16.4,-3.89,;-16.4,-2.35,;-15.07,-1.58,;-17.74,-1.58,;-19.07,-.81,;-11.07,-3.89,;-12.4,-4.66,;-9.61,-4.36,;-9.21,-5.85,;-10.3,-6.94,;-11.84,-6.94,;-11.84,-8.48,;-10.3,-8.48,;-7.93,-1.78,;-6.39,-1.78,;-4.85,-4.45,;-5.62,-5.79,;-4.85,-7.12,;-3.31,-7.12,;-2.54,-5.79,;-3.31,-4.45,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCCO3)C2=O)cc1 |r,w:25.27,wU:9.25,12.15,(-19.32,28.29,;-18.23,27.2,;-16.74,27.6,;-16.35,29.09,;-14.86,29.49,;-13.77,28.4,;-12.28,28.8,;-11.19,27.71,;-9.73,28.18,;-8.82,26.94,;-8.05,25.6,;-6.51,25.6,;-5.74,26.94,;-6.51,28.27,;-8.05,28.27,;-4.97,28.27,;-5.74,29.61,;-3.43,28.27,;-4.97,25.6,;-5.74,24.27,;-4.97,22.94,;-3.43,22.94,;-2.66,24.27,;-3.43,25.6,;-9.73,25.69,;-9.33,24.2,;-10.42,23.12,;-11.94,23.36,;-12.64,21.98,;-11.55,20.9,;-10.18,21.59,;-11.19,26.17,;-12.53,25.4,;-14.17,26.91,;-15.65,26.51,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(C)C2=O)cc1 |r,wU:9.25,12.15,(2.75,-3.89,;4.09,-4.66,;5.42,-3.89,;5.42,-2.35,;6.76,-1.58,;8.09,-2.35,;9.42,-1.58,;10.76,-2.35,;12.22,-1.87,;13.13,-3.12,;13.9,-4.45,;15.44,-4.45,;16.21,-3.12,;15.44,-1.78,;13.9,-1.78,;16.98,-1.78,;16.21,-.45,;18.52,-1.78,;16.98,-4.45,;16.21,-5.79,;16.98,-7.12,;18.52,-7.12,;19.29,-5.79,;18.52,-4.45,;12.22,-4.36,;12.62,-5.85,;10.76,-3.89,;9.42,-4.66,;8.09,-3.89,;6.76,-4.66,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.19,3.2,(14.36,29.42,;15.13,28.09,;16.67,28.09,;14.36,26.75,;13.59,25.42,;12.05,25.42,;11.28,26.75,;10.37,28,;8.91,27.52,;7.19,28.9,;5.71,28.5,;4.62,29.59,;3.13,29.19,;2.73,27.7,;3.82,26.62,;5.31,27.01,;8.91,25.98,;7.57,25.21,;10.37,25.51,;12.05,28.09,;13.59,28.09,;15.13,25.42,;14.36,24.08,;15.13,22.75,;16.67,22.75,;17.44,24.08,;16.67,25.42,)|
COCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)N(Cc2ccc(OC)cc2)CC11CCC(CC1)(N(C)C)c1ccccc1 |(-19.29,-22.29,;-17.95,-21.52,;-16.62,-22.29,;-15.29,-21.52,;-13.95,-22.29,;-12.62,-21.52,;-11.28,-22.29,;-9.95,-21.52,;-8.62,-22.29,;-7.28,-21.52,;-5.95,-22.29,;-4.62,-21.52,;-3.28,-22.29,;-1.95,-21.52,;-.62,-22.29,;.72,-21.52,;2.05,-22.29,;3.39,-21.52,;4.72,-22.29,;6.05,-21.52,;7.39,-22.29,;8.72,-21.52,;10.05,-22.29,;11.39,-21.52,;12.72,-22.29,;14.06,-21.52,;14.22,-19.99,;13.13,-18.9,;15.72,-19.67,;16.12,-18.18,;15.03,-17.1,;15.43,-15.61,;14.34,-14.52,;12.85,-14.92,;11.77,-13.83,;12.16,-12.34,;12.46,-16.41,;13.54,-17.49,;16.49,-21.01,;15.46,-22.15,;14.32,-23.18,;14.64,-24.69,;16.1,-25.16,;17.25,-24.13,;16.93,-22.63,;17.59,-25.56,;18.68,-24.47,;17.99,-27.05,;15.01,-26.25,;13.53,-25.85,;12.44,-26.94,;12.84,-28.43,;14.32,-28.83,;15.41,-27.74,)|
CCN1C(=O)N(Cc2ccccc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:14.15,17.22,(-13.2,10.37,;-12.12,11.46,;-12.51,12.95,;-13.98,13.42,;-15.31,12.65,;-13.98,14.96,;-15.31,15.73,;-16.65,14.96,;-17.98,15.73,;-19.31,14.96,;-19.31,13.42,;-17.98,12.65,;-16.65,13.42,;-12.51,15.44,;-11.61,14.19,;-10.84,12.86,;-9.3,12.86,;-8.53,14.19,;-9.3,15.53,;-10.84,15.53,;-7.76,15.53,;-8.53,16.86,;-6.22,15.53,;-7.76,12.86,;-8.53,11.52,;-7.76,10.19,;-6.22,10.19,;-5.45,11.52,;-6.22,12.86,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CCC3CCOCC3)C2=O)cc1 |r,wU:9.25,12.15,(-21.22,26.44,;-19.89,25.67,;-18.56,26.44,;-18.56,27.98,;-17.22,28.75,;-15.89,27.98,;-14.56,28.75,;-13.22,27.98,;-11.76,28.45,;-10.85,27.21,;-10.08,25.87,;-8.54,25.87,;-7.77,27.21,;-8.54,28.54,;-10.08,28.54,;-7,28.54,;-7.77,29.87,;-5.46,28.54,;-7,25.87,;-7.77,24.54,;-7,23.21,;-5.46,23.21,;-4.69,24.54,;-5.46,25.87,;-11.76,25.96,;-11.36,24.47,;-12.45,23.39,;-12.05,21.9,;-13.14,20.81,;-12.74,19.32,;-11.25,18.92,;-10.16,20.01,;-10.56,21.5,;-13.22,26.44,;-14.56,25.67,;-15.89,26.44,;-17.22,25.67,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(cc3)C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(14.48,29.87,;15.25,28.54,;16.79,28.54,;14.48,27.21,;13.71,25.87,;12.17,25.87,;11.4,27.21,;10.5,28.45,;9.03,27.98,;7.7,28.75,;6.37,27.98,;5.03,28.75,;3.7,27.98,;3.7,26.44,;5.03,25.67,;6.37,26.44,;2.37,25.67,;1.03,24.9,;9.03,26.44,;7.7,25.67,;10.5,25.96,;10.9,24.47,;9.81,23.39,;8.27,23.39,;8.27,21.85,;9.81,21.85,;12.17,28.54,;13.71,28.54,;15.25,25.87,;14.48,24.54,;15.25,23.21,;16.79,23.21,;17.56,24.54,;16.79,25.87,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(C[C@@H](C)O)C2=O)cc1 |r,wU:9.25,12.15,wD:26.29,(-19.31,.51,;-18.92,2,;-17.43,2.39,;-17.03,3.88,;-15.54,4.28,;-14.45,3.19,;-12.97,3.59,;-11.25,2.21,;-9.79,2.69,;-8.88,1.44,;-8.11,.11,;-6.57,.11,;-5.8,1.44,;-6.57,2.78,;-8.11,2.78,;-4.47,2.21,;-3.13,1.44,;-4.47,3.75,;-5.03,.11,;-5.8,-1.22,;-5.03,-2.56,;-3.49,-2.56,;-2.72,-1.22,;-3.49,.11,;-9.79,.2,;-9.39,-1.29,;-10.48,-2.38,;-12.02,-2.38,;-10.08,-3.87,;-11.25,.67,;-12.58,-.1,;-14.85,1.7,;-16.34,1.31,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(nc3)C(F)(F)F)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.61,15.44,;-6.84,14.1,;-5.3,14.1,;-7.61,12.77,;-8.38,11.44,;-9.92,11.44,;-10.69,12.77,;-11.6,14.02,;-13.06,13.54,;-14.39,14.31,;-15.73,13.54,;-17.06,14.31,;-18.39,13.54,;-18.39,12,;-17.06,11.23,;-15.73,12,;-19.73,11.23,;-21.06,10.46,;-19.73,9.69,;-21.06,12,;-13.06,12,;-14.39,11.23,;-11.6,11.52,;-11.2,10.04,;-12.29,8.95,;-13.83,8.95,;-13.83,7.41,;-12.29,7.41,;-9.92,14.1,;-8.38,14.1,;-6.84,11.44,;-7.61,10.1,;-6.84,8.77,;-5.3,8.77,;-4.53,10.1,;-5.3,11.44,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(C[C@H](C)O)C2=O)cc1 |r,wU:9.25,26.29,12.15,(2.73,.51,;3.13,2,;4.61,2.39,;5.01,3.88,;6.5,4.28,;7.59,3.19,;9.08,3.59,;10.79,2.21,;12.26,2.69,;13.16,1.44,;13.93,.11,;15.47,.11,;16.24,1.44,;15.47,2.78,;13.93,2.78,;17.57,2.21,;18.91,1.44,;17.57,3.75,;17.01,.11,;16.24,-1.22,;17.01,-2.56,;18.55,-2.56,;19.32,-1.22,;18.55,.11,;12.26,.2,;12.65,-1.29,;11.56,-2.38,;10.02,-2.38,;11.96,-3.87,;10.79,.67,;9.46,-.1,;7.19,1.7,;5.7,1.31,)|
COCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cc1 |r,wU:33.49,36.39,(-23.68,5.04,;-22.59,3.95,;-21.1,4.35,;-20.01,3.26,;-18.52,3.66,;-17.43,2.57,;-15.95,2.97,;-14.86,1.88,;-13.37,2.28,;-12.28,1.19,;-10.79,1.59,;-9.71,.5,;-8.22,.9,;-7.13,-.19,;-5.64,.21,;-4.55,-.88,;-3.06,-.48,;-1.98,-1.57,;-.49,-1.17,;.6,-2.26,;2.09,-1.86,;3.18,-2.95,;4.66,-2.55,;5.75,-3.64,;7.24,-3.24,;8.33,-4.33,;9.82,-3.93,;9.82,-2.39,;11.15,-1.62,;12.48,-2.39,;13.82,-1.62,;15.15,-2.39,;16.62,-1.92,;17.52,-3.16,;18.29,-4.5,;19.83,-4.5,;20.6,-3.16,;19.83,-1.83,;18.29,-1.83,;21.37,-1.83,;20.6,-.5,;22.91,-1.83,;21.37,-4.5,;20.6,-5.83,;21.37,-7.17,;22.91,-7.17,;23.68,-5.83,;22.91,-4.5,;16.62,-4.41,;17.02,-5.9,;15.93,-6.99,;14.39,-6.99,;14.39,-8.53,;15.93,-8.53,;15.15,-3.93,;13.82,-4.7,;12.48,-3.93,;11.15,-4.7,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCOC3)C2=O)cc1 |r,w:25.27,wU:9.25,12.15,(-19.31,-10.69,;-18.92,-9.2,;-17.43,-8.8,;-17.03,-7.31,;-15.54,-6.91,;-14.45,-8,;-12.97,-7.61,;-11.88,-8.69,;-10.41,-8.22,;-9.51,-9.46,;-8.74,-10.8,;-7.2,-10.8,;-6.43,-9.46,;-7.2,-8.13,;-8.74,-8.13,;-5.09,-8.69,;-5.09,-7.15,;-3.76,-9.46,;-5.66,-10.8,;-6.43,-12.13,;-5.66,-13.47,;-4.12,-13.47,;-3.35,-12.13,;-4.12,-10.8,;-10.41,-10.71,;-10.01,-12.2,;-11.1,-13.29,;-12.64,-13.3,;-13.11,-14.77,;-11.85,-15.66,;-10.62,-14.75,;-11.88,-10.23,;-13.21,-11,;-14.85,-9.49,;-16.34,-9.89,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(-6.82,-10.71,;-6.05,-12.04,;-4.51,-12.04,;-6.82,-13.38,;-7.59,-14.71,;-9.13,-14.71,;-9.9,-13.38,;-10.8,-12.13,;-12.27,-12.61,;-13.6,-11.84,;-14.93,-12.61,;-14.93,-14.15,;-16.27,-14.92,;-17.6,-14.15,;-17.6,-12.61,;-16.27,-11.84,;-18.94,-11.84,;-20.27,-12.61,;-18.94,-10.3,;-12.27,-14.15,;-13.6,-14.92,;-10.8,-14.62,;-10.4,-16.11,;-11.49,-17.2,;-13.03,-17.2,;-13.03,-18.74,;-11.49,-18.74,;-9.13,-12.04,;-7.59,-12.04,;-6.05,-14.71,;-6.82,-16.04,;-6.05,-17.38,;-4.51,-17.38,;-3.74,-16.04,;-4.51,-14.71,)|
CCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:16.17,19.24,(10.39,-13.39,;11.48,-12.3,;11.08,-10.81,;9.61,-10.34,;8.28,-11.11,;9.61,-8.8,;8.28,-8.03,;6.95,-8.8,;5.61,-8.03,;4.28,-8.8,;4.28,-10.34,;2.95,-11.11,;2.95,-12.65,;5.61,-11.11,;6.95,-10.34,;11.08,-8.32,;11.98,-9.57,;12.75,-10.9,;14.29,-10.9,;15.06,-9.57,;14.29,-8.23,;12.75,-8.23,;15.83,-8.23,;15.06,-6.9,;17.37,-8.23,;15.83,-10.9,;15.06,-12.23,;15.83,-13.57,;17.37,-13.57,;18.14,-12.23,;17.37,-10.9,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccc(O)cc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(13.65,-10.08,;14.42,-11.41,;15.96,-11.41,;13.65,-12.75,;12.88,-14.08,;11.34,-14.08,;10.57,-12.75,;9.67,-11.5,;8.2,-11.98,;6.87,-11.21,;5.54,-11.98,;4.2,-11.21,;2.87,-11.98,;2.87,-13.52,;1.54,-14.29,;4.2,-14.29,;5.54,-13.52,;8.2,-13.52,;6.87,-14.29,;9.67,-13.99,;10.07,-15.48,;8.98,-16.57,;7.44,-16.57,;7.44,-18.11,;8.98,-18.11,;11.34,-11.41,;12.88,-11.41,;14.42,-14.08,;13.65,-15.41,;14.42,-16.75,;15.96,-16.75,;16.73,-15.41,;15.96,-14.08,)|
COc1ccc(CN2C[C@]3(CC[C@](N)(CC3)c3ccccc3)N(CC3(O)CCC3)C2=O)cc1 |r,wU:9.23,12.12,(-19.32,-20.31,;-18.23,-21.4,;-16.74,-21,;-16.35,-19.52,;-14.86,-19.12,;-13.77,-20.21,;-12.28,-19.81,;-11.19,-20.9,;-9.73,-20.42,;-8.82,-21.67,;-8.05,-23,;-6.51,-23,;-5.74,-21.67,;-4.97,-20.33,;-6.51,-20.33,;-8.05,-20.33,;-4.97,-23,;-5.74,-24.33,;-4.97,-25.67,;-3.43,-25.67,;-2.66,-24.33,;-3.43,-23,;-9.73,-22.91,;-9.33,-24.4,;-10.42,-25.49,;-9.08,-26.26,;-11.96,-25.49,;-11.96,-27.03,;-10.42,-27.03,;-11.19,-22.44,;-12.53,-23.21,;-14.17,-21.69,;-15.65,-22.09,)|
CCN(C)[C@]1(CC[C@]2(CN(Cc3ccc(OC)cc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:7.22,4.3,(-4.69,-21.85,;-5.46,-23.18,;-7,-23.18,;-7.77,-21.85,;-7.77,-24.51,;-8.54,-25.85,;-10.08,-25.85,;-10.85,-24.51,;-11.76,-23.27,;-13.22,-23.74,;-14.56,-22.97,;-15.89,-23.74,;-17.22,-22.97,;-18.56,-23.74,;-18.56,-25.28,;-19.89,-26.05,;-21.22,-25.28,;-17.22,-26.05,;-15.89,-25.28,;-13.22,-25.28,;-14.56,-26.05,;-11.76,-25.76,;-11.36,-27.25,;-12.45,-28.33,;-13.99,-28.33,;-13.99,-29.87,;-12.45,-29.87,;-10.08,-23.18,;-8.54,-23.18,;-7,-25.85,;-7.77,-27.18,;-7,-28.51,;-5.46,-28.51,;-4.69,-27.18,;-5.46,-25.85,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(CCC3)OC)C2=O)cc1 |r,wU:9.25,12.15,(.82,-25.28,;2.15,-26.05,;3.48,-25.28,;3.48,-23.74,;4.82,-22.97,;6.15,-23.74,;7.49,-22.97,;8.82,-23.74,;10.28,-23.27,;11.19,-24.51,;11.96,-25.85,;13.5,-25.85,;14.27,-24.51,;13.5,-23.18,;11.96,-23.18,;15.04,-23.18,;14.27,-21.85,;16.58,-23.18,;15.04,-25.85,;14.27,-27.18,;15.04,-28.51,;16.58,-28.51,;17.35,-27.18,;16.58,-25.85,;10.28,-25.76,;10.68,-27.25,;9.59,-28.33,;8.05,-28.33,;8.05,-29.87,;9.59,-29.87,;10.93,-29.1,;12.26,-28.33,;8.82,-25.28,;7.49,-26.05,;6.15,-25.28,;4.82,-26.05,)|
CN(C)[C@]1(CC[C@]2(CN(CCc3ccccc3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.20,3.2,(17.09,-24.24,;15.76,-23.47,;15.76,-21.93,;14.42,-24.24,;13.65,-25.58,;12.11,-25.58,;11.34,-24.24,;10.44,-23,;8.97,-23.47,;7.88,-22.38,;6.4,-22.78,;5.31,-21.69,;5.71,-20.21,;4.62,-19.12,;3.13,-19.52,;2.73,-21,;3.82,-22.09,;8.97,-25.01,;7.64,-25.78,;10.44,-25.49,;10.84,-26.98,;9.75,-28.07,;11.08,-28.84,;8.21,-28.07,;8.21,-29.61,;9.75,-29.61,;12.11,-22.91,;13.65,-22.91,;15.19,-25.58,;14.42,-26.91,;15.19,-28.24,;16.73,-28.24,;17.5,-26.91,;16.73,-25.58,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3C#N)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-8.61,26.08,;-7.84,24.75,;-6.3,24.75,;-8.61,23.41,;-9.38,22.08,;-10.92,22.08,;-11.69,23.41,;-12.59,24.66,;-14.05,24.18,;-15.39,24.95,;-16.72,24.18,;-16.72,22.64,;-18.06,21.87,;-19.39,22.64,;-19.39,24.18,;-18.06,24.95,;-18.06,26.49,;-18.06,28.03,;-14.05,22.64,;-15.39,21.87,;-12.59,22.17,;-12.19,20.68,;-13.28,19.59,;-14.82,19.59,;-14.82,18.05,;-13.28,18.05,;-10.92,24.75,;-9.38,24.75,;-7.84,22.08,;-8.61,20.75,;-7.84,19.41,;-6.3,19.41,;-5.53,20.75,;-6.3,22.08,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)cc1 |r,wU:9.25,12.15,(-19.12,26.83,;-19.12,28.37,;-17.78,29.14,;-17.78,30.68,;-16.45,31.45,;-15.12,30.68,;-13.78,31.45,;-12.45,30.68,;-10.98,31.16,;-10.08,29.91,;-9.31,28.58,;-7.77,28.58,;-7,29.91,;-7.77,31.25,;-9.31,31.25,;-6.23,31.25,;-7,32.58,;-4.69,31.25,;-6.23,28.58,;-7,27.25,;-6.23,25.91,;-4.69,25.91,;-3.92,27.25,;-4.69,28.58,;-10.98,28.67,;-10.59,27.18,;-11.67,26.09,;-13.21,26.09,;-13.21,24.55,;-11.67,24.55,;-12.45,29.14,;-13.78,28.37,;-15.12,29.14,;-16.45,28.37,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(16.32,28.25,;17.09,26.91,;18.63,26.91,;16.32,25.58,;15.55,24.25,;14.01,24.25,;13.24,25.58,;12.34,26.82,;10.87,26.35,;9.54,27.12,;8.2,26.35,;8.2,24.81,;6.87,24.04,;5.54,24.81,;5.54,26.35,;6.87,27.12,;4.2,27.12,;2.87,26.35,;2.87,27.89,;5.54,27.89,;10.87,24.81,;9.54,24.04,;12.34,24.33,;12.73,22.85,;11.65,21.76,;10.11,21.76,;10.11,20.22,;11.65,20.22,;14.01,26.91,;15.55,26.91,;17.09,24.25,;16.32,22.91,;17.09,21.58,;18.63,21.58,;19.4,22.91,;18.63,24.25,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3c[nH]nn3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.18,3.2,(15.52,-3.77,;14.19,-3,;14.19,-1.46,;12.86,-3.77,;12.09,-5.11,;10.55,-5.11,;9.78,-3.77,;8.87,-2.53,;7.41,-3,;6.07,-2.23,;4.74,-3,;3.33,-2.38,;2.3,-3.52,;3.07,-4.86,;4.58,-4.54,;7.41,-4.54,;6.07,-5.31,;8.87,-5.02,;10.55,-2.44,;12.09,-2.44,;13.95,-4.86,;13.55,-6.35,;14.64,-7.44,;16.12,-7.04,;16.52,-5.55,;15.43,-4.47,)|
CCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:16.17,19.24,(-10.63,9.67,;-9.54,10.76,;-9.93,12.25,;-11.4,12.72,;-12.73,11.95,;-11.4,14.26,;-12.73,15.03,;-14.07,14.26,;-15.4,15.03,;-16.73,14.26,;-16.73,12.72,;-18.07,11.95,;-19.4,12.72,;-15.4,11.95,;-14.07,12.72,;-9.93,14.74,;-9.03,13.49,;-8.26,12.16,;-6.72,12.16,;-5.95,13.49,;-6.72,14.83,;-8.26,14.83,;-5.18,14.83,;-5.95,16.16,;-3.64,14.83,;-5.18,12.16,;-5.95,10.83,;-5.18,9.49,;-3.64,9.49,;-2.87,10.83,;-3.64,12.16,)|
CN(C)C1(CCC2(CN(Cc3cn(CCO)nn3)C(=O)N2)CC1)c1ccccc1 |(-5.11,-12.27,;-4.34,-13.6,;-2.8,-13.6,;-5.11,-14.94,;-5.88,-16.27,;-7.42,-16.27,;-8.19,-14.94,;-9.09,-13.69,;-10.55,-14.17,;-11.89,-13.4,;-13.22,-14.17,;-14.63,-13.54,;-15.66,-14.69,;-17.15,-14.29,;-18.24,-15.38,;-19.72,-14.98,;-14.89,-16.02,;-13.38,-15.7,;-10.55,-15.71,;-11.89,-16.48,;-9.09,-16.18,;-7.42,-13.6,;-5.88,-13.6,;-4.34,-16.27,;-5.11,-17.61,;-4.34,-18.94,;-2.8,-18.94,;-2.03,-17.61,;-2.8,-16.27,)|
CCCN1C(=O)N(Cc2ccc(OC)cc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:17.18,20.25,(11.81,8.18,;11.42,9.67,;12.5,10.76,;12.11,12.25,;10.64,12.72,;9.31,11.95,;10.64,14.26,;9.31,15.03,;7.97,14.26,;6.64,15.03,;5.31,14.26,;5.31,12.72,;3.97,11.95,;2.64,12.72,;6.64,11.95,;7.97,12.72,;12.11,14.74,;13.01,13.49,;13.78,12.16,;15.32,12.16,;16.09,13.49,;15.32,14.83,;13.78,14.83,;16.86,14.83,;16.09,16.16,;18.4,14.83,;16.86,12.16,;16.09,10.83,;16.86,9.49,;18.4,9.49,;19.17,10.83,;18.4,12.16,)|
CN(C)C1(CCC2(CN(Cc3cn(CC(N)=O)nn3)C(=O)N2)CC1)c1ccccc1 |(17.17,-12.27,;17.94,-13.6,;19.48,-13.6,;17.17,-14.94,;16.4,-16.27,;14.86,-16.27,;14.09,-14.94,;13.19,-13.69,;11.72,-14.17,;10.39,-13.4,;9.06,-14.17,;7.65,-13.54,;6.62,-14.69,;5.13,-14.29,;4.04,-15.38,;2.55,-14.98,;4.44,-16.86,;7.39,-16.02,;8.89,-15.7,;11.72,-15.71,;10.39,-16.48,;13.19,-16.18,;14.86,-13.6,;16.4,-13.6,;17.94,-16.27,;17.17,-17.61,;17.94,-18.94,;19.48,-18.94,;20.25,-17.61,;19.48,-16.27,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-8.61,6.15,;-7.84,4.82,;-6.3,4.82,;-8.61,3.48,;-9.38,2.15,;-10.92,2.15,;-11.69,3.48,;-12.59,4.73,;-14.05,4.25,;-15.39,5.02,;-16.72,4.25,;-18.06,5.02,;-19.39,4.25,;-19.39,2.71,;-18.06,1.94,;-16.72,2.71,;-14.05,2.71,;-15.39,1.94,;-12.59,2.24,;-12.19,.75,;-13.28,-.34,;-14.82,-.34,;-14.82,-1.88,;-13.28,-1.88,;-10.92,4.82,;-9.38,4.82,;-7.84,2.15,;-8.61,.82,;-7.84,-.52,;-6.3,-.52,;-5.53,.82,;-6.3,2.15,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)NC2=O)cc1 |r,wU:9.25,12.15,(2.64,2.71,;3.97,1.94,;5.31,2.71,;5.31,4.25,;6.64,5.02,;7.97,4.25,;9.31,5.02,;10.64,4.25,;12.11,4.73,;13.01,3.48,;13.78,2.15,;15.32,2.15,;16.09,3.48,;15.32,4.82,;13.78,4.82,;16.86,4.82,;16.09,6.15,;18.4,4.82,;16.86,2.15,;16.09,.82,;16.86,-.52,;18.4,-.52,;19.17,.82,;18.4,2.15,;12.11,2.24,;10.64,2.71,;9.31,1.94,;7.97,2.71,;6.64,1.94,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(Cc3ccncn3)C2=O)cc1 |r,wU:9.25,12.15,(-19.17,-9.83,;-19.17,-8.29,;-17.84,-7.52,;-17.84,-5.98,;-16.5,-5.21,;-15.17,-5.98,;-13.84,-5.21,;-12.5,-5.98,;-11.04,-5.5,;-10.13,-6.75,;-9.36,-8.08,;-7.82,-8.08,;-7.05,-6.75,;-7.82,-5.41,;-9.36,-5.41,;-6.28,-5.41,;-7.05,-4.08,;-4.74,-5.41,;-6.28,-8.08,;-7.05,-9.41,;-6.28,-10.75,;-4.74,-10.75,;-3.97,-9.41,;-4.74,-8.08,;-11.04,-7.99,;-10.64,-9.48,;-11.73,-10.57,;-13.22,-10.17,;-14.31,-11.26,;-13.91,-12.75,;-12.42,-13.15,;-11.33,-12.06,;-12.5,-7.52,;-13.84,-8.29,;-15.17,-7.52,;-16.5,-8.29,)|
COc1ccc(CN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(C(=O)OCc3ccccc3)C2=O)cc1 |r,wU:9.25,12.15,(1.4,28.39,;2.73,27.62,;4.06,28.39,;4.06,29.93,;5.4,30.7,;6.73,29.93,;8.06,30.7,;9.4,29.93,;10.86,30.41,;11.77,29.16,;12.54,27.83,;14.08,27.83,;14.85,29.16,;14.08,30.49,;12.54,30.49,;15.62,30.49,;14.85,31.83,;17.16,30.49,;15.62,27.83,;14.85,26.49,;15.62,25.16,;17.16,25.16,;17.93,26.49,;17.16,27.83,;10.86,27.92,;10.86,26.38,;12.2,25.61,;9.53,25.61,;9.13,24.12,;7.64,23.72,;6.55,24.81,;5.07,24.41,;4.67,22.92,;5.76,21.83,;7.24,22.23,;9.4,28.39,;8.06,27.62,;6.73,28.39,;5.4,27.62,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccnc(c3)N3CCOCC3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.26,3.2,(17.18,2.18,;15.64,2.18,;14.87,3.51,;14.87,.84,;14.1,-.49,;12.56,-.49,;11.79,.84,;10.89,2.09,;9.42,1.61,;8.09,2.38,;6.76,1.61,;5.42,2.38,;4.09,1.61,;4.09,.07,;5.42,-.7,;6.76,.07,;5.42,-2.24,;4.09,-3.01,;4.09,-4.55,;5.42,-5.32,;6.76,-4.55,;6.76,-3.01,;9.42,.07,;8.09,-.7,;10.89,-.4,;12.56,2.18,;14.1,2.18,;15.64,-.49,;14.87,-1.82,;15.64,-3.16,;17.18,-3.16,;17.95,-1.82,;17.18,-.49,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccnc(c3)N3CCNCC3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.26,3.2,(-4.86,-9.49,;-6.4,-9.49,;-7.17,-8.15,;-7.17,-10.82,;-7.94,-12.15,;-9.48,-12.15,;-10.25,-10.82,;-11.15,-9.57,;-12.62,-10.05,;-13.95,-9.28,;-15.29,-10.05,;-16.62,-9.28,;-17.95,-10.05,;-17.95,-11.59,;-16.62,-12.36,;-15.29,-11.59,;-16.62,-13.9,;-17.95,-14.67,;-17.95,-16.21,;-16.62,-16.98,;-15.29,-16.21,;-15.29,-14.67,;-12.62,-11.59,;-13.95,-12.36,;-11.15,-12.07,;-9.48,-9.49,;-7.94,-9.49,;-6.4,-12.15,;-7.17,-13.49,;-6.4,-14.82,;-4.86,-14.82,;-4.09,-13.49,;-4.86,-12.15,)|
CN(C)[C@]1(CC[C@]2(CN(CCc3ccccn3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-8.52,7.66,;-7.75,6.33,;-6.21,6.33,;-8.52,5,;-9.29,3.66,;-10.83,3.66,;-11.6,5,;-12.5,6.24,;-13.97,5.77,;-15.3,6.54,;-16.63,5.77,;-17.97,6.54,;-17.97,8.08,;-19.3,8.85,;-20.63,8.08,;-20.63,6.54,;-19.3,5.77,;-13.97,4.23,;-15.3,3.46,;-12.5,3.75,;-10.83,6.33,;-9.29,6.33,;-7.75,3.66,;-8.52,2.33,;-7.75,.99,;-6.21,.99,;-5.44,2.33,;-6.21,3.66,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cn(CCO)nn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(16.73,8.86,;17.5,7.53,;19.04,7.53,;16.73,6.19,;15.96,4.86,;14.42,4.86,;13.65,6.19,;12.75,7.44,;11.28,6.96,;9.95,7.73,;8.61,6.96,;7.21,7.59,;6.18,6.45,;4.69,6.84,;3.6,5.76,;2.11,6.15,;6.95,5.11,;8.45,5.43,;11.28,5.42,;9.95,4.65,;12.75,4.95,;13.15,3.46,;12.06,2.37,;13.39,1.6,;10.52,2.37,;10.52,.83,;12.06,.83,;14.42,7.53,;15.96,7.53,;17.5,4.86,;16.73,3.53,;17.5,2.19,;19.04,2.19,;19.81,3.53,;19.04,4.86,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cn(CC(N)=O)nn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(16.97,-2.14,;17.74,-3.48,;19.28,-3.48,;16.97,-4.81,;16.2,-6.14,;14.66,-6.14,;13.89,-4.81,;12.98,-3.56,;11.52,-4.04,;10.19,-3.27,;8.85,-4.04,;7.44,-3.41,;6.41,-4.56,;4.93,-4.16,;3.84,-5.25,;2.35,-4.85,;4.24,-6.74,;7.18,-5.89,;8.69,-5.57,;11.52,-5.58,;10.19,-6.35,;12.98,-6.06,;13.38,-7.54,;12.29,-8.63,;11.52,-7.3,;10.75,-8.63,;10.75,-10.17,;12.29,-10.17,;14.66,-3.48,;16.2,-3.48,;17.74,-6.14,;16.97,-7.48,;17.74,-8.81,;19.28,-8.81,;20.05,-7.48,;19.28,-6.14,)|
CN[C@]1(CC[C@]2(CN(Cc3cn(CCO)nn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.20,2.1,(-5.31,-12.62,;-4.54,-13.95,;-5.31,-15.29,;-6.08,-16.62,;-7.62,-16.62,;-8.39,-15.29,;-9.29,-14.04,;-10.76,-14.52,;-12.09,-13.75,;-13.43,-14.52,;-14.83,-13.89,;-15.86,-15.03,;-17.35,-14.64,;-18.44,-15.72,;-19.93,-15.33,;-15.09,-16.37,;-13.59,-16.05,;-10.76,-16.06,;-12.09,-16.83,;-9.29,-16.53,;-8.9,-18.02,;-9.99,-19.11,;-10.76,-17.77,;-11.53,-19.11,;-11.53,-20.65,;-9.99,-20.65,;-7.62,-13.95,;-6.08,-13.95,;-4.54,-16.62,;-5.31,-17.95,;-4.54,-19.29,;-3,-19.29,;-2.23,-17.95,;-3,-16.62,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cn(CC(N)=O)nn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(17.66,-23.89,;18.06,-25.38,;19.55,-25.78,;16.97,-26.47,;16.2,-27.8,;14.66,-27.8,;13.89,-26.47,;12.98,-25.22,;11.52,-25.7,;10.19,-24.93,;8.85,-25.7,;7.44,-25.07,;6.41,-26.21,;4.93,-25.82,;3.84,-26.9,;2.35,-26.51,;4.24,-28.39,;7.18,-27.55,;8.69,-27.23,;11.52,-27.24,;10.19,-28.01,;12.98,-27.71,;13.38,-29.2,;12.29,-30.29,;10.75,-30.29,;10.75,-31.83,;12.29,-31.83,;14.66,-25.13,;16.2,-25.13,;18.06,-27.55,;17.66,-29.04,;18.75,-30.13,;20.24,-29.73,;20.63,-28.25,;19.55,-27.16,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cn(CCO)nn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.21,3.2,(-4.62,29.89,;-4.22,28.4,;-2.73,28,;-5.31,27.31,;-6.08,25.98,;-7.62,25.98,;-8.39,27.31,;-9.29,28.56,;-10.76,28.08,;-12.09,28.85,;-13.43,28.08,;-14.83,28.71,;-15.86,27.56,;-17.35,27.96,;-18.44,26.87,;-19.93,27.27,;-15.09,26.23,;-13.59,26.55,;-10.76,26.54,;-12.09,25.77,;-9.29,26.07,;-8.9,24.58,;-9.99,23.49,;-11.53,23.49,;-11.53,21.95,;-9.99,21.95,;-7.62,28.65,;-6.08,28.65,;-4.22,26.22,;-4.62,24.74,;-3.53,23.65,;-2.04,24.05,;-1.64,25.53,;-2.73,26.62,)|
CN[C@]1(CC[C@]2(CN(Cc3cn(CC(N)=O)nn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:5.21,2.1,(16.97,29.88,;17.74,28.55,;16.97,27.22,;16.2,25.88,;14.66,25.88,;13.89,27.22,;12.98,28.46,;11.52,27.99,;10.19,28.76,;8.85,27.99,;7.44,28.61,;6.41,27.47,;4.93,27.87,;3.84,26.78,;2.35,27.18,;4.24,25.29,;7.18,26.13,;8.69,26.45,;11.52,26.45,;10.19,25.68,;12.98,25.97,;13.38,24.48,;12.29,23.39,;11.52,24.73,;10.75,23.39,;10.75,21.85,;12.29,21.85,;14.66,28.55,;16.2,28.55,;17.74,25.88,;16.97,24.55,;17.74,23.21,;19.28,23.21,;20.05,24.55,;19.28,25.88,)|
CN[C@]1(CC[C@]2(CN(Cc3cn(CCO)nn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.20,2.1,(-2.73,17.78,;-4.22,18.18,;-5.31,17.09,;-6.08,15.76,;-7.62,15.76,;-8.39,17.09,;-9.29,18.34,;-10.76,17.86,;-12.09,18.63,;-13.43,17.86,;-14.83,18.49,;-15.86,17.34,;-17.35,17.74,;-18.44,16.65,;-19.93,17.05,;-15.09,16.01,;-13.59,16.33,;-10.76,16.32,;-12.09,15.55,;-9.29,15.85,;-8.9,14.36,;-9.99,13.27,;-11.53,13.27,;-11.53,11.73,;-9.99,11.73,;-7.62,18.43,;-6.08,18.43,;-4.22,16,;-4.62,14.52,;-3.53,13.43,;-2.04,13.82,;-1.64,15.31,;-2.73,16.4,)|
CN[C@]1(CC[C@]2(CN(Cc3cn(CC(N)=O)nn3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:5.21,2.1,(19.55,17.78,;18.06,18.18,;16.97,17.09,;16.2,15.76,;14.66,15.76,;13.89,17.09,;12.98,18.34,;11.52,17.86,;10.19,18.63,;8.85,17.86,;7.44,18.49,;6.41,17.34,;4.93,17.74,;3.84,16.65,;2.35,17.05,;4.24,15.17,;7.18,16.01,;8.69,16.33,;11.52,16.32,;10.19,15.55,;12.98,15.85,;13.38,14.36,;12.29,13.27,;10.75,13.27,;10.75,11.73,;12.29,11.73,;14.66,18.43,;16.2,18.43,;18.06,16,;17.66,14.52,;18.75,13.43,;20.24,13.82,;20.63,15.31,;19.55,16.4,)|
CN(C)[C@]1(CC[C@]2(CN(CCc3cccnc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-8.31,7.72,;-7.54,6.39,;-6,6.39,;-8.31,5.06,;-9.08,3.72,;-10.62,3.72,;-11.39,5.06,;-12.3,6.3,;-13.76,5.83,;-15.1,6.6,;-16.43,5.83,;-17.76,6.6,;-17.76,8.14,;-19.1,8.91,;-20.43,8.14,;-20.43,6.6,;-19.1,5.83,;-13.76,4.29,;-15.1,3.52,;-12.3,3.81,;-10.62,6.39,;-9.08,6.39,;-7.54,3.72,;-8.31,2.39,;-7.54,1.06,;-6,1.06,;-5.23,2.39,;-6,3.72,)|
CN(C)[C@]1(CC[C@]2(CN(CCn3ccnc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.19,3.2,(13.3,7.99,;14.07,6.65,;15.61,6.65,;13.3,5.32,;12.53,3.98,;10.99,3.98,;10.22,5.32,;9.32,6.56,;7.85,6.09,;6.52,6.86,;5.18,6.09,;3.85,6.86,;2.44,6.23,;1.41,7.38,;2.18,8.71,;3.69,8.39,;7.85,4.55,;6.52,3.78,;9.32,4.07,;10.99,6.65,;12.53,6.65,;14.07,3.98,;13.3,2.65,;14.07,1.32,;15.61,1.32,;16.38,2.65,;15.61,3.98,)|
CN(C)[C@]1(CC[C@]2(CN(CCc3ccncc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.20,3.2,(-8.31,-3.06,;-7.54,-4.39,;-6,-4.39,;-8.31,-5.73,;-9.08,-7.06,;-10.62,-7.06,;-11.39,-5.73,;-12.3,-4.48,;-13.76,-4.96,;-15.1,-4.19,;-16.43,-4.96,;-17.76,-4.19,;-17.76,-2.65,;-19.1,-1.88,;-20.43,-2.65,;-20.43,-4.19,;-19.1,-4.96,;-13.76,-6.5,;-15.1,-7.27,;-12.3,-6.97,;-10.62,-4.39,;-9.08,-4.39,;-7.54,-7.06,;-8.31,-8.4,;-7.54,-9.73,;-6,-9.73,;-5.23,-8.4,;-6,-7.06,)|
CCN1C(=O)N(Cc2ccc(cc2)S(C)(=O)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:18.19,21.26,(10.69,-19.16,;11.78,-18.07,;11.38,-16.58,;9.92,-16.11,;8.58,-16.88,;9.92,-14.57,;8.83,-13.48,;7.34,-13.88,;6.25,-12.79,;4.76,-13.19,;4.36,-14.67,;5.45,-15.76,;6.94,-15.36,;2.88,-15.07,;1.39,-15.47,;2.48,-16.56,;1.79,-13.98,;11.38,-14.09,;12.29,-15.34,;13.06,-16.67,;14.6,-16.67,;15.37,-15.34,;14.6,-14,;13.06,-14,;16.14,-14,;15.37,-12.67,;17.68,-14,;16.14,-16.67,;15.37,-18,;16.14,-19.34,;17.68,-19.34,;18.45,-18,;17.68,-16.67,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2)C2(CC2)c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(12.19,-23.22,;12.96,-24.55,;14.5,-24.55,;12.19,-25.89,;11.42,-27.22,;9.88,-27.22,;9.11,-25.89,;8.21,-24.64,;6.74,-25.12,;6.74,-26.66,;5.41,-27.43,;8.21,-27.13,;5.41,-24.35,;6.18,-23.01,;4.64,-23.01,;4.07,-25.12,;2.74,-24.35,;1.41,-25.12,;1.41,-26.66,;2.74,-27.43,;4.07,-26.66,;9.88,-24.55,;11.42,-24.55,;12.96,-27.22,;12.19,-28.55,;12.96,-29.89,;14.5,-29.89,;15.27,-28.55,;14.5,-27.22,)|
COc1ccccc1CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(Cc2ccccc2OC)C1=O |r,wU:11.28,14.18,(-17.37,30.73,;-16.28,29.65,;-16.68,28.16,;-18.17,27.76,;-18.57,26.27,;-17.48,25.18,;-15.99,25.58,;-15.59,27.07,;-14.1,27.47,;-13.02,26.38,;-11.55,26.85,;-10.65,25.61,;-9.88,24.27,;-8.34,24.27,;-7.57,25.61,;-8.34,26.94,;-9.88,26.94,;-6.8,26.94,;-7.57,28.28,;-5.26,26.94,;-6.8,24.27,;-7.57,22.94,;-6.8,21.61,;-5.26,21.61,;-4.49,22.94,;-5.26,24.27,;-11.55,24.36,;-11.15,22.88,;-12.24,21.79,;-13.73,22.18,;-14.82,21.1,;-14.42,19.61,;-12.93,19.21,;-11.84,20.3,;-10.36,19.9,;-9.27,20.99,;-13.02,24.84,;-14.35,24.07,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)S(C)(=O)=O)C(=O)N2)CC1)c1ccccc1 |r,wU:6.23,3.2,(15.49,30.74,;16.26,29.41,;17.8,29.41,;15.49,28.07,;14.72,26.74,;13.18,26.74,;12.41,28.07,;11.5,29.32,;10.04,28.84,;8.95,29.93,;7.46,29.53,;6.37,30.62,;4.88,30.22,;4.49,28.74,;5.58,27.65,;7.06,28.04,;5.18,26.16,;4.78,24.67,;3.69,26.56,;6.27,25.07,;10.04,27.3,;8.7,26.53,;11.5,26.83,;13.18,29.41,;14.72,29.41,;16.26,26.74,;15.49,25.4,;16.26,24.07,;17.8,24.07,;18.57,25.4,;17.8,26.74,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)C(C)(C)c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(-6.23,15.33,;-6.23,13.79,;-4.9,13.02,;-7.57,13.02,;-8.34,11.69,;-9.88,11.69,;-10.65,13.02,;-11.55,14.27,;-13.02,13.79,;-13.02,12.25,;-14.35,11.48,;-11.55,11.77,;-11.15,10.29,;-12.24,9.2,;-10.91,8.43,;-13.78,9.2,;-13.78,7.66,;-12.24,7.66,;-14.1,14.88,;-14.5,16.37,;-13.02,15.97,;-15.59,14.48,;-16.68,15.57,;-18.17,15.17,;-18.57,13.68,;-17.48,12.59,;-15.99,12.99,;-9.88,14.35,;-8.34,14.35,;-6.8,11.69,;-7.57,10.35,;-6.8,9.02,;-5.26,9.02,;-4.49,10.35,;-5.26,11.69,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc(c3)C3CC3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.23,3.2,(17.2,15.03,;15.66,15.03,;14.89,16.36,;14.89,13.69,;14.12,12.36,;12.58,12.36,;11.81,13.69,;10.91,14.94,;9.44,14.46,;8.35,15.55,;6.87,15.15,;5.78,16.24,;4.29,15.84,;3.89,14.36,;4.98,13.27,;6.47,13.67,;4.58,11.78,;3.49,10.69,;4.98,10.29,;9.44,12.92,;8.11,12.15,;10.91,12.45,;12.58,15.03,;14.12,15.03,;15.66,12.36,;14.89,11.03,;15.66,9.69,;17.2,9.69,;17.97,11.03,;17.2,12.36,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3cccc4OCOc34)C(=O)N2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-5.26,3.25,;-6.8,3.25,;-7.57,4.58,;-7.57,1.91,;-8.34,.58,;-9.88,.58,;-10.65,1.91,;-11.55,3.16,;-13.02,2.68,;-14.1,3.77,;-15.59,3.28,;-16.68,4.37,;-18.17,3.97,;-18.57,2.49,;-17.48,1.4,;-17.56,-.14,;-16.12,-.69,;-15.15,.51,;-15.99,1.8,;-13.02,1.14,;-14.35,.37,;-11.55,.67,;-9.88,3.25,;-8.34,3.25,;-6.8,.58,;-7.57,-.76,;-6.8,-2.09,;-5.26,-2.09,;-4.49,-.76,;-5.26,.58,)|
CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2(O)CCC2)C2(CC2)c2ccccc2)CC1)c1ccccc1 |r,wU:6.11,3.2,(15.81,3.53,;15.81,1.99,;17.14,1.22,;14.48,1.22,;13.71,-.11,;12.17,-.11,;11.4,1.22,;10.49,2.47,;9.03,1.99,;9.03,.45,;7.69,-.32,;10.49,-.02,;10.89,-1.51,;9.8,-2.6,;11.13,-3.37,;8.26,-2.6,;8.26,-4.14,;9.8,-4.14,;7.94,3.08,;9,4.2,;7.5,4.56,;6.45,2.6,;5.36,3.68,;3.87,3.29,;3.47,1.8,;4.56,.71,;6.05,1.11,;12.17,2.56,;13.71,2.56,;15.25,-.11,;14.48,-1.44,;15.25,-2.78,;16.79,-2.78,;17.56,-1.44,;16.79,-.11,)|
COc1ccccc1CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(Cc2ccc(cc2)C#N)C1=O |r,wU:11.28,14.18,(-17.37,-6.84,;-16.28,-7.93,;-16.68,-9.41,;-18.17,-9.81,;-18.57,-11.3,;-17.48,-12.39,;-15.99,-11.99,;-15.59,-10.5,;-14.1,-10.11,;-13.02,-11.19,;-11.55,-10.72,;-10.65,-11.96,;-9.88,-13.3,;-8.34,-13.3,;-7.57,-11.96,;-8.34,-10.63,;-9.88,-10.63,;-6.8,-10.63,;-5.26,-10.63,;-7.57,-9.3,;-6.8,-13.3,;-7.57,-14.63,;-6.8,-15.97,;-5.26,-15.97,;-4.49,-14.63,;-5.26,-13.3,;-11.55,-13.21,;-11.15,-14.7,;-12.24,-15.79,;-13.73,-15.39,;-14.82,-16.48,;-14.42,-17.96,;-12.93,-18.36,;-11.84,-17.27,;-15.51,-19.05,;-16.6,-20.14,;-13.02,-12.73,;-14.35,-13.5,)|
COc1ccccc1CN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)NC1=O |r,wU:11.28,14.18,(3.47,-6.84,;4.8,-7.61,;4.8,-9.15,;3.47,-9.92,;3.47,-11.46,;4.8,-12.23,;6.14,-11.46,;6.14,-9.92,;7.47,-9.15,;8.81,-9.92,;10.27,-9.45,;11.18,-10.69,;11.95,-12.03,;13.49,-12.03,;14.26,-10.69,;13.49,-9.36,;11.95,-9.36,;15.03,-9.36,;16.57,-9.36,;14.26,-8.02,;15.03,-12.03,;14.26,-13.36,;15.03,-14.69,;16.57,-14.69,;17.34,-13.36,;16.57,-12.03,;10.27,-11.94,;8.81,-11.46,;7.47,-12.23,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccncc3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.19,3.2,(-5.27,-25.4,;-6.81,-25.4,;-7.58,-24.07,;-7.58,-26.74,;-8.35,-28.07,;-9.89,-28.07,;-10.66,-26.74,;-11.57,-25.49,;-13.03,-25.97,;-14.37,-25.2,;-15.7,-25.97,;-17.03,-25.2,;-18.37,-25.97,;-18.37,-27.51,;-17.03,-28.28,;-15.7,-27.51,;-13.03,-27.51,;-14.37,-28.28,;-11.57,-27.98,;-9.89,-25.4,;-8.35,-25.4,;-6.81,-28.07,;-7.58,-29.41,;-6.81,-30.74,;-5.27,-30.74,;-4.5,-29.41,;-5.27,-28.07,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccnc(c3)N3CCN(C)CC3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.27,3.2,(17.18,15.65,;15.64,15.65,;14.87,16.98,;14.87,14.31,;14.1,12.98,;12.56,12.98,;11.79,14.31,;10.89,15.56,;9.42,15.08,;8.09,15.85,;6.76,15.08,;5.42,15.85,;4.09,15.08,;4.09,13.54,;5.42,12.77,;6.76,13.54,;5.42,11.23,;4.09,10.46,;4.09,8.92,;5.42,8.15,;5.42,6.61,;6.76,8.92,;6.76,10.46,;9.42,13.54,;8.09,12.77,;10.89,13.07,;12.56,15.65,;14.1,15.65,;15.64,12.98,;14.87,11.65,;15.64,10.31,;17.18,10.31,;17.95,11.65,;17.18,12.98,)|
CN(C)[C@]1(CC[C@]2(CN(Cc3ccnc(c3)N3CCCCC3)C(=O)N2)CC1)c1ccccc1 |r,wU:6.26,3.2,(-4.86,2.18,;-6.4,2.18,;-7.17,3.51,;-7.17,.84,;-7.94,-.49,;-9.48,-.49,;-10.25,.84,;-11.15,2.09,;-12.62,1.61,;-13.95,2.38,;-15.29,1.61,;-16.62,2.38,;-17.95,1.61,;-17.95,.07,;-16.62,-.7,;-15.29,.07,;-16.62,-2.24,;-17.95,-3.01,;-17.95,-4.55,;-16.62,-5.32,;-15.29,-4.55,;-15.29,-3.01,;-12.62,.07,;-13.95,-.7,;-11.15,-.4,;-9.48,2.18,;-7.94,2.18,;-6.4,-.49,;-7.17,-1.82,;-6.4,-3.16,;-4.86,-3.16,;-4.09,-1.82,;-4.86,-.49,)|
Fc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1 |(-8,2.69,;-6.67,1.92,;-6.67,.38,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.7,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;6.67,-2.7,;8,-1.93,;8,-.39,;6.67,.38,;5.33,-.39,;,-.39,;-1.33,.38,;-4,1.92,;-2.67,2.7,;-5.33,2.69,)|
Cc1cc(F)ccc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:8.8,11.12,(-2.67,6.92,;-4,6.15,;-5.33,6.92,;-6.67,6.15,;-8,6.92,;-6.67,4.61,;-5.33,3.84,;-4,4.61,;-2.67,3.84,;-1.33,4.61,;,3.84,;,2.3,;1.33,1.53,;2.67,2.3,;4,1.53,;5.33,2.3,;6.67,1.53,;8,2.3,;8,3.84,;6.67,4.61,;5.33,3.84,;-1.33,1.53,;-2.67,2.3,)|
Fc1cccc(Cl)c1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:8.8,11.12,(-6,2.3,;-6,3.84,;-7.34,4.61,;-7.34,6.15,;-6,6.92,;-4.67,6.15,;-3.33,6.92,;-4.67,4.61,;-3.33,3.84,;-2,4.61,;-.67,3.84,;-.67,2.3,;.67,1.53,;2,2.3,;3.33,1.53,;4.67,2.3,;6,1.53,;7.34,2.3,;7.34,3.84,;6,4.61,;4.67,3.84,;-2,1.53,;-3.33,2.3,)|
OC1COCCC1NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wU:13.17,10.10,(6.67,-3.47,;6.67,-1.93,;8,-1.16,;8,.38,;6.67,1.15,;5.33,.38,;5.33,-1.16,;4,-1.93,;2.67,-1.16,;1.33,-1.93,;,-1.16,;-1.33,-1.93,;-2.67,-1.16,;-2.67,.38,;-1.33,1.15,;,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.46,;-5.33,3.47,;-4,2.69,;-2.67,3.46,)|
OC1CCCC1NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wU:12.16,9.9,(7.26,-3.37,;6.86,-1.88,;7.89,-.73,;7.12,.6,;5.61,.28,;5.45,-1.25,;4.12,-2.02,;2.78,-1.25,;1.45,-2.02,;.11,-1.25,;-1.22,-2.02,;-2.55,-1.25,;-2.55,.29,;-1.22,1.06,;.11,.29,;-3.89,1.06,;-5.22,.29,;-6.55,1.06,;-6.55,2.6,;-7.89,3.37,;-5.22,3.37,;-3.89,2.6,;-2.55,3.37,)|
F[C@@H]1CC[C@@H](C1)NCCC1CCC(CC1)c1ccc(F)cc1Cl |r,wU:4.6,1.0,(8.63,-1.81,;7.14,-1.41,;6.37,-.07,;4.87,-.39,;4.71,-1.93,;6.11,-2.55,;3.37,-2.69,;2.04,-1.93,;.7,-2.69,;-.63,-1.93,;-1.96,-2.69,;-3.3,-1.93,;-3.3,-.38,;-1.96,.38,;-.63,-.38,;-4.63,.38,;-5.96,-.38,;-7.3,.38,;-7.3,1.93,;-8.63,2.69,;-5.96,2.69,;-4.63,1.93,;-3.3,2.69,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCC(F)(F)C3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-8.55,2.69,;-7.22,1.93,;-7.22,.38,;-5.89,-.38,;-4.55,.38,;-3.22,-.38,;-1.89,.38,;-.55,-.38,;-.55,-1.93,;.78,-2.69,;2.12,-1.93,;3.45,-2.69,;4.78,-1.93,;4.94,-.39,;6.45,-.07,;7.22,-1.41,;8.55,-2.18,;8.55,-.64,;6.19,-2.55,;-1.89,-2.69,;-3.22,-1.93,;-4.55,1.93,;-3.22,2.69,;-5.89,2.69,)|
FC1COCCC1NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:13.17,10.10,(6.67,-3.47,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.16,;5.33,.38,;5.33,-1.15,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-2.67,3.47,)|
FC1COCCC1NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:13.17,10.10,(6.67,1.75,;6.67,3.29,;8,4.06,;8,5.6,;6.67,6.37,;5.33,5.6,;5.33,4.06,;4,3.29,;2.67,4.06,;1.33,3.29,;,4.06,;,5.6,;-1.33,6.37,;-2.67,5.6,;-2.67,4.06,;-1.33,3.29,;-4,6.37,;-5.33,5.6,;-6.67,6.37,;-6.67,7.91,;-8,8.68,;-5.33,8.68,;-4,7.91,;-2.67,8.68,)|
FC1COCCC1NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1Cl |r,wU:10.10,wD:13.17,(6.67,-8.68,;6.67,-7.14,;8,-6.37,;8,-4.83,;6.67,-4.06,;5.33,-4.83,;5.33,-6.37,;4,-7.14,;2.67,-6.37,;1.33,-7.14,;,-6.37,;-1.33,-7.14,;-2.67,-6.37,;-2.67,-4.83,;-1.33,-4.06,;,-4.83,;-4,-4.06,;-5.33,-4.83,;-6.67,-4.06,;-6.67,-2.52,;-8,-1.75,;-5.33,-1.75,;-4,-2.52,;-2.67,-1.75,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCOCC3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-8,2.69,;-6.67,1.93,;-6.67,.38,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.39,;5.33,-.38,;-1.33,-2.69,;-2.67,-1.93,;-4,1.93,;-2.67,2.69,;-5.33,2.69,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCCC3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-7.89,2.69,;-6.55,1.93,;-5.22,2.69,;-3.89,1.93,;-3.89,.38,;-2.55,-.38,;-1.22,.38,;.11,-.38,;.11,-1.93,;1.45,-2.69,;2.78,-1.93,;4.12,-2.69,;5.45,-1.93,;6.86,-2.55,;7.89,-1.41,;7.12,-.07,;5.61,-.39,;-1.22,-2.69,;-2.55,-1.93,;-5.22,-.38,;-5.22,-1.93,;-6.55,.38,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:16.20,13.13,(8,-2.54,;6.67,-3.31,;5.33,-2.54,;4.25,-3.62,;5.33,-1,;6.67,-1.77,;8,-1,;8,.54,;6.67,1.31,;5.33,.54,;4,-1.77,;2.67,-1,;1.33,-1.77,;,-1,;,.54,;-1.33,1.31,;-2.67,.54,;-2.67,-1,;-1.33,-1.77,;-4,1.31,;-5.33,.54,;-6.67,1.31,;-6.67,2.85,;-8,3.62,;-5.33,3.62,;-4,2.85,;-2.67,3.62,)|
Fc1cnc([C@@H]2CC[C@H](CCNC3CCOCC3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-8,8.11,;-6.67,7.34,;-6.67,5.8,;-5.33,5.03,;-4,5.8,;-2.67,5.03,;-1.33,5.8,;,5.03,;,3.49,;1.33,2.72,;2.67,3.49,;4,2.72,;5.33,3.49,;6.67,2.72,;8,3.49,;8,5.03,;6.67,5.8,;5.33,5.03,;-1.33,2.72,;-2.67,3.49,;-4,7.34,;-2.67,8.11,;-5.33,8.11,)|
Fc1ccc([C@@H]2CC[C@H](CCN[C@H]3CC[C@H](CC3)C#N)CC2)c(c1)C(F)(F)F |r,wU:5.4,8.8,12.11,15.18,(-9.34,2.03,;-8,1.26,;-8,-.28,;-6.67,-1.05,;-5.33,-.28,;-4,-1.05,;-4,-2.59,;-2.67,-3.36,;-1.33,-2.59,;,-3.36,;1.33,-2.59,;2.67,-3.36,;4,-2.59,;4,-1.05,;5.33,-.28,;6.67,-1.05,;6.67,-2.59,;5.33,-3.36,;8,-.28,;9.34,.49,;-1.33,-1.05,;-2.67,-.28,;-5.33,1.26,;-6.67,2.03,;-4,2.03,;-2.67,2.8,;-4.77,3.36,;-3.23,.69,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCNC(=O)C3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-8.67,2.69,;-7.34,1.92,;-7.34,.38,;-6,-.38,;-4.67,.38,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;4.67,-.39,;6,.39,;7.34,-.39,;7.34,-1.93,;8.67,-2.69,;6,-2.7,;-2,-2.7,;-3.33,-1.93,;-4.67,1.92,;-3.33,2.7,;-6,2.69,)|
Fc1ccc([C@@H]2CC[C@H](CCN[C@@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wD:5.4,8.8,12.11,(-8.67,2.69,;-7.34,1.92,;-7.34,.38,;-6,-.38,;-4.67,.38,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;4.67,-.39,;6,.39,;7.34,-.39,;7.34,-1.93,;8.67,-2.69,;6,-2.7,;-2,-2.7,;-3.33,-1.93,;-4.67,1.92,;-3.33,2.7,;-6,2.69,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:15.19,12.12,(6.67,-3.47,;5.33,-2.69,;4,-3.47,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.15,;5.33,.38,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;-4,1.15,;-4,2.69,;-5.33,3.47,;-6.67,2.69,;-8,3.47,;-6.67,1.15,;-5.33,.38,;-5.33,-1.15,)|
Fc1ccc([C@H]2CC[C@H](CCNC3CCOCC3)CC2)c(Cl)c1 |r,wU:8.8,wD:5.4,(-8,2.69,;-6.67,1.92,;-6.67,.39,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.7,;2.67,-1.93,;4,-2.7,;5.33,-1.93,;6.67,-2.7,;8,-1.93,;8,-.39,;6.67,.38,;5.33,-.39,;,-.39,;-1.33,.38,;-4,1.92,;-2.67,2.7,;-5.33,2.7,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1F |r,wU:13.13,wD:16.20,(8,-7.9,;6.67,-8.67,;5.33,-7.9,;4.25,-8.98,;5.33,-6.36,;6.67,-7.13,;8,-6.36,;8,-4.82,;6.67,-4.05,;5.33,-4.82,;4,-7.13,;2.67,-6.36,;1.33,-7.13,;,-6.36,;-1.33,-7.13,;-2.67,-6.36,;-2.67,-4.82,;-1.33,-4.05,;,-4.82,;-4,-4.05,;-5.33,-4.82,;-6.67,-4.05,;-6.67,-2.51,;-8,-1.74,;-5.33,-1.74,;-4,-2.51,;-2.67,-1.74,)|
Clc1cccc(Cl)c1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:8.8,11.12,(-3.33,8.04,;-4.67,7.27,;-6,8.04,;-7.34,7.27,;-7.34,5.73,;-6,4.96,;-6,3.42,;-4.67,5.73,;-3.33,4.96,;-2,5.73,;-.67,4.96,;-.67,3.42,;.67,2.65,;2,3.42,;3.33,2.65,;4.67,3.42,;6,2.65,;7.34,3.42,;7.34,4.96,;6,5.73,;4.67,4.96,;-2,2.65,;-3.33,3.42,)|
Clc1cccc(Cl)c1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:11.12,wD:8.8,(-3.33,-2.65,;-4.67,-3.42,;-6,-2.65,;-7.34,-3.42,;-7.34,-4.96,;-6,-5.73,;-6,-7.27,;-4.67,-4.96,;-3.33,-5.73,;-3.33,-7.27,;-2,-8.04,;-.67,-7.27,;.67,-8.04,;2,-7.27,;3.33,-8.04,;4.67,-7.27,;6,-8.04,;7.34,-7.27,;7.34,-5.73,;6,-4.96,;4.67,-5.73,;-.67,-5.73,;-2,-4.96,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCOCC3)CC2)c(F)c1 |r,wD:5.4,8.8,(-8,6.92,;-6.67,6.15,;-6.67,4.61,;-5.33,3.84,;-4,4.61,;-2.67,3.84,;-1.33,4.61,;,3.84,;,2.3,;1.33,1.53,;2.67,2.3,;4,1.53,;5.33,2.3,;6.67,1.53,;8,2.3,;8,3.84,;6.67,4.61,;5.33,3.84,;-1.33,1.53,;-2.67,2.3,;-4,6.15,;-2.67,6.92,;-5.33,6.92,)|
Fc1ccc([C@H]2CC[C@H](CCNC3CCOCC3)CC2)c(F)c1 |r,wU:8.8,wD:5.4,(-8,-1.53,;-6.67,-2.3,;-6.67,-3.84,;-5.33,-4.61,;-4,-3.84,;-2.67,-4.61,;-2.67,-6.15,;-1.33,-6.92,;,-6.15,;1.33,-6.92,;2.67,-6.15,;4,-6.92,;5.33,-6.15,;6.67,-6.92,;8,-6.15,;8,-4.61,;6.67,-3.84,;5.33,-4.61,;,-4.61,;-1.33,-3.84,;-4,-2.3,;-2.67,-1.53,;-5.33,-1.53,)|
Cc1cc(F)ccc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:11.12,wD:8.8,(-2.67,-1.53,;-4,-2.3,;-5.33,-1.53,;-6.67,-2.3,;-8,-1.53,;-6.67,-3.84,;-5.33,-4.61,;-4,-3.84,;-2.67,-4.61,;-2.67,-6.15,;-1.33,-6.92,;,-6.15,;1.33,-6.92,;2.67,-6.15,;4,-6.92,;5.33,-6.15,;6.67,-6.92,;8,-6.15,;8,-4.61,;6.67,-3.84,;5.33,-4.61,;,-4.61,;-1.33,-3.84,)|
Fc1cccc(Cl)c1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:11.12,wD:8.8,(-6,-6.15,;-6,-4.61,;-7.34,-3.84,;-7.34,-2.3,;-6,-1.53,;-4.67,-2.3,;-3.33,-1.53,;-4.67,-3.84,;-3.33,-4.61,;-3.33,-6.15,;-2,-6.92,;-.67,-6.15,;.67,-6.92,;2,-6.15,;3.33,-6.92,;4.67,-6.15,;6,-6.92,;7.34,-6.15,;7.34,-4.61,;6,-3.84,;4.67,-4.61,;-.67,-4.61,;-2,-3.84,)|
CO[C@@H]1COCC[C@@H]1NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wU:14.18,11.11,7.8,2.1,(8,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-2.67,3.85,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1c(F)cc(F)cc1Cl |r,wD:15.19,12.12,(7.22,2.17,;5.73,2.57,;4.64,1.48,;5.33,4.06,;6.67,3.29,;8,4.06,;8,5.6,;6.67,6.37,;5.33,5.6,;4,3.29,;2.67,4.06,;1.33,3.29,;,4.06,;,5.6,;-1.33,6.37,;-2.67,5.6,;-2.67,4.06,;-1.33,3.29,;-4,6.37,;-5.33,5.6,;-5.33,4.06,;-6.67,6.37,;-6.67,7.91,;-8,8.68,;-5.33,8.68,;-4,7.91,;-2.67,8.68,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1c(F)cc(F)cc1Cl |r,wU:12.12,wD:15.19,(7.22,-7.99,;5.73,-7.59,;4.64,-8.68,;5.33,-6.1,;6.67,-6.87,;8,-6.1,;8,-4.56,;6.67,-3.79,;5.33,-4.56,;4,-6.87,;2.67,-6.1,;1.33,-6.87,;,-6.1,;-1.33,-6.87,;-2.67,-6.1,;-2.67,-4.56,;-1.33,-3.79,;,-4.56,;-4,-3.79,;-5.33,-4.56,;-5.33,-6.1,;-6.67,-3.79,;-6.67,-2.25,;-8,-1.48,;-5.33,-1.48,;-4,-2.25,;-2.67,-1.48,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1C(F)(F)F |r,wD:15.19,12.12,(7.22,2.26,;5.73,2.66,;4.64,1.57,;5.33,4.15,;6.67,3.38,;8,4.15,;8,5.69,;6.67,6.46,;5.33,5.69,;4,3.38,;2.67,4.15,;1.33,3.38,;,4.15,;,5.69,;-1.33,6.46,;-2.67,5.69,;-2.67,4.15,;-1.33,3.38,;-4,6.46,;-5.33,5.69,;-6.67,6.46,;-6.67,8,;-8,8.77,;-5.33,8.77,;-4,8,;-2.67,8.77,;-1.33,8,;-2.67,10.31,;-1.33,9.54,)|
Cc1cc(F)cc(F)c1[C@@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wD:9.9,12.13,(-2.67,9.54,;-4,8.77,;-5.33,9.54,;-6.67,8.77,;-8,9.54,;-6.67,7.23,;-5.33,6.46,;-5.33,4.92,;-4,7.23,;-2.67,6.46,;-1.33,7.23,;,6.46,;,4.92,;1.33,4.15,;2.67,4.92,;4,4.15,;5.33,4.92,;6.67,4.15,;8,4.92,;8,6.46,;6.67,7.23,;5.33,6.46,;5.73,3.43,;7.22,3.03,;4.64,2.34,;-1.33,4.15,;-2.67,4.92,)|
Cc1cc(F)cc(F)c1[C@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wU:12.13,wD:9.9,(-2.67,-2.34,;-4,-3.11,;-5.33,-2.34,;-6.67,-3.11,;-8,-2.34,;-6.67,-4.65,;-5.33,-5.42,;-5.33,-6.96,;-4,-4.65,;-2.67,-5.42,;-2.67,-6.96,;-1.33,-7.73,;,-6.96,;1.33,-7.73,;2.67,-6.96,;4,-7.73,;5.33,-6.96,;6.67,-7.73,;8,-6.96,;8,-5.42,;6.67,-4.65,;5.33,-5.42,;5.73,-8.45,;7.22,-8.85,;4.64,-9.54,;,-5.42,;-1.33,-4.65,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1c(F)cc(F)cc1F |r,wU:12.12,wD:15.19,(7.22,-8.85,;5.73,-8.45,;4.64,-9.54,;5.33,-6.96,;6.67,-7.73,;8,-6.96,;8,-5.42,;6.67,-4.65,;5.33,-5.42,;4,-7.73,;2.67,-6.96,;1.33,-7.73,;,-6.96,;-1.33,-7.73,;-2.67,-6.96,;-2.67,-5.42,;-1.33,-4.65,;,-5.42,;-4,-4.65,;-4,-3.11,;-2.67,-2.34,;-5.33,-2.34,;-6.67,-3.11,;-8,-2.34,;-6.67,-4.65,;-5.33,-5.42,;-5.33,-6.96,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1C(F)(F)F |r,wD:16.20,13.13,(7.62,1.17,;7.22,2.66,;5.73,3.06,;4.64,1.97,;5.33,4.54,;6.67,3.77,;8,4.54,;8,6.08,;6.67,6.85,;5.33,6.08,;4,3.77,;2.67,4.54,;1.33,3.77,;,4.54,;,6.08,;-1.33,6.85,;-2.67,6.08,;-2.67,4.54,;-1.33,3.77,;-4,6.85,;-5.33,6.08,;-6.67,6.85,;-6.67,8.39,;-8,9.16,;-5.33,9.16,;-4,8.39,;-2.67,9.16,;-1.33,8.39,;-2.67,10.7,;-1.33,9.93,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1C(F)(F)F |r,wU:13.13,wD:16.20,(7.62,-10.7,;7.22,-9.22,;5.73,-8.82,;4.64,-9.91,;5.33,-7.33,;6.67,-8.1,;8,-7.33,;8,-5.79,;6.67,-5.02,;5.33,-5.79,;4,-8.1,;2.67,-7.33,;1.33,-8.1,;,-7.33,;-1.33,-8.1,;-2.67,-7.33,;-2.67,-5.79,;-1.33,-5.02,;,-5.79,;-4,-5.02,;-5.33,-5.79,;-6.67,-5.02,;-6.67,-3.48,;-8,-2.71,;-5.33,-2.71,;-4,-3.48,;-2.67,-2.71,;-1.33,-3.48,;-2.67,-1.17,;-1.33,-1.94,)|
CCNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1C(F)(F)F |r,wD:17.21,14.14,(8.55,-4.58,;7.07,-4.18,;6.67,-2.7,;5.18,-2.3,;4.09,-3.39,;4.78,-.81,;6.12,-1.58,;7.45,-.81,;7.45,.73,;6.12,1.5,;4.78,.73,;3.45,-1.58,;2.11,-.81,;.78,-1.58,;-.55,-.81,;-.55,.73,;-1.89,1.5,;-3.22,.73,;-3.22,-.81,;-1.89,-1.58,;-4.55,1.5,;-5.89,.73,;-7.22,1.5,;-7.22,3.04,;-8.55,3.81,;-5.89,3.81,;-4.55,3.04,;-3.22,3.81,;-1.89,4.58,;-4.55,4.58,;-3.22,2.27,)|
Cc1cc(F)ccc1[C@@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wD:8.8,11.12,(-2.67,3.47,;-4,2.69,;-5.33,3.47,;-6.67,2.69,;-8,3.47,;-6.67,1.15,;-5.33,.38,;-4,1.15,;-2.67,.38,;-1.33,1.15,;,.38,;,-1.15,;1.33,-1.93,;2.67,-1.15,;4,-1.93,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.16,;5.33,.38,;5.33,-2.69,;6.67,-3.47,;4,-3.47,;-1.33,-1.92,;-2.67,-1.15,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ncc(F)cc1Cl |r,wD:16.20,13.13,(8,2.69,;6.67,1.92,;5.33,2.69,;4.25,1.6,;5.33,4.23,;6.67,3.46,;8,4.23,;8,5.77,;6.67,6.54,;5.33,5.77,;4,3.46,;2.67,4.23,;1.33,3.46,;,4.23,;,5.77,;-1.33,6.54,;-2.67,5.77,;-2.67,4.23,;-1.33,3.46,;-4,6.54,;-5.33,5.77,;-6.67,6.54,;-6.67,8.08,;-8,8.85,;-5.33,8.85,;-4,8.08,;-2.67,8.85,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ncc(F)cc1Cl |r,wU:13.13,wD:16.20,(8,-7.76,;6.67,-8.53,;5.33,-7.76,;4.25,-8.85,;5.33,-6.22,;6.67,-6.99,;8,-6.22,;8,-4.68,;6.67,-3.91,;5.33,-4.68,;4,-6.99,;2.67,-6.22,;1.33,-6.99,;,-6.22,;-1.33,-6.99,;-2.67,-6.22,;-2.67,-4.68,;-1.33,-3.91,;,-4.68,;-4,-3.91,;-5.33,-4.68,;-6.67,-3.91,;-6.67,-2.37,;-8,-1.6,;-5.33,-1.6,;-4,-2.37,;-2.67,-1.6,)|
OCC1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.15,;5.33,.38,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-2.67,3.47,)|
CNC(=O)C1(CCCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:15.19,12.12,(8,-2.69,;6.67,-3.47,;5.33,-2.69,;4,-3.47,;5.33,-1.15,;6.87,-1.02,;7.22,.48,;5.9,1.27,;4.73,.26,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-2.67,3.47,)|
CCNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:17.21,14.14,(8.67,-3.31,;7.34,-2.54,;6,-3.31,;4.67,-2.54,;3.58,-3.62,;4.67,-1,;6,-1.77,;7.34,-1,;7.34,.54,;6,1.31,;4.67,.54,;3.33,-1.77,;2,-1,;.67,-1.77,;-.67,-1,;-.67,.54,;-2,1.31,;-3.33,.54,;-3.33,-1,;-2,-1.77,;-4.67,1.31,;-6,.54,;-7.34,1.31,;-7.34,2.85,;-8.67,3.62,;-6,3.62,;-4.67,2.85,;-3.33,3.62,)|
Fc1cnc([C@H]2CC[C@H](CCNC3CCOCC3)CC2)c(Cl)c1 |r,wU:8.8,wD:5.4,(-8,-2.72,;-6.67,-3.49,;-6.67,-5.03,;-5.33,-5.8,;-4,-5.03,;-2.67,-5.8,;-2.67,-7.34,;-1.33,-8.11,;,-7.34,;1.33,-8.11,;2.67,-7.34,;4,-8.11,;5.33,-7.34,;6.67,-8.11,;8,-7.34,;8,-5.8,;6.67,-5.03,;5.33,-5.8,;,-5.8,;-1.33,-5.03,;-4,-3.49,;-2.67,-2.72,;-5.33,-2.72,)|
COCC1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:15.19,12.12,(6.67,-4.23,;6.67,-2.69,;5.33,-1.93,;5.33,-.38,;6.67,-1.15,;8,-.38,;8,1.15,;6.67,1.93,;5.33,1.15,;4,-1.15,;2.67,-.38,;1.33,-1.15,;,-.38,;,1.15,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-1.33,-1.15,;-4,1.93,;-5.33,1.15,;-6.67,1.93,;-6.67,3.47,;-8,4.23,;-5.33,4.23,;-4,3.47,;-2.67,4.23,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1c(F)cncc1Cl |r,wD:16.20,13.13,(7.49,2.91,;6.4,1.82,;4.91,2.22,;3.82,1.13,;4.51,3.71,;6.05,3.71,;6.82,5.04,;6.05,6.37,;4.51,6.37,;3.74,5.04,;3.18,2.94,;1.85,3.71,;.51,2.94,;-.82,3.71,;-.82,5.25,;-2.15,6.02,;-3.49,5.25,;-3.49,3.71,;-2.15,2.94,;-4.82,6.02,;-6.16,5.25,;-6.16,3.71,;-7.49,6.02,;-7.49,7.56,;-6.16,8.33,;-4.82,7.56,;-3.49,8.33,)|
CCNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ncc(F)cc1Cl |r,wD:17.21,14.14,(8.67,2.43,;7.34,3.2,;6,2.43,;4.67,3.2,;3.58,2.11,;4.67,4.74,;6,3.97,;7.34,4.74,;7.34,6.28,;6,7.05,;4.67,6.28,;3.33,3.97,;2,4.74,;.67,3.97,;-.67,4.74,;-.67,6.28,;-2,7.05,;-3.33,6.28,;-3.33,4.74,;-2,3.97,;-4.67,7.05,;-6,6.28,;-7.34,7.05,;-7.34,8.59,;-8.67,9.36,;-6,9.36,;-4.67,8.59,;-3.33,9.36,)|
Fc1cccc(Cl)c1C1CCC(CCNC2CCCC2)CC1 |(-3.22,2.7,;-4.55,1.92,;-5.89,2.69,;-7.22,1.92,;-7.22,.38,;-5.89,-.39,;-5.89,-1.93,;-4.55,.38,;-3.22,-.39,;-3.22,-1.93,;-1.89,-2.69,;-.55,-1.93,;.78,-2.7,;2.12,-1.93,;3.45,-2.7,;4.78,-1.93,;6.19,-2.55,;7.22,-1.41,;6.45,-.07,;4.94,-.39,;-.55,-.39,;-1.89,.38,)|
Cc1cc(F)ccc1C1CCC(CCNC2CCCC2)CC1 |(-5.22,-1.93,;-5.22,-.38,;-6.55,.38,;-6.55,1.93,;-7.89,2.69,;-5.22,2.69,;-3.89,1.93,;-3.89,.38,;-2.55,-.38,;-2.55,-1.93,;-1.22,-2.69,;.11,-1.93,;1.45,-2.69,;2.78,-1.93,;4.12,-2.69,;5.45,-1.93,;6.86,-2.55,;7.89,-1.41,;7.12,-.07,;5.61,-.39,;.11,-.38,;-1.22,.38,)|
Clc1ccccc1C1CCC(CCNC2CCOCC2)CC1 |(-6,-1.93,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;6,-2.69,;7.34,-1.93,;7.34,-.38,;6,.39,;4.67,-.38,;-.67,-.38,;-2,.38,)|
Fc1cc(Cl)ccc1C1CCC(CCNC2CCOCC2)CC1 |(-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-8,2.69,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,)|
Cc1cc(F)ccc1C1CCC(CCNC2CCOCC2)CC1 |(-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-8,2.69,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,)|
Fc1ccc(Cl)c(c1)C1CCC(CCNC2CCOCC2)CC1 |(-6,3.47,;-6,1.93,;-7.34,1.15,;-7.34,-.38,;-6,-1.15,;-6,-2.69,;-4.67,-.38,;-4.67,1.15,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.46,;-.67,-2.69,;.67,-3.47,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;4.67,-1.15,;-.67,-1.15,;-2,-.38,)|
Fc1cnc(C2CCC(CCNC3CCCCC3)CC2)c(Cl)c1 |(-8,2.69,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,;-5.33,-.38,;-5.33,-1.93,;-6.67,.38,)|
Fc1cccc(Cl)c1C1CCC(CCNC2CCCCC2)CC1 |(-3.33,2.7,;-4.67,1.92,;-6,2.69,;-7.34,1.92,;-7.34,.38,;-6,-.39,;-6,-1.93,;-4.67,.38,;-3.33,-.39,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;7.34,-.39,;6,.38,;4.67,-.39,;-.67,-.39,;-2,.38,)|
Fc1cc(Cl)ccc1C1CCC(CCNC2CCCCC2)CC1 |(-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-8,2.69,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,)|
Fc1cnc([C@@H]2CC[C@H](CCN[C@@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wU:12.11,wD:5.4,8.8,(-8,7.13,;-6.67,6.36,;-6.67,4.82,;-5.33,4.05,;-4,4.82,;-2.67,4.05,;-1.33,4.82,;,4.05,;,2.51,;1.33,1.74,;2.67,2.51,;4,1.74,;5.33,2.51,;6.67,1.74,;8,2.51,;8,4.05,;6.67,4.82,;6.67,6.36,;5.33,4.05,;-1.33,1.74,;-2.67,2.51,;-4,6.36,;-2.67,7.13,;-5.33,7.13,)|
Fc1cnc([C@H]2CC[C@H](CCN[C@@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wU:8.8,12.11,wD:5.4,(-8,-1.74,;-6.67,-2.51,;-6.67,-4.05,;-5.33,-4.82,;-4,-4.05,;-2.67,-4.82,;-2.67,-6.36,;-1.33,-7.13,;,-6.36,;1.33,-7.13,;2.67,-6.36,;4,-7.13,;5.33,-6.36,;6.67,-7.13,;8,-6.36,;8,-4.82,;6.67,-4.05,;6.67,-2.51,;5.33,-4.82,;,-4.82,;-1.33,-4.05,;-4,-2.51,;-2.67,-1.74,;-5.33,-1.74,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCNC3=O)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-7.85,2.69,;-6.52,1.92,;-6.52,.38,;-5.19,-.38,;-3.85,.38,;-2.52,-.39,;-1.18,.38,;.15,-.39,;.15,-1.93,;1.48,-2.7,;2.82,-1.93,;4.15,-2.7,;5.48,-1.93,;6.95,-2.4,;7.85,-1.16,;6.95,.09,;5.48,-.39,;4.15,.39,;-1.18,-2.7,;-2.52,-1.93,;-3.85,1.92,;-2.52,2.7,;-5.19,2.69,)|
Fc1ccc([C@@H]2CC[C@H](CCN[C@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wU:12.11,wD:5.4,8.8,(-8.67,2.69,;-7.34,1.92,;-7.34,.38,;-6,-.38,;-4.67,.38,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;4.67,-.39,;6,.39,;7.34,-.39,;7.34,-1.93,;8.67,-2.69,;6,-2.7,;-2,-2.7,;-3.33,-1.93,;-4.67,1.92,;-3.33,2.7,;-6,2.69,)|
Fc1ccc([C@H]2CC[C@H](CCNC3CCNC(=O)C3)CC2)c(Cl)c1 |r,wU:8.8,wD:5.4,(-8.67,2.69,;-7.34,1.92,;-7.34,.38,;-6,-.39,;-4.67,.38,;-3.33,-.39,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;4.67,-.39,;6,.38,;7.34,-.39,;7.34,-1.93,;8.67,-2.7,;6,-2.7,;-.67,-.39,;-2,.38,;-4.67,1.92,;-3.33,2.7,;-6,2.69,)|
Cc1cc(F)c(F)cc1[C@@H]1CC[C@H](CCN[C@@H]2CCNC(=O)C2)CC1 |r,wD:9.9,12.13,16.16,(-3.33,7.48,;-4.67,6.71,;-6,7.48,;-7.34,6.71,;-8.67,7.48,;-7.34,5.17,;-8.67,4.4,;-6,4.4,;-4.67,5.17,;-3.33,4.4,;-2,5.17,;-.67,4.4,;-.67,2.86,;.67,2.09,;2,2.86,;3.33,2.09,;4.67,2.86,;4.67,4.4,;6,5.17,;7.34,4.4,;7.34,2.86,;8.67,2.09,;6,2.09,;-2,2.09,;-3.33,2.86,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ncc(F)cc1Cl |r,wD:15.19,12.12,(6.67,1.47,;5.33,2.24,;4,1.47,;5.33,3.78,;6.67,3.01,;8,3.78,;8,5.32,;6.67,6.09,;5.33,5.32,;4,3.01,;2.67,3.78,;1.33,3.01,;,3.78,;,5.32,;-1.33,6.09,;-2.67,5.32,;-2.67,3.78,;-1.33,3.01,;-4,6.09,;-4,7.63,;-5.33,8.4,;-6.67,7.63,;-8,8.4,;-6.67,6.09,;-5.33,5.32,;-5.33,3.78,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ncc(F)cc1Cl |r,wU:12.12,wD:15.19,(6.67,-8.4,;5.33,-7.63,;4,-8.4,;5.33,-6.09,;6.67,-6.86,;8,-6.09,;8,-4.55,;6.67,-3.78,;5.33,-4.55,;4,-6.86,;2.67,-6.09,;1.33,-6.86,;,-6.09,;-1.33,-6.86,;-2.67,-6.09,;-2.67,-4.55,;-1.33,-3.78,;,-4.55,;-4,-3.78,;-4,-2.24,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,;-6.67,-3.78,;-5.33,-4.55,;-5.33,-6.09,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1F |r,wD:16.20,13.13,(8,2.82,;6.67,2.05,;5.33,2.82,;4.25,1.74,;5.33,4.36,;6.67,3.59,;8,4.36,;8,5.9,;6.67,6.67,;5.33,5.9,;4,3.59,;2.67,4.36,;1.33,3.59,;,4.36,;,5.9,;-1.33,6.67,;-2.67,5.9,;-2.67,4.36,;-1.33,3.59,;-4,6.67,;-5.33,5.9,;-6.67,6.67,;-6.67,8.21,;-8,8.98,;-5.33,8.98,;-4,8.21,;-2.67,8.98,)|
Fc1ccc(C2CCC(CCNC3CCCC3)CC2)c(F)c1 |(-7.89,2.69,;-6.55,1.93,;-5.22,2.69,;-3.89,1.93,;-3.89,.38,;-2.55,-.38,;-2.55,-1.93,;-1.22,-2.69,;.11,-1.93,;1.45,-2.69,;2.78,-1.93,;4.12,-2.69,;5.45,-1.93,;6.86,-2.55,;7.89,-1.41,;7.12,-.07,;5.61,-.39,;.11,-.38,;-1.22,.38,;-5.22,-.38,;-5.22,-1.93,;-6.55,.38,)|
Cc1cc(F)ccc1[C@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wU:11.12,wD:8.8,(-2.67,3.47,;-4,2.69,;-5.33,3.47,;-6.67,2.69,;-8,3.47,;-6.67,1.15,;-5.33,.38,;-4,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;,-1.15,;1.33,-1.93,;2.67,-1.15,;4,-1.93,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.15,;5.33,.38,;5.33,-2.69,;6.67,-3.47,;4,-3.47,;,.38,;-1.33,1.15,)|
Clc1cccnc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-3.33,6.92,;-4.67,6.15,;-6,6.92,;-7.34,6.15,;-7.34,4.61,;-6,3.84,;-4.67,4.61,;-3.33,3.84,;-2,4.61,;-.67,3.84,;-.67,2.3,;.67,1.53,;2,2.3,;3.33,1.53,;4.67,2.3,;6,1.53,;7.34,2.3,;7.34,3.84,;6,4.61,;4.67,3.84,;-2,1.53,;-3.33,2.3,)|
Clc1cccnc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:10.11,wD:7.7,(-3.33,-1.53,;-4.67,-2.3,;-6,-1.53,;-7.34,-2.3,;-7.34,-3.84,;-6,-4.61,;-4.67,-3.84,;-3.33,-4.61,;-3.33,-6.15,;-2,-6.92,;-.67,-6.15,;.67,-6.92,;2,-6.15,;3.33,-6.92,;4.67,-6.15,;6,-6.92,;7.34,-6.15,;7.34,-4.61,;6,-3.84,;4.67,-4.61,;-.67,-4.61,;-2,-3.84,)|
Fc1cnc(C2CCC(CCNC3(CCOCC3)C3CC3)CC2)c(Cl)c1 |(-8,3.75,;-6.67,2.98,;-6.67,1.44,;-5.33,.67,;-4,1.44,;-2.67,.67,;-2.67,-.87,;-1.33,-1.64,;,-.87,;1.33,-1.64,;2.67,-.87,;4,-1.64,;5.33,-.87,;6.67,-1.64,;8,-.87,;8,.67,;6.67,1.44,;5.33,.67,;5.33,-2.41,;4.56,-3.75,;6.1,-3.75,;,.67,;-1.33,1.44,;-4,2.98,;-2.67,3.75,;-5.33,3.75,)|
COCC1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ncc(F)cc1Cl |r,wD:15.19,12.12,(8,1.92,;6.67,1.15,;5.33,1.92,;5.33,3.46,;6.67,2.69,;8,3.46,;8,5,;6.67,5.77,;5.33,5,;4,2.69,;2.67,3.46,;1.33,2.69,;,3.46,;,5,;-1.33,5.77,;-2.67,5,;-2.67,3.46,;-1.33,2.7,;-4,5.77,;-5.33,5.01,;-6.67,5.77,;-6.67,7.31,;-8,8.08,;-5.33,8.09,;-4,7.31,;-2.67,8.08,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1cc(F)ccc1Cl |r,wD:15.19,12.12,(7.22,2.17,;5.73,2.57,;4.64,1.48,;5.33,4.06,;6.67,3.29,;8,4.06,;8,5.6,;6.67,6.37,;5.33,5.6,;4,3.29,;2.67,4.06,;1.33,3.29,;,4.06,;,5.6,;-1.33,6.37,;-2.67,5.6,;-2.67,4.06,;-1.33,3.29,;-4,6.37,;-5.33,5.6,;-6.67,6.37,;-8,5.6,;-6.67,7.91,;-5.33,8.68,;-4,7.91,;-2.67,8.68,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1cc(F)ccc1Cl |r,wU:12.12,wD:15.19,(7.22,-7.99,;5.73,-7.59,;4.64,-8.68,;5.33,-6.1,;6.67,-6.87,;8,-6.1,;8,-4.56,;6.67,-3.79,;5.33,-4.56,;4,-6.87,;2.67,-6.1,;1.33,-6.87,;,-6.1,;-1.33,-6.87,;-2.67,-6.1,;-2.67,-4.56,;-1.33,-3.79,;,-4.56,;-4,-3.79,;-5.33,-4.56,;-6.67,-3.79,;-8,-4.56,;-6.67,-2.25,;-5.33,-1.48,;-4,-2.25,;-2.67,-1.48,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1F |r,wD:15.19,12.12,(7.22,2.17,;5.73,2.57,;4.64,1.48,;5.33,4.06,;6.67,3.29,;8,4.06,;8,5.6,;6.67,6.37,;5.33,5.6,;4,3.29,;2.67,4.06,;1.33,3.29,;,4.06,;,5.6,;-1.33,6.37,;-2.67,5.6,;-2.67,4.06,;-1.33,3.29,;-4,6.37,;-5.33,5.6,;-6.67,6.37,;-6.67,7.91,;-8,8.68,;-5.33,8.68,;-4,7.91,;-2.67,8.68,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1C(F)(F)F |r,wU:12.12,wD:15.19,(7.22,-9.62,;5.73,-9.22,;4.64,-10.31,;5.33,-7.73,;6.67,-8.5,;8,-7.73,;8,-6.19,;6.67,-5.42,;5.33,-6.19,;4,-8.5,;2.67,-7.73,;1.33,-8.5,;,-7.73,;-1.33,-8.5,;-2.67,-7.73,;-2.67,-6.19,;-1.33,-5.42,;,-6.19,;-4,-5.42,;-5.33,-6.19,;-6.67,-5.42,;-6.67,-3.88,;-8,-3.11,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;-2.67,-1.57,;-1.33,-2.34,)|
Cc1cc(F)c(F)cc1[C@@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wD:9.9,12.13,(-2.67,9.54,;-4,8.77,;-5.33,9.54,;-6.67,8.77,;-8,9.54,;-6.67,7.23,;-8,6.46,;-5.33,6.46,;-4,7.23,;-2.67,6.46,;-1.33,7.23,;,6.46,;,4.92,;1.33,4.15,;2.67,4.92,;4,4.15,;5.33,4.92,;6.67,4.15,;8,4.92,;8,6.46,;6.67,7.23,;5.33,6.46,;5.73,3.43,;7.22,3.03,;4.64,2.34,;-1.33,4.15,;-2.67,4.92,)|
Cc1c(F)c(F)ccc1[C@@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wD:9.9,12.13,(-2.67,8.77,;-4,8,;-5.33,8.77,;-5.33,10.31,;-6.67,8,;-8,8.77,;-6.67,6.46,;-5.33,5.69,;-4,6.46,;-2.67,5.69,;-1.33,6.46,;,5.69,;,4.15,;1.33,3.38,;2.67,4.15,;4,3.38,;5.33,4.15,;6.67,3.38,;8,4.15,;8,5.69,;6.67,6.46,;5.33,5.69,;5.73,2.66,;7.22,2.26,;4.64,1.57,;-1.33,3.38,;-2.67,4.15,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3CCCC3(F)F)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-7.92,3.37,;-6.58,2.6,;-5.25,3.37,;-3.92,2.6,;-3.92,1.06,;-2.58,.29,;-1.25,1.06,;.09,.29,;.09,-1.25,;1.42,-2.02,;2.75,-1.25,;4.09,-2.02,;5.42,-1.25,;5.58,.28,;7.09,.6,;7.86,-.73,;6.83,-1.88,;6.43,-3.37,;7.92,-2.97,;-1.25,-2.02,;-2.58,-1.25,;-5.25,.29,;-5.25,-1.25,;-6.58,1.06,)|
NC(=O)C1(CCCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(7.06,-3.47,;5.73,-2.69,;4.39,-3.47,;5.73,-1.15,;7.26,-1.02,;7.61,.48,;6.29,1.27,;5.13,.26,;4.39,-1.93,;3.06,-1.15,;1.73,-1.93,;.39,-1.15,;.39,.38,;-.94,1.15,;-2.27,.38,;-2.27,-1.15,;-.94,-1.92,;-3.61,1.15,;-4.94,.38,;-6.28,1.15,;-6.28,2.69,;-7.61,3.47,;-4.94,3.47,;-3.61,2.69,;-2.27,3.47,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1Cl |r,wU:12.12,wD:15.19,(6.67,-3.47,;5.33,-2.69,;4,-3.47,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.15,;5.33,.38,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;-1.33,-1.92,;-2.67,-1.15,;-2.67,.38,;-1.33,1.15,;,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-2.67,3.47,)|
Cc1cccnc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-3.33,7.19,;-4.67,6.42,;-6,7.19,;-7.34,6.42,;-7.34,4.88,;-6,4.11,;-4.67,4.88,;-3.33,4.11,;-2,4.88,;-.67,4.11,;-.67,2.57,;.67,1.8,;2,2.57,;3.33,1.8,;4.67,2.57,;6,1.8,;7.34,2.57,;7.34,4.11,;6,4.88,;4.67,4.11,;-2,1.8,;-3.33,2.57,)|
CNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1c(F)cncc1Cl |r,wU:13.13,wD:16.20,(7.49,-6.55,;6.4,-7.64,;4.91,-7.24,;3.82,-8.33,;4.51,-5.75,;6.05,-5.75,;6.82,-4.42,;6.05,-3.08,;4.51,-3.08,;3.74,-4.42,;3.18,-6.52,;1.85,-5.75,;.51,-6.52,;-.82,-5.75,;-2.15,-6.52,;-3.49,-5.75,;-3.49,-4.21,;-2.15,-3.44,;-.82,-4.21,;-4.82,-3.44,;-6.16,-4.21,;-6.16,-5.75,;-7.49,-3.44,;-7.49,-1.9,;-6.16,-1.13,;-4.82,-1.9,;-3.49,-1.13,)|
CCNC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ncc(F)cc1Cl |r,wU:14.14,wD:17.21,(8.67,-9.04,;7.34,-8.27,;6,-9.04,;4.67,-8.27,;3.58,-9.36,;4.67,-6.73,;6,-7.5,;7.34,-6.73,;7.34,-5.19,;6,-4.42,;4.67,-5.19,;3.33,-7.5,;2,-6.73,;.67,-7.5,;-.67,-6.73,;-2,-7.5,;-3.33,-6.73,;-3.33,-5.19,;-2,-4.42,;-.67,-5.19,;-4.67,-4.42,;-6,-5.19,;-7.34,-4.42,;-7.34,-2.88,;-8.67,-2.11,;-6,-2.11,;-4.67,-2.88,;-3.33,-2.11,)|
Fc1cc(Cl)ccc1C1CCC(CCNC2CCCC2)CC1 |(-5.22,-1.93,;-5.22,-.38,;-6.55,.38,;-6.55,1.93,;-7.89,2.69,;-5.22,2.69,;-3.89,1.93,;-3.89,.38,;-2.55,-.38,;-2.55,-1.93,;-1.22,-2.69,;.11,-1.93,;1.45,-2.69,;2.78,-1.93,;4.12,-2.69,;5.45,-1.93,;6.86,-2.55,;7.89,-1.41,;7.12,-.07,;5.61,-.39,;.11,-.38,;-1.22,.38,)|
Fc1ccc(Cl)c(c1)C1CCC(CCNC2CCCC2)CC1 |(-5.89,3.47,;-5.89,1.93,;-7.22,1.15,;-7.22,-.38,;-5.89,-1.15,;-5.89,-2.69,;-4.55,-.38,;-4.55,1.15,;-3.22,-1.15,;-3.22,-2.69,;-1.89,-3.46,;-.55,-2.69,;.78,-3.47,;2.12,-2.69,;3.45,-3.47,;4.78,-2.69,;6.19,-3.32,;7.22,-2.18,;6.45,-.84,;4.94,-1.16,;-.55,-1.15,;-1.89,-.38,)|
Cc1cccnc1C1CCC(CCNC2CCOCC2)CC1 |(-3.33,2.7,;-4.67,1.93,;-6,2.7,;-7.34,1.93,;-7.34,.38,;-6,-.39,;-4.67,.38,;-3.33,-.39,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.7,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;7.34,-.39,;6,.39,;4.67,-.39,;-.67,-.39,;-2,.38,)|
CC1(CCCC1)NCCC1CCC(CC1)c1ncc(F)cc1Cl |(4.67,-.29,;5.44,-1.62,;6.12,-3,;7.64,-2.78,;7.9,-1.26,;6.54,-.54,;4.1,-2.39,;2.77,-1.62,;1.43,-2.39,;.1,-1.62,;-1.23,-2.39,;-2.57,-1.62,;-2.57,-.08,;-1.23,.69,;.1,-.08,;-3.9,.69,;-3.9,2.23,;-5.23,3,;-6.57,2.23,;-7.9,3,;-6.57,.69,;-5.23,-.08,;-5.23,-1.62,)|
CC1(CCCC1)NCCC1CCC(CC1)c1c(F)cccc1Cl |(4,-.29,;4.77,-1.62,;5.45,-3,;6.97,-2.78,;7.23,-1.26,;5.87,-.54,;3.44,-2.39,;2.1,-1.62,;.77,-2.39,;-.57,-1.62,;-1.9,-2.39,;-3.23,-1.62,;-3.23,-.08,;-1.9,.69,;-.57,-.08,;-4.57,.69,;-4.57,2.23,;-3.23,3,;-5.9,3,;-7.23,2.23,;-7.23,.69,;-5.9,-.08,;-5.9,-1.62,)|
Cc1cc(F)ccc1C1CCC(CCNC2(C)CCCC2)CC1 |(-5.24,-1.62,;-5.24,-.08,;-6.57,.69,;-6.57,2.23,;-7.9,3,;-5.24,3,;-3.9,2.23,;-3.9,.69,;-2.57,-.08,;-2.57,-1.62,;-1.23,-2.39,;.1,-1.62,;1.43,-2.39,;2.77,-1.62,;4.1,-2.39,;5.43,-1.62,;4.35,-.53,;6.11,-3,;7.63,-2.79,;7.9,-1.28,;6.54,-.55,;.1,-.08,;-1.23,.69,)|
Fc1cccc(C2CCC(CCNC3CCCCC3)CC2)c1Cl |(-6,3.47,;-6,1.93,;-7.34,1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.46,;-.67,-2.69,;.67,-3.47,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;4.67,-1.15,;-.67,-1.15,;-2,-.38,;-4.67,1.15,;-3.33,1.93,)|
Fc1ccc(C2CCC(CCNC3CCCCC3)CC2)c(F)c1 |(-8,2.69,;-6.67,1.93,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,;-5.33,-.38,;-5.33,-1.93,;-6.67,.38,)|
CNC(=O)C1(CCCC1)NCCC1CCC(CC1)c1ncc(F)cc1Cl |(6.28,-4.31,;5.51,-2.98,;6.28,-1.64,;7.82,-1.64,;5.51,-.31,;6.98,.17,;6.98,1.71,;5.51,2.18,;4.61,.94,;4.18,-1.08,;2.85,-.31,;1.51,-1.08,;.18,-.31,;-1.15,-1.08,;-2.49,-.31,;-2.49,1.23,;-1.15,2,;.18,1.23,;-3.82,2,;-3.82,3.54,;-5.16,4.31,;-6.49,3.54,;-7.82,4.31,;-6.49,2,;-5.16,1.23,;-5.16,-.31,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1ccccc1Cl |(7.34,-2.69,;6,-3.47,;4.67,-2.69,;4.67,-1.15,;6.21,-1.15,;6.98,.18,;6.21,1.51,;4.67,1.51,;3.9,.18,;3.33,-1.93,;2,-1.15,;.67,-1.93,;-.67,-1.15,;-2,-1.92,;-3.33,-1.15,;-3.33,.38,;-2,1.15,;-.67,.38,;-4.67,1.15,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-6,.38,;-6,-1.15,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1ccc(F)cc1F |(8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;6.87,-1.15,;7.64,.18,;6.87,1.51,;5.33,1.51,;4.56,.18,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;-1.33,-1.92,;-2.67,-1.15,;-2.67,.38,;-1.33,1.15,;,.38,;-4,1.15,;-4,2.69,;-5.33,3.47,;-6.67,2.69,;-8,3.47,;-6.67,1.15,;-5.33,.38,;-5.33,-1.15,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1c(F)cccc1Cl |(7.34,-2.7,;6,-3.47,;4.67,-2.7,;4.67,-1.16,;6.21,-1.16,;6.98,.18,;6.21,1.51,;4.67,1.51,;3.9,.18,;3.33,-1.93,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-3.33,.38,;-2,1.15,;-.67,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.47,;-6,3.46,;-7.34,2.69,;-7.34,1.15,;-6,.39,;-6,-1.15,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1cc(F)ccc1Cl |(7.34,-3.47,;6,-4.23,;4.67,-3.47,;4.67,-1.93,;6.21,-1.93,;6.98,-.59,;6.21,.74,;4.67,.74,;3.9,-.59,;3.33,-2.69,;2,-1.93,;.67,-2.69,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-.67,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-6,4.23,;-7.34,1.93,;-7.34,.38,;-6,-.38,;-6,-1.92,)|
Fc1cnc([C@@H]2CC[C@H](CCN[C@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wD:5.4,8.8,12.11,(-8,7.13,;-6.67,6.36,;-6.67,4.82,;-5.33,4.05,;-4,4.82,;-2.67,4.05,;-1.33,4.82,;,4.05,;,2.51,;1.33,1.74,;2.67,2.51,;4,1.74,;5.33,2.51,;6.67,1.74,;8,2.51,;8,4.05,;6.67,4.82,;6.67,6.36,;5.33,4.05,;-1.33,1.74,;-2.67,2.51,;-4,6.36,;-2.67,7.13,;-5.33,7.13,)|
CS(=O)(=O)N1CCC(CC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:16.20,13.13,(9.34,-.39,;8,.38,;8.77,1.72,;7.23,1.72,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.39,;2.67,-2.7,;1.33,-1.93,;,-2.7,;-1.33,-1.93,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.92,;-9.34,2.69,;-6.67,2.69,;-5.33,1.92,;-4,2.7,)|
CC(=O)N1CCC(CC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:15.19,12.12,(9.34,-.39,;8,.38,;8,1.92,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;4,-.39,;5.33,.39,;2.67,-2.7,;1.33,-1.93,;,-2.7,;-1.33,-1.93,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.92,;-9.34,2.69,;-6.67,2.69,;-5.33,1.92,;-4,2.7,)|
CC(=O)N1CCC(C1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(9.01,.18,;8.24,-1.16,;9.01,-2.49,;6.7,-1.16,;5.79,.09,;4.33,-.39,;4.33,-1.93,;5.79,-2.4,;2.99,-2.7,;1.66,-1.93,;.33,-2.7,;-1.01,-1.93,;-1.01,-.39,;-2.34,.38,;-3.67,-.39,;-3.67,-1.93,;-2.34,-2.7,;-5.01,.38,;-6.34,-.38,;-7.67,.38,;-7.67,1.92,;-9.01,2.69,;-6.34,2.69,;-5.01,1.92,;-3.67,2.7,)|
CN1CCC(CC1=O)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(8.67,.38,;7.34,-.39,;6,.39,;4.67,-.39,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;8.67,-2.69,;3.33,-2.7,;2,-1.93,;.67,-2.7,;-.67,-1.93,;-.67,-.39,;-2,.38,;-3.33,-.39,;-3.33,-1.93,;-2,-2.7,;-4.67,.38,;-6,-.38,;-7.34,.38,;-7.34,1.92,;-8.67,2.69,;-6,2.69,;-4.67,1.92,;-3.33,2.7,)|
CC1(CCNC(=O)C1)NCC[C@H]1CC[C@@H](CC1)c1ncc(F)cc1Cl |r,wU:11.11,wD:14.18,(5.33,-8.19,;5.33,-6.65,;6.67,-7.42,;8,-6.65,;8,-5.11,;6.67,-4.34,;6.67,-2.8,;5.33,-5.11,;4,-7.42,;2.67,-6.65,;1.33,-7.42,;,-6.65,;-1.33,-7.42,;-2.67,-6.65,;-2.67,-5.11,;-1.33,-4.34,;,-5.11,;-4,-4.34,;-5.33,-5.11,;-6.67,-4.34,;-6.67,-2.8,;-8,-2.03,;-5.33,-2.03,;-4,-2.8,;-2.67,-2.03,)|
CC1(CCNC(=O)C1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(5.33,-3.08,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;8,,;6.67,.77,;6.67,2.31,;5.33,,;4,-2.31,;2.67,-1.54,;1.33,-2.31,;,-1.54,;;-1.33,.77,;-2.67,,;-2.67,-1.54,;-1.33,-2.31,;-4,.77,;-5.33,,;-6.67,.77,;-6.67,2.31,;-8,3.08,;-5.33,3.08,;-4,2.31,;-2.67,3.08,)|
COCC1(CCNC(=O)C1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wU:16.20,13.13,(8,-2.7,;6.67,-3.47,;5.33,-2.7,;5.33,-1.16,;6.67,-1.93,;8,-1.16,;8,.38,;6.67,1.15,;6.67,2.69,;5.33,.38,;4,-1.93,;2.67,-1.16,;1.33,-1.93,;,-1.16,;-1.33,-1.92,;-2.67,-1.16,;-2.67,.38,;-1.33,1.15,;,.38,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.46,;-5.33,3.46,;-4,2.69,;-2.67,3.47,)|
Cc1cc(F)c(F)cc1[C@H]1CC[C@H](CCN[C@@H]2CCNC(=O)C2)CC1 |r,wU:12.13,wD:9.9,16.16,(-3.33,-2.09,;-4.67,-2.86,;-6,-2.09,;-7.34,-2.86,;-8.67,-2.09,;-7.34,-4.4,;-8.67,-5.17,;-6,-5.17,;-4.67,-4.4,;-3.33,-5.17,;-3.33,-6.71,;-2,-7.48,;-.67,-6.71,;.67,-7.48,;2,-6.71,;3.33,-7.48,;4.67,-6.71,;4.67,-5.17,;6,-4.4,;7.34,-5.17,;7.34,-6.71,;8.67,-7.48,;6,-7.48,;-.67,-5.17,;-2,-4.4,)|
Fc1cnc(nc1)[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-8,6.8,;-6.67,6.03,;-6.67,4.49,;-5.33,3.72,;-4,4.49,;-4,6.03,;-5.33,6.8,;-2.67,3.72,;-1.33,4.49,;,3.72,;,2.18,;1.33,1.41,;2.67,2.18,;4,1.41,;5.33,2.18,;6.67,1.41,;8,2.18,;8,3.72,;6.67,4.49,;5.33,3.72,;-1.33,1.41,;-2.67,2.18,)|
COCC1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ncc(F)cc1Cl |r,wU:12.12,wD:15.19,(8,-7.32,;6.67,-8.09,;5.33,-7.32,;5.33,-5.78,;6.67,-6.55,;8,-5.78,;8,-4.24,;6.67,-3.47,;5.33,-4.24,;4,-6.55,;2.67,-5.78,;1.33,-6.55,;,-5.78,;-1.33,-6.54,;-2.67,-5.78,;-2.67,-4.24,;-1.33,-3.47,;,-4.24,;-4,-3.47,;-5.33,-4.23,;-6.67,-3.47,;-6.67,-1.93,;-8,-1.16,;-5.33,-1.15,;-4,-1.93,;-2.67,-1.16,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1ncccc1Cl |r,wD:15.19,12.12,(6.55,2.17,;5.07,2.57,;3.98,1.48,;4.67,4.06,;6,3.29,;7.34,4.06,;7.34,5.6,;6,6.37,;4.67,5.6,;3.33,3.29,;2,4.06,;.67,3.29,;-.67,4.06,;-.67,5.6,;-2,6.37,;-3.33,5.6,;-3.33,4.06,;-2,3.29,;-4.67,6.37,;-6,5.6,;-7.34,6.37,;-7.34,7.91,;-6,8.68,;-4.67,7.91,;-3.33,8.68,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ncccc1Cl |r,wU:12.12,wD:15.19,(6.55,-7.99,;5.07,-7.59,;3.98,-8.68,;4.67,-6.1,;6,-6.87,;7.34,-6.1,;7.34,-4.56,;6,-3.79,;4.67,-4.56,;3.33,-6.87,;2,-6.1,;.67,-6.87,;-.67,-6.1,;-2,-6.87,;-3.33,-6.1,;-3.33,-4.56,;-2,-3.79,;-.67,-4.56,;-4.67,-3.79,;-6,-4.56,;-7.34,-3.79,;-7.34,-2.25,;-6,-1.48,;-4.67,-2.25,;-3.33,-1.48,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1cccc(F)c1Cl |r,wD:15.19,12.12,(6.55,1.4,;5.07,1.8,;3.98,.71,;4.67,3.29,;6,2.52,;7.34,3.29,;7.34,4.83,;6,5.6,;4.67,4.83,;3.33,2.52,;2,3.29,;.67,2.52,;-.67,3.29,;-.67,4.83,;-2,5.6,;-3.33,4.83,;-3.33,3.29,;-2,2.52,;-4.67,5.6,;-6,4.83,;-7.34,5.6,;-7.34,7.14,;-6,7.91,;-6,9.45,;-4.67,7.14,;-3.33,7.91,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1cccc(F)c1Cl |r,wU:12.12,wD:15.19,(6.55,-8.76,;5.07,-8.36,;3.98,-9.45,;4.67,-6.87,;6,-7.64,;7.34,-6.87,;7.34,-5.33,;6,-4.56,;4.67,-5.33,;3.33,-7.64,;2,-6.87,;.67,-7.64,;-.67,-6.87,;-2,-7.64,;-3.33,-6.87,;-3.33,-5.33,;-2,-4.56,;-.67,-5.33,;-4.67,-4.56,;-6,-5.33,;-7.34,-4.56,;-7.34,-3.02,;-6,-2.25,;-6,-.71,;-4.67,-3.02,;-3.33,-2.25,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@@H](CC1)c1ccc(F)cc1F |r,wU:12.12,wD:15.19,(7.22,-7.99,;5.73,-7.59,;4.64,-8.68,;5.33,-6.1,;6.67,-6.87,;8,-6.1,;8,-4.56,;6.67,-3.79,;5.33,-4.56,;4,-6.87,;2.67,-6.1,;1.33,-6.87,;,-6.1,;-1.33,-6.87,;-2.67,-6.1,;-2.67,-4.56,;-1.33,-3.79,;,-4.56,;-4,-3.79,;-5.33,-4.56,;-6.67,-3.79,;-6.67,-2.25,;-8,-1.48,;-5.33,-1.48,;-4,-2.25,;-2.67,-1.48,)|
Cc1cc(F)c(F)cc1[C@H]1CC[C@H](CCNC2(CCOCC2)C(N)=O)CC1 |r,wU:12.13,wD:9.9,(-2.67,-2.34,;-4,-3.11,;-5.33,-2.34,;-6.67,-3.11,;-8,-2.34,;-6.67,-4.65,;-8,-5.42,;-5.33,-5.42,;-4,-4.65,;-2.67,-5.42,;-2.67,-6.96,;-1.33,-7.73,;,-6.96,;1.33,-7.73,;2.67,-6.96,;4,-7.73,;5.33,-6.96,;6.67,-7.73,;8,-6.96,;8,-5.42,;6.67,-4.65,;5.33,-5.42,;5.73,-8.45,;7.22,-8.85,;4.64,-9.54,;,-5.42,;-1.33,-4.65,)|
NC(=O)C1(CCOCC1)NCC[C@H]1CC[C@H](CC1)c1c(F)cc(F)cc1F |r,wD:15.19,12.12,(7.22,3.03,;5.73,3.43,;4.64,2.34,;5.33,4.92,;6.67,4.15,;8,4.92,;8,6.46,;6.67,7.23,;5.33,6.46,;4,4.15,;2.67,4.92,;1.33,4.15,;,4.92,;,6.46,;-1.33,7.23,;-2.67,6.46,;-2.67,4.92,;-1.33,4.15,;-4,7.23,;-4,8.77,;-2.67,9.54,;-5.33,9.54,;-6.67,8.77,;-8,9.54,;-6.67,7.23,;-5.33,6.46,;-5.33,4.92,)|
Cc1ccncc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-3.33,7.86,;-4.67,7.09,;-6,7.86,;-7.34,7.09,;-7.34,5.55,;-6,4.78,;-4.67,5.55,;-3.33,4.78,;-2,5.55,;-.67,4.78,;-.67,3.24,;.67,2.47,;2,3.24,;3.33,2.47,;4.67,3.24,;6,2.47,;7.34,3.24,;7.34,4.78,;6,5.55,;4.67,4.78,;-2,2.47,;-3.33,3.24,)|
Cc1ccncc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:10.11,wD:7.7,(-3.33,-2.47,;-4.67,-3.24,;-6,-2.47,;-7.34,-3.24,;-7.34,-4.78,;-6,-5.55,;-4.67,-4.78,;-3.33,-5.55,;-3.33,-7.09,;-2,-7.86,;-.67,-7.09,;.67,-7.86,;2,-7.09,;3.33,-7.86,;4.67,-7.09,;6,-7.86,;7.34,-7.09,;7.34,-5.55,;6,-4.78,;4.67,-5.55,;-.67,-5.55,;-2,-4.78,)|
CN(C)C(=O)C1(CCCC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:16.20,13.13,(8,-1.93,;6.67,-2.69,;6.67,-4.23,;5.33,-1.93,;4,-2.69,;5.33,-.38,;6.87,-.25,;7.22,1.25,;5.9,2.04,;4.73,1.03,;4,-1.15,;2.67,-.38,;1.33,-1.15,;,-.38,;,1.15,;-1.33,1.93,;-2.67,1.15,;-2.67,-.38,;-1.33,-1.15,;-4,1.93,;-5.33,1.15,;-6.67,1.93,;-6.67,3.47,;-8,4.23,;-5.33,4.23,;-4,3.47,;-2.67,4.23,)|
NC(=O)C1(CCCOC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:15.19,12.12,(6.67,-3.47,;5.33,-2.69,;4,-3.47,;5.33,-1.15,;6.67,-1.93,;8,-1.15,;8,.38,;6.67,1.15,;5.33,.38,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;,.38,;-1.33,1.15,;-2.67,.38,;-2.67,-1.15,;-1.33,-1.92,;-4,1.15,;-5.33,.38,;-6.67,1.15,;-6.67,2.69,;-8,3.47,;-5.33,3.47,;-4,2.69,;-2.67,3.47,)|
NC(=O)C1(CCOC1)NCC[C@H]1CC[C@H](CC1)c1ccc(F)cc1Cl |r,wD:14.18,11.11,(7.53,-3.28,;6.2,-2.51,;5.11,-3.6,;5.8,-1.02,;4.96,.27,;5.93,1.47,;7.37,.91,;7.29,-.62,;4.47,-1.79,;3.13,-1.02,;1.8,-1.79,;.47,-1.02,;.47,.52,;-.87,1.29,;-2.2,.52,;-2.2,-1.02,;-.87,-1.79,;-3.53,1.29,;-4.87,.52,;-6.2,1.29,;-6.2,2.83,;-7.53,3.6,;-4.87,3.6,;-3.53,2.83,;-2.2,3.6,)|
Cc1cnccc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-3.33,7.65,;-4.67,6.88,;-6,7.65,;-7.34,6.88,;-7.34,5.34,;-6,4.57,;-4.67,5.34,;-3.33,4.57,;-2,5.34,;-.67,4.57,;-.67,3.03,;.67,2.26,;2,3.03,;3.33,2.26,;4.67,3.03,;6,2.26,;7.34,3.03,;7.34,4.57,;6,5.34,;4.67,4.57,;-2,2.26,;-3.33,3.03,)|
Cc1cnccc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:10.11,wD:7.7,(-3.33,-2.26,;-4.67,-3.03,;-6,-2.26,;-7.34,-3.03,;-7.34,-4.57,;-6,-5.34,;-4.67,-4.57,;-3.33,-5.34,;-3.33,-6.88,;-2,-7.65,;-.67,-6.88,;.67,-7.65,;2,-6.88,;3.33,-7.65,;4.67,-6.88,;6,-7.65,;7.34,-6.88,;7.34,-5.34,;6,-4.57,;4.67,-5.34,;-.67,-5.34,;-2,-4.57,)|
Fc1ccc([C@@H]2CC[C@H](CCNC3(CCCC3)C(=O)NCC3CC3)CC2)c(Cl)c1 |r,wD:5.4,8.8,(-9.44,4.13,;-8.11,3.36,;-8.11,1.82,;-6.77,1.05,;-5.44,1.82,;-4.1,1.05,;-2.77,1.82,;-1.44,1.05,;-1.44,-.49,;-.1,-1.26,;1.23,-.49,;2.56,-1.26,;3.9,-.49,;5.43,-.36,;5.78,1.14,;4.46,1.94,;3.3,.93,;3.9,-2.03,;2.56,-2.8,;5.23,-2.8,;6.57,-2.03,;7.9,-2.8,;8.67,-4.13,;9.44,-2.8,;-2.77,-1.26,;-4.1,-.49,;-5.44,3.36,;-4.1,4.13,;-6.77,4.13,)|
Cc1cccnc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:10.11,wD:7.7,(-3.33,-1.8,;-4.67,-2.57,;-6,-1.8,;-7.34,-2.57,;-7.34,-4.11,;-6,-4.88,;-4.67,-4.11,;-3.33,-4.88,;-3.33,-6.42,;-2,-7.19,;-.67,-6.42,;.67,-7.19,;2,-6.42,;3.33,-7.19,;4.67,-6.42,;6,-7.19,;7.34,-6.42,;7.34,-4.88,;6,-4.11,;4.67,-4.88,;-.67,-4.88,;-2,-4.11,)|
Cc1nccnc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-3.33,8.02,;-4.67,7.25,;-6,8.02,;-7.34,7.25,;-7.34,5.71,;-6,4.94,;-4.67,5.71,;-3.33,4.94,;-2,5.71,;-.67,4.94,;-.67,3.4,;.67,2.63,;2,3.4,;3.33,2.63,;4.67,3.4,;6,2.63,;7.34,3.4,;7.34,4.94,;6,5.71,;4.67,4.94,;-2,2.63,;-3.33,3.4,)|
Oc1cccc(c1)[C@@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wD:7.7,10.11,(-6,9.26,;-6,7.72,;-7.34,6.95,;-7.34,5.41,;-6,4.64,;-4.67,5.41,;-4.67,6.95,;-3.33,4.64,;-2,5.41,;-.67,4.64,;-.67,3.1,;.67,2.33,;2,3.1,;3.33,2.33,;4.67,3.1,;6,2.33,;7.34,3.1,;7.34,4.64,;6,5.41,;4.67,4.64,;-2,2.33,;-3.33,3.1,)|
Oc1cccc(c1)[C@H]1CC[C@H](CCNC2CCOCC2)CC1 |r,wU:10.11,wD:7.7,(-6,-2.33,;-6,-3.87,;-7.34,-4.64,;-7.34,-6.18,;-6,-6.95,;-4.67,-6.18,;-4.67,-4.64,;-3.33,-6.95,;-3.33,-8.49,;-2,-9.26,;-.67,-8.49,;.67,-9.26,;2,-8.49,;3.33,-9.26,;4.67,-8.49,;6,-9.26,;7.34,-8.49,;7.34,-6.95,;6,-6.18,;4.67,-6.95,;-.67,-6.95,;-2,-6.18,)|
Cc1c(cccc1[C@@H]1CC[C@H](CCNC2CCOCC2)CC1)C#N |r,wD:7.7,10.11,(-4.67,2.66,;-4.67,4.2,;-6,4.97,;-6,6.51,;-4.67,7.28,;-3.33,6.51,;-3.33,4.97,;-2,4.2,;-.67,4.97,;.67,4.2,;.67,2.66,;2,1.89,;3.33,2.66,;4.67,1.89,;6,2.66,;7.34,1.89,;8.67,2.66,;8.67,4.2,;7.34,4.97,;6,4.2,;-.67,1.89,;-2,2.66,;-7.34,4.2,;-8.67,3.43,)|
Cc1c(cccc1[C@H]1CC[C@H](CCNC2CCOCC2)CC1)C#N |r,wU:10.11,wD:7.7,(-4.67,-6.51,;-4.67,-4.97,;-6,-4.2,;-6,-2.66,;-4.67,-1.89,;-3.33,-2.66,;-3.33,-4.2,;-2,-4.97,;-2,-6.51,;-.67,-7.28,;.67,-6.51,;2,-7.28,;3.33,-6.51,;4.67,-7.28,;6,-6.51,;7.34,-7.28,;8.67,-6.51,;8.67,-4.97,;7.34,-4.2,;6,-4.97,;.67,-4.97,;-.67,-4.2,;-7.34,-4.97,;-8.67,-5.74,)|
Cc1cccnc1C1CCC(CCNC2CCCC2)CC1 |(-5.89,-1.93,;-5.89,-.38,;-7.22,.38,;-7.22,1.93,;-5.89,2.69,;-4.55,1.93,;-4.55,.38,;-3.22,-.38,;-3.22,-1.93,;-1.89,-2.69,;-.55,-1.93,;.78,-2.69,;2.12,-1.93,;3.45,-2.69,;4.78,-1.93,;6.19,-2.55,;7.22,-1.41,;6.45,-.07,;4.94,-.39,;-.55,-.38,;-1.89,.38,)|
Cc1cnccc1C1CCC(CCNC2CCOCC2)CC1 |(-6,-1.93,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;6,-2.69,;7.34,-1.93,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,-.38,;-2,.38,)|
CC1(CCCC1)NCCC1CCC(CC1)c1ccccc1Cl |(4,-.29,;4.77,-1.62,;5.45,-3,;6.97,-2.78,;7.23,-1.26,;5.87,-.54,;3.44,-2.39,;2.1,-1.62,;.77,-2.39,;-.57,-1.62,;-1.9,-2.39,;-3.23,-1.62,;-3.23,-.08,;-1.9,.69,;-.57,-.08,;-4.57,.69,;-4.57,2.23,;-5.9,3,;-7.23,2.23,;-7.23,.69,;-5.9,-.08,;-5.9,-1.62,)|
CC1(CCCC1)NCCC1CCC(CC1)c1ccc(F)cc1F |(4.67,-.29,;5.44,-1.62,;6.12,-3,;7.64,-2.78,;7.9,-1.26,;6.54,-.54,;4.1,-2.39,;2.77,-1.62,;1.43,-2.39,;.1,-1.62,;-1.23,-2.39,;-2.57,-1.62,;-2.57,-.08,;-1.23,.69,;.1,-.08,;-3.9,.69,;-3.9,2.23,;-5.23,3,;-6.57,2.23,;-7.9,3,;-6.57,.69,;-5.23,-.08,;-5.23,-1.62,)|
CC1(CCCC1)NCCC1CCC(CC1)c1ncccc1Cl |(4,-.29,;4.77,-1.62,;5.45,-3,;6.97,-2.78,;7.23,-1.26,;5.87,-.54,;3.44,-2.39,;2.1,-1.62,;.77,-2.39,;-.57,-1.62,;-1.9,-2.39,;-3.23,-1.62,;-3.23,-.08,;-1.9,.69,;-.57,-.08,;-4.57,.69,;-4.57,2.23,;-5.9,3,;-7.23,2.23,;-7.23,.69,;-5.9,-.08,;-5.9,-1.62,)|
Cc1cccnc1C1CCC(CCNC2(C)CCCC2)CC1 |(-5.9,-1.62,;-5.9,-.08,;-7.23,.69,;-7.23,2.23,;-5.9,3,;-4.57,2.23,;-4.57,.69,;-3.23,-.08,;-3.23,-1.62,;-1.9,-2.39,;-.57,-1.62,;.77,-2.39,;2.1,-1.62,;3.44,-2.39,;4.77,-1.62,;4,-.29,;5.45,-3,;6.97,-2.78,;7.23,-1.26,;5.87,-.54,;-.57,-.08,;-1.9,.69,)|
NC(=O)C1(CCCC1)NCCC1CCC(CC1)c1ccccc1Cl |(6.39,-3.31,;5.06,-2.54,;3.97,-3.62,;5.06,-1,;6.59,-.86,;6.94,.64,;5.62,1.43,;4.46,.42,;3.73,-1.77,;2.39,-1,;1.06,-1.77,;-.27,-1,;-1.61,-1.77,;-2.94,-1,;-2.94,.54,;-1.61,1.31,;-.27,.54,;-4.28,1.31,;-4.28,2.85,;-5.61,3.62,;-6.94,2.85,;-6.94,1.31,;-5.61,.54,;-5.61,-1,)|
NC(=O)C1(CCCC1)NCCC1CCC(CC1)c1ccc(F)cc1F |(7.06,-3.31,;5.73,-2.54,;4.64,-3.62,;5.73,-1,;7.26,-.86,;7.61,.64,;6.29,1.43,;5.13,.42,;4.39,-1.77,;3.06,-1,;1.73,-1.77,;.39,-1,;-.94,-1.77,;-2.27,-1,;-2.27,.54,;-.94,1.31,;.39,.54,;-3.61,1.31,;-3.61,2.85,;-4.94,3.62,;-6.28,2.85,;-7.61,3.62,;-6.28,1.31,;-4.94,.54,;-4.94,-1,)|
CC1(CCCC1)NCCC1CCC(CC1)c1cc(F)ccc1Cl |(3.68,-1.3,;4.77,-2.39,;5.44,-3.77,;6.96,-3.56,;7.24,-2.05,;5.88,-1.32,;3.43,-3.16,;2.1,-2.39,;.77,-3.16,;-.57,-2.39,;-1.9,-3.16,;-3.23,-2.39,;-3.23,-.85,;-1.9,-.08,;-.57,-.85,;-4.57,-.08,;-4.57,1.46,;-5.9,2.23,;-5.9,3.77,;-7.24,1.46,;-7.24,-.08,;-5.9,-.85,;-5.9,-2.39,)|
NC(=O)C1(CCCC1)NCCC1CCC(CC1)c1cc(F)ccc1Cl |(6.39,-3.95,;5.06,-3.18,;4.29,-4.52,;5.06,-1.64,;6.59,-1.51,;6.94,-.01,;5.62,.78,;4.46,-.22,;3.73,-2.41,;2.39,-1.64,;1.06,-2.41,;-.27,-1.64,;-1.61,-2.41,;-2.94,-1.64,;-2.94,-.1,;-1.61,.67,;-.27,-.1,;-4.28,.67,;-4.28,2.21,;-5.61,2.98,;-5.61,4.52,;-6.94,2.21,;-6.94,.67,;-5.61,-.1,;-5.61,-1.64,)|
Clc1cccnc1C1CCC(CCNC2CCCCC2)CC1 |(-6,-1.93,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;6,-2.69,;7.34,-1.93,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,-.38,;-2,.38,)|
Cc1cccnc1C1CCC(CCNC2CCCCC2)CC1 |(-6,-1.93,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;6,-2.69,;7.34,-1.93,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,-.38,;-2,.38,)|
CC1(CCOCC1)NCCC1CCC(CC1)c1ccccc1Cl |(4.85,-3.08,;4.85,-1.54,;6.39,-1.54,;7.16,-.21,;6.39,1.13,;4.85,1.13,;4.08,-.21,;3.51,-2.31,;2.18,-1.54,;.85,-2.31,;-.49,-1.54,;-1.82,-2.31,;-3.16,-1.54,;-3.16,,;-1.82,.77,;-.49,,;-4.49,.77,;-4.49,2.31,;-5.82,3.08,;-7.16,2.31,;-7.16,.77,;-5.82,,;-5.82,-1.54,)|
CC1(CCOCC1)NCCC1CCC(CC1)c1ncc(F)cc1Cl |(5.51,-3.08,;5.51,-1.54,;7.05,-1.54,;7.82,-.21,;7.05,1.13,;5.51,1.13,;4.74,-.21,;4.18,-2.31,;2.85,-1.54,;1.51,-2.31,;.18,-1.54,;-1.15,-2.31,;-2.49,-1.54,;-2.49,,;-1.15,.77,;.18,,;-3.82,.77,;-3.82,2.31,;-5.16,3.08,;-6.49,2.31,;-7.82,3.08,;-6.49,.77,;-5.16,,;-5.16,-1.54,)|
CC1(CCOCC1)NCCC1CCC(CC1)c1ncccc1Cl |(4.85,-3.08,;4.85,-1.54,;6.39,-1.54,;7.16,-.21,;6.39,1.13,;4.85,1.13,;4.08,-.21,;3.51,-2.31,;2.18,-1.54,;.85,-2.31,;-.49,-1.54,;-1.82,-2.31,;-3.16,-1.54,;-3.16,,;-1.82,.77,;-.49,,;-4.49,.77,;-4.49,2.31,;-5.82,3.08,;-7.16,2.31,;-7.16,.77,;-5.82,,;-5.82,-1.54,)|
Cc1cccnc1C1CCC(CCNC2(C)CCOCC2)CC1 |(-5.82,-1.54,;-5.82,,;-7.16,.77,;-7.16,2.31,;-5.82,3.08,;-4.49,2.31,;-4.49,.77,;-3.16,,;-3.16,-1.54,;-1.82,-2.31,;-.49,-1.54,;.85,-2.31,;2.18,-1.54,;3.51,-2.31,;4.85,-1.54,;4.85,-3.08,;6.39,-1.54,;7.16,-.21,;6.39,1.13,;4.85,1.13,;4.08,-.21,;-.49,,;-1.82,.77,)|
Cc1cc(F)ccc1C1CCC(CCNC2CCCCC2)CC1 |(-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-6.67,1.93,;-8,2.69,;-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;6.67,-2.69,;8,-1.93,;8,-.38,;6.67,.38,;5.33,-.38,;,-.38,;-1.33,.38,)|
Fc1ccc(Cl)c(c1)C1CCC(CCNC2CCCCC2)CC1 |(-6,3.47,;-6,1.93,;-7.34,1.15,;-7.34,-.38,;-6,-1.15,;-6,-2.69,;-4.67,-.38,;-4.67,1.15,;-3.33,-1.15,;-3.33,-2.69,;-2,-3.46,;-.67,-2.69,;.67,-3.47,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;4.67,-1.15,;-.67,-1.15,;-2,-.38,)|
Cc1cnccc1C1CCC(CCNC2CCCCC2)CC1 |(-6,-1.93,;-6,-.38,;-7.34,.38,;-7.34,1.93,;-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;6,-2.69,;7.34,-1.93,;7.34,-.38,;6,.38,;4.67,-.38,;-.67,-.38,;-2,.38,)|
Cc1cc(F)ccc1C1CCC(CCNC2(C)CCOCC2)CC1 |(-5.16,-1.54,;-5.16,,;-6.49,.77,;-6.49,2.31,;-7.82,3.08,;-5.16,3.08,;-3.82,2.31,;-3.82,.77,;-2.49,,;-2.49,-1.54,;-1.15,-2.31,;.18,-1.54,;1.51,-2.31,;2.85,-1.54,;4.18,-2.31,;5.51,-1.54,;5.51,-3.08,;7.05,-1.54,;7.82,-.21,;7.05,1.13,;5.51,1.13,;4.74,-.21,;.18,,;-1.15,.77,)|
CNC(=O)C1(CCCC1)NCCC1CCC(CC1)c1ncccc1Cl |(5.62,-4.31,;4.85,-2.98,;5.62,-1.64,;7.16,-1.64,;4.85,-.31,;6.31,.17,;6.31,1.71,;4.85,2.18,;3.94,.94,;3.51,-1.08,;2.18,-.31,;.85,-1.08,;-.49,-.31,;-1.82,-1.08,;-3.16,-.31,;-3.16,1.23,;-1.82,2,;-.49,1.23,;-4.49,2,;-4.49,3.54,;-5.82,4.31,;-7.16,3.54,;-7.16,2,;-5.82,1.23,;-5.82,-.31,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1cccc(F)c1Cl |(7.34,-3.47,;6,-4.24,;4.67,-3.47,;4.67,-1.93,;6.21,-1.93,;6.98,-.59,;6.21,.74,;4.67,.74,;3.9,-.59,;3.33,-2.7,;2,-1.93,;.67,-2.7,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;-4.67,.38,;-6,-.39,;-7.34,.38,;-7.34,1.93,;-6,2.7,;-6,4.24,;-4.67,1.93,;-3.33,2.7,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1ncc(F)cc1Cl |(8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;6.87,-1.15,;7.64,.18,;6.87,1.51,;5.33,1.51,;4.56,.18,;4,-1.93,;2.67,-1.15,;1.33,-1.93,;,-1.15,;-1.33,-1.92,;-2.67,-1.15,;-2.67,.38,;-1.33,1.15,;,.38,;-4,1.15,;-4,2.69,;-5.33,3.47,;-6.67,2.69,;-8,3.47,;-6.67,1.15,;-5.33,.38,;-5.33,-1.15,)|
COCC1(CCOCC1)NCCC1CCC(CC1)c1cnccc1C |(7.34,-2.69,;6,-3.47,;4.67,-2.69,;4.67,-1.15,;6.21,-1.15,;6.98,.18,;6.21,1.51,;4.67,1.51,;3.9,.18,;3.33,-1.93,;2,-1.15,;.67,-1.93,;-.67,-1.15,;-2,-1.93,;-3.33,-1.15,;-3.33,.38,;-2,1.15,;-.67,.38,;-4.67,1.15,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-6,.39,;-6,-1.15,)|
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Fc1cnc([C@H]2CC[C@H](CCN[C@H]3CCNC(=O)C3)CC2)c(Cl)c1 |r,wU:8.8,wD:5.4,12.11,(-8,-1.74,;-6.67,-2.51,;-6.67,-4.05,;-5.33,-4.82,;-4,-4.05,;-2.67,-4.82,;-2.67,-6.36,;-1.33,-7.13,;,-6.36,;1.33,-7.13,;2.67,-6.36,;4,-7.13,;5.33,-6.36,;6.67,-7.13,;8,-6.36,;8,-4.82,;6.67,-4.05,;6.67,-2.51,;5.33,-4.82,;,-4.82,;-1.33,-4.05,;-4,-2.51,;-2.67,-1.74,;-5.33,-1.74,)|
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[H][C@]12CN(CCN3CCOCC3)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:21.23,24.30,1.0,13.15,(8.25,-5.32,;7.14,-4.25,;8.39,-3.34,;7.92,-1.87,;8.84,-.63,;10.37,-.79,;11.27,.44,;10.67,1.86,;11.56,3.09,;13.1,2.93,;13.73,1.53,;12.81,.28,;6.38,-1.87,;5.89,-3.34,;4.87,-2.19,;4.64,-4.24,;3.73,-2.99,;2.21,-3.15,;1.58,-4.55,;2.49,-5.81,;4.01,-5.64,;.05,-4.71,;-.85,-3.47,;-2.39,-3.63,;-3.02,-5.04,;-2.11,-6.29,;-.57,-6.13,;-4.56,-5.19,;-5.45,-3.94,;-5.19,-6.6,;5.13,-5.71,;6.67,-5.71,;4.29,-6.99,;2.75,-6.89,;1.89,-8.16,;2.59,-9.56,;4.12,-9.65,;4.97,-8.37,)|
[H][C@]12CN(CC3CC3)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccc(F)cc1 |wU:17.19,20.26,9.11,1.0,(11.12,-5.64,;10.02,-4.57,;11.26,-3.66,;10.79,-2.21,;11.72,-.96,;13.24,-1.13,;14.47,-2.03,;14.65,-.51,;9.25,-2.2,;8.77,-3.66,;7.74,-2.52,;7.53,-4.57,;6.62,-3.32,;5.09,-3.48,;4.46,-4.89,;5.36,-6.13,;6.9,-5.97,;2.93,-5.05,;2.03,-3.8,;.5,-3.97,;-.13,-5.36,;.78,-6.62,;2.31,-6.46,;-1.67,-5.53,;-2.31,-6.94,;-2.58,-4.27,;8.01,-6.04,;9.55,-6.04,;7.16,-7.32,;5.62,-7.23,;4.78,-8.51,;5.46,-9.9,;4.69,-11.23,;6.99,-9.99,;7.86,-8.7,)|
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[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)C1CCCCCCCC1)N(C2)c1ccccc1
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)C1CCCCCCCCC1)N(C2)c1ccccc1
[H][C@]12CN(C)C[C@@]1([H])C1(CCN(CC1)[C@H]1CC[C@]3([H])CCCC[C@]3([H])C1)N(C2)c1ccccc1
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[H][C@]12CN(CCCC)C[C@@]1([H])C1(CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C)N(C2)c1ccccc1 |wU:17.18,20.25,1.0,9.10,(8.36,-6.3,;7.25,-5.22,;8.5,-4.32,;8.04,-2.86,;8.95,-1.61,;10.48,-1.78,;11.39,-.54,;12.91,-.71,;6.5,-2.85,;6.01,-4.32,;4.98,-3.18,;4.76,-5.22,;4.13,-6.62,;2.61,-6.79,;1.7,-5.54,;2.33,-4.13,;3.85,-3.97,;.17,-5.71,;-.74,-4.46,;-2.27,-4.62,;-2.9,-6.02,;-2,-7.27,;-.46,-7.11,;-4.44,-6.18,;-5.07,-7.58,;-5.33,-4.92,;5.25,-6.69,;6.79,-6.69,;4.4,-7.97,;2.86,-7.88,;2.01,-9.16,;2.7,-10.55,;4.24,-10.64,;5.09,-9.35,)|
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COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c(C)noc3C)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cc(C)on3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3noc(n3)C(C)(C)C)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ccccn3)c2=O)C(C)C)c1
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
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COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cnn[nH]3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncn(C)n3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3noc(C)n3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3nc(C)no3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3ccnc3C)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3ccnc3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cocn3)c2=O)C(C)C)c1
COCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
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COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3c[nH]cn3)c2=O)C(C)C)c1
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COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncon3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cn3cncn3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cccs3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3nnn[nH]3)c2=O)C(C)C)c1
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COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3ncsn3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3n[nH]c(=O)[nH]3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cnccn3)c2=O)C(C)C)c1
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cscn3)c2=O)C(C)C)c1
COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 |r|
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CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(52.76,-21.76,;51.95,-20.45,;52.68,-19.09,;50.41,-20.49,;49.6,-19.19,;48.05,-19.23,;47.33,-20.58,;48.14,-21.89,;49.67,-21.85,;45.79,-20.64,;45.06,-21.99,;43.53,-22.04,;42.71,-20.74,;43.43,-19.38,;44.98,-19.33,;41.17,-20.79,;40.23,-19.58,;38.78,-20.1,;37.51,-19.25,;36.13,-19.92,;34.86,-19.07,;33.48,-19.74,;34.96,-17.54,;38.84,-21.64,;37.73,-22.71,;38.11,-24.2,;39.59,-24.62,;40.69,-23.55,;40.32,-22.07,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCN)c2ccccc12
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1CCc2ccccc12 |r,wD:6.9,3.2,(8.81,-19.41,;10.12,-18.58,;11.48,-19.3,;10.05,-17.04,;11.35,-16.22,;11.29,-14.67,;9.93,-13.96,;8.62,-14.79,;8.69,-16.32,;9.85,-12.42,;8.49,-11.71,;8.42,-10.18,;9.71,-9.35,;11.08,-10.05,;11.15,-11.6,;9.64,-7.81,;10.84,-6.85,;10.3,-5.41,;8.76,-5.49,;7.68,-4.4,;6.19,-4.79,;5.79,-6.28,;6.88,-7.36,;8.35,-6.97,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1ccc2ccccc12 |r,wD:6.9,3.2,(20.66,-19.76,;21.96,-18.93,;23.33,-19.65,;21.9,-17.39,;23.2,-16.56,;23.13,-15.02,;21.77,-14.31,;20.47,-15.14,;20.53,-16.67,;21.69,-12.77,;20.33,-12.06,;20.26,-10.53,;21.56,-9.69,;22.93,-10.4,;23,-11.94,;21.48,-8.16,;22.69,-7.2,;22.14,-5.76,;20.61,-5.84,;19.52,-4.75,;18.04,-5.14,;17.64,-6.63,;18.72,-7.71,;20.19,-7.32,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN)c2ccccc12 |r,wD:6.9,3.2,(34,-19.87,;35.3,-19.05,;36.67,-19.77,;35.24,-17.51,;36.54,-16.68,;36.48,-15.14,;35.12,-14.43,;33.81,-15.26,;33.88,-16.79,;35.04,-12.89,;33.68,-12.18,;33.61,-10.65,;34.9,-9.81,;36.27,-10.52,;36.34,-12.06,;34.83,-8.28,;36.03,-7.32,;35.49,-5.88,;36.33,-4.59,;37.86,-4.68,;33.95,-5.95,;32.87,-4.86,;31.38,-5.25,;30.98,-6.74,;32.07,-7.83,;33.54,-7.44,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCN)c2ccccc12
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(O)CC2)c2ccccc12 |r,wD:6.9,3.2,(75.58,-45.79,;74.76,-44.48,;75.5,-43.12,;73.22,-44.52,;72.41,-43.21,;70.87,-43.26,;70.14,-44.61,;70.95,-45.93,;72.49,-45.88,;68.6,-44.67,;67.87,-46.02,;66.34,-46.07,;65.52,-44.77,;66.24,-43.41,;67.79,-43.36,;63.98,-44.82,;63.04,-43.61,;61.59,-44.13,;60.32,-43.28,;58.94,-43.95,;57.67,-43.09,;56.29,-43.76,;56.18,-45.29,;54.8,-45.96,;57.45,-46.15,;58.84,-45.48,;61.65,-45.67,;60.54,-46.74,;60.91,-48.24,;62.4,-48.65,;63.5,-47.58,;63.13,-46.1,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC[C@@H](O)C2)c2ccccc12 |r,wD:6.9,3.2,22.24,(23.74,-8.52,;22.92,-7.21,;23.66,-5.85,;21.38,-7.25,;20.57,-5.95,;19.03,-5.99,;18.3,-7.34,;19.12,-8.66,;20.65,-8.61,;16.76,-7.4,;16.04,-8.75,;14.5,-8.81,;13.68,-7.5,;14.4,-6.14,;15.95,-6.09,;12.15,-7.56,;11.2,-6.34,;9.75,-6.87,;8.48,-6.01,;7.1,-6.68,;5.74,-5.97,;4.64,-7.04,;5.31,-8.41,;4.59,-9.77,;6.83,-8.2,;9.81,-8.41,;8.71,-9.47,;9.08,-10.97,;10.56,-11.38,;11.66,-10.31,;11.29,-8.84,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNCCO)c2ccccc12 |r,wD:6.9,3.2,(27.23,-22.87,;26.41,-21.55,;27.15,-20.19,;24.87,-21.59,;24.06,-20.29,;22.52,-20.33,;21.79,-21.68,;22.61,-23,;24.14,-22.95,;20.25,-21.74,;19.53,-23.1,;17.99,-23.15,;17.17,-21.84,;17.9,-20.48,;19.44,-20.43,;15.64,-21.9,;14.69,-20.68,;13.25,-21.21,;11.97,-20.35,;10.59,-21.03,;9.32,-20.17,;7.94,-20.84,;6.67,-19.99,;13.3,-22.75,;12.2,-23.82,;12.57,-25.31,;14.06,-25.72,;15.16,-24.65,;14.78,-23.18,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)[C@@H](N)CCCNC(N)=N)c2ccccc12 |r,wU:22.24,wD:6.9,3.2,(63.55,-38.33,;62.74,-37.01,;63.48,-35.65,;61.19,-37.05,;60.38,-35.75,;58.84,-35.79,;58.11,-37.14,;58.92,-38.46,;60.46,-38.41,;56.57,-37.2,;55.84,-38.56,;54.3,-38.61,;53.48,-37.3,;54.2,-35.94,;55.75,-35.89,;51.94,-37.36,;51,-36.14,;49.55,-36.67,;48.27,-35.81,;46.89,-36.48,;45.62,-35.63,;45.72,-34.09,;44.24,-36.3,;44.13,-37.84,;42.96,-35.45,;41.58,-36.12,;40.3,-35.26,;38.92,-35.94,;37.65,-35.08,;36.27,-35.76,;37.75,-33.55,;49.61,-38.21,;48.5,-39.28,;48.87,-40.77,;50.36,-41.19,;51.46,-40.12,;51.09,-38.64,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CNC(=O)CCCCCN)c2ccccc12 |r,wD:6.9,3.2,(30.71,-51.51,;29.9,-50.19,;30.64,-48.83,;28.36,-50.23,;27.55,-48.92,;26,-48.97,;25.27,-50.32,;26.09,-51.64,;27.62,-51.59,;23.73,-50.38,;23,-51.74,;21.47,-51.79,;20.64,-50.48,;21.37,-49.12,;22.92,-49.07,;19.11,-50.54,;18.16,-49.32,;16.71,-49.84,;15.44,-48.99,;14.06,-49.66,;12.78,-48.81,;12.89,-47.27,;11.4,-49.48,;10.13,-48.62,;8.75,-49.3,;7.47,-48.44,;6.09,-49.12,;4.82,-48.26,;16.77,-51.39,;15.66,-52.46,;16.04,-53.95,;17.52,-54.37,;18.62,-53.29,;18.25,-51.82,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(C(N)=O)c2ccccc12 |r,wD:6.9,3.2,(24.31,-8.5,;23.5,-7.18,;24.23,-5.83,;21.96,-7.23,;21.15,-5.92,;19.6,-5.96,;18.88,-7.32,;19.69,-8.63,;21.22,-8.59,;17.34,-7.38,;16.61,-8.73,;15.08,-8.78,;14.26,-7.48,;14.98,-6.11,;16.53,-6.06,;12.72,-7.53,;11.78,-6.31,;10.33,-6.84,;9.06,-5.98,;7.68,-6.66,;9.16,-4.45,;10.39,-8.38,;9.29,-9.45,;9.66,-10.94,;11.14,-11.36,;12.24,-10.29,;11.87,-8.81,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(\C=N\O)c2ccccc12 |r,wD:6.9,3.2,(48.18,-8.94,;47.37,-7.63,;48.1,-6.27,;45.82,-7.67,;45.02,-6.36,;43.47,-6.41,;42.74,-7.76,;43.56,-9.07,;45.09,-9.03,;41.21,-7.82,;40.48,-9.17,;38.95,-9.22,;38.13,-7.92,;38.85,-6.55,;40.39,-6.51,;36.59,-7.97,;35.65,-6.76,;34.2,-7.28,;32.93,-6.43,;32.98,-4.9,;31.76,-4.04,;34.26,-8.82,;33.15,-9.89,;33.52,-11.38,;35.01,-11.8,;36.11,-10.73,;35.74,-9.25,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCCC2)c2ccccc12 |r,wD:6.9,3.2,(24.25,-47.25,;23.44,-45.94,;24.17,-44.58,;21.89,-45.98,;21.09,-44.68,;19.54,-44.72,;18.81,-46.07,;19.63,-47.39,;21.16,-47.34,;17.27,-46.13,;16.55,-47.48,;15.01,-47.53,;14.19,-46.23,;14.92,-44.87,;16.46,-44.82,;12.66,-46.28,;11.71,-45.07,;10.26,-45.59,;8.99,-44.74,;7.61,-45.41,;6.25,-44.7,;5.15,-45.76,;5.82,-47.14,;7.34,-46.93,;10.32,-47.13,;9.22,-48.2,;9.59,-49.7,;11.08,-50.11,;12.17,-49.04,;11.8,-47.56,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(77.5,-21.25,;76.69,-19.93,;77.42,-18.58,;75.15,-19.98,;74.34,-18.67,;72.79,-18.71,;72.06,-20.07,;72.88,-21.38,;74.41,-21.34,;70.53,-20.13,;69.8,-21.48,;68.27,-21.53,;67.45,-20.23,;68.17,-18.86,;69.71,-18.81,;65.91,-20.28,;64.97,-19.06,;63.52,-19.59,;62.24,-18.73,;60.87,-19.41,;59.59,-18.55,;58.21,-19.23,;56.94,-18.37,;58.11,-20.76,;63.58,-21.13,;62.47,-22.2,;62.84,-23.69,;64.33,-24.11,;65.43,-23.04,;65.06,-21.56,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CCCNC(N)=S)c2ccccc12 |r,wD:6.9,3.2,(27.01,-36.98,;26.19,-35.66,;26.93,-34.3,;24.65,-35.71,;23.85,-34.4,;22.3,-34.44,;21.57,-35.79,;22.39,-37.11,;23.92,-37.06,;20.03,-35.85,;19.31,-37.21,;17.77,-37.26,;16.95,-35.95,;17.67,-34.59,;19.22,-34.54,;15.42,-36.01,;14.47,-34.79,;13.02,-35.32,;11.75,-34.46,;10.37,-35.14,;9.1,-34.28,;7.72,-34.96,;6.45,-34.1,;5.07,-34.77,;6.55,-32.57,;13.08,-36.86,;11.98,-37.93,;12.35,-39.42,;13.83,-39.84,;14.93,-38.76,;14.56,-37.29,)|
CCNCC(=O)NCc1cn(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wD:17.17,20.24,(39.61,-48.97,;40.88,-49.83,;42.26,-49.15,;43.53,-50.01,;44.91,-49.33,;45.02,-47.8,;46.19,-50.19,;47.56,-49.51,;48.84,-50.37,;50.29,-49.84,;51.23,-51.06,;52.77,-51,;53.59,-52.31,;55.12,-52.26,;55.85,-50.9,;55.04,-49.59,;53.49,-49.64,;57.39,-50.84,;58.11,-49.49,;59.66,-49.45,;60.47,-50.76,;59.74,-52.11,;58.2,-52.16,;62.01,-50.71,;62.82,-52.03,;62.75,-49.36,;50.38,-52.34,;50.75,-53.81,;49.65,-54.89,;48.16,-54.47,;47.79,-52.98,;48.9,-51.91,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CO)c2ccccc12 |r,wD:6.9,3.2,(63.96,-12.85,;63.15,-11.53,;63.89,-10.17,;61.61,-11.57,;60.8,-10.27,;59.26,-10.31,;58.53,-11.66,;59.34,-12.98,;60.88,-12.93,;56.99,-11.72,;56.27,-13.07,;54.73,-13.13,;53.91,-11.82,;54.63,-10.46,;56.18,-10.41,;52.38,-11.88,;51.43,-10.66,;49.98,-11.19,;48.71,-10.33,;48.82,-8.8,;50.04,-12.73,;48.94,-13.79,;49.31,-15.29,;50.79,-15.7,;51.89,-14.63,;51.52,-13.16,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CCC(N)CC2)c2ccccc12 |r,wD:6.9,3.2,(50.68,-46.35,;49.87,-45.03,;50.61,-43.68,;48.33,-45.08,;47.52,-43.77,;45.97,-43.81,;45.24,-45.17,;46.06,-46.48,;47.59,-46.44,;43.7,-45.23,;42.98,-46.58,;41.44,-46.63,;40.62,-45.33,;41.34,-43.96,;42.89,-43.91,;39.09,-45.38,;38.14,-44.16,;36.69,-44.69,;35.42,-43.83,;34.04,-44.51,;32.77,-43.65,;31.4,-44.32,;31.28,-45.85,;29.9,-46.52,;32.56,-46.71,;33.94,-46.04,;36.75,-46.23,;35.65,-47.3,;36.02,-48.79,;37.5,-49.21,;38.6,-48.14,;38.23,-46.66,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1cc(CN2CC(O)C2)c2ccccc12 |r,wD:6.9,3.2,(51.84,-7.48,;51.03,-6.16,;51.76,-4.81,;49.48,-6.21,;48.68,-4.9,;47.13,-4.94,;46.4,-6.3,;47.22,-7.61,;48.75,-7.57,;44.87,-6.36,;44.14,-7.71,;42.6,-7.76,;41.78,-6.46,;42.51,-5.09,;44.05,-5.04,;40.25,-6.51,;39.3,-5.29,;37.86,-5.82,;36.58,-4.96,;35.2,-5.64,;33.75,-5.14,;33.25,-6.59,;31.87,-7.26,;34.7,-7.09,;37.92,-7.36,;36.81,-8.43,;37.18,-9.92,;38.67,-10.34,;39.77,-9.27,;39.39,-7.79,)|
CCn1c2ccccc2n([C@@H]2CCN(CC3CCCC4CCCCC34)C[C@H]2CO)c1=O |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1 |r|
COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O
CCn1c2ccccc2n([C@@H]2CCN(C[C@H]2CO)C2CCC(CC2)C(C)C)c1=O |r,wU:15.17,wD:10.10,(28.2,-19.76,;27.17,-20.9,;27.65,-22.37,;29.13,-22.84,;30.46,-22.07,;31.8,-22.83,;31.8,-24.38,;30.47,-25.16,;29.13,-24.38,;27.66,-24.87,;27.2,-26.34,;28.24,-27.48,;27.76,-28.95,;26.25,-29.27,;25.22,-28.12,;25.69,-26.66,;24.66,-25.52,;23.16,-25.85,;25.78,-30.73,;24.27,-31.05,;23.79,-32.5,;24.82,-33.65,;26.32,-33.34,;26.81,-31.87,;24.34,-35.11,;22.83,-35.43,;25.36,-36.26,;26.75,-23.62,;25.21,-23.63,)|
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1
CCn1c2ccccc2n(C2CCN(CC3CCCCCCC3)CC2)c1=O
O=c1[nH]c2ccccc2n1C1CCN(CC2CCCCCCC2)CC1
CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl
CCn1c2ccccc2n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c1=O
C[C@@H]1C[C@H](N)CC[C@@H]1Nc1nc(\C=C\c2ccccn2)nc2ccc(C)cc12 |r|
[H][C@@]1(Cc2cccc3cccc1c23)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccn1 |TLB:0:1:8:4.5,THB:24:1:8:4.5|
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:3.2,wD:6.9,(22.98,-15.72,;21.49,-16.12,;20.4,-15.04,;21.1,-17.62,;20.33,-18.95,;18.8,-18.94,;18.04,-17.61,;18.8,-16.28,;20.34,-16.29,;17.13,-18.87,;15.59,-18.71,;14.96,-17.29,;15.87,-16.05,;17.41,-16.21,;18.04,-14.8,;16.89,-13.76,;16.89,-12.21,;15.55,-11.44,;14.22,-12.21,;12.89,-11.44,;14.22,-13.76,;15.55,-14.53,;22.63,-17.63,;23.4,-18.97,;24.94,-18.98,;25.72,-17.65,;24.94,-16.3,;23.41,-16.3,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2Cc3cccc4cccc2c34)c1=O |r|
[H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)Cc4ccccc14)c23 |r|
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
CCn1c2ccccc2n([C@@H]2CCN(C[C@H]2CO)C2CCCCCCC2)c1=O |r|
Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
OC[C@H]1CN(C[C@H]2CCCCC22CC2)CC[C@@H]1n1c2ccccc2n(CC[18F])c1=O |r|
NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl |TLB:9:8:16:12.13,THB:7:8:16:12.13|
CCCCN1CCC2(CCC(CC2)(N(C)C)c2cccs2)C1=O |(44.72,-7.09,;46.19,-7.59,;47.35,-6.56,;48.81,-7.06,;49.97,-6.03,;49.83,-4.48,;51.25,-3.86,;52.28,-5.03,;53.05,-6.36,;54.58,-6.37,;55.36,-5.04,;54.59,-3.71,;53.05,-3.7,;56.45,-3.94,;57.94,-4.32,;56.03,-2.45,;56.45,-6.13,;57.97,-5.89,;58.67,-7.26,;57.58,-8.35,;56.21,-7.65,;51.49,-6.37,;52.11,-7.79,)|
CN(C)C1(CCC2(CNC(=O)C2)CC1)c1ccccc1 |(12.07,-25.15,;10.57,-24.76,;10.16,-23.27,;9.48,-25.86,;8.71,-27.19,;7.18,-27.19,;6.41,-25.85,;5.62,-27.19,;4.1,-26.85,;3.95,-25.3,;2.63,-24.52,;5.38,-24.68,;7.18,-24.52,;8.72,-24.53,;10.57,-26.95,;10.17,-28.44,;11.26,-29.53,;12.75,-29.13,;13.14,-27.63,;12.05,-26.55,)|
CN(C)C1(CCC2(CCN(CCC3(CCC3)C#N)C2)CC1)c1ccccc1 |(43.54,-13.69,;42.05,-13.3,;41.64,-11.82,;40.96,-14.4,;40.19,-15.72,;38.67,-15.72,;37.9,-14.39,;36.88,-13.23,;35.45,-13.85,;35.6,-15.39,;34.45,-16.41,;32.99,-15.92,;31.83,-16.94,;31.05,-18.28,;32.38,-19.05,;33.16,-17.72,;30.37,-16.45,;28.92,-15.95,;37.11,-15.73,;38.67,-13.06,;40.2,-13.07,;42.05,-15.49,;41.65,-16.97,;42.73,-18.05,;44.21,-17.65,;44.61,-16.16,;43.52,-15.09,)|
CCCC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1sccc1C |(15.16,-38.29,;16.62,-38.79,;17.78,-37.76,;19.24,-38.26,;19.55,-39.77,;20.4,-37.23,;20.25,-35.69,;21.68,-35.07,;22.71,-36.23,;21.92,-37.57,;23.47,-37.57,;25,-37.57,;25.78,-36.24,;25.01,-34.91,;23.47,-34.9,;26.87,-35.14,;26.45,-33.65,;28.36,-35.53,;26.87,-37.33,;28.39,-37.09,;29.09,-38.46,;28.01,-39.55,;26.63,-38.85,;25.26,-39.56,)|
COC1(CCN2CC3(CC2=O)CCC(CC3)(N(C)C)c2cccs2)CCC1 |(60.45,-7.81,;61.6,-6.79,;63.06,-7.29,;64.22,-6.27,;65.68,-6.76,;66.83,-5.74,;68.35,-6.07,;69.13,-4.74,;68.11,-3.58,;66.69,-4.19,;65.36,-3.41,;69.9,-6.07,;71.42,-6.07,;72.2,-4.75,;71.43,-3.42,;69.9,-3.41,;73.28,-3.65,;74.77,-4.04,;72.87,-2.16,;73.28,-5.83,;74.8,-5.59,;75.49,-6.96,;74.41,-8.04,;73.04,-7.35,;62.28,-8.62,;63.61,-9.4,;64.39,-8.07,)|
CN(C)C1(CCC2(CCN(C2)C(=O)CC2CC2)CC1)C1CCCC1 |(44.11,-34.25,;42.62,-33.86,;42.21,-32.37,;41.53,-34.97,;40.76,-36.29,;39.23,-36.29,;38.46,-34.95,;37.43,-33.79,;36.01,-34.41,;36.15,-35.96,;37.67,-36.29,;35,-36.98,;35.3,-38.49,;33.53,-36.49,;32.38,-37.51,;30.87,-37.82,;31.89,-38.97,;39.23,-33.62,;40.77,-33.63,;42.62,-36.05,;42.39,-37.57,;43.76,-38.27,;44.85,-37.18,;44.15,-35.81,)|
CN(C)C1(CCC2(CCN(C2)C(=O)CC2(CCC2)C#N)CC1)c1ccccc1 |(43.54,-13.69,;42.05,-13.3,;41.64,-11.82,;40.96,-14.4,;40.19,-15.72,;38.67,-15.72,;37.9,-14.39,;36.88,-13.23,;35.45,-13.84,;35.6,-15.39,;37.11,-15.73,;34.45,-16.41,;34.75,-17.92,;32.99,-15.92,;31.83,-16.94,;31.05,-18.27,;32.38,-19.05,;33.16,-17.72,;30.37,-16.45,;28.92,-15.95,;38.67,-13.06,;40.2,-13.07,;42.05,-15.49,;41.65,-16.97,;42.73,-18.05,;44.21,-17.65,;44.61,-16.16,;43.52,-15.09,)|
CC(C)CC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1sccc1C |(28.65,-6.8,;30.12,-7.29,;30.42,-8.8,;31.27,-6.27,;32.74,-6.76,;33.04,-8.27,;33.9,-5.74,;33.75,-4.19,;35.17,-3.57,;36.2,-4.73,;35.41,-6.07,;36.97,-6.07,;38.5,-6.07,;39.27,-4.75,;38.51,-3.41,;36.97,-3.41,;40.36,-3.64,;41.86,-4.03,;39.95,-2.15,;40.36,-5.83,;41.89,-5.59,;42.59,-6.96,;41.5,-8.05,;40.13,-7.35,;38.76,-8.06,)|
CCCC(=O)N1CCC2(C1)CCC(CC2)(N(C)C)c1ccccc1 |(14.51,-28.26,;15.98,-28.75,;17.14,-27.73,;18.6,-28.22,;18.91,-29.73,;19.76,-27.2,;19.61,-25.65,;21.04,-25.03,;22.07,-26.19,;21.28,-27.53,;22.83,-27.53,;24.36,-27.53,;25.14,-26.21,;24.37,-24.87,;22.83,-24.86,;26.22,-25.1,;27.72,-25.49,;25.81,-23.61,;26.22,-27.29,;25.82,-28.78,;26.91,-29.87,;28.4,-29.47,;28.79,-27.97,;27.7,-26.89,)|
CCCCN1CCC2(C1)CCC(CC2)(N(C)C)c1cccs1 |(13.6,-7.38,;15.07,-7.88,;16.23,-6.85,;17.69,-7.34,;18.85,-6.32,;18.7,-4.77,;20.13,-4.15,;21.16,-5.32,;20.37,-6.66,;21.93,-6.65,;23.46,-6.66,;24.24,-5.33,;23.47,-4,;21.93,-3.99,;25.33,-4.22,;26.82,-4.61,;24.91,-2.73,;25.33,-6.42,;26.85,-6.18,;27.55,-7.55,;26.46,-8.64,;25.09,-7.94,)|
CN(C)C1(CCC2(CCN(C2)C(=O)CC2CCC2)CC1)c1ccccc1 |(44.14,-24.48,;42.65,-24.09,;42.24,-22.6,;41.56,-25.2,;40.78,-26.52,;39.26,-26.52,;38.49,-25.18,;37.46,-24.02,;36.03,-24.64,;36.18,-26.19,;37.7,-26.53,;35.02,-27.21,;35.33,-28.72,;33.56,-26.72,;32.4,-27.74,;30.87,-27.64,;30.77,-29.18,;32.31,-29.28,;39.26,-23.86,;40.8,-23.86,;42.65,-26.28,;42.25,-27.77,;43.33,-28.86,;44.82,-28.46,;45.21,-26.96,;44.12,-25.88,)|
CN(C)C1(CCC2(CCN(CC3CCCC3)C2)CC1)c1cccs1 |(27.46,-15.05,;25.97,-14.66,;25.55,-13.17,;24.88,-15.76,;24.1,-17.09,;22.57,-17.08,;21.81,-15.75,;20.78,-14.58,;19.35,-15.2,;19.5,-16.75,;18.34,-17.77,;16.87,-17.28,;16.41,-15.82,;14.86,-15.8,;14.37,-17.27,;15.61,-18.19,;21.01,-17.09,;22.57,-14.42,;24.11,-14.43,;25.97,-16.85,;27.48,-16.61,;28.18,-17.98,;27.1,-19.07,;25.73,-18.37,)|
CCCCN1CCC2(C1)CCC(Cc1ccccc1)(CC2)N(C)C |(-.97,-17.54,;.49,-18.03,;1.65,-17.02,;3.11,-17.51,;4.26,-16.49,;4.12,-14.94,;5.54,-14.33,;6.57,-15.49,;5.78,-16.82,;7.33,-16.82,;8.85,-16.82,;9.63,-15.5,;10.71,-16.58,;10.31,-18.07,;8.83,-18.47,;8.43,-19.95,;9.52,-21.04,;11.01,-20.64,;11.4,-19.15,;8.86,-14.17,;7.33,-14.16,;10.71,-14.4,;12.2,-14.79,;10.3,-12.91,)|
CN(C)C1(CCC2(CN(CCC3(CCC3)C#N)C(=O)C2)CC1)c1ccccc1 |(43.54,-13.69,;42.05,-13.3,;41.64,-11.82,;40.96,-14.4,;40.19,-15.72,;38.67,-15.72,;37.9,-14.39,;37.11,-15.73,;35.6,-15.39,;34.45,-16.41,;32.99,-15.92,;31.83,-16.94,;31.05,-18.27,;32.38,-19.05,;33.16,-17.72,;30.37,-16.45,;28.92,-15.95,;35.45,-13.84,;34.12,-13.05,;36.88,-13.23,;38.67,-13.06,;40.2,-13.07,;42.05,-15.49,;41.65,-16.97,;42.73,-18.05,;44.21,-17.65,;44.61,-16.16,;43.52,-15.09,)|
CN(C)C1(Cc2ccccc2)CCC2(CCN(C2)C(C)=O)CC1 |(12.68,-4.56,;11.19,-4.17,;10.78,-2.69,;10.1,-5.28,;11.19,-6.36,;10.79,-7.85,;9.3,-8.24,;8.9,-9.73,;9.99,-10.82,;11.49,-10.42,;11.88,-8.93,;9.33,-6.6,;7.8,-6.59,;7.04,-5.26,;6.01,-4.1,;4.59,-4.72,;4.73,-6.26,;6.25,-6.6,;3.58,-7.28,;2.12,-6.79,;3.88,-8.79,;7.8,-3.94,;9.34,-3.94,)|
CCCCN1CCC2(CCC(Cc3ccccc3)(CC2)N(C)C)C1=O |(45.57,-17.23,;47.03,-17.72,;48.18,-16.7,;49.64,-17.19,;50.8,-16.17,;50.65,-14.63,;52.08,-14.01,;53.1,-15.17,;53.87,-16.51,;55.39,-16.51,;56.17,-15.19,;57.25,-16.27,;56.86,-17.76,;55.37,-18.16,;54.97,-19.64,;56.06,-20.74,;57.55,-20.33,;57.95,-18.84,;55.4,-13.86,;53.87,-13.85,;57.25,-14.08,;58.75,-14.47,;56.84,-12.6,;52.31,-16.51,;52.93,-17.93,)|
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1
Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)[N+]([O-])=O)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1
CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1
COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CN(C(=O)c1ccccc1COc1ccc(Cl)cc1)c1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)C(F)(F)F)ccc2n1
Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12
Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1
CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1
Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |r|
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |r|
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O |r|
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CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC1(CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NC1(CCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r|
OC1(CCN(CC1)C(=O)COCc1ccccc1)c1ccc(Br)cc1
OC1(CCN(CC1)C1Cc2ccccc2C1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
CCCC1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(12.47,-8.29,;11.67,-6.98,;12.42,-5.62,;11.63,-4.3,;12.37,-2.95,;11.58,-1.63,;10.06,-1.66,;9.31,-3.02,;10.09,-4.32,;9.26,-.35,;10.01,1,;9.2,2.33,;7.66,2.29,;7.5,3.83,;6.91,.95,;7.72,-.38,;6.17,1.86,;5.79,.37,;4.32,-.05,;3.23,1.02,;3.6,2.5,;5.09,2.92,;2.48,3.56,;1.38,4.62,;3.55,4.68,;1.43,2.44,)|
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(Cc2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F |(14.24,-8.94,;14.99,-7.59,;16.53,-7.57,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;12.56,-.98,;11.77,.35,;10.23,.32,;10.06,1.84,;9.48,-1.03,;10.27,-2.36,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F
OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)cc1
Fc1ccc(CN2CCC(CC2)(C#N)c2ccccc2)cc1
CC(C)C1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F |(16.53,-7.57,;14.99,-7.59,;14.24,-8.94,;14.19,-6.28,;14.94,-4.93,;14.15,-3.6,;12.61,-3.65,;11.86,-4.99,;12.65,-6.3,;11.81,-2.32,;10.27,-2.36,;9.48,-1.03,;10.23,.32,;10.06,1.84,;11.77,.35,;12.56,-.98,;8.73,-.12,;8.35,-1.62,;6.89,-2.03,;5.79,-.96,;4.32,-1.38,;6.16,.53,;7.64,.95,;5.05,1.59,;6.11,2.7,;3.97,.47,;3.93,2.65,)|
OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CC1)C1CCC2CCCCC2C1)c1cccc(c1)C(F)(F)F
OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1ccc(Cl)cc1
OC1(CCN(Cc2ccc(o2)[N+]([O-])=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
N#CC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccccc1
OC1(CCN(CC2CCCCCCC2)CC1)c1cccc(c1)C(F)(F)F
OC1(CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Clc1ccc(CN2CCC(CC2)(C#N)c2ccccc2)cc1Cl
Cc1ccc2ccccc2c1CN1CCC(CC1)(C#N)c1ccccc1
OC1(CCN(Cc2ccc(cc2)C(F)(F)F)CC1)c1cccc(c1)C(F)(F)F
OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
N#CC1(CCN(Cc2cccc3ccccc23)CC1)c1ccccc1
OC1(CCN(Cc2ccc3ccccc3c2)CC1)c1cccc(c1)C(F)(F)F
[H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
[H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
O=C1Cc2ccccc2N1C1CCN(C[C@@H]2CC3CCC2C3)CC1 |r,THB:14:15:21:19.18|
CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc(cc1)C1CCCCC1
O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1 |r,THB:14:15:21:19.18|
CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccc-2c(Cc3ccccc-23)c1
O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCC[C@@H]2C1
CC(C)[C@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wU:3.2,wD:6.9,(24.92,-3.48,;24.12,-2.15,;24.85,-.8,;22.58,-2.2,;21.84,-3.55,;20.3,-3.58,;19.5,-2.27,;20.23,-.92,;21.77,-.87,;17.97,-2.31,;17.15,-.99,;15.61,-1.03,;14.89,-2.39,;15.7,-3.71,;17.22,-3.66,;13.35,-2.43,;12.41,-1.22,;12.84,.26,;10.96,-1.73,;11.01,-3.27,;9.9,-4.34,;10.27,-5.84,;11.74,-6.26,;12.86,-5.2,;12.49,-3.69,)|
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCC2CCCCC12
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wD:6.9,3.2,(24.86,-7.21,;24.05,-5.88,;24.8,-4.53,;22.51,-5.93,;21.72,-4.6,;20.17,-4.65,;19.43,-6,;20.25,-7.31,;21.78,-7.28,;17.91,-6.04,;17.1,-4.72,;15.55,-4.77,;14.83,-6.12,;15.63,-7.44,;17.17,-7.39,;13.29,-6.16,;12.34,-4.95,;12.78,-3.47,;10.9,-5.46,;10.94,-7,;9.85,-8.05,;10.21,-9.57,;11.69,-9.99,;12.8,-8.93,;12.43,-7.42,)|
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1
CC1(C)C2CC1C(CN1CCC(CC1)N1C(=O)Cc3ccccc13)CC2 |THB:7:6:1:4|
O=C1Cc2ccccc2N1C1CCN(CC1)C1C2CCCC1CCC2 |THB:13:16:19.18.20:23.24.22|
O=C1Cc2ccccc2N1C1CCN(CC1)C(C1CCCCC1)C1CCCCC1
O=C1Cc2ccccc2N1C1CCN(CC1)C1CCCc2ccccc12
C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
C[C@H](NC(=O)CNC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CNCCC(Oc1ccccc1C)c1ccccc1
CNCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1
[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#6](-[#7])=O |r|
NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 |r|
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
OC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1cccc(c1)C(F)(F)F |(-.85,3.59,;.47,2.82,;1.8,2.05,;1.8,.51,;.47,-.24,;1.8,-1.01,;-.32,-1.57,;-1.86,-1.55,;-2.63,-2.88,;-1.87,-4.22,;-2.67,-5.53,;-1.93,-6.88,;-.37,-6.9,;.4,-5.56,;-.34,-4.22,;-4.17,-2.85,;-4.93,-1.52,;-6.45,-1.49,;-7.24,-2.82,;-6.5,-4.17,;-4.96,-4.17,;-.85,.51,;-.85,2.05,;1.57,3.92,;1.15,5.41,;2.24,6.5,;3.74,6.15,;4.13,4.63,;3.06,3.54,;5.65,4.24,;6.93,5.2,;7,3.89,;6.3,2.79,)|
COC(=O)C(CCN1CCC(O)(CC1)c1cccc(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)(c1ccccc1)c1ccccc1
OC1(CC[N+]([O-])(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-1.02,2.26,;.31,1.49,;-1.02,.72,;-1.02,-.82,;.31,-1.59,;1.64,-2.36,;-.48,-2.92,;-2.02,-2.89,;-2.77,-1.55,;-4.31,-1.52,;-5.08,-2.85,;-6.62,-2.85,;-7.41,-4.18,;-6.64,-5.51,;-5.1,-5.53,;-4.33,-4.21,;-2.79,-4.21,;1.64,-.82,;1.64,.72,;1.41,2.58,;.99,4.08,;2.06,5.17,;3.58,4.8,;4.65,5.9,;3.97,3.29,;2.9,2.19,;5.49,2.91,;6.77,3.87,;6.84,2.56,;6.14,1.45,)|
COC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
OC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
OC1(CC[N+]([O-])(CCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F |(-.99,3.38,;.33,2.61,;-.99,1.83,;-.99,.3,;.33,-.45,;1.66,-1.22,;-.44,-1.78,;-1.98,-1.76,;-2.77,-3.09,;-4.31,-3.06,;-5.08,-4.38,;-6.64,-4.38,;-7.39,-3.03,;-6.59,-1.71,;-5.06,-1.73,;-2.02,-4.44,;-2.81,-5.75,;-2.05,-7.09,;-.51,-7.12,;.26,-5.78,;-.48,-4.44,;1.68,.3,;1.66,1.83,;1.43,3.7,;1.01,5.19,;2.08,6.3,;3.6,5.92,;4.67,7.04,;4.01,4.41,;2.92,3.33,;5.51,4.03,;6.86,3.68,;6.18,2.58,;6.79,4.99,)|
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1Cl
Cc1ccc(Cl)c(OC(C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)C2CCCCC2)c1
Cc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
COc1ccc(Cl)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1
Cc1ccc(Cl)c(OC2(CCCCC2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
OC(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1CCCCC1
CCc1ccccc1OC(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(C)C
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(F)ccc1Cl
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccc(F)c(C)c1
Cc1ccc(Cl)c(OC2(CCCCC2)C(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)n2ccnc2)c1
Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(C)C
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[n-]c1=[OH+])Oc1cc(C)ccc1[N+]([O-])=O
CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(C)C)c1 |w:9.8|
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1F
CC(C)C(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Cc1ccc(Cl)c(OC(C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccc(F)cc1C
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(F)(F)F
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(C)ccc1C
CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Cc1ccc(Cl)c(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1cc(N)ccc1C
Cc1ccc(Cl)c(OC2(CCN3CCC(CC3)n3c4ccccc4[nH]c3=O)CCCCC2)c1
CC(C)C(CCN1CCC(CC1)n1[c-]2ccccc2nc1=[OH+])Oc1cc(ccc1C)[N+]([O-])=O
Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
CN(C)C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)C1(CCCCC1)Oc1cc(C)ccc1Cl
CC(C)CC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
CN(C)C[C@H]1C[C@@H]2[C@@H](O1)c1ccccc1Oc1ccccc21
Cc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCC4=O)O[C@@H]3c2c1
COc1ccc2Oc3ccccc3[C@@H]3C[C@H](CN(C)C)O[C@@H]3c2c1
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)N4CCOCC4)O[C@@H]3c2c1
CCOC(=O)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
CN(C)c1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
CN(C)C[C@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
Nc1ccc2on(C[C@@H]3C[C@@H]4[C@H](O3)c3cc(Br)ccc3Oc3ccccc43)c2c1
COc1ccc2Oc3ccccc3[C@@H]3C[C@@H](CN(C)C)O[C@@H]3c2c1
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(CN6CCOCC6)cc45)O[C@@H]3c2c1
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)C#N)O[C@@H]3c2c1
Brc1ccc2Oc3ccccc3[C@@H]3C[C@@H](Cn4oc5ccc(cc45)-c4ccccc4)O[C@@H]3c2c1
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
OC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
COC(=O)CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c2ccccc12
CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2c1cccc2C
COC(=O)CN1C(=O)C2(CCN(Cc3ccccc3-c3ccsc3)CC2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc12
COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
COC1CCC(CC1)C(=O)N1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc21 |(7.52,-8.29,;7.05,-6.84,;5.55,-6.51,;4.51,-7.64,;3.02,-7.31,;2.55,-5.84,;3.58,-4.7,;5.09,-5.04,;1.03,-5.51,;.01,-6.66,;.57,-4.04,;-.93,-3.72,;-1.4,-2.27,;-.37,-1.13,;1.13,-1.43,;1.61,-2.9,;.54,.13,;2.08,.13,;-.37,1.39,;.1,2.85,;1.61,3.17,;2.08,4.64,;2.64,2.03,;4.14,2.36,;-1.84,.9,;-3.19,1.67,;-4.52,.9,;-4.52,-.64,;-3.19,-1.41,;-1.84,-.64,)|
CCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(C)C
COC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc12
CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc21
OC(CNCCN1CCOCC1)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(Cc3cccc(c3)C(F)(F)F)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(CC3CCC(CC3)C(C)(C)C)CC2)c2ccccc12 |(5.06,2.61,;3.55,2.29,;2.53,3.43,;2.99,4.89,;1.03,3.1,;.54,1.65,;1.45,.39,;2.99,.39,;.54,-.87,;2.06,-1.17,;2.53,-2.64,;1.5,-3.79,;1.97,-5.26,;.92,-6.4,;-.58,-6.07,;-1.6,-7.19,;-1.14,-8.66,;.36,-9.01,;1.41,-7.86,;-2.19,-9.81,;-1.07,-10.88,;-3.28,-8.73,;-3.28,-10.9,;-.02,-3.46,;-.48,-2.01,;-.93,-.38,;-2.26,-1.15,;-3.59,-.38,;-3.59,1.16,;-2.26,1.93,;-.93,1.16,)|
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCCCCCC3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(CC2)C2CCc3ccccc3C2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(C)cc12
OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(CC2)C(C)c2ccccc2)c2ccccc12
CCN(CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12)Cc1ccc(C)cc1
COC(=O)CN1C(=O)C2(CCN(CC2)C2CCC3CCCCC3C2)c2ccccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C)ccc12
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(F)(F)F
COC(=O)CN1C(=O)C2(CCN(Cc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12
O=C1Nc2ccccc2C11CCN(CC2CCCCCCC2)CC1
COc1ccc(CN2C(=O)C3(CCN(CC4CCCCCCC4)CC3)c3ccccc23)cc1
O=C1N(CC2CO2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
COC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc12
CC(C)c1ccc2N(C)C(=O)C3(CCN(CC4CCCCCCC4)CC3)c2c1
COC(=O)CN1C(=O)C2(CCN(CC2)c2ccc3CCc4cccc2c34)c2ccccc12
O=C1N(CC2CCCCC2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
CCCCCCC(CCCC)CN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc21
O=C1N(Cc2ccccc2)c2ccccc2C11CCN(CC2CCCCCCC2)CC1
COC(=O)CN1C(=O)C2(CCN(CC2)C(=O)CCC(=O)c2ccccc2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc12
COC(=O)CN1C(=O)C2(CCN(Cc3cccc4ccccc34)CC2)c2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
Clc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1
O=C1NCN(CCc2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
CCCCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1
COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1
Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1
Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1
COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1Cc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1OCc1ccccc1
O[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCN1Cc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1C(=O)c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1Oc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1-c1ccccc1
COc1ccc2C(=O)C(CC(=O)NCCCN3CCC4(CCc5ccccc45)CC3)Cc2c1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1Cc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1COCN1C(=O)OCc1ccccc1
O=C(CC1Cc2ccccc2C1)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1CC(=O)c2ccccc12
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1Cc2ccccc2C1
CC(Oc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1(CCCC1)c1ccccc1
O=C(CCc1ccccc1)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc23)CC1
O[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc(Oc2ccccc2)c1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1COC(=O)N1Cc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C(=O)c1c[nH]c2ccccc12
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C(Cc1ccccc1)c1ccccc1
COC(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1
COc1ccccc1\C=C/C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
OC(c1ccccc1)c1ccccc1C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1Nc1ccccc1
O=C(CSc1nc2ccccc2s1)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(Cc1ccc2ccccc2c1)NCCCN1CCC2(CCc3ccccc23)CC1
CC(NC(=O)c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)\C=C\c1ccccc1
O=C(Cc1cccc(Oc2ccccc2)c1)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ncccc1-c1ccccc1
CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1Cc2ccccc2N1c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1(CCCCC1)c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1CC1c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1OC(=O)N[C@H]1Cc1ccccc1
O=C(CSc1ccccc1)NCCCN1CCC2(CCc3ccccc23)CC1
OC(C1CCCCC1)(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1CCCCC1C(=O)Nc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCN1C(=O)c1ccccc1
Cc1onc(c1C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)-c1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1CCc2ccccc2C1
O=C(Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1
O=C(Cc1cccc2ccccc12)NCCCN1CCC2(CCc3ccccc23)CC1
OC(c1ccccc1)c1cccnc1C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1ncccc1Oc1ccccc1
CC(=O)N\C(=C/c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)\C=C\c1c[nH]c2ccccc12
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1Cc2ccccc12
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCC(=O)N1Cc1ccccc1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc-2c1Cc1ccccc-21
O=C(Cc1ccc2OCOc2c1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
Cc1ccc(cc1)C(=O)\C=C\C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
CN(CC(=O)NCCCN1CCC2(CCc3ccccc23)CC1)C(=O)c1ccccc1
CC(C)(C)C(Cc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)c1cc(=O)c2ccccc2o1
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1
CC1=Cc2ccccc2C1C(=O)NCCCN1CCC2(CCc3ccccc23)CC1 |t:1|
FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(Cc1ccccc1)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(NCCCN1CCC2(CCc3ccccc23)CC1)C1CCN(CC1)c1ncccn1
Clc1ccc(cc1)-c1ccc(o1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
O=C(CCc1c[nH]c2ccccc12)NCCCN1CCC2(CCc3ccccc23)CC1
CN(C)CCc1cccc2[nH]c(cc12)-c1ncc(CCc2ccc(Cl)cc2)o1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CCCCC2)no1
CN1CCN(CC1)c1nccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nnn(CCc2ccc(Cl)cc2)n1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CC2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
CN1CCC(CC1)c1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CCCC2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCCc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nnc(CCc2ccc(Cl)cc2)o1
CCN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
CCCc1noc(n1)-c1cc2c(CCN(C)C)cccc2[nH]1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(F)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccccc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccccn2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1noc(CCc2ccc(Cl)cc2)n1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CC2CCCCC2)no1
CN(C)CCc1cccc2cc([nH]c12)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCOCCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(cc2)C(F)(F)F)no1
CN(C)CCc1cccc2[nH]c(cc12)C(=O)NCCc1ccc(Cl)cc1
CCCCc1noc(n1)-c1cc2c(CCN(C)C)cccc2[nH]1
CN(C)CCc1ccc2cc([nH]c2c1)-c1nc(CCc2ccc(Cl)cc2)no1
CN1CCN(CC1)c1ccnc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
COC(C)(C)CCc1noc(n1)-c1cc2c(CCN(C)C)cccc2[nH]1
CN(C)CCc1ccc2[nH]c(cc2c1)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
COc1ccc(CCc2noc(n2)-c2cc3c(CCN(C)C)cccc3[nH]2)cc1
CN1CCCC1c1ccc2[nH]c(cc2c1C1CCCN1C)-c1nc(CCc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CCOCC2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCCN2CCCC2)no1
CN(C)Cc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
Clc1ccc(CCc2noc(n2)-c2cc3c(CCN4CCOCC4)cccc3[nH]2)cc1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccncc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCCC2CCCCC2)no1
CC(C)CCc1noc(n1)-c1cc2c(CCN(C)C)cccc2[nH]1
CN(C)CCc1cccc2[nH]c(cc12)C(=O)NCCCc1ccc(Cl)cc1
CN1CCN(CC1)c1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
Clc1ccc(CCc2noc(n2)-c2cc3c(CCN4CCCC4)cccc3[nH]2)cc1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(COc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(C)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CC3CCC2C3)no1 |TLB:18:19:25:22.23|
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(cc2)N(C)C)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(Cc2ccc(Cl)cc2)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC(C)(C)C)no1
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCc2cccnc2)no1
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC1)C1Cc2cccc3cccc1c23
Fc1ccc2[nH]cc(C3CCN(CC3)C3Cc4cccc5cccc3c45)c2c1
Clc1cccc2c(c[nH]c12)C1CCN(CC1)C1Cc2cccc3cccc1c23
C1C(N2CCC(CC2)c2c[nH]c3ncccc23)c2cccc3cccc1c23
N#Cc1ccc2[nH]cc(C3=CCN(CC3)C3Cc4cccc5cccc3c45)c2c1 |t:9|
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12
Clc1cccc2c(c[nH]c12)C1CCN(CC2CCCCCCC2)CC1
CC(=O)OC1CN(CCC1c1cn(C)c2ncccc12)C1Cc2cccc3cccc1c23
Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Clc1ccc2c(cn(Cc3ccccc3)c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
NC[C@@H](O)Cn1cc(C2=CCN(CC2)C2Cc3cccc4cccc2c34)c2cc(ccc12)C#N |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(Cc2cccc3ccccc23)CC1
Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:8|
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
CCCCCCN1CCC(CC1)c1c[nH]c2ncccc12
Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1
C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1
OCCn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2cccnc12
Fc1ccc2c(c[nH]c2c1)C1CCN(CC1)C1Cc2cccc3cccc1c23
Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12
C(C1CCCCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1
CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12 |(27.91,-29.65,;27.6,-28.14,;27.29,-26.63,;29.11,-27.83,;26.09,-28.44,;25.6,-29.91,;24.1,-30.22,;23.08,-29.07,;23.55,-27.6,;25.06,-27.3,;21.58,-29.39,;20.49,-28.3,;21.1,-30.85,;22.12,-32,;21.64,-33.45,;20.13,-33.77,;19.1,-32.63,;19.59,-31.16,;19.66,-35.24,;20.57,-36.49,;19.66,-37.75,;18.18,-37.27,;16.85,-38.04,;15.51,-37.27,;15.52,-35.72,;16.85,-34.95,;18.18,-35.71,)|
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
Fc1ccc2c(c[nH]c2c1)C1=CCN(CC1)C1Cc2cccc3cccc1c23 |t:12|
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1
O=C1NCC(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1
Fc1ccc(cc1)[C@@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
Fc1ccc(cc1)[C@H]1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccc(F)cc1
O=C1NC[C@H](c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
CC(C)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC(C)C)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCCO)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)(=O)=O)c2=O)C(C)C)c1 |w:9.8|
CNCCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
CCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
CCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:21.22|
COCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:22.23|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CS(C)=O)c2=O)C(C)C)c1 |w:9.8|
CCOCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:18.19|
CCC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(N)=O)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CC3)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC3CCC3)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCC=C)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCc3ccccc3)c2=O)C(C)C)c1 |w:9.8|
COCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:17.18|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NCC3CC3)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCOC(C)=O)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CSC)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)N(C)C)c2=O)C(C)C)c1 |w:9.8|
COC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:19.20|
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O |w:20.20|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)C)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)C(C)C)c1
CNC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
COC(=O)CCn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:20.21|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCSC)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCO)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(O)=O)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CC(=O)NC(C)(C)C)c2=O)C(C)C)c1 |w:9.8|
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(CCN(C)Cc3ccccc3)c2=O)C(C)C)c1 |w:9.8|
CCCCNC(=O)Cn1c2ccccc2n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O |w:22.23|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-.93,;6.57,-2.02,;6.97,-3.51,;5.08,-1.62,;4.68,-.14,;3.19,.26,;2.11,-.83,;2.5,-2.31,;3.99,-2.71,;.62,-.43,;-.47,-1.52,;-1.96,-1.12,;-2.36,.37,;-1.27,1.46,;.22,1.06,;-3.84,.77,;-4.47,2.18,;-3.7,3.51,;-2.16,3.51,;-6,2.01,;-6.32,.51,;-7.66,-.26,;-7.66,-1.8,;-6.32,-2.57,;-4.99,-1.8,;-4.99,-.26,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CCN)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-1.6,;6.57,-2.69,;6.97,-4.18,;5.08,-2.29,;4.68,-.8,;3.19,-.4,;2.11,-1.49,;2.5,-2.98,;3.99,-3.38,;.62,-1.09,;-.47,-2.18,;-1.96,-1.78,;-2.36,-.3,;-1.27,.79,;.22,.39,;-3.84,.1,;-4.47,1.51,;-3.7,2.84,;-2.16,2.84,;-1.39,4.18,;-6,1.35,;-6.32,-.16,;-7.66,-.93,;-7.66,-2.47,;-6.32,-3.24,;-4.99,-2.47,;-4.99,-.93,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CO)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-.93,;6.57,-2.02,;6.97,-3.51,;5.08,-1.62,;4.68,-.14,;3.19,.26,;2.11,-.83,;2.5,-2.31,;3.99,-2.71,;.62,-.43,;-.47,-1.52,;-1.96,-1.12,;-2.36,.37,;-1.27,1.46,;.22,1.06,;-3.84,.77,;-4.47,2.18,;-3.7,3.51,;-2.16,3.51,;-6,2.01,;-6.32,.51,;-7.66,-.26,;-7.66,-1.8,;-6.32,-2.57,;-4.99,-1.8,;-4.99,-.26,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CCO)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-1.6,;6.57,-2.69,;6.97,-4.18,;5.08,-2.29,;4.68,-.8,;3.19,-.4,;2.11,-1.49,;2.5,-2.98,;3.99,-3.38,;.62,-1.09,;-.47,-2.18,;-1.96,-1.78,;-2.36,-.3,;-1.27,.79,;.22,.39,;-3.84,.1,;-4.47,1.51,;-3.7,2.84,;-2.16,2.84,;-1.39,4.18,;-6,1.35,;-6.32,-.16,;-7.66,-.93,;-7.66,-2.47,;-6.32,-3.24,;-4.99,-2.47,;-4.99,-.93,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(C)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.12,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;.15,3.51,;-2.16,4.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CCOC(=O)NCc1cc2ccccc2n1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C |r,wD:25.31,22.24,(2.46,2.18,;.92,2.18,;.15,3.51,;-1.39,3.51,;-2.16,4.84,;-2.16,2.18,;-3.7,2.18,;-4.47,.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,;-3.84,-.57,;-2.36,-.96,;-1.96,-2.45,;-.47,-2.85,;.62,-1.76,;.22,-.27,;-1.27,.13,;2.11,-2.16,;3.19,-1.07,;4.68,-1.47,;5.08,-2.96,;3.99,-4.05,;2.5,-3.65,;6.57,-3.36,;7.66,-2.27,;6.97,-4.84,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNS(C)(=O)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.37,;6.57,-3.46,;6.97,-4.95,;5.08,-3.06,;4.68,-1.57,;3.19,-1.18,;2.11,-2.26,;2.5,-3.75,;3.99,-4.15,;.62,-1.87,;-.47,-2.95,;-1.96,-2.56,;-2.36,-1.07,;-1.27,.02,;.22,-.38,;-3.84,-.67,;-4.47,.74,;-3.7,2.07,;-2.16,2.07,;-1.39,3.4,;.15,3.4,;-1.39,4.95,;-2.72,4.18,;-6,.58,;-6.32,-.93,;-7.66,-1.7,;-7.66,-3.24,;-6.32,-4.01,;-4.99,-3.24,;-4.99,-1.7,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNS(N)(=O)=O)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.37,;6.57,-3.46,;6.97,-4.95,;5.08,-3.06,;4.68,-1.57,;3.19,-1.18,;2.11,-2.26,;2.5,-3.75,;3.99,-4.15,;.62,-1.87,;-.47,-2.95,;-1.96,-2.56,;-2.36,-1.07,;-1.27,.02,;.22,-.38,;-3.84,-.67,;-4.47,.74,;-3.7,2.07,;-2.16,2.07,;-1.39,3.4,;.15,3.4,;-2.72,4.18,;-1.39,4.95,;-6,.58,;-6.32,-.93,;-7.66,-1.7,;-7.66,-3.24,;-6.32,-4.01,;-4.99,-3.24,;-4.99,-1.7,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN2CCS(=O)(=O)CC2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-3.7,;6.57,-4.79,;6.97,-6.28,;5.08,-4.39,;4.68,-2.91,;3.19,-2.51,;2.11,-3.6,;2.5,-5.09,;3.99,-5.48,;.62,-3.2,;-.47,-4.29,;-1.96,-3.89,;-2.36,-2.4,;-1.27,-1.31,;.22,-1.71,;-3.84,-2,;-4.47,-.6,;-3.7,.74,;-4.47,2.07,;-6.01,2.07,;-6.78,3.4,;-6.01,4.74,;-6.01,6.28,;-7.34,5.51,;-4.47,4.74,;-3.7,3.4,;-6,-.76,;-6.32,-2.26,;-7.66,-3.03,;-7.66,-4.57,;-6.32,-5.34,;-4.99,-4.57,;-4.99,-3.03,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CN2CCCC2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.82,;6.57,-3.91,;6.97,-5.39,;5.08,-3.51,;4.68,-2.02,;3.19,-1.62,;2.11,-2.71,;2.5,-4.2,;3.99,-4.6,;.62,-2.31,;-.47,-3.4,;-1.96,-3,;-2.36,-1.52,;-1.27,-.43,;.22,-.82,;-3.84,-1.12,;-4.47,.29,;-3.7,1.62,;-4.47,2.96,;-6,3.12,;-6.32,4.62,;-4.99,5.39,;-3.84,4.36,;-6,.13,;-6.32,-1.38,;-7.66,-2.15,;-7.66,-3.69,;-6.32,-4.46,;-4.99,-3.69,;-4.99,-2.15,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2cccnc2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.12,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;-2.16,4.84,;.15,3.51,;.92,2.18,;2.46,2.18,;3.23,3.51,;2.46,4.84,;.92,4.84,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2cnco2)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-2.27,;6.57,-3.36,;6.97,-4.84,;5.08,-2.96,;4.68,-1.47,;3.19,-1.07,;2.11,-2.16,;2.5,-3.65,;3.99,-4.05,;.62,-1.76,;-.47,-2.85,;-1.96,-2.45,;-2.36,-.96,;-1.27,.13,;.22,-.27,;-3.84,-.57,;-4.47,.84,;-3.7,2.18,;-2.16,2.18,;-1.39,3.51,;-2.16,4.84,;.15,3.51,;.92,4.84,;2.45,4.5,;2.6,3,;1.18,2.38,;-6,.68,;-6.32,-.83,;-7.66,-1.6,;-7.66,-3.14,;-6.32,-3.91,;-4.99,-3.14,;-4.99,-1.6,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)n1c(CNC(=O)c2ccc(o2)C(F)(F)F)cc2ccccc12 |r,wD:3.2,6.9,(7.66,-3.38,;6.57,-4.47,;6.97,-5.96,;5.08,-4.07,;4.68,-2.58,;3.19,-2.19,;2.11,-3.27,;2.5,-4.76,;3.99,-5.16,;.62,-2.88,;-.47,-3.96,;-1.96,-3.57,;-2.36,-2.08,;-1.27,-.99,;.22,-1.39,;-3.84,-1.68,;-4.47,-.27,;-3.7,1.06,;-2.16,1.06,;-1.39,2.39,;-2.16,3.73,;.15,2.39,;1.19,1.27,;2.6,1.89,;2.45,3.38,;.92,3.73,;3.54,4.47,;3.14,5.96,;5.03,4.07,;4.63,5.56,;-6,-.43,;-6.32,-1.94,;-7.66,-2.71,;-7.66,-4.25,;-6.32,-5.02,;-4.99,-4.25,;-4.99,-2.71,)|
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(Cl)cc12 |w:5.5|
Clc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
CC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Clc1ccccc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2CCc2ccccc12
Clc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
O=C1NCN(c2ccccc2)C11CCN(Cc2ccccc2)CC1
Clc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
O=C1NCN(c2ccccc2)C11CCN(CC2CCCCC2)CC1
Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
Fc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(F)c1
Clc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
CCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
Clc1cccc(c1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1
Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccncc2)CC1
CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1F
CCCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Fc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 |w:7.8|
O=C1NCN(c2ccccc2)C11CCN(Cc2cccnc2)CC1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccccn2)CC1
Fc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CC1)C(C1CCCC1)c1ccccc1 |w:17.19|
O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2cc(Cl)c(Cl)cc12 |w:5.5|
CC(C)CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Cc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1C
CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(F)cc12 |w:5.5|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1c2ccccc2C=Cc2ccccc12 |c:28|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCc2ccccc12 |w:17.19|
CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccc(C)cc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1nccs1
CC(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C#N
COc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:7.8|
CCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br |w:15.16|
Cc1cccc(c1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CC1(C)CCC(N2CCC(O)(CC2)c2ccccc2CN)c2ccccc12 |w:5.5|
CCCCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Cc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CCCCC1
OCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)C1CC1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccs1
CCNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
OC1(CCCc2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
OC1(Cc2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1
COc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
COc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccco1
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1C
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Br)c1ccccc1Br
CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
CC(C)(C)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CN(C)c1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCOCC1
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
CNCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
CCCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:5.4|
CN1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1
CNC(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
Cc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
Cc1ccsc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CCCCC(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1 |w:4.3|
NCc1ccccc1C1(O)CCN(CC1)C(c1cccc(F)c1)c1cccc(F)c1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1F
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Cl |w:15.16|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccn1
Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1CN)c1ccc(C)cc1
CCCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1cccc(F)c1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
CCCCCCC1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CCc1ccc(cc1)C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1
CN(C)C(CNC(=O)NCc1cccc(Cl)c1)c1cccc(F)c1
C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1C[C@@H]2C[C@H]1CN2CCO |r|
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)(C)C1
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1
CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
O[C@H]1C[C@H](CN2CCC(CC2)c2c(Cl)cccc2Cl)CCc2cccnc12 |r|
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2Cl)CCc2cccnc12 |r|
O[C@H]1CN(C[C@H]2C[C@H](O)c3ncccc3C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 |r|
O[C@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@@H]1c1ccc(F)cc1Cl |r|
C[C@@H]1CN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC[C@H]1c1ccccc1C |r|
Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO |r|
Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O |r|
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 |r|
Cc1ccccc1C1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)CC1 |r|
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 |r|
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 |r|
CC1(CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1)c1ccccc1 |r|
O[C@H]1C[C@H](CN2CCC(CC2)c2ccccc2)CCc2cccnc12 |r|
Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 |r|
Cc1cc(F)ccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
Cc1ccccc1[C@H]1CCN(C[C@H]2C[C@H](O)c3ncccc3C2)C[C@@H]1O |r|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:1:2:9:5.6,THB:25:2:9:5.6|
CNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:2:3:10:6.7,THB:26:3:10:6.7|
CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:3:4:11:7.8,THB:27:4:11:7.8|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
COC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |r,TLB:5:6:13:9.10,THB:29:6:13:9.10|
CN(CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1)C(C)=O |r,TLB:2:3:10:6.7,THB:26:3:10:6.7|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(CN1CCCC1)(C2)c1ccccc1)c1ccccc1Cl |r,TLB:22:14:8:10.11,THB:15:14:8:10.11|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(CN1CCCC1=O)(C2)c1ccccc1)c1ccccc1Cl |r,TLB:23:14:8:10.11,THB:15:14:8:10.11|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
COc1ccc(cc1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,THB:5:8:20:16.17|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC1(CNc3ccccc13)C2)c1ccccc1Cl |r,THB:15:14:8:10.11|
Fc1ccc2NCC3(C[C@@H]4CC[C@@H](C3)N4C(c3ccccc3Cl)c3ccccc3Cl)c2c1 |r,TLB:6:7:14:10.11|
Cc1ccc2NCC3(C[C@@H]4CC[C@@H](C3)N4C(c3ccccc3Cl)c3ccccc3Cl)c2c1 |r,TLB:6:7:14:10.11|
NCC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:1:2:16:12.13,3:2:16:12.13|
CC(=O)NCC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:4:5:19:15.16,6:5:19:15.16|
CCNCC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:3:4:18:14.15,5:4:18:14.15|
CN(C)CC1(Cc2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:3:4:18:14.15,5:4:18:14.15|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(CN1CCCC1)(Cc1ccccc1)C2)c1ccccc1Cl |r,THB:15:14:8:10.11,21:14:8:10.11|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(CN1CCCC1=O)(Cc1ccccc1)C2)c1ccccc1Cl |r,THB:15:14:8:10.11,22:14:8:10.11|
NCC1(Cc2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:1:2:17:13.14,3:2:17:13.14|
CC(=O)NCC1(Cc2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:4:5:20:16.17,6:5:20:16.17|
Fc1ccc(CC2(CN3CCCC3)C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 |r,TLB:7:6:19:15.16,5:6:19:15.16|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:1:2:9:5.6,25:2:9:5.6|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
CCNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:3:4:11:7.8,27:4:11:7.8|
CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccn1 |r,TLB:3:4:11:7.8|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(F)n1 |r,TLB:1:2:9:5.6|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(F)n1 |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
CN(C)CC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(F)n1 |r,TLB:3:4:11:7.8|
COc1cccc(n1)C1(CN)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:17:13.14|
COc1cccc(n1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17,6:8:20:16.17|
CCNCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccc(OC)n1 |r,TLB:3:4:11:7.8|
Cc1cccnc1C1(CN)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:16:12.13,6:7:16:12.13|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccc1C |r,TLB:4:5:12:8.9,THB:28:5:12:8.9|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccc1CN1CCCCC1 |r,TLB:1:2:9:5.6|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ncccc1CN1CCCCC1 |r,TLB:4:5:12:8.9|
COc1ccc(nc1)C1(CNC(C)=O)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:8:20:16.17|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Br)cn1 |r,TLB:4:5:12:8.9|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(cn1)N1CCCCC1 |r,TLB:4:5:12:8.9|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |r,TLB:1:2:9:5.6,25:2:9:5.6|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:2:9:5.6,25:2:9:5.6|
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:4:5:12:8.9,28:5:12:8.9|
[H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)NC(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:22:3.2|
[H][C@]12CC[C@]([H])(C[C@@](CNC(C)=O)(C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)cc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1nc(F)ccc1F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ncc(F)cc1F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(F)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(CF)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cc(C(O)=O)c(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
[H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:16:3.2|
[H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(NC(C)=O)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
COC(=O)NC1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cn1 |r,TLB:4:5:12:8.9|
[H][C@]12CC[C@]([H])(C[C@](C1)(NC(=O)OC)c1ccc(Cl)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(N(C)C)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@](Cc3ccc(Cl)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(F)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
[H][C@]12CC[C@]([H])(C[C@](CC(N)=O)(Cc3ccc(O)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:21:3.2|
[H][C@]12CC[C@]([H])(C[C@](N)(Cc3ccc(Cl)cc3)C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(Br)nc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
NC(=O)C1(C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CCCCN1 |r,TLB:1:3:10:6.7|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(OC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(N)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C#N)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:20:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(F)(F)F)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:21:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccc(cn1)C(=O)OC)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:3.2|
[H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:19:3.2|
COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1 |t:17,THB:13:12:6:8.9|
NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnn1 |TLB:0:1:8:4.5|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cncs1 |TLB:0:1:8:4.5|
OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Clc1ccccc1C(N1C2CCC1CC(CN=O)(C2)c1ccccc1)c1ccccc1Cl |THB:15:14:8:10.11|
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1 |TLB:1:3:10:6.7|
Clc1ccccc1C(N1C2CCC1CC(C2)(NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 |TLB:8:7:15:11.12|
OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:8:4.5|
COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C |THB:15:14:8:10.11|
OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl |TLB:0:1:8:4.5|
C[C@@H]1CN(CC[C@@]1(O)c1ccccc1)C(c1ccccc1)c1ccccc1 |r|
C[C@H]1CN(CC[C@@]1(O)c1ccccc1)C(c1ccccc1)c1ccccc1 |r|
OC1(CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1 |TLB:0:1:4.5.6:9,THB:23:1:4.5.6:9|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:0:1:8:4.5|
Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl |TLB:8:7:15:11.12|
Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1 |THB:13:12:6:8.9|
OC1(C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1 |TLB:24:1:7.8.6:3.4,THB:0:1:7.8.6:3.4,9:7:1:3.4|
Cc1ccnc(c1)C1(O)C2CCC1CN(C2)C(c1ccccc1Cl)c1ccccc1Cl |TLB:5:7:14.15.13:10.11,THB:8:7:14.15.13:10.11,16:14:7:10.11|
FCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:2:9:5.6|
Clc1ccccc1C(N1C2CCC1CC(C2)(C#N)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
OC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:5:12:8.9|
Clc1ccccc1C(N1C2CCC1CC(C2)(c1nnc[nH]1)c1ccccc1)c1ccccc1Cl |THB:16:14:8:10.11|
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1 |TLB:1:3:10:6.7|
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Br)cc1 |TLB:1:3:10:6.7|
COc1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:31:8:15:11.12|
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 |TLB:1:3:10:6.7|
NC(=O)c1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O |TLB:32:9:16:12.13|
CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:2:4:11:7.8|
CCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:3:5:12:8.9|
CC(C)NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:4:6:13:9.10|
COCCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
CC(O)CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:5:7:14:10.11|
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)C1CCCCN1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1CC#N)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1)c1ccccc1Cl |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(Br)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(C)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(O)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccc(SC)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1C)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1Br)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccc1CN1CCCCC1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:22:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cc(C)ccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(F)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(C)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:16:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccc(OC)n1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:17:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccccc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cccnc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1ncccn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:15:2.3|
[H][C@]12CC[C@]([H])(C[C@@H](C1)c1cnco1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:14:2.3|
CC(=O)N1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cnc(C)c(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)[nH]nc1-c1cnc(C)c(F)c1 |r|
CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 |r|
CC(C)n1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 |r|
Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(Cl)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(c1)C(F)(F)F |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 |r|
CC(=O)Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cc(F)cc(F)c1 |r|
Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCO)c1-c1cc(F)cc(F)c1 |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,c:11,13,32,34,105,108,110,t:9,30,102|
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,c:11,13,32,34,105,108,110,t:9,30,102|
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,c:11,13,32,34,116,119,121,t:9,30,113|
C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,c:11,13,32,34,114,117,119,t:9,30,111|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Clc1ccc(cc1)-c1cc(CNC2CCCC2)nn1-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
Cn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(-1.73,-15.81,;-3.27,-15.66,;-4.04,-14.33,;-3.42,-12.92,;-1.89,-12.75,;-1.27,-11.34,;.23,-11.02,;.38,-9.48,;-1.03,-8.87,;-2.05,-10.02,;-5.55,-14.66,;-5.7,-16.18,;-4.29,-16.81,;-3.97,-18.31,;-5.11,-19.34,;-4.79,-20.84,;-3.32,-21.32,;-2.99,-22.82,;-2.18,-20.27,;-2.51,-18.77,;-1.37,-17.73,;-7.03,-16.96,;-8.37,-16.19,;-9.7,-16.97,;-9.7,-18.51,;-11.03,-19.28,;-8.37,-19.28,;-7.03,-18.51,)|
Clc1ccc(cc1)-c1nc(CNC2CCCC2)cn1-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1sc(CNC2CCCC2)nc1-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1oc(CNC2CCCC2)nc1-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1nc(CNC2CCCC2)nn1-c1ccc(Cl)cc1Cl
Cc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
Cc1c(CNC2CCCC2)oc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Cc1nn(c(C)c1CNC1CCCC1)-c1ccccc1
Cc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1
Cn1c(CNC2CCCC2)nnc1-c1cc(F)cc(F)c1
Cc1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
Cc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CC(C)c1c(CNC2CCCC2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 |r|
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1 |r|
CCn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)(C)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1c(nc(CNC2CCCC2)n1C1CC1)-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1c(nc(CNC2CCCC2)n1C1CCC1)-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1c(nc(CNC2CCCC2)n1C1CCCC1)-c1ccc(Cl)cc1Cl
Clc1ccc(cc1)-c1c(nc(CNC2CCCC2)n1C1CCCCC1)-c1ccc(Cl)cc1Cl
CCC(CC)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)Cn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
FCCn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
FC(F)Cn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
FC(F)(F)Cn1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
FCC(CF)n1c(CNC2CCCC2)nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
CC(C)n1c(CNC2CCCC2)nc(C)c1-c1ccc(Cl)cc1
COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 |r|
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCCCCC2)C1=O |t:6|
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCCCCCCCC2)c2ccccc12
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(46.18,10.07,;44.85,9.29,;44.85,7.75,;46.18,6.98,;43.52,6.97,;43.52,5.43,;44.84,4.67,;44.85,3.15,;46.19,2.39,;46.19,.84,;44.85,.07,;43.52,.84,;43.52,2.38,;42.2,3.14,;40.87,2.37,;39.53,3.13,;38.21,2.36,;38.2,.82,;39.54,.06,;40.88,.83,;36.87,.06,;35.53,.83,;34.2,.07,;34.2,-1.47,;35.53,-2.24,;36.87,-1.48,;32.86,-2.24,;31.53,-1.46,;32.85,-3.78,;42.2,4.67,;40.7,4.27,;41.42,6,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wD:19.20,22.27,(27.93,-11.32,;26.39,-11.32,;25.62,-12.66,;26.39,-13.99,;24.08,-12.66,;23.31,-13.99,;23.64,-15.49,;24.98,-16.26,;24.98,-17.81,;23.65,-18.58,;22.31,-17.81,;22.32,-16.26,;21.17,-15.25,;19.85,-16.03,;18.51,-15.26,;17.19,-16.03,;17.19,-17.57,;18.53,-18.34,;19.86,-17.56,;15.86,-18.35,;15.87,-19.89,;14.53,-20.66,;13.19,-19.89,;13.2,-18.35,;14.52,-17.58,;11.86,-20.66,;10.53,-19.89,;11.86,-22.2,;21.78,-13.84,;21.01,-12.52,)|
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(3.05,-10.56,;1.51,-10.56,;.74,-11.9,;1.51,-13.23,;-.8,-11.9,;-1.57,-13.23,;-1.24,-14.73,;.1,-15.49,;.11,-17.04,;-1.23,-17.81,;-2.56,-17.04,;-2.56,-15.5,;-3.7,-14.48,;-5.03,-15.26,;-6.36,-14.5,;-7.69,-15.27,;-7.69,-16.81,;-6.35,-17.58,;-5.01,-16.8,;-9.02,-17.59,;-10.35,-16.82,;-11.68,-17.59,;-11.68,-19.13,;-10.35,-19.9,;-9.01,-19.13,;-13.02,-19.89,;-14.35,-19.12,;-13.03,-21.43,;-3.09,-13.08,;-2.7,-11.58,;-4.43,-12.31,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@H]2CC[C@@H](CC2)C(C)C)c1=O |r,wU:22.27,wD:19.20,(8.4,-11.09,;6.86,-11.09,;6.09,-12.42,;6.86,-13.76,;4.55,-12.43,;3.78,-13.76,;4.11,-15.26,;5.45,-16.02,;5.46,-17.57,;4.12,-18.34,;2.79,-17.57,;2.79,-16.03,;1.64,-15.01,;.32,-15.79,;-1.02,-15.03,;-2.34,-15.8,;-2.34,-17.34,;-1,-18.11,;.34,-17.33,;-3.67,-18.12,;-5.01,-17.35,;-6.33,-18.12,;-6.34,-19.66,;-5,-20.43,;-3.66,-19.66,;-7.67,-20.43,;-9,-19.66,;-7.67,-21.97,;2.26,-13.61,;1.48,-12.28,)|
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)C)C1=O |t:6,(32.48,6.39,;30.94,6.4,;30.17,5.06,;30.93,3.73,;28.63,5.07,;27.85,3.74,;28.33,2.27,;27.09,1.36,;27.1,-.17,;25.77,-.94,;25.77,-2.49,;27.1,-3.26,;28.44,-2.48,;28.43,-.93,;25.84,2.27,;25.06,3.61,;23.52,3.6,;22.75,2.26,;23.52,.93,;25.07,.93,;21.21,2.27,;20.44,3.61,;18.91,3.61,;18.13,2.28,;18.9,.94,;20.44,.94,;16.59,2.28,;15.82,3.62,;15.82,.95,;26.31,3.73,;25.4,4.98,)|
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCC2)S1(=O)=O
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)C)c2ccccc12 |(5.88,4.99,;4.55,5.76,;3.21,4.99,;3.21,3.45,;1.88,5.76,;.55,5,;-.77,5.77,;-.77,7.31,;-2.1,5,;-2.11,3.48,;-3.45,4.25,;-4.77,3.48,;-4.78,1.93,;-3.44,1.16,;-2.1,1.94,;-6.11,1.16,;-7.45,1.94,;-8.78,1.18,;-8.79,-.37,;-7.46,-1.14,;-6.11,-.37,;-10.11,-1.13,;-11.45,-.36,;-10.11,-2.67,;-.78,2.71,;-.78,1.17,;.55,.4,;1.89,1.17,;1.88,2.72,;.54,3.48,)|
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |t:6,(25.94,-40.59,;24.4,-40.58,;23.63,-41.91,;24.4,-43.25,;22.09,-41.91,;21.32,-43.24,;21.8,-44.7,;20.55,-45.61,;20.56,-47.15,;19.24,-47.92,;19.23,-49.46,;20.57,-50.23,;21.9,-49.46,;21.9,-47.91,;19.3,-44.7,;18.52,-43.37,;16.98,-43.37,;16.21,-44.71,;16.99,-46.05,;18.54,-46.05,;14.67,-44.7,;13.9,-43.37,;12.37,-43.37,;11.6,-44.7,;12.37,-46.03,;13.91,-46.04,;10.06,-44.7,;9.29,-43.36,;9.28,-46.03,;10.46,-43.21,;19.78,-43.24,;18.87,-42,)|
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCC3CCCCC3C2)C1=O |t:6|
CNC(=O)CN1c2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCC(CC2)C(C)(C)C)c2ccccc12 |(6.46,-42.43,;5.12,-41.66,;3.79,-42.42,;3.78,-43.96,;2.46,-41.65,;1.12,-42.42,;-.2,-41.65,;-.2,-40.11,;-1.52,-42.41,;-1.53,-43.94,;-2.87,-43.17,;-4.2,-43.94,;-4.2,-45.48,;-2.86,-46.25,;-1.52,-45.48,;-5.53,-46.25,;-6.88,-45.47,;-8.21,-46.24,;-8.21,-47.78,;-6.88,-48.55,;-5.54,-47.79,;-9.54,-48.54,;-10.87,-47.77,;-9.54,-50.08,;-9.94,-47.06,;-.2,-44.7,;-.21,-46.24,;1.13,-47.01,;2.46,-46.24,;2.46,-44.69,;1.12,-43.94,)|
CNC(=O)CN1N=C(c2ccccc2)C2(CCN(CC2)C2CCCCCC2)C1=O |t:6|
CNC(=O)CN1C(=O)OC2(CCN(CC2)C2CCCCCC2)c2ccccc12
CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |(14.47,8.87,;13.14,8.09,;13.14,6.55,;14.47,5.78,;11.81,5.78,;11.81,4.24,;13.13,3.47,;13.14,1.95,;14.48,1.2,;14.48,-.35,;13.14,-1.13,;11.81,-.35,;11.81,1.19,;10.49,1.94,;9.16,1.17,;7.82,1.94,;6.5,1.17,;6.49,-.37,;7.83,-1.14,;9.17,-.37,;5.16,-1.14,;3.82,-.36,;2.49,-1.13,;2.49,-2.67,;3.82,-3.44,;5.16,-2.67,;1.15,-3.43,;-.18,-2.66,;1.14,-4.97,;10.49,3.47,;9.15,4.24,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc4ccccc4c3)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc4ccccc4n3)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3nccc4ccccc34)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3cccc4ccccc34)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)(C)C)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CCCC(C)C)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)C)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC3CCCCC3)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC3CCC3)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CC3CCC2C3)c1=O |TLB:16:19:25:22.23|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC3CCCCC3C2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(CC2)c2ccccc2)c1=O |(34.22,-20.61,;32.68,-20.6,;31.9,-21.92,;33.26,-22.63,;30.36,-21.91,;29.58,-23.24,;28.11,-23.72,;26.78,-22.95,;25.45,-23.72,;25.44,-25.27,;26.78,-26.04,;28.11,-25.26,;29.58,-25.73,;30.35,-27.07,;29.58,-28.4,;30.34,-29.72,;31.88,-29.73,;32.65,-28.39,;31.88,-27.05,;32.65,-31.06,;31.87,-32.39,;32.63,-33.72,;34.17,-33.73,;34.95,-32.39,;34.19,-31.05,;34.94,-35.06,;34.16,-36.39,;34.92,-37.73,;36.46,-37.74,;37.24,-36.4,;36.47,-35.07,;30.48,-24.49,;32.02,-24.49,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2(C)C)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(CC2)C(C)(C)C)c1=O |(11.59,-20.2,;10.05,-20.19,;9.27,-21.51,;10.63,-22.22,;7.73,-21.5,;6.95,-22.83,;5.48,-23.3,;4.15,-22.54,;2.82,-23.31,;2.82,-24.85,;4.15,-25.63,;5.49,-24.85,;6.95,-25.32,;7.73,-26.65,;6.95,-27.98,;7.72,-29.31,;9.26,-29.32,;10.03,-27.98,;9.26,-26.64,;10.02,-30.65,;9.25,-31.97,;10.01,-33.3,;11.55,-33.31,;12.32,-31.98,;11.56,-30.64,;12.31,-34.65,;11.53,-35.98,;13.85,-34.66,;10.82,-35.04,;7.86,-24.07,;9.4,-24.07,)|
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(C)(C)CC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC2(C)C)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC3(CCCCC3)C2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCCCC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCCC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCCC2)c1=O
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCCC2)c1=O
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6]-1=O)-[#6](-[#7])=O |r|
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[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-1=O)-[#6](-[#7])=O |r|
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1
CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN1CN(c3ccccc3)C3(CCN(CC3)[C@@H]3CC[C@@H](CC3)C(C)C)C1=O)C2=O)c1ccccc1 |r,wU:42.45,45.52,6.9,3.2,(-6.97,3.8,;-6.2,2.46,;-6.98,1.13,;-4.66,2.46,;-3.89,3.78,;-2.35,3.78,;-1.59,2.44,;-2.37,1.11,;-3.91,1.12,;-.05,2.43,;.71,1.08,;2.24,1.07,;3.03,2.39,;2.27,3.74,;.73,3.75,;3.8,1.06,;5.3,1.37,;5.46,2.9,;6.8,3.67,;8.13,2.89,;9.46,3.66,;10.8,2.88,;12.13,3.65,;13.47,2.88,;14.8,3.66,;16.13,2.89,;17.47,3.67,;18.8,2.9,;18.97,1.37,;20.47,1.06,;21.09,-.34,;22.63,-.5,;23.26,-1.9,;22.36,-3.15,;20.82,-2.99,;20.19,-1.58,;21.23,2.39,;22.02,1.07,;23.55,1.08,;24.31,2.43,;23.54,3.75,;21.99,3.74,;25.85,2.44,;26.63,1.11,;28.17,1.12,;28.93,2.46,;28.15,3.78,;26.61,3.78,;30.47,2.46,;31.23,3.8,;31.24,1.13,;20.2,3.53,;20.52,5.03,;4.06,3.53,;3.75,5.03,;3.17,-.34,;1.64,-.5,;1,-1.9,;1.91,-3.15,;3.45,-2.99,;4.07,-1.58,)|
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN(C)C)C2=O)c1ccccc1 |r,wU:6.9,3.2,(13.12,-7.89,;13.88,-9.22,;13.1,-10.55,;15.42,-9.23,;16.2,-7.9,;17.74,-7.9,;18.5,-9.25,;17.72,-10.58,;16.18,-10.56,;20.04,-9.26,;20.8,-10.61,;22.33,-10.62,;23.12,-9.3,;22.36,-7.95,;20.81,-7.93,;23.88,-10.63,;25.38,-10.31,;25.55,-8.79,;26.88,-8.02,;28.21,-8.8,;29.55,-8.03,;30.88,-8.8,;32.22,-8.04,;33.55,-8.8,;34.89,-8.03,;36.22,-8.8,;37.55,-8.02,;38.89,-8.79,;38.89,-10.33,;40.22,-8.02,;24.15,-8.16,;23.83,-6.66,;23.26,-12.03,;21.72,-12.19,;21.09,-13.59,;21.99,-14.84,;23.53,-14.68,;24.16,-13.27,)|
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
CCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:4.3,11:12:18:16.15|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
CCC(C)(C)[C@](C)(O)[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(cc1)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:31.30:4.3|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Br |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(O[C@@H]2[C@@]35CCN1CC1CC1)c(O)cc4Cl |r|
CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-2.69,;7.31,-2.69,;8.06,-4.02,;7.31,-5.35,;5.77,-5.35,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCC1
CCC[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-5.35,;8.08,-5.35,;8.83,-4.02,;8.08,-2.69,;6.54,-2.69,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCCC1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCC1
C[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:4.7,wD:1.0,(3.06,-4.01,;4.6,-4.02,;5.37,-5.35,;6.93,-5.35,;7.68,-4.02,;6.91,-2.69,;5.37,-2.69,;9.22,-4.02,;9.99,-2.68,;11.53,-2.67,;12.28,-4.01,;11.53,-5.34,;9.99,-5.34,;13.18,-5.26,;14.65,-4.79,;14.65,-3.25,;13.19,-2.76,;12.72,-1.31,;12.72,-6.7,;11.2,-7.03,;10.73,-8.49,;11.76,-9.64,;13.26,-9.32,;13.74,-7.85,)|
C[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:4.7,1.0,(3.06,-4.01,;4.6,-4.02,;5.37,-2.69,;6.91,-2.69,;7.68,-4.02,;6.93,-5.35,;5.37,-5.35,;9.22,-4.02,;9.99,-2.68,;11.53,-2.67,;12.28,-4.01,;11.53,-5.34,;9.99,-5.34,;13.18,-5.26,;14.65,-4.79,;14.65,-3.25,;13.19,-2.76,;12.72,-1.31,;12.72,-6.7,;11.2,-7.03,;10.73,-8.49,;11.76,-9.64,;13.26,-9.32,;13.74,-7.85,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,wD:20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.47,-5.35,;6.91,-5.35,;6.14,-4.02,;6.91,-2.69,;8.45,-2.69,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCC1
CC(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,wD:3.2,(2.69,-2.68,;3.46,-4.01,;2.69,-5.35,;5,-4.02,;5.77,-5.35,;7.31,-5.35,;8.06,-4.02,;7.31,-2.69,;5.77,-2.69,;9.6,-4.02,;10.37,-2.68,;11.91,-2.67,;12.68,-4.01,;11.91,-5.34,;10.37,-5.34,;13.56,-5.26,;15.03,-4.79,;15.03,-3.25,;13.59,-2.76,;13.1,-1.31,;13.1,-6.7,;11.58,-7.03,;11.11,-8.49,;12.14,-9.64,;13.66,-9.32,;14.12,-7.85,)|
CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)|
CC(C)(C)[C@H]1CC[C@@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:7.10,wD:4.3,(3.06,-2.68,;3.83,-4.01,;3.06,-5.35,;2.29,-4,;5.37,-4.02,;6.14,-5.35,;7.7,-5.35,;8.45,-4.02,;7.68,-2.69,;6.14,-2.69,;9.99,-4.02,;10.76,-2.68,;12.3,-2.67,;13.05,-4.01,;12.3,-5.34,;10.76,-5.34,;13.95,-5.26,;15.42,-4.79,;15.42,-3.25,;13.96,-2.76,;13.49,-1.31,;13.49,-6.7,;14.51,-7.85,;14.03,-9.32,;12.53,-9.64,;11.5,-8.49,;11.97,-7.03,)|
CCC[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |wU:6.9,3.2,(1.92,-2.67,;3.46,-2.68,;4.23,-4.01,;5.77,-4.02,;6.54,-2.69,;8.08,-2.69,;8.83,-4.02,;8.08,-5.35,;6.54,-5.35,;10.37,-4.02,;11.14,-2.68,;12.68,-2.67,;13.45,-4.01,;12.68,-5.34,;11.14,-5.34,;14.33,-5.26,;15.8,-4.79,;15.8,-3.25,;14.36,-2.76,;13.87,-1.31,;13.87,-6.7,;12.35,-7.03,;11.88,-8.49,;12.91,-9.64,;14.43,-9.32,;14.89,-7.85,)|
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
CCCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
CCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc(Cl)c1
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cccc(F)c1
Cc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1)c1cccc(Cl)c1
Cc1ccc(cc1)C(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccc(C)cc1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1
CCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(Cl)c1
CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1
CCCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
CCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
Cc1ccc(cc1F)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)[C@H](N)[C@@H]1CCN1C(c1ccccc1)c1ccccc1
CC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1cc(F)cc(F)c1
CCCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
N[C@@H]([C@@H]1CCN1C(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F)c1cccc(Cl)c1
N[C@@H]([C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1)c1cccc(Cl)c1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(F)c1
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1
N[C@@H]([C@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
CCCCC(N1CC[C@H]1[C@H](N)c1cccc(Cl)c1)c1cccc(F)c1
N[C@@H]([C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1)c1cccc(Cl)c1
CCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
CCCCC(N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1)c1ccccc1
O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2C2CCCCC2)C1
O=c1[nH]c2ccccc2n1[C@@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
CCn1c2ccccc2n([C@@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O
CC(C)C1CCC(CC1)N1CCC2(CC1)[C@@H]1CN(C)C[C@@H]1CC2c1ccccc1 |wD:15.17,20.21,(-1,-1.94,;-.25,-.59,;-1.04,.74,;1.29,-.57,;2.08,-1.9,;3.62,-1.87,;4.37,-.54,;3.58,.79,;2.04,.76,;5.91,-.52,;6.66,.82,;8.2,.83,;8.98,-.5,;8.22,-1.83,;6.68,-1.85,;9.88,.76,;9.88,2.29,;11.32,2.77,;11.79,4.24,;12.23,1.53,;11.34,.3,;11.36,-1.24,;9.9,-1.73,;9.43,-3.2,;10.48,-4.32,;10.02,-5.79,;8.52,-6.14,;7.47,-5,;7.94,-3.53,)|
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC3CCCCC3C2)C1=O
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O |wU:3.2,wD:8.9,(-1.76,5.37,;-3.26,5.05,;-3.74,3.6,;-5.19,3.12,;-6.52,3.89,;-7.86,3.12,;-7.86,1.58,;-6.52,.81,;-5.19,1.58,;-3.74,1.11,;-3.33,-.37,;-4.42,-1.47,;-4.01,-2.93,;-2.51,-3.33,;-1.44,-2.24,;-1.86,-.75,;-2.1,-4.82,;-.6,-5.19,;-.18,-6.69,;-1.26,-7.8,;-2.76,-7.41,;-3.18,-5.92,;-.85,-9.28,;.64,-9.66,;-1.92,-10.37,;-2.83,2.34,;-1.3,2.34,)|
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCCCCCC1
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccccc3)CC2)C1=O
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-2.39,-9.62,;-1.32,-8.52,;.17,-8.9,;-1.72,-7.04,;-.64,-5.94,;-1.06,-4.43,;-2.56,-4.06,;-3.65,-5.17,;-3.23,-6.66,;-2.98,-2.57,;-1.9,-1.49,;-2.32,-.01,;-3.79,.39,;-4.88,-.71,;-4.47,-2.17,;-4.21,1.86,;-5.66,2.34,;-6.98,1.58,;-8.33,2.34,;-8.33,3.88,;-6.98,4.65,;-5.66,3.88,;-4.21,4.35,;-3.3,3.1,;-1.76,3.09,)|
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(Cc3ccc4ccccc4c3)CC2)C1=O
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C(C)CCC(C)C)C1=O
CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2N(CC)C1=O |wU:21.24,wD:16.17,(.75,-13.1,;.33,-11.62,;1.41,-10.51,;1,-9.03,;-.5,-8.65,;-.92,-7.16,;.16,-6.04,;1.66,-6.42,;2.08,-7.93,;-.26,-4.55,;-1.75,-4.16,;-2.16,-2.69,;-1.07,-1.59,;.4,-1.99,;.82,-3.47,;-1.48,-.12,;-2.94,.37,;-4.27,-.4,;-5.61,.37,;-5.61,1.9,;-4.27,2.67,;-2.94,1.9,;-1.48,2.37,;-1,3.84,;.5,4.15,;-.57,1.12,;.96,1.11,)|
CC(C)CCC(C)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCCCCCC2)C1=O
CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O |wU:21.24,wD:16.17,(-1.19,-11.31,;-1.6,-9.82,;-.53,-8.73,;-.93,-7.25,;.15,-6.15,;-.27,-4.65,;-1.77,-4.28,;-2.85,-5.38,;-2.43,-6.87,;-2.19,-2.79,;-3.67,-2.39,;-4.08,-.93,;-3,.16,;-1.53,-.22,;-1.11,-1.71,;-3.41,1.64,;-4.86,2.12,;-6.19,1.35,;-7.53,2.12,;-7.53,3.65,;-6.19,4.42,;-4.86,3.65,;-3.41,4.13,;-2.5,2.88,;-.97,2.88,)|
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC3CCCCCCC3)CC2)C1=O
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)C1=O
[H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Oc1ccc2C[C@@H]3[C@@H]4c5[nH]c6ccccc6c5C[C@@H]5Oc1c2[C@]45CCN3CC1CC1
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Cc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
OCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Clc1ccc2CCC(Cc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc2C1
Clc1ccc2CC(CCc2c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCc2ccccc12
COCN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3cccc(Cl)c3C2)C1=O
Clc1cccc2CC(CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(CC=C)C2=O)c1ccccc1
Clc1ccc(Cl)c2C[C@@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(Cl)c2CC(CCc12)N1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCc2ccccc12
Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Clc1ccc(Cl)c2C[C@H](CCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1
CN1CN(c2ccccc2)C2(CCN(CC2)C2CCc3c(Cl)ccc(Cl)c3C2)C1=O
CCC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)CCc3ccccc3)C(=O)OC
Clc1cccc2CCC(Cc12)N1CCC2(CC1)N(CN(CC(=O)c1ccccc1)C2=O)c1ccccc1
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3nsnc3c2)CC1
Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c(=O)c1=O
CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
COC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.13,4.69,;4.78,5.41,;3.47,4.62,;3.51,3.08,;2.11,5.35,;.8,4.55,;-.55,5.3,;-1.84,4.48,;-3.19,5.23,;-4.5,4.43,;-4.46,2.89,;-3.12,2.14,;-1.82,2.94,;-.46,2.24,;-.44,.69,;-1.74,-.1,;-1.72,-1.67,;-.37,-2.38,;.94,-1.6,;.92,-.05,;-.37,-3.93,;-1.7,-4.71,;-1.7,-6.25,;-.37,-7.02,;.97,-6.25,;.97,-4.71,;-.34,-8.56,;-1.67,-9.35,;1.01,-9.33,;.85,3.03,;2.32,3.43,;1.25,1.53,)|
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(N)=O)S1(=O)=O |(-1.46,-9.19,;-.14,-8.41,;1.2,-9.18,;-.16,-6.87,;-1.5,-6.08,;-1.5,-4.56,;-.16,-3.77,;1.17,-4.56,;1.17,-6.08,;-.16,-2.23,;-1.51,-1.52,;-1.54,.05,;-.23,.84,;1.12,.11,;1.15,-1.45,;-.27,2.4,;-1.61,3.1,;-2.92,2.29,;-4.25,3.04,;-4.3,4.6,;-2.99,5.39,;-1.64,4.64,;-.34,5.44,;1,4.71,;2.31,5.51,;3.67,4.77,;4.98,5.58,;3.7,3.22,;1.04,3.18,;2.53,3.59,;1.45,1.68,)|
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(7.68,-3.52,;7.37,-2.01,;8.54,-.99,;5.92,-1.52,;4.78,-2.53,;3.31,-2.06,;3,-.55,;4.15,.48,;5.61,-.01,;1.55,-.05,;1.24,1.44,;-.23,1.92,;-1.37,.89,;-1.05,-.62,;.41,-1.1,;-2.82,1.37,;-3.81,.18,;-3.27,-1.27,;-4.23,-2.46,;-5.77,-2.21,;-6.31,-.77,;-5.35,.44,;-5.89,1.87,;-4.9,3.06,;-3.37,2.81,;-1.84,2.96,;-3.52,4.37,)|
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O |(9.9,-1.55,;8.44,-1.05,;7.29,-2.09,;5.82,-1.6,;4.68,-2.62,;3.22,-2.13,;2.92,-.62,;4.05,.4,;5.52,-.09,;1.46,-.14,;.31,-1.18,;-1.14,-.68,;-1.45,.82,;-.32,1.84,;1.15,1.35,;-2.91,1.28,;-3.89,.09,;-3.36,-1.34,;-4.31,-2.53,;-5.86,-2.27,;-6.39,-.85,;-5.41,.35,;-5.97,1.8,;-4.99,2.99,;-3.45,2.73,;-1.93,2.87,;-3.59,4.27,)|
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2CNS1(=O)=O
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(7.16,-4.52,;7.03,-3.01,;8.3,-2.12,;5.65,-2.33,;4.36,-3.23,;2.95,-2.57,;2.84,-1.01,;4.1,-.12,;5.52,-.8,;1.42,-.33,;.15,-1.22,;-1.23,-.54,;-1.36,.99,;-.09,1.86,;1.3,1.2,;-2.74,1.64,;-4.02,.83,;-4.3,-.68,;-5.73,-1.19,;-6.92,-.19,;-6.65,1.3,;-5.21,1.83,;-4.62,3.25,;-3.09,3.13,;-1.6,3.41,;-3.39,4.62,)|
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCO)S1(=O)=O |(1.33,-9.05,;-.02,-8.29,;-1.35,-9.08,;-.04,-6.75,;-1.38,-5.98,;-1.38,-4.43,;-.04,-3.66,;1.31,-4.43,;1.31,-5.98,;-.04,-2.12,;-1.39,-1.4,;-1.42,.16,;-.11,.96,;1.24,.21,;1.27,-1.33,;-.14,2.49,;-1.49,3.2,;-2.79,2.4,;-4.13,3.14,;-4.17,4.68,;-2.86,5.48,;-1.52,4.74,;-.23,5.53,;1.12,4.82,;2.43,5.6,;3.78,4.87,;5.09,5.69,;1.17,3.28,;2.64,3.69,;1.56,1.8,)|
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC#N)S1(=O)=O |(1.34,-9.03,;-.02,-8.25,;-1.35,-9.05,;-.04,-6.71,;-1.37,-5.95,;-1.37,-4.4,;-.04,-3.62,;1.29,-4.4,;1.29,-5.95,;-.04,-2.07,;-1.39,-1.36,;-1.43,.21,;-.11,1.01,;1.25,.27,;1.27,-1.29,;-.14,2.55,;-1.49,3.27,;-2.8,2.46,;-4.13,3.2,;-4.18,4.75,;-2.87,5.54,;-1.51,4.79,;-.23,5.6,;1.13,4.86,;2.44,5.67,;3.8,4.95,;5.14,4.19,;1.17,3.34,;2.65,3.74,;1.57,1.85,)|
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(=O)OC(C)(C)C)S1(=O)=O |(-2.24,-9.73,;-.9,-8.94,;.44,-9.71,;-.93,-7.4,;-2.26,-6.62,;-2.26,-5.08,;-.93,-4.31,;.41,-5.08,;.41,-6.62,;-.94,-2.77,;-2.28,-2.04,;-2.31,-.48,;-1,.32,;.36,-.43,;.38,-1.97,;-1.02,1.86,;-2.38,2.56,;-3.69,1.77,;-5.02,2.52,;-5.07,4.06,;-3.76,4.86,;-2.4,4.11,;-1.11,4.9,;.24,4.18,;1.55,4.98,;2.91,4.25,;2.95,2.7,;4.22,5.04,;5.57,4.32,;4.85,2.96,;6.91,3.55,;6.34,5.65,;.29,2.66,;1.76,3.06,;.68,1.16,)|
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
CCCCN1Cc2ccccc2N(C2CCN(CC2)C2CCC(CC2)C(C)C)S1(=O)=O |(6.25,4.77,;4.89,5.53,;3.59,4.72,;2.23,5.45,;.92,4.65,;-.44,5.38,;-1.72,4.6,;-3.08,5.33,;-4.39,4.54,;-4.34,2.99,;-3.01,2.24,;-1.7,3.04,;-.34,2.34,;-.32,.8,;-1.63,,;-1.61,-1.57,;-.25,-2.29,;1.06,-1.5,;1.04,.05,;-.25,-3.83,;1.08,-4.61,;1.08,-6.15,;-.25,-6.92,;-1.58,-6.15,;-1.58,-4.61,;-.23,-8.46,;1.13,-9.24,;-1.56,-9.26,;.97,3.13,;2.44,3.55,;1.36,1.64,)|
CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CCNS(C)(=O)=O)S1(=O)=O |(.52,-9.66,;-.82,-8.88,;-2.15,-9.66,;-.84,-7.34,;.49,-6.56,;.49,-5.02,;-.84,-4.25,;-2.18,-5.02,;-2.18,-6.56,;-.84,-2.69,;-2.2,-1.98,;-2.23,-.41,;-.91,.39,;.44,-.35,;.48,-1.91,;-.94,1.94,;-2.29,2.65,;-3.6,1.84,;-4.94,2.59,;-4.99,4.14,;-3.69,4.93,;-2.32,4.18,;-1.02,4.99,;.34,4.26,;1.65,5.07,;3,4.33,;4.31,5.12,;5.67,4.4,;7.03,3.67,;6.78,5.47,;4.57,3.3,;.37,2.74,;1.86,3.13,;.77,1.24,)|
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCc2ccccc2C1
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1
O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)CCC(C)N1CCC(CC1)N1c2ccccc2NS1(=O)=O
O=S1(=O)Nc2ccccc2N1C1CCN(CC1)C1Cc2ccccc2C1
CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(9.58,-2.84,;8.2,-2.19,;6.93,-3.08,;5.55,-2.4,;4.26,-3.31,;2.86,-2.63,;2.74,-1.08,;4,-.17,;5.42,-.86,;1.32,-.4,;.05,-1.29,;-1.34,-.61,;-1.46,.92,;-.19,1.79,;1.21,1.13,;-2.84,1.57,;-4.13,.77,;-4.39,-.74,;-5.83,-1.26,;-7.01,-.26,;-6.74,1.23,;-5.3,1.76,;-4.73,3.18,;-3.18,3.06,;-1.69,3.34,;-3.48,4.55,)|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |THB:7:8:12:1.3.2,21:9:12:1.3.2|
CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C |c:11,TLB:21:22:10:26.24.25,6:7:10:26.24.25|
COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |TLB:19:20:8:24.22.23,4:5:8:24.22.23|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS([O-])(=O)=O |c:16,THB:7:8:12:1.3.2,17:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
C[N+]1(C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:17,THB:8:9:13:1.4.3,22:10:13:1.4.3|
C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1
O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1cccc(F)c1
Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
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C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1OC
COc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1C
OC1(CCN(CC1)C(c1ccccc1)c1cccc(c1)C(F)(F)F)c1ccccc1 |w:7.8|
CCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
OC(=O)c1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:9.10|
OC1(CCN(CC1)C(c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(C1CCCC1)c1ccccc1)c1ccccc1 |w:7.7|
COC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1
CCCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:6.5|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Br)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1cccs1)c1ccccc1)c1ccccc1 |w:7.7|
OC1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
OC1(CCN(CC1)C(Cc1ccccc1)c1ccccc1)c1ccccc1 |w:7.8|
CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:2.1|
OC1(CCN(Cc2ccccc2)CC1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(c1ccccc1)c1ccccn1)c1ccccc1 |w:7.7|
CC(C)CCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
OC1(CCN(CC1)C(c1ccccc1)c1cccc(Cl)c1)c1ccccc1 |w:7.7|
CCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
OC1(CCN(CC1)C(c1ccccc1F)c1ccccc1F)c1ccccc1
COC(=O)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.4|
OC1(CCN(CC1)C(c1ccccc1)c1cccnc1)c1ccccc1 |w:7.7|
OC1(CCN(CC1)C(C(=O)Nc1c(F)cccc1F)c1ccccc1)c1ccccc1 |w:7.20|
OC1(CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccccc1 |w:7.8|
COc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccc(OC)cc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1C(F)(F)F)c1ccccc1 |w:7.8|
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1F)c1ccccc1 |w:7.7|
COCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
C(OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Cc1cccc(c1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
OCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:2.1|
OC1(CCN(CC1)C(C#N)c1ccccc1)c1ccccc1 |w:7.8|
CCCCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:5.4|
OC1(CCN(CC1)C(c1ccccc1Br)c1ccccc1Br)c1ccccc1
OCc1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:8.9|
CCCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:3.2|
Cc1ccc(cc1)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:7.8|
CCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
OC1(CCN(CC1)C(c1ccccc1)c1ccccc1Cl)c1ccccc1 |w:7.7|
CC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:1.0|
CCOCC(N1CCC(O)(CC1)c1ccccc1)c1ccccc1 |w:4.3|
CCCOC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |TLB:51:53:56.55.60:58,THB:54:55:58:62.53.61,54:53:56.55.60:58,61:53:56:60.59.58,61:59:56:62.54.53,51:53:56:60.59.58|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)C([#6])([#6])[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
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[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
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[#6]-[#6]-[#6]-[#6](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
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COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
Fc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCNCC1
OCCN1CCN(CC1)c1cc2[nH]c(SC3CCCCC3)nc2cc1Cl
CCC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCC(CC)Sc1nc2cc(C#N)c(cc2[nH]1)N1CCNCC1
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCNCC1
CCC(CC)Sc1nc2cc(F)c(cc2[nH]1)N1CCNCC1
CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Cc1ccccc1CSc1nc2cc(F)c(cc2[nH]1)N1CCNCC1
Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1
Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1
Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1
CN1CCN(CC1)c1cc2[nH]c(SCc3ccc(F)cc3)nc2cc1F
CC(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
CCC(CC)Sc1nc2cc(C(C)=O)c(cc2[nH]1)N1CCNCC1
CCC(CC)Sc1nc2ccc(cc2[nH]1)N1CCNCC1
Fc1cc2nc([nH]c2cc1N1CCNCC1)S(=O)(=O)Cc1cccc(Cl)c1Cl
Fc1cc2nc([nH]c2cc1N1CCNCC1)S(=O)Cc1cccc(Cl)c1Cl
Cc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCNCC2)cc1
Cc1cccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCNCC2)c1
Fc1cc2nc(SCc3ccccc3)[nH]c2cc1N1CCNCC1
CSc1nc2cc(F)c(cc2[nH]1)N1CCNCC1
Fc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCNCC2)cc1
Fc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCN(CC3CCCCCCC3)CC2)cc1
Fc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCN(Cc3ccccc3)CC2)cc1
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[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
CC1CN(CC(C)N1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(OCCO)c1
CN1CCC[C@@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
CN1CCC[C@H](C1)c1nc2ccccc2n1C1CCN(CC1)C1(C)CCCCCCC1 |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1 |r|
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc2cc[nH]c2c1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cc2ccccc2o1
CC1(CCCCCCC1)N1CCC(CC1)n1cnc2ccccc12
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Cc1ccc(cc1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
CC1(C)CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
OCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
OCC1(CCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CNCC2C1
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1C1CCN(CC1)C1(CCCCCCC1)C(O)=O
CCCC(C)N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1C |r|
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccc(F)cc1 |r|
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1 |r|
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccc(F)cc1C |r|
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1c(C)cccc1C |r|
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)N1CCCCC1
CCOc1ccccc1N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1ccccc1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cnccn1
CC(N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1)c1ccccc1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCCC1
CCC(CC)N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1F
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccc1C(F)(F)F
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccccn1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(CC1)C1CCCCC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCCC(CC1)c1ccccc1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1ccccc1C
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cccc(C)c1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1ccc(C)cc1C
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(Cc2ccccc2)CC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCCCC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCCCCC1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1Cc2ccccc2C1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCc2ccccc2C1
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CC[C@H]2[C@H](CCc3ccccc23)C1 |r|
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1Cc2cccc3cccc(C1)c23
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CC2CCC(C1)C2c1ccccc1 |r|
NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
CC(C)N(C)C(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CC(C)NC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CC(C)NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CC(C)N(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl
N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc21
C(CNC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
O=C(OCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 |r|
C(COC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
C(CC=C[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)NCc1ccccc21 |r|
O=C(NCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)[C@H]1CCCN1Cc1ccccc1 |r|
Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 |r|
CCn1c2ccccc2n(C2CCN(CCCNC(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c1=O |r|
CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)[C@H]1CCCN1Cc1ccccc1 |r|
N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cn1cccn1
O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CC[C@@H]2CCCc3cccc1c23 |r|
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O |r|
CN(C1CC1)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
CN(C1CC1)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
CN(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F |r|
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
CNC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1F
NC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
CNC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cn1cccn1
ClCC(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
Clc1ccccc1CC(CN1CCC2(CC1)OCCc1ccsc21)C#N
COCC(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
FCC(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
COc1ccccc1CC(CN1CCC2(CC1)OCCc1ccsc21)C(=O)N(C)C
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccn1
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1c(F)cccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1F
CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1
CN(C)C(=O)C(CN1CCC2(CC1)OCc1ccc(F)cc21)Cc1cscn1
O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1
CC(N1CCC(CC1)N1C(=O)Cc2ccccc12)c1ccccc1
CC(C)C1CCC(CC1)N1CCC(CC1)N1C(=O)CCc2ccccc12 |(47.58,-45.91,;48.91,-45.15,;50.24,-45.93,;48.93,-43.61,;47.6,-42.83,;47.61,-41.3,;48.95,-40.54,;50.28,-41.31,;50.27,-42.85,;48.95,-39,;47.62,-38.23,;47.63,-36.69,;48.96,-35.93,;50.29,-36.69,;50.29,-38.24,;48.96,-34.39,;50.3,-33.62,;51.64,-34.39,;50.3,-32.07,;48.95,-31.29,;47.62,-32.07,;46.29,-31.31,;44.96,-32.08,;44.96,-33.62,;46.29,-34.39,;47.62,-33.62,)|
CCC[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:6.9,3.2,(42.58,-12.05,;41.54,-13.19,;40.04,-12.86,;39.57,-11.4,;38.06,-11.07,;37.59,-9.61,;38.63,-8.46,;40.14,-8.78,;40.61,-10.25,;38.16,-6.99,;36.65,-6.66,;36.18,-5.21,;37.22,-4.07,;38.72,-4.38,;39.19,-5.85,;36.74,-2.6,;37.65,-1.35,;39.18,-1.35,;36.74,-.1,;35.27,-.57,;33.94,.2,;32.61,-.58,;32.61,-2.12,;33.94,-2.89,;35.27,-2.12,)|
O=C1CCc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
CC1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
CCC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |r,wU:8.11,5.4,(49.69,-11.33,;51.19,-11.65,;52.21,-10.51,;53.69,-10.11,;53.3,-11.59,;51.75,-9.05,;52.79,-7.91,;52.31,-6.43,;50.8,-6.12,;49.77,-7.26,;50.24,-8.72,;50.32,-4.65,;48.82,-4.32,;48.35,-2.87,;49.39,-1.73,;50.89,-2.04,;51.36,-3.51,;48.91,-.26,;49.82,1.01,;51.35,1.01,;48.91,2.25,;47.44,1.77,;46.1,2.54,;44.78,1.78,;44.78,.23,;46.11,-.55,;47.44,.23,)|
CC(C1CCCCC1)N1CCC(CC1)N1C(=O)Cc2ccccc12
CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)C(C)c2ccccc12 |r,wU:6.9,3.2,(5.8,-45.06,;6.83,-43.93,;8.33,-44.25,;6.36,-42.46,;4.85,-42.14,;4.38,-40.67,;5.4,-39.52,;6.92,-39.84,;7.4,-41.32,;4.93,-38.06,;3.43,-37.73,;2.96,-36.27,;3.99,-35.13,;5.49,-35.45,;5.96,-36.92,;3.51,-33.67,;4.42,-32.42,;5.96,-32.41,;3.51,-31.16,;3.99,-29.7,;2.04,-31.64,;.71,-30.88,;-.63,-31.65,;-.62,-33.19,;.71,-33.96,;2.04,-33.19,)|
O=C1Cc2ccccc2N1C1CCN(CC1)C1CC[C@H]2CCCc3cccc1c23 |r|
CC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
CCC1C(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc12
CCC1C(=O)N(C2CCN(CC2)[C@@H]2CC[C@@H](CC2)C(C)C)c2ccccc12 |r,wU:12.12,15.19,(29.25,-31.07,;27.74,-31.39,;27.27,-32.86,;28.18,-34.11,;29.72,-34.11,;27.27,-35.36,;27.75,-36.83,;26.71,-37.98,;27.18,-39.43,;28.69,-39.76,;29.72,-38.62,;29.25,-37.15,;29.16,-41.23,;28.13,-42.38,;28.6,-43.84,;30.11,-44.17,;31.15,-43.02,;30.68,-41.55,;30.58,-45.64,;29.55,-46.78,;32.09,-45.96,;25.79,-34.89,;24.46,-35.65,;23.13,-34.89,;23.13,-33.34,;24.46,-32.57,;25.79,-33.34,)|
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1F
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1F
CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
CN(C)Cc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1ncccc1F
Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1F
Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1C(N)=O
CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
[H][C@]12CCCc3cccc([C@H](CC1)N1CCC(CC1)N1C(=O)Cc4ccccc14)c23 |r|
[H][C@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)Cc4ccccc14)c23 |r|
[H][C@]12CCCc3cccc([C@H](CC1)N1CCC(CC1)N1C(=O)C(CC)c4ccccc14)c23 |r|
[H][C@]12CCCc3cccc([C@@H](CC1)N1CCC(CC1)N1C(=O)C(CC)c4ccccc14)c23 |r|
CCC1C(=O)N(C2CCN(CC2)C2CCCc3ccccc23)c2ccccc12
CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12
CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc12
CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc12
CCC1C(=O)N(C2CCN(CC2)C(C)CC(c2ccccc2)c2ccccc2)c2ccccc12
CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc12
CCC1C(=O)N(C2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12
CCC1C(=O)N(C2CCN(CCCCc3ccc(cc3)-c3ccccc3)CC2)c2ccccc12
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:31.37,7.7,17.41,c:40,THB:10:9:17:4.5.6,(9.2,-13.96,;9.21,-12.24,;7.62,-13.15,;6.17,-12.24,;6.91,-10.92,;6.17,-9.6,;6.91,-8.27,;8.41,-8.27,;9.74,-7.49,;8.45,-6.72,;9.22,-5.36,;10.76,-5.34,;12.1,-6.1,;12.08,-4.57,;7.66,-7.7,;7.66,-9.59,;8.45,-10.92,;9.23,-9.6,;10.76,-9.6,;11.54,-10.93,;12.31,-9.6,;13.08,-10.94,;13.84,-12.27,;14.64,-10.94,;15.43,-12.3,;13.86,-9.6,;15.41,-9.61,;16.19,-8.27,;15.42,-6.92,;13.86,-6.92,;13.09,-8.26,;10.75,-12.26,;11.51,-13.61,;10.73,-14.94,;9.46,-11.46,;10.56,-10.37,;4.62,-9.6,;3.84,-10.92,;4.62,-12.24,;3.82,-13.6,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)C(C)(C)C)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](C)(O)c1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@]([H])([C@@](O)(CC)C(C)(C)C)[C@]2(OC)C=C1)ccc3O |r,wU:16.16,1.0,19.23,21.28,wD:29.34,7.7,17.38,c:37,THB:10:9:17:4.5.6,(9.21,-13.98,;9.22,-12.26,;7.63,-13.17,;6.17,-12.26,;6.92,-10.94,;6.17,-9.62,;6.92,-8.28,;8.42,-8.28,;9.75,-7.5,;8.46,-6.73,;9.24,-5.36,;10.78,-5.35,;12.11,-6.11,;12.1,-4.57,;7.67,-7.71,;7.67,-9.6,;8.46,-10.94,;9.24,-9.62,;10.78,-9.62,;11.56,-10.94,;12.33,-9.61,;13.1,-10.95,;13.87,-12.29,;13.88,-9.61,;13.11,-8.27,;14.67,-10.95,;15.45,-9.59,;15.45,-12.31,;16.24,-10.95,;10.76,-12.28,;11.53,-13.63,;10.74,-14.97,;9.47,-11.48,;10.58,-10.39,;4.63,-9.62,;3.84,-10.94,;4.63,-12.26,;3.83,-13.62,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@](O)(CC)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CCc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 |r|
CCCCN(C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
CCCCN(C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O)Cc1ccccc1 |r|
O[C@@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
O[C@H](CNCc1cccs1)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC |r|
CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O |r|
COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC |r|
CC(C)[C@@H](N)C(=O)N(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccc(C)cc1 |r|
CCCCN(C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O)Cc1ccccc1 |r|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(C)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(Cl)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(F)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccoc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4C)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-.68,-4.89,;-1.78,-4.33,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1C)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(F)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(OC)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(Cl)s1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccs1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19|
CN(C)[C@]1(CC[C@@H](CC1)OCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:3.2,wD:6.9,(31.51,-13.84,;30.17,-13.07,;30.17,-11.53,;28.84,-13.84,;28.07,-15.17,;26.53,-15.18,;25.76,-13.85,;26.53,-12.52,;28.07,-12.51,;24.22,-13.85,;23.42,-15.17,;21.88,-15.14,;21.08,-16.46,;21.68,-17.88,;20.51,-18.89,;19.2,-18.09,;17.73,-18.54,;16.61,-17.49,;16.95,-15.98,;18.43,-15.54,;19.55,-16.59,;29.64,-15.16,;28.89,-16.51,;29.69,-17.83,;31.23,-17.8,;31.97,-16.44,;31.17,-15.12,)|
CN(C)[C@@]1(CC[C@](O)(CC1)c1ccccc1)c1ccccc1 |r,wU:3.2,wD:6.10,(17.61,-7.23,;16.27,-6.46,;16.27,-4.92,;14.94,-7.24,;14.17,-5.91,;12.62,-5.91,;11.86,-7.24,;10.52,-6.48,;12.63,-8.57,;14.17,-8.57,;10.53,-8.02,;9.2,-7.25,;7.87,-8.02,;7.87,-9.56,;9.22,-10.33,;10.54,-9.55,;15.74,-8.56,;14.99,-9.9,;15.79,-11.22,;17.33,-11.19,;18.07,-9.83,;17.27,-8.52,)|
Cl.CN(C)[C@@]1(CC[C@@](O)(Cc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(42.29,-10.61,;38.63,-8.82,;37.29,-8.05,;37.29,-6.5,;35.96,-8.82,;35.18,-7.49,;33.64,-7.5,;32.87,-8.83,;31.53,-8.06,;31.54,-9.61,;31.55,-11.14,;30.23,-11.91,;30.24,-13.45,;31.58,-14.21,;32.91,-13.42,;32.89,-11.89,;33.64,-10.16,;35.19,-10.16,;36.75,-10.15,;36.01,-11.49,;36.81,-12.81,;38.35,-12.78,;39.09,-11.42,;38.29,-10.11,)|
Cl.CN(C)[C@@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccccc1 |r,wU:4.2,wD:7.7,(40.86,-10.61,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;31.48,-8.05,;31.49,-9.59,;31.5,-11.12,;30.17,-11.91,;28.83,-11.15,;27.51,-11.93,;27.52,-13.47,;28.87,-14.23,;30.19,-13.45,;33.59,-10.14,;35.13,-10.14,;36.69,-10.13,;35.95,-11.47,;36.75,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Cl.CN(C)[C@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(41.68,-9.46,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Cl.CN(C)[C@@]1(CC[C@@H](CC1)OCc1ccccc1)c1ccccc1 |r,wU:7.9,4.2,(41.96,-10.01,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.12,-7.48,;33.58,-7.48,;32.82,-8.82,;33.59,-10.14,;35.13,-10.14,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(41.41,-9.74,;32.33,-12.26,;38.57,-8.8,;37.23,-8.03,;37.23,-6.49,;35.9,-8.81,;35.13,-10.14,;33.59,-10.14,;32.82,-8.82,;33.58,-7.48,;35.12,-7.48,;31.27,-8.79,;30.49,-10.11,;28.95,-10.09,;28.2,-8.74,;26.66,-8.72,;25.87,-10.05,;26.63,-11.4,;28.17,-11.41,;36.69,-10.13,;35.95,-11.47,;36.74,-12.79,;38.29,-12.76,;39.03,-11.4,;38.23,-10.09,)|
Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)|
Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.29,-18.75,;12.97,-20.62,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.43,;8.02,-18.44,;7.26,-19.78,;5.72,-19.79,;4.95,-18.45,;3.41,-18.46,;2.64,-19.79,;3.42,-21.13,;4.96,-21.12,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.04,;18.07,-19.68,;17.27,-18.37,)|
Cl.CN(C)C1(CCC(CC1)NC(=O)Cc1ccccc1)c1ccccc1 |(14.24,-12.21,;18.31,-7.93,;16.97,-7.16,;16.97,-5.62,;15.64,-7.94,;14.87,-6.61,;13.32,-6.61,;12.56,-7.94,;13.33,-9.27,;14.87,-9.27,;11.02,-7.95,;10.26,-9.28,;11.04,-10.61,;8.72,-9.29,;7.96,-10.63,;6.42,-10.63,;5.66,-11.97,;6.44,-13.3,;7.98,-13.29,;8.74,-11.95,;16.44,-9.26,;15.69,-10.6,;16.49,-11.92,;18.03,-11.89,;18.77,-10.53,;17.97,-9.22,)|
Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)NCCCc1ccccc1)c1ccccc1 |r,wU:4.2,wD:7.9,(11.38,-21.45,;17.64,-17.11,;16.3,-16.34,;16.3,-14.8,;14.96,-17.12,;14.2,-18.45,;12.65,-18.46,;11.88,-17.13,;12.65,-15.79,;14.19,-15.79,;10.33,-17.13,;9.57,-18.46,;10.36,-19.8,;8.03,-18.48,;7.27,-19.82,;5.73,-19.82,;4.97,-21.15,;3.43,-21.17,;2.65,-19.84,;1.11,-19.85,;.35,-21.19,;1.14,-22.52,;2.67,-22.5,;15.76,-18.44,;15.02,-19.79,;15.81,-21.11,;17.36,-21.08,;18.1,-19.72,;17.3,-18.4,)|
CN(C)[C@]1(CC[C@H](N)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(17.62,-17.1,;16.29,-16.33,;16.28,-14.79,;14.95,-17.11,;14.18,-18.44,;12.64,-18.44,;11.87,-17.11,;10.33,-17.11,;12.63,-15.78,;14.18,-15.78,;15.75,-18.43,;15,-19.77,;15.8,-21.09,;17.34,-21.06,;18.09,-19.7,;17.29,-18.39,)|
Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1 |r,wU:7.9,4.2,(16.33,-31.4,;12.7,-28.27,;11.36,-27.51,;11.36,-25.97,;10.03,-28.28,;9.26,-26.95,;7.72,-26.95,;6.95,-28.29,;7.72,-29.61,;9.26,-29.61,;5.41,-28.29,;4.64,-26.96,;3.1,-26.95,;2.32,-28.29,;3.09,-29.63,;4.64,-29.63,;10.83,-29.6,;10.08,-30.94,;10.88,-32.26,;12.42,-32.23,;13.16,-30.87,;12.36,-29.56,)|
Cl.CN(C)[C@@]1(CC[C@@H](CC1)N1CCOCC1)c1ccccc1 |r,wU:7.9,4.2,(16.38,-30.86,;12.7,-28.29,;11.37,-27.52,;11.36,-25.98,;10.03,-28.29,;9.26,-26.96,;7.72,-26.97,;6.96,-28.3,;7.73,-29.63,;9.27,-29.63,;5.41,-28.3,;4.64,-26.97,;3.1,-26.97,;2.32,-28.3,;3.09,-29.64,;4.64,-29.65,;10.83,-29.61,;10.09,-30.96,;10.88,-32.28,;12.43,-32.25,;13.17,-30.89,;12.37,-29.57,)|
Cl.CN(C)[C@]1(CC[C@@H](CC1)NC(=O)CCC1CCCC1)c1ccccc1 |r,wU:4.2,wD:7.9,(15.72,-29.86,;12.69,-28.26,;11.36,-27.5,;11.36,-25.96,;10.03,-28.27,;9.26,-29.6,;7.72,-29.6,;6.95,-28.28,;7.71,-26.95,;9.25,-26.94,;5.41,-28.28,;4.63,-26.95,;5.4,-25.61,;3.1,-26.95,;2.33,-25.61,;.79,-25.61,;-.11,-24.36,;-1.58,-24.83,;-1.58,-26.37,;-.12,-26.85,;10.82,-29.59,;10.08,-30.93,;10.87,-32.25,;12.41,-32.22,;13.16,-30.86,;12.36,-29.55,)|
CN(C)C1(CCC(CC1)NCc1c[nH]c2ccccc12)c1ccccc1
Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccccc12)c1ccccc1 |r,wU:5.2,wD:8.9,(49.66,-24.64,;42.84,-26.18,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1c[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:5.2,wD:8.9,(50.15,-23.7,;44.1,-26.45,;47.35,-21.61,;46.01,-20.85,;46.01,-19.3,;44.68,-21.62,;43.91,-22.95,;42.37,-22.95,;41.6,-21.63,;42.36,-20.29,;43.9,-20.29,;40.06,-21.63,;39.26,-22.95,;37.72,-22.91,;36.92,-24.23,;37.52,-25.66,;36.35,-26.66,;35.03,-25.86,;33.57,-26.31,;32.44,-25.27,;32.79,-23.76,;31.66,-22.71,;34.26,-23.31,;35.38,-24.36,;45.47,-22.94,;44.73,-24.28,;45.53,-25.6,;47.07,-25.57,;47.81,-24.21,;47.01,-22.9,)|
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:16.14,wD:19.21,(27.27,-8.82,;25.95,-8.06,;24.63,-8.83,;25.94,-6.53,;24.62,-5.77,;23.09,-5.77,;24.62,-7.3,;23.29,-8.06,;21.98,-7.3,;23.29,-9.59,;25.38,-4.45,;26.91,-4.45,;24.61,-3.13,;18.32,-7.93,;16.98,-7.17,;16.98,-5.62,;15.65,-7.94,;14.88,-9.27,;13.34,-9.28,;12.57,-7.95,;13.33,-6.61,;14.87,-6.61,;11.8,-9.28,;10.26,-9.28,;9.48,-7.95,;10.26,-6.61,;11.8,-6.61,;12.28,-5.15,;11.04,-4.24,;10.89,-2.71,;9.48,-2.07,;8.22,-2.98,;8.38,-4.52,;9.78,-5.15,;16.44,-9.26,;15.7,-10.61,;16.49,-11.93,;18.04,-11.89,;18.78,-10.53,;17.98,-9.22,)|
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1
CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
CN(C)[C@]1(CC[C@@]2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1
COc1ccc2[nH]c3c(CCO[C@]33CC[C@@](CC3)(N(C)C)c3ccccc3)c2c1
CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1
CN(C)[C@@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1
CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)|
CN(C)[C@]1(CC[C@@]2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1
CN(C)[C@]1(CC[C@@]2(CC1)N(C)CCc1c2[nH]c2ccccc12)c1ccccc1
[3H]C(C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(N)=O)C([3H])(C)C |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CC)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1
Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1
O=C(C1Cc2ccccc2CN1)N1CCC2(CCc3ccccc23)CC1
C(C1Cc2ccccc2CN1)N1CCC2(CCc3ccccc23)CC1
CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
CN1C(CN2CCC3(CCc4ccccc34)CC2)Cc2ccccc2C1=O
CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
Oc1ccc2CNC(CN3CCC4(CCc5ccccc45)CC3)Cc2c1
Oc1cccc2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Oc1ccc(Br)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
Oc1ccc(Cl)c2CC(CN3CCC4(CCc5ccccc45)CC3)NCc12
C(C1COc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc23)CC1
C(C1CCc2ccccc2C1)N1CCC2(CCc3ccccc23)CC1
[H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)C1Cc2cccc3cccc1c23