1875 SMILES Strings for Protein-arginine deiminase type-4

Compound Name
SMILES String
Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Brc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1
Brc1cncc(c1)-c1[nH]nnc1C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
C=CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
CC(=O)c1cc(c(Sc2ccc(Cl)cc2)s1)[N+]([O-])=O
CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C(=O)c1ccn2c(c(nc2c1)-c1cc2ccccc2n1CC1CC1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCc1ccccc1 |r|
CC(C)(C)n1nnc(n1)[C@H](CCCNC(=N)CCl)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
CC(C)(O)Cn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
CC(C)Cn1c(cc2cc(F)ccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)Cn1c(cc2ccc(F)cc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)Cn1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1 |r|
CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1 |r|
CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1 |r|
CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r|
CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1 |r|
CC(C)NC(=O)[C@H](Cn1ccnc1)NC(=O)N1CCOCC1 |r|
CC(C)c1cc(-c2nc3cc(ccc3n2C)C(=O)N2CCC[C@@H](N)C2)n(CC2CC2)n1 |r|
CC(O)c1ccc2cc(-c3nc4cc(cc(F)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:29:28:22.23:25.26|
CC(c1ccc(F)cc1)n1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CC1(C)NC(=O)N(CCN2CCCC2)C1=O
CC1(C)NC(=O)N(CCN2CCOCC2)C1=O
CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O
CC1(C)NC(=O)N(CCn2ccnc2)C1=O
CC1(C)NC(=O)N(CN2CCNCC2)C1=O
CCC(C)(O)c1ccc2cc(-c3nc4cc(cc(F)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:31:30:24.25:27.28|
CCC(C)(O)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCCCS(=O)(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCCN=C(N)CF |w:3.2|
CCCS(=O)(=O)N[C@H](C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1 |r,THB:27:29:34.36:32.31|
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@@]1(C)O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O |r|
CCCc1c(cnn1-c1ccccc1)-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCN(C(=O)OC)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCN(C(=O)OC)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCN(C(C)=O)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC(N)CCC3C)n(CC3CC3)c2n1)S(C)(=O)=O
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1)S(=O)(=O)C1CC1 |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)[C@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)CC[C@@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3C3CC3)C(=O)N3CCC[C@@H](N)[C@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3CC3(C)CC3)C(=O)N3CCC[C@@H](N)[C@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3CC3COC3)C(=O)N3CCC[C@@H](N)[C@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCN(c1ccc2cc(-c3nc4cc(cc(OC)c4n3CCOC)C(=O)N3CCC[C@@H](N)[C@H]3C)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CCOC(=O)COc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCOC(=O)Cc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCOC(=O)Cn1cc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
CCOC(=O)N[C@@H]1C[C@@H]2CC[C@H]1N2C(=O)c1cc(OC)c2n(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r,TLB:13:12:6.7:10.9|
CCOC(=O)c1c(c(C)nn1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
CCOC(=O)c1c(c(C)nn1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCOC(=O)c1cc(O)c2ccc(nc2c1)-c1ccc2cc(-c3nc4cc(cc(F)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:42:41:35.36:38.39|
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:41:40:38.37:35.34|
CCOC(=O)c1cnc2ccc(cc2c1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:43:42:36.37:39.40|
CCOC(=O)c1nc2cc(ccc2[nH]1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:41:40:38.37:35.34|
CCOC(=O)c1nc2cc(ccc2[nH]1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:41:40:38.37:35.34|
CCOC(=O)c1nn(C)c(C)c1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
CCOC(=O)c1nn(C)c(C)c1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCO\C=C\C(=O)Nc1ccc(c(C)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:42:41:35.36:38.39|
CCOc1cc(ccc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
CCOc1ncc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:36:35:33.32:30.29|
CCS(=O)(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCS(=O)(=O)c1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CCc1c(cc(C)n1-c1ccccc1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:26:28:31.32:34|
CCc1c(ccn1Cc1ccccc1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,THB:26:28:34:31.32|
CCc1c(ccn1Cc1ccccc1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2NCc1ccccc1 |r,THB:26:28:34:31.32|
CCc1c(ccn1S(=O)(=O)c1ccc(C)cc1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:29:31:34.35:37|
CCc1c(cnn1-c1ccccn1)-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1c(cnn1-c1ccccn1)-c1nc2cc(ccc2n1CC)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1c(sc2ccccc12)-c1nc2cc(cc3OCCn1c23)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1c(sc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1cc(NC(C)=O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
CCc1cc(NC(C)=O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCc1cc(NC(C)=O)ncc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
CCc1cc(NC(C)=O)ncc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CCc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1)C(N)=O |TLB:35:34:28.29:31.32|
CCc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1)C(N)=O
CCc1cc(ccc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:29.30:32.33|
CCc1ccc2cc(-c3nc4cc(cc(OC)c4n3Cc3cnn(C)c3)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:35:34:28.29:31.32|
CCc1ccccc1-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1cnccc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:20:22:25.26:28|
CCc1nc(C)c(s1)-c1ncccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CCc1nc(C)sc1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1nc(O)ncc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:21:23:26.27:29|
CCc1nc(OC)ccc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30|
CCc1ncc(F)cc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:21:23:26.27:29|
CCc1ncc(OC)cc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30|
CCc1ncccc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCc1ncccc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:20:22:25.26:28|
CCn1c(-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)c(-c2ccccc2)c2ccccc12 |r,wU:20.22,(5.03,4.77,;3.94,3.68,;4.34,2.19,;3.44,.94,;1.9,.94,;.99,-.3,;-.47,.17,;-1.81,-.6,;-3.14,.17,;-3.14,1.71,;-1.81,2.48,;-.47,1.71,;.99,2.19,;1.76,3.52,;-4.47,-.6,;-4.47,-2.14,;-5.81,.17,;-7.14,-.6,;-8.47,.17,;-8.47,1.71,;-7.14,2.48,;-7.14,4.02,;-5.81,1.71,;4.34,-.3,;3.94,-1.79,;2.46,-2.19,;2.06,-3.68,;3.15,-4.77,;4.63,-4.37,;5.03,-2.88,;5.81,.17,;7.14,-.6,;8.47,.17,;8.47,1.71,;7.14,2.48,;5.81,1.71,)|
CCn1c(-c2nc3cc(ccn3c2C)C(=O)N2CC[C@@H](N)C2)c(-c2ccccc2)c2ccccc12 |r,wU:19.21,(4.78,4.75,;3.75,3.6,;4.23,2.14,;3.32,.89,;1.78,.89,;.88,-.35,;-.59,.12,;-1.92,-.65,;-3.25,.12,;-3.25,1.66,;-1.92,2.43,;-.59,1.66,;.88,2.14,;1.35,3.6,;-4.59,-.65,;-4.59,-2.19,;-5.92,.12,;-7.33,-.5,;-8.36,.64,;-7.59,1.97,;-8.22,3.38,;-6.08,1.65,;4.23,-.35,;3.75,-1.82,;2.25,-2.14,;1.77,-3.6,;2.8,-4.75,;4.31,-4.43,;4.78,-2.96,;5.69,.12,;7.03,-.65,;8.36,.12,;8.36,1.66,;7.03,2.43,;5.69,1.66,)|
CCn1c(cc2cc(F)ccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccc(F)cc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccc(OC)cc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccccc12)-c1nc2cc(cc(OC)c2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccccc12)-c1nc2cc(cc3OCCn1c23)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CC[C@@H](N)C1 |r|
CCn1c(cc2cccnc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(ccc1-c1ccccc1)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
CCn1c(cnc1C1CCC1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
CCn1c(nc2cc(cc(OC)c12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(C#N)n1CC1CC1 |r|
CCn1c(nc2cc(cc(OC)c12)C(=O)N1CCC[C@@H](N)C1)-c1cn(CC2CC2)c(n1)-c1ccccc1 |r|
CCn1c(nc2cc(cc(OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1ccc(C#N)n1CC(F)(F)F |r,TLB:13:15:18.19:21|
CCn1c(nc2cc(cc(OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cn(CC2CC2)c(n1)-c1ccccc1 |r,TLB:13:15:18.19:21|
CCn1c(nc2cc(cc(OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cnc(-c2ccccc2)n1CC1CC1 |r,TLB:13:15:18.19:21|
CCn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccccc2)n1CC1CC1 |r|
CCn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnn(c1C1CC1)-c1ccccc1 |r|
CCn1c(ncc1-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)C1CCOCC1 |r,TLB:19:21:24.25:27|
CCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
CCn1cc(CCCNC(=N)CCl)c2ccccc12
CCn1nc(cc1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1)-c1ccccc1 |r|
CCn1nccc1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r|
CN(C)CCOc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
CN(C)CCn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
CN(C)C\C=C\C(=O)NCCN(CCc1cnc[nH]1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@@H]1CCCN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@@H]1CCCN(C1)C(=O)c1ccn2c(C)c(nc2c1)-c1cc2ccccc2n1Cc1ccc(F)cc1 |r|
CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@@H](C1)NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1N(C)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@@H]1C[C@H](N)CN(C1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@H]1CCN(C[C@H]1N)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)C\C=C\C(=O)N[C@H]1CNC[C@@H]1NC(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r|
CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O |r|
CN(C)\C=C\C(=O)NCCN(CCC1C=NC=N1)C(=O)c1ccc2n(C)c(nc2c1)-c1cc2cccnc2n1CC1CC1 |c:14,16|
CN(C)c1ccc2cc(ccc2c1)C(=O)N[C@@H](CCCNC(=N)CCl)C(=O)NCc1ccccc1 |r|
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
CN(c1ccc2cc(-c3nc4cc(cc5OCCn3c45)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1)S(C)(=O)=O |r|
CN(c1ccc2cc(-c3nc4cc(cc5OCCn3c45)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1)S(C)(=O)=O |r,THB:20:22:27.29:25.24|
CN1CCn2c(nc3cc(cc1c23)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
CNC(=O)Cc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
CNC(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CNC(=O)c1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2c1
CNC(=O)c1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CNC(=O)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)CC[C@@H]3C)n(CC3CC3)c2n1 |r|
CNC(=O)c1cccc(c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:37:36:34.33:31.30|
CNS(=O)(=O)c1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:31.32|
CNS(=O)(=O)c1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CNc1ncc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COC(=O)C1CC(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,wU:34.39,THB:35:34:32.31:29.28,(12.1,-2.8,;10.76,-2.03,;10.76,-.49,;12.01,.42,;9.3,-.02,;7.93,-.72,;7.22,.65,;8.59,1.35,;5.76,1.12,;5.43,2.62,;3.96,3.09,;2.82,2.06,;1.29,2.21,;.67,.8,;-.87,.8,;-1.75,2.02,;-3.29,2.02,;-4.63,2.79,;-5.96,2.02,;-5.96,.48,;-4.63,-.29,;-4.63,-1.83,;-5.96,-2.6,;-3.29,.48,;-1.96,-.29,;-1.96,-1.83,;-7.29,2.79,;-7.29,4.33,;-8.63,2.02,;-8.63,.48,;-9.96,-.29,;-11.29,.48,;-11.29,2.02,;-9.96,2.79,;-10.56,1.31,;-12.1,1.31,;1.82,-.22,;1.67,-1.76,;2.75,-2.85,;3.15,-4.33,;4.24,-3.24,;3.15,.55,;4.62,.08,)|
COC(=O)CC1CCN(CC1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)CNC(=O)COc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:43:42:36.37:39.40|
COC(=O)COc1cc(F)c(cc1OC)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
COC(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
COC(=O)N(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2c1 |r,THB:24:26:31.33:29.28|
COC(=O)N(C1CCC1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
COC(=O)N1CC(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)Nc1cc(ccn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1cc(ccn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1ccc(c(C)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:39:38:36.35:33.32|
COC(=O)Nc1ccc(c(F)c1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |THB:31:33:39:36.37|
COC(=O)Nc1ccc(c(F)c1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |THB:31:33:39:36.37|
COC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1 |r|
COC(=O)Nc1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:39:38:36.35:33.32|
COC(=O)Nc1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |THB:30:32:38:35.36|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)CC[C@@H]3C)n(CC3CC3)c2n1 |r|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1 |r|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(ccc4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:36:35:33.32:30.29|
COC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(ccc4n3C)C(=O)N3C[C@H](C)C[C@@H](N)C3)n(CC3CC3)c2n1 |r|
COC(=O)Nc1ccc(nc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)Nc1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
COC(=O)Nc1cccc(-c2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)c1OC |TLB:37:36:30.31:33.34|
COC(=O)Nc1cccc(-c2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4C[C@H](N)C[C@@H](F)C4)n(CC4CC4)c3n2)c1OC
COC(=O)Nc1cccc(c1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COC(=O)Nc1cccc(c1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)Nc1cccc(c1Cl)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COC(=O)Nc1cccc(c1Cl)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r|
COC(=O)\C=C\c1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1[nH]c(=O)c2ccccc2c1O
COC(=O)c1c(F)cc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:39:38:32.33:35.36|
COC(=O)c1c(F)cc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COC(=O)c1c(cnn1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1c[nH]c2ccc(cc12)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:40:39:33.34:36.37|
COC(=O)c1cc(-c2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)n(C)n1 |TLB:34:33:27.28:30.31|
COC(=O)c1cc(-c2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4C[C@H](N)C[C@@H](F)C4)n(CC4CC4)c3n2)n(C)n1
COC(=O)c1cc(=O)[nH]c2ccc(cc12)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:42:41:39.38:36.35|
COC(=O)c1cc(=O)[nH]c2ccc(cc12)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:42:41:39.38:36.35|
COC(=O)c1cc(NC(=O)C2CC2)ncc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:43:42:36.37:39.40|
COC(=O)c1cc(NC(=O)C2CC2)ncc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1cc(O)c2cc(ccc2c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:42:41:39.38:36.35|
COC(=O)c1cc(O)c2cc(ccc2n1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:42:41:39.38:36.35|
COC(=O)c1cc(ccc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1cc2N(CCn3c(nc(c1)c23)-c1cc2ccccc2n1CC1CC1)S(C)(=O)=O
COC(=O)c1cc2NCCn3c(nc(c1)c23)-c1cc2ccc(F)cc2n1CC1CC1
COC(=O)c1cc2cc(ccc2[nH]1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:40:39:37.36:34.33|
COC(=O)c1cc2cc(ccc2s1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:40:39:37.36:34.33|
COC(=O)c1ccc(Nc2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)cn1 |r,THB:36:35:33.32:30.29|
COC(=O)c1ccc([nH]1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:29.30:32.33|
COC(=O)c1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:38:37:31.32:34.35|
COC(=O)c1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)c1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1ccc(cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COC(=O)c1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:37:36:34.33:31.30|
COC(=O)c1ccc2c(nn(C)c2c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:41:40:34.35:37.38|
COC(=O)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1ccc2cc(ccc2n1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:41:40:38.37:35.34|
COC(=O)c1ccc2cc(ccc2n1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:41:40:38.37:35.34|
COC(=O)c1cnccc1Nc1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:38:37:35.34:32.31|
COC(=O)c1n[nH]c(C)c1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:37:36:30.31:33.34|
COC(=O)c1n[nH]c(C)c1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COC(=O)c1ncc(Nc2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)cn1 |r,THB:36:35:33.32:30.29|
COC(C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3Cc3cnn(C)c3)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:37:36:34.33:30.31|
COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|
COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(25.46,-.06,;26.8,-.83,;28.13,-.06,;28.13,1.48,;26.79,2.25,;29.46,2.25,;29.46,3.79,;30.79,1.49,;32.13,2.25,;33.46,1.48,;33.46,-.05,;32.14,-.83,;30.79,-.06,;29.47,-.83,;29.47,-2.37,;34.79,2.25,;36.13,1.48,;37.47,2.26,;38.8,1.49,;40.13,2.26,;38.81,-.05,;37.46,3.79,;38.79,4.57,;36.13,4.55,;34.79,3.79,;33.46,4.56,;36.13,6.09,;37.46,6.86,;37.46,8.42,;36.12,9.19,;36.12,10.73,;37.45,11.5,;34.8,8.42,;33.46,9.18,;33.46,10.72,;34.79,6.86,;33.46,6.09,)|
COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(3.91,5.12,;3.91,3.58,;5.24,2.81,;5.24,1.27,;3.91,.5,;6.57,.5,;6.57,-1.04,;7.91,1.27,;9.28,.44,;10.68,1.23,;10.68,2.84,;9.28,3.63,;7.91,2.81,;6.57,3.58,;6.57,5.12,;12.01,.46,;12,-1.08,;13.34,-1.86,;13.33,-3.4,;11.99,-4.16,;14.66,-4.17,;14.67,-1.09,;16,-1.87,;14.68,.45,;13.35,1.22,;13.35,2.76,;16.01,1.21,;16.02,2.75,;17.36,3.52,;18.69,2.74,;20.02,3.51,;20.03,5.05,;18.68,1.2,;20.01,.43,;21.35,1.19,;17.35,.44,;17.34,-1.1,)|
COC1CCN(CC1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:35:34:32.31:28.29|
COC1CN(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:33:32:30.29:26.27|
COC1CN(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:33:32:30.29:26.27|
COCC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COCC(=O)Nc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COCC(C)(O)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COCC1CN(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:34:33:31.30:27.28|
COCC1CN(C1)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:34:33:31.30:27.28|
COCCOC(=O)Nc1cc2n(CC3CC3)c(cc2cn1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COCCOC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:41:40:38.37:35.34|
COCCOC(=O)Nc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COCCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
COCCn1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@@H](N)C1 |r|
COCCn1c(cc2ccccc12)-c1nc2cc(ccn2c1C)C(=O)N1CCC[C@H](C1)NC(=O)OC(C)(C)C |r|
COCCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
COC[C@H]1CCN1c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:34:33:31.30:27.28|
COC[C@H]1CCN1c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COCc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
CO[C@]1(C)C[C@H](Cn2c(nc3cc(cc(F)c23)C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)-c2ccc(C#N)n2CC2CC2)C1 |r,wU:21.22,24.26,25.29,2.2,wD:5.5,2.1,TLB:17:19:22.23:25,(.17,-5.53,;-.92,-4.44,;-.52,-2.95,;-2.01,-3.35,;-.52,-1.41,;1.02,-1.41,;2.05,-.26,;1.57,1.2,;2.48,2.45,;1.57,3.69,;.11,3.22,;-1.23,3.99,;-2.56,3.22,;-2.56,1.68,;-1.23,.91,;-1.23,-.63,;.11,1.68,;-3.89,3.99,;-3.89,5.53,;-5.23,3.22,;-5.23,1.68,;-6.56,.91,;-7.89,1.68,;-7.89,3.22,;-6.56,3.99,;-6.96,2.5,;-8.87,2.5,;4.02,2.45,;4.92,3.69,;6.39,3.22,;6.39,1.68,;7.63,.77,;8.87,-.13,;4.92,1.2,;4.45,-.26,;5.48,-1.41,;5.8,-2.92,;6.94,-1.89,;1.02,-2.95,)|
COc1[nH]ncc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:34:33:31.30:27.28|
COc1c2CC3C4CCC([C@@H]4N)N3C(=O)c2cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C3NC(=O)NC3=O)n(C)c12 |r,TLB:11:10:8.7:5.12|
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
COc1cc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)ccc1F |r|
COc1cc(NS(C)(=O)=O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:40:39:33.34:36.37|
COc1cc(NS(C)(=O)=O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(Nc2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)ccc1O |TLB:33:32:26.27:29.30|
COc1cc(O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:29.30:32.33|
COc1cc(O)ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(c(F)cc1C(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COc1cc(c(F)cc1C(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(c(F)cc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COc1cc(c(F)cc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(c(F)cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:37:36:30.31:33.34|
COc1cc(c(F)cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:37:36:30.31:33.34|
COc1cc(c(F)cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(cc(C)c1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:37:36:30.31:33.34|
COc1cc(cc(Cl)c1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:37:36:34.33:30.31|
COc1cc(cc(F)c1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:37:36:30.31:33.34|
COc1cc(cc2nc(-c3cc4cc(F)c(cc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:39:41:46.48:44.43|
COc1cc(cc2nc(-c3cc4cc(F)c(cc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(C)c3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4cc(F)c(cc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4cc(F)c(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(CC(C)(C)O)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(CC5CCCCO5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(CC5CCCCO5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(CC5CCNCC5)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(CC5CCOC5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(CCC5CCNCC5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(CCN5CCOC5=O)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(CCN5CCOC5=O)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(N=S(C)(C)=O)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(NC(C)(C)C)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(NC5CCNC(=O)C5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(NCc5cccc(NC(C)=O)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(NCc5ccncc5)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(NCc5ccncc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(NS(C)(=O)=O)cc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(Nc5c(C)cncc5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cc(C)nc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cc(C)ncc5C)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cc(C)ncc5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cc(N)ncn5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5cc(O)ncn5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(C)nc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(CN)cc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(N)cc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(N)nc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(NC(C)=O)nc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(O)cc5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:33:35:41:38.39|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(cc5)C#N)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(cc5)C(N)=O)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc(nc5)C#N)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6C(=O)NCc6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6CCN(C(C)=O)c6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6CN(C)C(=O)c6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6CNC(=O)c6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6NC(=O)CCc6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6[nH]c(=O)oc6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccc6n(C)c(CO)nc6c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(Nc5cccc(CN)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cccc(N)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5cccc(O)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5cccc(c5)C(N)=O)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(Nc5cccnc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccn(CCO)n5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)c5Cl)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(C)n5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(CO)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(O)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(c5)C#N)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccnc(n5)C(C)C)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5C)nc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5CO)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5Cl)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5ccncc5F)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(Nc5cnc(nc5)C#N)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Nc5cnc(nc5)C(N)=O)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(Nc5cncnc5)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Oc5cc(C)nc(C)c5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(Oc5ccc(F)nc5)cc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:33:35:41:38.39|
COc1cc(cc2nc(-c3cc4ccc(Oc5cccnc5)cc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Oc5ccncc5)nc4n3CC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(Sc5ccncc5)nc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:32:34:40:37.38|
COc1cc(cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C56CC(F)(C5)C6)c(F)c4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C56CC(F)(C5)C6)c(F)c4n3CC3CC3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c(C)ccc(O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c(C)n[nH]c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c(C)noc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c(F)cc(O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c(F)ccc(O)c3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3c[nH]nc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(CO)ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(CO)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(F)c(Cl)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(F)c(F)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(O)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c(OC)c(F)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c4NC(=O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(F)c4ncc(C(O)=O)c(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(O)cc(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(O)ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(c(F)cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc(c(F)cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc4CC(=O)Nc4c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc4CC(=O)Nc4cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc4CCC(=O)Nc4cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc4CNC(=O)c4c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cc[nH]n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(=O)[nH]c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(=O)[nH]c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(C(N)=O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(C(N)=O)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(C(N)=O)c(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(Cl)c(F)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(Cl)c(c3)C(O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:35:37:43:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)c(C(O)=O)c3F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)c(Cl)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)c(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)c(c3)C(O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:35:37:43:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)cc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:41:40:38.37:34.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(F)cc3C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(N)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(=O)C#CC)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(=O)C=C)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(C)=O)c(c3)C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(C)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(C)=O)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NC(C)=O)nc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NS(C)(=O)=O)c(Cl)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:37:39:45:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NS(C)(=O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(NS(C)(=O)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(O)cc3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(O)cc3O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(SC)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)C(=O)NCC(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)C(=O)NCCC(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:42.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)C(=O)NCCO)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)C(=O)Nc3ccncc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:49:48:46.45:43.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3C(N)=O)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(nc3)C(=O)N(C)C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(nc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc(nc3)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4C(=O)OCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4CC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4CCC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4CCNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4N(C)C(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4N(C)S(=O)(=O)CC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)C(F)(F)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)CC(C)(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)COc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:35:37:43:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)N(C)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4NC(=O)OCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[n+]([O-])cccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[n+]([O-])cccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)c(C)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(CO)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4[nH]c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4c(c3)C(=O)NS4(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4c(c3)[nH]c(=O)[nH]c4=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4c(cc[nH]c4=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4cc[n+]([O-])cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4cc[n+]([O-])cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ccc(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4n(CC(C)(C)O)c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:50:49:43.44:46.47|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nc(O)ccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nc(O)cnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nc(cc(O)c4c3)C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nc(ccc4c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ncc(C#N)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ncc(C(O)=O)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ncc(C(O)=O)c(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nccc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ncccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4ncnc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nncc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nncc(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4nnn(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4oc(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccc4scnc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(CNC(C)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(CNS(C)(=O)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(CO)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:33:35:41:38.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(CO)c3F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:34:36:42:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(F)c3O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(NC(=O)C=C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(NC(C)=O)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:35:37:43:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(O)c3OC)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(c3)C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(c3)N(C)C(=O)C=C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc(c3)N3CCC(=C)C3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4C(=O)NCc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4CC(=O)Nc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4NC(=O)CCc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4[nH]c(=O)[nH]c(=O)c34)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:37:39:45:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4c(O)nccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4nc(C)ccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccc4ncccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccccc3C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cccnc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccn(C)c(=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccn(C)c(=O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3ccnn3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cn[nH]c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc(nc3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc(nc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4C(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4NC(=O)CCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4NC(=O)COc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4NCCOc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4c(O)ccnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnc4nc(O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cncs3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:39:38:36.35:32.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnn(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)-c3cnn(CCC(N)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(=O)NCC3CCOC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(=O)NCC3CCS(=O)(=O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(=O)Nc3ccncc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:34:36:42:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(C)(C)O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:38:37:31.32:34.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(C)(O)C(F)(F)F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(C)(O)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(C)O)n(Cc3cnn(C)c3)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(O)(CF)CF)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:40:39:33.34:36.37|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C(O)C(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CC(O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,wU:38.46,THB:39:38:36.35:33.32,(-5.29,-2.6,;-3.96,-1.83,;-3.96,-.29,;-5.29,.48,;-5.29,2.02,;-3.96,2.79,;-2.62,2.02,;-1.08,2.02,;-.2,.8,;1.34,.8,;1.96,2.21,;3.49,2.06,;4.63,3.09,;6.1,2.62,;6.42,1.12,;5.28,.08,;3.82,.55,;2.49,-.22,;2.33,-1.76,;3.42,-2.85,;3.82,-4.33,;4.91,-3.24,;7.89,.65,;8.6,-.72,;9.96,-.02,;11.43,-.49,;9.26,1.35,;-1.29,-.29,;-1.29,-1.83,;-2.62,.48,;-6.63,2.79,;-6.63,4.33,;-7.96,2.02,;-7.96,.48,;-9.29,-.29,;-10.63,.48,;-10.63,2.02,;-9.29,2.79,;-9.89,1.31,;-11.43,1.31,)|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CCC(O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,wU:40.48,THB:41:40:38.37:35.34,(-5.72,-2.6,;-4.39,-1.83,;-4.39,-.29,;-5.72,.48,;-5.72,2.02,;-4.39,2.79,;-3.05,2.02,;-1.51,2.02,;-.63,.8,;.91,.8,;1.53,2.21,;3.06,2.06,;4.2,3.09,;5.67,2.62,;5.99,1.12,;4.85,.08,;3.39,.55,;2.06,-.22,;1.9,-1.76,;2.99,-2.85,;3.39,-4.33,;4.48,-3.24,;7.46,.65,;7.79,-.86,;9.25,-1.33,;10.39,-.29,;11.86,-.76,;10.07,1.21,;8.6,1.68,;-1.72,-.29,;-1.72,-1.83,;-3.05,.48,;-7.06,2.79,;-7.06,4.33,;-8.39,2.02,;-8.39,.48,;-9.72,-.29,;-11.06,.48,;-11.06,2.02,;-9.72,2.79,;-10.32,1.31,;-11.86,1.31,)|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CCN(C3)C(=O)OCc3ccccc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:49:48:46.45:43.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CCN(C3)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CCN(CC3)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CCNCC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CN(C3)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3CNC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:38:37:35.34:32.31|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)C3COC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:38:37:35.34:32.31|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N(C)C)n(C)c12)C(=O)N1CC2CCC1C2
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N(C)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC(C3)C(C)(C)O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC(C3)N3CCS(=O)(=O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC(C3)c3cccnc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC4(CC(O)C4)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC4(CCS4(=O)=O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CC4(COC4)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:38.37:34.35|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC(CC3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC(CC3)C(C)(C)O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC(CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CCNC4=O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CN(C)C(=O)O4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CN(C)C(=O)O4)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CNC(=O)C4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CNC(=O)O4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CNC(=O)O4)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CNC4=O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCC4(CNC4=O)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3CCNCC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)N3[C@@H](C)CCCS3(=O)=O)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)S(=O)(=O)c3ccncc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)S(=O)(=O)c3ccncc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:34:36:42:39.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)OC)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)OC)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)OC)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C3(CCC3)OC)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C3CC3(F)F)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)C3CC3(F)F)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)c3c(F)cccc3F)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:40:42:47.49:45.44|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)c3cnc(C)o3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(cc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3C3CC3)N(C)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3C3CC3)N(C)S(C)(=O)=O)n(CC3CC3)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC(C)(C)O)[C@@H](C)NC(=O)C(C)(C)C)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3(F)CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)cc(O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccc(O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccc(O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccc4[nH]ncc34)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccnc3-c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccnc3-c3cnc(C)s3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)ccnc3-c3sc(C)nc3C)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)n[nH]c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)nn(C)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)noc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(C)noc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)cc(CO)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)cc(CO)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)cc(O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)cc(O)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)ccc(O)c3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)ccc(O)c3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)ccc(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(F)ccc(O)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c(OC)nccc3-c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c4NC(=O)Cc4ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c4NC(=O)Cc4ccc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c[nH]c(=O)[nH]c3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c[nH]c(=O)c(OC)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c[nH]c(=O)c(c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c[nH]nc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3c[nH]nc3C3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c(O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c(O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c(O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c(cc3F)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(C)c4[nH]c(=O)c(F)cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(CO)cc(c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(CO)cc(c3)C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(CO)ccc3F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:34:36:42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(CO)ccn3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(CO)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(O)c(Cl)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(O)c(Cl)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(cc3F)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)c(cn3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)cc(O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(Cl)cc(O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(CC(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(CO)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(CS(C)(=O)=O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:44.43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(CS(C)(=O)=O)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(F)c(F)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(O)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(cc3C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(cc3C)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c(cc3F)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4CN(CCc4c3)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4NC(=O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4NC(=O)CCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4[nH]c(=O)ccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)c4ncc(C(O)=O)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:49:48:42.43:45.46|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)cc(CO)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(F)cc4nc(C)c(=O)[nH]c34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)c(Cl)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)c(Cl)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)c(F)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)c(F)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)cc(Cl)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)cc(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)cc(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccn3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)ccn3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)cnc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(O)cnc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(c(F)cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(c(F)cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(cc4[nH]c(=O)[nH]c34)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(ccc3C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(ccc3C)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(ccc3F)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(ccc3O)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc(ccc3O)C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CC(=O)Nc4c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CC(=O)Nc4c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CC(=O)Nc4cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CC(=O)Nc4cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CCC(=O)Nc4cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CCC(=O)Nc4cc3O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CCC(=O)Nc4cc3O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4CNC(=O)c4c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc4cn[nH]c4cc3C)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc[nH]c(=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc[nH]c(=O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cc[nH]c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(=O)[nH]c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(C)CO)c(Cl)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(Cl)c3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(Cl)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(F)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(N)=O)c(c3)C(F)(F)F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(O)C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C(O)C(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(C)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(=O)NCCO)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(=O)NCCS(C)(=O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:50:49:47.46:44.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)c(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)cn3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)cn3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)=O)nc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(N)C(O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CC(O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CCO)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CN)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CNC(C)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CNS(C)(=O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)c(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)c(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)cn3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CO)nc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)c(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(C)(=O)=O)cc3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(N)(=O)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(CS(N)(=O)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(Cl)c(c3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c(C(O)=O)c3F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c(c3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c(c3)C(O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:35:37:43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)c4CC(=O)Nc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)cc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:41:40:38.37:34.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(F)cc3C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N4CCC(O)C4=O)c(C)n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N4CCC(O)C4=O)c(C)n3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N4CCCC(O)C4=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:49:48:42.43:45.46|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(N4CCCC(O)C4=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(=O)C(C)(C)C)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(=O)C(C)(C)C)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(=O)C(C)(C)C)nc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(=O)OCC4CC4)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)c(c3)C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(C)=O)nc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NC(N)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(NS(C)(=O)=O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(C(N)=O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(C(N)=O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(C(O)=O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(C)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(C)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(Cl)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(F)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(F)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(F)n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(N)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(c3)-c3ccno3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)c(c3)-c3ccno3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)cc3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(O)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OC(C)=O)cc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCC(=O)NCC#N)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCC(C)(C)O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCC(N)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCC(N)=O)cc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCCO)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCCO)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCc4ccncc4)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:45.44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCc4ncco4)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:44.43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCc4ncco4)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCc4nnc(C)o4)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:45.44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(OCc4nnc(C)o4)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(\C=C\C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(\C=C\C(N)=O)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(\C=C\C(N)=O)cc3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(c(F)c3)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(c(F)c3)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(c(F)c3)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3c[nH]c(=O)[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3c[nH]c(=O)[nH]3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3nnc(C)o3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3nnc(N)s3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3nnn[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3noc(=O)[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)-c3noc(=O)[nH]3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)N(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCC(C)(C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:50:49:43.44:46.47|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCC(C)(C)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCC3(CC3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:50:49:43.44:46.47|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCCC(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCCO)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(=O)NCO)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(C)O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(C)O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C(O)CO)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C3(C)NC(=O)NC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C3(C)NC(=O)NC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C3CC(=O)N3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)C3CC(=O)N3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCC(O)C3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCC(O)C3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCS3(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCCS3(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCNC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3CCNC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)N3C[C@H](CO)OC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)S(=O)(=O)N3CCOCC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:49:48:46.45:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)S(=O)(=O)NC3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3C(F)(F)F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3C(F)(F)F)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3Cl)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3Cl)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3F)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cc3F)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cn3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(cn3)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)C(=O)N(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)C(=O)N(C)C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)N3CCC(O)C3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)N3CCC(O)C3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3C)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3C)N3CCC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3OC)N3CCCC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc(nc3OC)N3CCCC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)COc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)NCCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)NCCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)NCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)OCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(=O)OCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4C(O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(Cc4c3)NC(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(Cc4c3)NC(C)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CC(O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CCC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CCCNc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CCNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CCNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CCOc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CN(C)C(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4COC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4COC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4N(C)C(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4N(C)S(=O)(=O)CC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)C(C)(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)C(F)(F)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CC(C)(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CCc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:36:38:44:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CNC(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)COc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)COc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC2C[C@H](O)C1[C@@H]2N |TLB:45:44:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)Cc4n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)N(C)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)NCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)OCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4NC(=O)OCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OC(CO)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OC(CO)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCC(=O)Nc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCCNc4n3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCCOc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCCOc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4OCCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[n+]([O-])cccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[n+]([O-])cccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH+]cc(C(O)=O)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)[nH]c(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)c(C)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)c(C)c(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(C)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(CO)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)cc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]c(=O)ncc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]ncc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4[nH]ncc4c3C)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ccnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ccnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ccnc4n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ncnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(O)ncnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(c3)[nH]c(=O)[nH]c4=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(c3)[nH]c(=O)[nH]c4=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(cc[nH]c4=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(cc[nH]c4=O)c3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4c(cc[nH]c4=O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4cc[n+]([O-])cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4cc[n+]([O-])cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ccc(=O)[nH]c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ccc(O)cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ccc(O)nc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4cnc(O)cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4cnccc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4n(C)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4n(CC(C)(C)O)c(=O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:50:49:43.44:46.47|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(C)cc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(C)cc(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)cc(=O)n4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)cc(O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)ccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)cnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(O)cnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(cc(O)c4c3)C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(ccc4c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nc(ccc4c3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ncc(C#N)c(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nccc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ncccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nccnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ncnc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4ncnn4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nncc(O)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nncnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nncnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nnn(C)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nnnn4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4nnnn4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4occc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccc4scnc4c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(=O)[nH]3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C#N)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C#N)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C(F)F)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C(N)=O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C(N)=O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(C(O)=O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CC(N)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CC(N)=O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CCC(O)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CNC(C)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CO)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(CS(N)(=O)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(F)c3C(O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(F)c3C(O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(N(C)C(=O)C=C)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(N(C)S(=O)(=O)C=C)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(N)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NC(=O)C(C)=C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NC(=O)N(C)C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NC(C)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NC(N)=O)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NC(N)=O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NS(=O)(=O)C=C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:46:45:43.42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(NS(C)(=O)=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3C(F)(F)F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3OC)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(O)c3OC)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)C(=O)N(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)C(=O)NCCN(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:48:47:45.44:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)N3CCC(=C)C3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:47:46:44.43:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)S(=O)(=O)NCCO)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc(c3)S(N)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4C(=O)NCCc34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4C(=O)NCc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4C(=O)NCc34)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4CC(=O)Nc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4CC(=O)Nc34)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4CN(CCc34)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4CN(CCc34)C(C)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4N(CCCc34)C(C)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:40.41:43.44|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4NC(=O)CCc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4NC(=O)COc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4[nH]c(=O)[nH]c(=O)c34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4[nH]c(=O)[nH]c(=O)c34)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:37:39:45:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4[nH]c(=O)ccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4c(O)nccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4c(O)nccc34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4nc(C)ccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4ncccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccc4ocnc34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccccc3C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccccc3C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccccc3C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccccc3NC=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccccc3NS(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3-c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3-c3cccnc3Cl)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3-c3cncnc3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3-c3cncs3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3-c3csc(n3)N3CCCCC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3N3CCCC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3N3CCNCC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3N3CCOCC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cccnc3S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn(C)c(=O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn(C)c(=O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn(C)n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:40:39:37.36:33.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn(CC(C)C)n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4c(C)nnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4c(C)nnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4cnnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4nc(C)c(F)c4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4nc(C)c(F)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4nc(C)cc4n3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4nnnc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccn4nnnc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(F)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(F)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(OC)c3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(OC)c3OC)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(c3)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc(c3)N3CCCC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc4NC(=O)Cc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnc4NC(=O)Cc34)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccncc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnn3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ccnn3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)c(=O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)c(=O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nc3-c3ccc(F)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:44.43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nc3C(F)(F)F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nc3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cn(C)nn3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(C#N)c(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(C(N)=O)c(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(C(N)=O)c(C)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(CO)c(F)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(CO)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(CO)nc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(F)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(N)c(CO)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(N)c(CO)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(N4CCC(O)C4=O)c(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:48:47:41.42:44.45|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(N4CCC(O)C4=O)c(C)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)c(CO)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)c(O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)cc3Cl)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(NC(C)=O)cc3Cl)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(cc3C)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(cc3C)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(cc3C)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(nc3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(nc3)C#N)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(nc3)C(N)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc(nc3)C(N)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4C(=O)NCCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |THB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4CC(=O)Oc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4CNC(=O)c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)CCc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:45:44:42.41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)CCc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)COc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)COc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)Cc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:44:43:41.40:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NC(=O)Cc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NCCOc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4NCCOc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4OCC(=O)Nc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4OCC(=O)Nc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4[nH]c(=O)[nH]c4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4[nH]c(=O)oc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4[nH]ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:43:42:40.39:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4nc(O)ccc4c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnc4nc(O)ccc4c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cncc(O)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cncc(c3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cncs3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |TLB:39:38:36.35:32.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn(C)c3-c3ccc(F)cc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:47:46:44.43:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn(CC(C)(C)O)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn(c3)C(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn(c3)C3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn4CCCCc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3cnn4ccccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3n[nH]c4ccccc34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nc4ccccn4n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nc4ncccn4n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nc4ncccn4n3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ncc(O)cc3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3ncc(O)cc3C)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nccc(O)c3F)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nnc4ccccn34)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:40.39:36.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3nnnn3C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:40:39:37.36:33.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-c3sc(nc3C)C(C)C)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-n3c(C)cccc3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-n3c(C)cccc3=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)-n3cc4cc(O)ccc4n3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)N(C)C)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)N(C)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)NC3CCC(=O)NC3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3ccc(C(N)=O)c(F)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3cccc(c3)S(N)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3ccnc(C)c3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3ccncc3CO)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(=O)Nc3ccncc3CO)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;$|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(C)NC(=O)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(C)O)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C(F)F)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C3CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C3CCC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)C3CCCC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)(O)CF)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C(O)(CF)CF)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3(O)CSC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3=C(C)N4NNN=C4C=C3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r,c:25,31,34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3=CC4N=CC(C(N)=O)=C4N=C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |c:28,33,36,t:25,TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3=CCN(C)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,t:25,THB:41:40:38.37:35.34|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3=CCNC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,t:25,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CC(C)(O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,wU:39.47,THB:40:39:37.36:34.33,(-5.23,-2.6,;-3.89,-1.83,;-3.89,-.29,;-5.23,.48,;-5.23,2.02,;-3.89,2.79,;-2.56,2.02,;-1.02,2.02,;-.14,.8,;1.4,.8,;2.02,2.21,;3.56,2.06,;4.7,3.09,;6.16,2.62,;6.49,1.12,;5.35,.08,;3.88,.55,;2.55,-.22,;2.4,-1.76,;3.49,-2.85,;3.89,-4.33,;4.98,-3.24,;7.96,.65,;8.66,-.72,;10.03,-.02,;10.8,-1.35,;11.37,.75,;9.33,1.35,;-1.22,-.29,;-1.22,-1.83,;-2.56,.48,;-6.56,2.79,;-6.56,4.33,;-7.89,2.02,;-7.89,.48,;-9.23,-.29,;-10.56,.48,;-10.56,2.02,;-9.23,2.79,;-9.83,1.31,;-11.37,1.31,)|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CC(O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,wU:38.46,THB:39:38:36.35:33.32,(-5.29,-2.6,;-3.96,-1.83,;-3.96,-.29,;-5.29,.48,;-5.29,2.02,;-3.96,2.79,;-2.62,2.02,;-1.08,2.02,;-.2,.8,;1.34,.8,;1.96,2.21,;3.49,2.06,;4.63,3.09,;6.1,2.62,;6.42,1.12,;5.28,.08,;3.82,.55,;2.49,-.22,;2.33,-1.76,;3.42,-2.85,;3.82,-4.33,;4.91,-3.24,;7.89,.65,;8.6,-.72,;9.96,-.02,;11.43,-.49,;9.26,1.35,;-1.29,-.29,;-1.29,-1.83,;-2.62,.48,;-6.63,2.79,;-6.63,4.33,;-7.96,2.02,;-7.96,.48,;-9.29,-.29,;-10.63,.48,;-10.63,2.02,;-9.29,2.79,;-9.89,1.31,;-11.43,1.31,)|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CC(O)C3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 |wU:34.40,wD:37.43,(-7.75,-5.15,;-6.42,-4.38,;-6.42,-2.84,;-7.75,-2.07,;-7.75,-.53,;-6.42,.24,;-5.08,-.53,;-3.62,-.06,;-2.71,-1.3,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-.74,1.41,;-2.25,1.73,;-3.71,1.25,;-3.39,2.76,;5.2,.24,;5.6,1.72,;7.08,1.33,;8.42,2.1,;6.69,-.16,;-3.62,-2.55,;-3.14,-4.01,;-5.08,-2.07,;-9.08,.24,;-9.08,1.78,;-10.42,-.53,;-11.75,.24,;-13.08,-.53,;-14.42,.24,;-13.08,-2.07,;-11.75,-2.84,;-11.75,-4.38,;-10.42,-2.07,)|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:37:36:34.33:31.30|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCC(O)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1 |wU:36.42,wD:39.45,(-7.75,-5.15,;-6.42,-4.38,;-6.42,-2.84,;-7.75,-2.07,;-7.75,-.53,;-6.42,.24,;-5.08,-.53,;-3.62,-.06,;-2.71,-1.3,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-.74,1.41,;-2.25,1.73,;-3.71,1.25,;-3.39,2.76,;5.2,.24,;5.2,1.78,;6.53,2.55,;7.87,1.78,;9.2,2.55,;7.87,.24,;6.53,-.53,;-3.62,-2.55,;-3.14,-4.01,;-5.08,-2.07,;-9.08,.24,;-9.08,1.78,;-10.42,-.53,;-11.75,.24,;-13.08,-.53,;-14.42,.24,;-13.08,-2.07,;-11.75,-2.84,;-11.75,-4.38,;-10.42,-2.07,)|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCCC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCCCC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCN(C3)C(=O)OCc3ccccc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:49:48:46.45:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCN(CC3)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCNC(=O)C3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCNC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:39:38:36.35:33.32|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CCNCC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:40:39:37.36:34.33|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CN(C3)C(C)=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3CNC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)C3COC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |THB:29:31:37:34.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(C)C)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(C)C)S(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(C)C)S(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)CC2 |r,THB:33:35:40.42.43:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(=O)(=O)C3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)C1C[C@@H]2C[C@@H](N)[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC2(C1)CCCCN2
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC2(C1)CCCN2
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC2(C1)CCNC2
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC2(N)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCCC2(N)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC2(CCC2N)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCCC(C)(N)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCCC2(CCCCN2)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCCC2(CCCN2)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCCC2(CCN2)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CC[C@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@@H]2CC[C@@](N)(C2)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:33:35:41:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)CC2 |r,THB:33:35:40.42.43:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)CC2 |r,THB:33:35:40.42.43:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)NC1CCNC1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)C#C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)C=C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)CCCN(C)C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@H]1CCNC1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@H]1CNC[C@@H]1NC(=O)\C=C\CN(C)C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c12)C(=O)N[C@H]1CNC[C@@H]1NC(C)=O |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C3CC3)c12)C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C3CC3)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)CC2 |r,THB:35:37:42.44.45:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(c12)C12CC(C1)C2)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)C(=O)N(C)C)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(=O)(=O)C(C)C)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(=O)(=O)C3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(=O)(=O)c3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:31:33:38.40:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(C)(=O)=O)n(CC3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)S(C)(=O)=O)n(CC3CC3)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C)c3ccncc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |r,THB:42:41:39.38:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(=O)(=O)C3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CC[C@@H](C)[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1COC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C3CCC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(CC(F)(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(CC(F)F)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(CC3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(CC3CCC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(Cc3ccccc3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(c3ccccc3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3C(C)CCC3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3C(C)CCCC3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)C(=O)N(C)C)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)C(C)(C)O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)N3CCS(=O)(=O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)c3ccccn3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(C3)c3cccnc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC(O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:39:38:32.33:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC4(C3)CCOC4)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:39.38:35.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC4(CC(O)C4)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:42:41:35.36:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC4(CCS4(=O)=O)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:43:42:36.37:39.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC4(COC4)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:38.37:34.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(C3)c3ccncc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(CC3)C(=O)NCCO)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(CC3)N3CCCC3=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:41.40:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(CO)C3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC(O)(C3)c3ccccc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CC(=O)N4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CN(C)C(=O)O4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:46:45:39.40:42.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CNC(=O)O4)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:38.39:41.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CNC(=O)O4)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CNC4=O)CC3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:44:43:37.38:40.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCC4(CNC4=O)CC3)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCC3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCC3c3cccnc3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCC3c3cnn(C)c3)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:45:44:42.41:38.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCCC3=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCCS3(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCN(C)S3(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCNS3(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCCS3(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CC[C@@H](C3)C#N)n(C)c12)C(=O)N1CC2CCC1[C@@H]2N |TLB:41:40:34.35:37.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3CCc4cc(F)ccc4C3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3Cc4ccc(N)cc4C3=O)n(C)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@@H](C)CCC3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@@H](C)CCCS3(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@@H](C)CCCS3(=O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:34:36:42:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@@H](C)CCCS3(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:34:36:41.43:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@@H](C)CCCS3(=O)=O)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)N3[C@H](C)CCC3=O)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)S(=O)(=O)C(C)C)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)S(C)(=O)=O)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)N3CCCC3=O)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)N3CCCC3=O)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:34:36:41.43:39.38|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)C)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)CC(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)OC)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)(C)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(C)n3cccn3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C(F)(F)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(C)CC3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)C(F)(F)F)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)c3ccc(F)cc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)c3ccc(cc3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3(CC3)n3cccn3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)(C4)C#N)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)(C4)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)(C4)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)C4)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(C3)C4)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(Cl)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(Cl)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C3CC3)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C34CC(F)(C3)C4)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3CC(F)(F)C3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3CC(F)(F)C3)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3CC(F)(F)C3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)C3CC3(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)Cc3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)Cn3cccn3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N(C)C)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N3CC(F)(F)C3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N3CC(O)C3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N3CCCC3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:35:37:42.44:40.39|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)N3CC[C@@H](F)C3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)[C@@H](C)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)[C@@]3(C)CC3(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3c(C)cccc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3c(F)cc(F)cc3F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3c(F)cccc3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3c(F)cccc3F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cc(C)nc(C)c3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cc(F)ccc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccc(F)cc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccc(nc3)C(F)F)n(C3CC3)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
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COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccc(n3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3C(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3C(F)F)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:39:41:46.48:44.43|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3Cl)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccccc3OC(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccnc3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccnc3C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccnc3C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccnc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cccnc3Cl)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccnc(Cl)c3)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccnc(c3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ccnc(n3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnc(cn3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnc(nc3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnc(nc3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(C)c3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(C)c3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C(F)F)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3cnn(c3)C3CC3)n(C)c12)C(=O)N1C[C@H](N)[C@@H]2CC[C@H]1C2 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3nc(C)cc(n3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3nc(C)ccc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3nccc(C)n3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3nccc(n3)C(F)(F)F)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ncccc3C)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(=O)c3ncccn3)n(C)c12)C(=O)N1C[C@H](N)CCN1C |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(C)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:31:33:38.40:36.35|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(C)=O)n(C3CC3)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NC(C)=O)n(C3CC3)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NS(=O)(=O)c3ccc(F)cc3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:38:40:45.47:43.42|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@@H](C)NS(C)(=O)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:32:34:39.41:37.36|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@H]3CCCN3C(=O)C(C)(C)C)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:36:38:43.45:41.40|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@H]3CCCN3C(=O)N3CCCC3)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:37:39:44.46:42.41|
COc1cc(cc2nc(-c3cc4ccc(nc4n3CC3CC3)[C@H]3CCCN3C(C)=O)n(C)c12)C(=O)N1[C@H]2CC[C@@H]1[C@H](N)C2 |r,THB:33:35:40.42:38.37|
COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccccc4n3CC(F)(F)F)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N1CC[C@@H](O)[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12)C(=O)N[C@@H]1CNC[C@H]1NC(=O)\C=C\CN(C)C
COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@@H]([C@@H]1[C@@H]2N)N(C)C(=O)C=C |THB:35:31:33:27.28,25:27:33:30.31|
COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](NC(=O)C=C)[C@@H]1[C@@H]2N |THB:32:31:38:27.28,25:27:38:30.31|
COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H](OC(=O)C=C)[C@@H]1[C@@H]2N |TLB:32:31:28.27:38,25:27:31.30:38|
COc1cc(cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2C[C@H]([C@@H]1[C@@H]2N)N(C)C(=O)C=C |THB:35:31:33:27.28,25:27:33:30.31|
COc1cc(cc2nc(-c3ccc(-c4ccccc4)n3CC(F)(F)F)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(-c4ccccn4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(Br)c(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32|
COc1cc(cc2nc(-c3ccc(C#N)n3C3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30|
COc1cc(cc2nc(-c3ccc(C#N)n3CC(F)(F)F)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(-c3ccccc3)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:28:30:33.34:36|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n(C[C@H]3C[C@](C)(C3)OC)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,wU:34.38,37.42,38.45,24.26,wD:22.23,24.29,TLB:30:32:35.36:38,(-2.56,-1.4,;-1.23,-.63,;-1.23,.91,;-2.56,1.68,;-2.56,3.22,;-1.23,3.99,;.11,3.22,;1.57,3.69,;2.48,2.45,;4.02,2.45,;4.92,3.69,;6.39,3.22,;6.39,1.68,;7.63,.77,;8.87,-.13,;4.92,1.2,;4.45,-.26,;5.48,-1.41,;5.8,-2.92,;6.94,-1.89,;1.57,1.2,;2.05,-.26,;1.02,-1.41,;-.52,-1.41,;-.52,-2.95,;-2.01,-3.35,;1.02,-2.95,;-.92,-4.44,;.17,-5.53,;.11,1.68,;-3.89,3.99,;-3.89,5.53,;-5.23,3.22,;-5.23,1.68,;-6.56,.91,;-7.89,1.68,;-7.89,3.22,;-6.56,3.99,;-6.96,2.5,;-8.87,2.5,)|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n([C@@H](C)c3ccccn3)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:30:32:35.36:38|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CC3)n([C@H](C)c3ccccn3)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:30:32:35.36:38|
COc1cc(cc2nc(-c3ccc(C#N)n3CC3CCOCC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C#N)n3CCC3CCOCC3)n(C)c12)C(=O)N1C[C@H]2CCC1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3ccc(C#N)n3CCc3ccccc3)n(C)c12)C(=O)N1C[C@H]2CCC1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3ccc(C#N)n3CCc3ccccn3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3ccc(C#N)n3C[C@@H](C)c3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:28:30:33.34:36|
COc1cc(cc2nc(-c3ccc(C#N)n3C[C@H](C)c3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:28:30:33.34:36|
COc1cc(cc2nc(-c3ccc(C#N)n3C[C@H]3C[C@](C)(C3)OC)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,wU:31.34,34.38,35.41,19.20,wD:17.17,19.23,TLB:27:29:32.33:35,(-2.92,-1.95,;-1.59,-1.18,;-1.59,.36,;-2.92,1.13,;-2.92,2.67,;-1.59,3.44,;-.25,2.67,;1.21,3.15,;2.12,1.9,;3.66,1.9,;4.56,3.15,;6.03,2.67,;6.03,1.13,;7.27,.23,;8.51,-.68,;4.56,.66,;4.09,-.81,;5.12,-1.95,;5.12,-3.49,;6.66,-3.49,;7.06,-4.98,;6.66,-1.95,;8.15,-3.89,;9.23,-2.8,;1.21,.66,;1.69,-.81,;-.25,1.13,;-4.25,3.44,;-4.25,4.98,;-5.59,2.67,;-5.59,1.13,;-6.92,.36,;-8.25,1.13,;-8.25,2.67,;-6.92,3.44,;-7.32,1.95,;-9.23,1.95,)|
COc1cc(cc2nc(-c3ccc(C#N)n3Cc3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C#N)n3Cc3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:26:28:31.32:34|
COc1cc(cc2nc(-c3ccc(C#N)n3Cc3cccnc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:26:28:31.32:34|
COc1cc(cc2nc(-c3ccc(C#N)n3Cc3cnn(C)c3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:26:28:31.32:34|
COc1cc(cc2nc(-c3ccc(C(=O)N(C)C)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C(=O)N(C)C)n3Cc3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C(=O)N(Cc4ccccc4)c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C(=O)Nc4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C(N)=O)n3Cc3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(C)c(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:24:26:29.30:32|
COc1cc(cc2nc(-c3ccc(C)nc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3ccc(Cc4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3ccc(F)nc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3cccc(=O)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3cccc(OCC4CC4)n3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3cccn3-c3ccccc3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cccnc3Br)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:19:21:24.25:27|
COc1cc(cc2nc(-c3cccnc3C(C)C)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:21:23:26.27:29|
COc1cc(cc2nc(-c3cccnc3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:22:24:27.28:30|
COc1cc(cc2nc(-c3cccnc3CC3CC3C(O)=O)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:25:27:30.31:33|
COc1cc(cc2nc(-c3cccnc3CC3CC3C)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:23:25:28.29:31|
COc1cc(cc2nc(-c3cn(CC4CC4)c(n3)-c3ccccc3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3cn(CC4CC4)c(n3)-c3nccs3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cn(Cc4ccccc4)c(C)n3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@@H](N)CC[C@H]1C |r|
COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H](N)CC[C@@H]1C |r|
COc1cc(cc2nc(-c3cnc(-c4ccccc4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3cnc(-c4ccccn4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cnc(-c4ccccn4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(cc2nc(-c3cnc(-c4cnn(C)c4)n3CC3CC3)n(C)c12)C(=O)N1CCC[C@@H](N)C1 |r|
COc1cc(cc2nc(-c3cnc(-c4cnn(C)c4)n3CC3CC3)n(C)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:27:29:32.33:35|
COc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1)C(N)=O |r,THB:35:34:32.31:28.29|
COc1cc(ccc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1)C(N)=O |r,THB:35:34:32.31:29.28|
COc1cc(ccc1C(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(ccc1CC(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:39:38:32.33:35.36|
COc1cc(ccc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:37:36:30.31:33.34|
COc1cc(ccc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(ccc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |TLB:36:35:33.32:29.30|
COc1cc(ccc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1cc(ccc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:36:35:33.32:30.29|
COc1cc(ccc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2c1
COc1cc(ccc1OC(C)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:39:38:36.35:33.32|
COc1cc(ccc1OC(C)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:39:38:36.35:33.32|
COc1cc(ccn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:35:34:32.31:29.28|
COc1cc(ccn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COc1cc(cnc1C(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:38:37:31.32:34.35|
COc1cc(cnc1C(N)=O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc(cnc1N)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1cc2NC(=O)CCc2cc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |TLB:40:39:33.34:36.37|
COc1cc2NC(=O)CCc2cc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:40:39:33.34:36.37|
COc1cc2NC(=O)CCc2cc1-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1cc2cc(-c3nc4cc(cc5OCCn3c45)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2cc1OC |r|
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
COc1ccc(Cn2c(cc3cc(F)ccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)cc1 |r|
COc1ccc(Cn2c(cc3ccc(F)cc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)cc1 |r|
COc1ccc(Cn2c(cc3ccccc23)-c2nc3cc(cc4OCCn2c34)C(=O)N2CCC[C@@H](N)C2)cc1 |r|
COc1ccc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)cc1 |r|
COc1ccc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)nc1 |r|
COc1ccc(NC(=O)c2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4C[C@H](N)C[C@@H](F)C4)n(CC4CC4)c3n2)cc1O
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(C)ccc3n(C)c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(C)c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(CCOCCOCC#C)c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(CCOCCOCCOCC#C)c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(C)c3ccccc3[nH]c2=O)cc1
COc1ccc(\C=C\C(=O)c2c(OC)nc3ccccc3c2-c2ccccc2)cc1
COc1ccc(\C=C\C(=O)c2c(cc[nH]c2=O)-c2ccccc2)cc1
COc1ccc(\C=C\C(=O)c2cc3ccccc3[nH]c2=O)cc1
COc1ccc(\C=C\C(=O)c2ccc[nH]c2=O)cc1
COc1ccc(c(CO)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:37:36:34.33:31.30|
COc1ccc(c(Cl)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |TLB:36:35:33.32:29.30|
COc1ccc(c(Cl)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1ccc(c(F)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |TLB:36:35:33.32:29.30|
COc1ccc(c(F)c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
COc1ccc(cc1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COc1ccc(cc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |THB:28:30:36:33.34|
COc1ccc(cc1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |THB:28:30:36:33.34|
COc1ccc(cc1Cl)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2c1 |TLB:36:35:33.32:29.30|
COc1ccc(cc1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:33.32:29.30|
COc1ccc(cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:29.30:32.33|
COc1ccc(cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1ccc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
COc1ccc2cc(-c3nc4cc(cc5NCCn3c45)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(CC(C)C)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(CC(F)F)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(Cc3ccc(F)cc3)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(Cc3cccnc3)c2c1 |r|
COc1ccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(Cc3ccncc3)c2c1 |r|
COc1cccc(Cn2c(cc3cc(F)c(F)cc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)c1 |r|
COc1cccc(Cn2c(cc3cc(F)ccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)c1 |r|
COc1cccc(Cn2c(cc3ccc(F)cc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)c1 |r|
COc1cccc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)c1 |r|
COc1cccc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@H](C2)NC(=O)OC(C)(C)C)c1 |r|
COc1cccc(F)c1C(=O)N[C@H](C)c1ccc2cc(-c3nc4cc(cc(OC)c4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2c1 |r,THB:34:36:41.43:39.38|
COc1cccc(c1CO)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:37:36:34.33:31.30|
COc1cccc(c1F)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |THB:27:29:35:32.33|
COc1cccc(n1)-c1nc2cc(cc(OC)c2n1C)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N |r,TLB:20:22:25.26:28|
COc1cccc2cc(-c3nc4cc(ccn4c3C)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c12 |r|
COc1ccncc1\C=C\C(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
COc1cncc(c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2c1 |r,THB:35:34:32.31:29.28|
COc1cncc(c1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccn1
COc1ncc(cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |TLB:36:35:29.30:32.33|
COc1ncc(cc1O)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
COc1ncc(cn1)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3CC4CCC3[C@@H]4N)n(CC3CC3)c2n1 |r,THB:35:34:32.31:29.28|
COc1nccc(Nc2ccc3cc(-c4nc5cc(cc(OC)c5n4C)C(=O)N4CC5CCC4[C@@H]5N)n(CC4CC4)c3n2)n1 |r,THB:35:34:32.31:29.28|
COc1nccc(c1C)-c1ccc2cc(-c3nc4cc(cc(OC)c4n3C)C(=O)N3C[C@H](N)C[C@@H](F)C3)n(CC3CC3)c2n1
CS(=O)(=O)CCn1c2ccc(F)cc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
CS(=O)(=O)N(C(F)F)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
CS(=O)(=O)N(C(F)F)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |r,TLB:26:28:34:32.31|
CS(=O)(=O)N(C(F)F)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1 |r,THB:26:28:33.35:31.30|
CS(=O)(=O)N(C(F)F)c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)CC4)n(CC3CC3)c2n1 |r,THB:26:28:33.35.36:30.31|
CS(=O)(=O)Nc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
CSc1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
C[C@@H](NC(=O)C(C)(C)C)c1ccc2cc(-c3nc4cc(C(=O)N[C@H]5CNCC[C@@H]5F)c(F)cc4n3C)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)C1(CC1)C#N)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)C12CC(C1)(C2)C#N)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)C12CC(F)(C1)C2)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)C1CCOCC1)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)N(C)C)c1ccc2cc(-c3nc4cc(C(=O)N[C@H]5CNCC[C@@H]5F)c(F)cc4n3C)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)[C@@H]1CC1(F)F)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)[C@H]1CC1(F)F)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)c1ccc(nc1)C(F)F)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NC(=O)c1cnn(c1)C1CC1)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](NS(=O)(=O)C1CC1)c1ccc2cc(-c3nc4cc(cc(F)c4n3C3CC3)C(=O)N3C[C@H](N)[C@@H]4CC[C@H]3C4)n(CC3CC3)c2n1 |r|
C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(=N)CF)C(N)=O |r|
C[C@@H]1[C@H](N)CCCN1C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc2ccsc2cc1C(=O)NC3C |r|
C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
C[C@H](CN)NC(=O)c1cc2nc(-c3cc4ccc(nc4n3CC3CC3)N(C(F)F)S(C)(=O)=O)n(C)c2cc1F |r|
C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c2n1 |r|
C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)n(CC3CC3)c2n1 |r,TLB:27:29:35:33.32|
C[C@H]1CCCS(=O)(=O)N1c1ccc2cc(-c3nc4cc(ccc4n3C3CC3)C(=O)N3[C@H]4CC[C@@H]3[C@H](N)C4)n(CC3CC3)c2n1 |r,THB:27:29:34.36:32.31|
C\C(=C/C(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O)c1ccccn1
C\C=C\C(=O)Nc1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
Cc1c(nc2cc(cc(C)n12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
Cc1c(nc2cc(cc(C)n12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccccc1 |r|
Cc1c(nc2cc(cc(C)n12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccccn1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC2OCCNC2C1)-c1cc2ccccc2n1CC1CC1
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1c(Br)c2ccccc2n1CC1CC1 |r,wU:16.18,(.74,-30.91,;.27,-32.38,;1.17,-33.62,;.27,-34.87,;-1.2,-34.39,;-2.53,-35.16,;-3.86,-34.39,;-3.86,-32.85,;-2.53,-32.08,;-1.2,-32.85,;-5.2,-35.16,;-5.2,-36.7,;-6.53,-34.39,;-7.3,-35.72,;-8.84,-35.72,;-9.61,-34.39,;-8.84,-33.06,;-9.61,-31.72,;-7.3,-33.06,;2.71,-33.62,;3.62,-34.87,;3.14,-36.33,;5.08,-34.39,;6.42,-35.16,;7.75,-34.39,;7.75,-32.85,;6.42,-32.08,;5.08,-32.85,;3.62,-32.38,;3.14,-30.91,;4.17,-29.77,;5.64,-29.29,;4.49,-28.26,)|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2c(F)cccc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cc(Br)ccc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cc(F)ccc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cc(F)ccc2n1Cc1ccc(F)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cc(F)ccc2n1Cc1ccncc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(F)cc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(F)cc2n1Cc1ccc(F)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(F)cc2n1Cc1cccnc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(F)cc2n1Cc1ccncc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cccc(C)c2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cccc(Cl)c2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2cccc(Cl)c2n1Cc1ccc(F)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1C |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC(F)(F)F |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CCC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CCOCC1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccc(CO)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccc(F)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccc(F)cn1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccc(cc1)C#N |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1cccc(F)c1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccccc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccccc1F |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccccn1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1cccnc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1cccnn1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccn(C)c(=O)c1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccncc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccoc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccsc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1cncnc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ncccc1F |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@H](C1)NC(=O)OC(C)(C)C)-c1cc2ccccc2n1CC(F)F |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@H](C1)NC(=O)OC(C)(C)C)-c1cc2ccccc2n1Cc1ccc(Cl)cc1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CCC[C@H](C1)NC(=O)OC(C)(C)C)-c1cc2ccccc2n1Cc1cnccn1 |r|
Cc1c(nc2cc(ccn12)C(=O)N1CC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
Cc1c(nc2cc(ccn12)C(=S)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1Cc1ccc(F)cc1 |r|
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
Cc1cc2n(C)c(nc2cc1C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r|
Cc1cc2n(C)c(nc2cc1C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r,TLB:11:13:19:17.16|
Cc1cc2n(C3CC3)c(nc2cc1C(=O)N1CCC[C@@H](N)C1)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r|
Cc1cc2n(C3CC3)c(nc2cc1C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r,TLB:13:15:21:19.18|
Cc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cn1
Cc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)CCl |r|
Cc1ccc2[nH]c(=O)c(C(=O)C(=C\c3cccnc3)\C#N)c(-c3ccccc3)c2c1
Cc1ccc2[nH]c(=O)c(C(=O)C=C)c(-c3ccccc3)c2c1
Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(cc3)C#N)c(-c3ccccc3)c2c1
Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1
Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Cc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Cc1cccc2cc(-c3nc4cc(cc5OCCn3c45)C(=O)N3CCC[C@@H](N)C3)n(CC3CC3)c12 |r|
Cc1ccccc1-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12 |(-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;-4,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,)|
Cc1ccncc1\C=C\C(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O
Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncc(F)c3)c(-c3ccccc3)c2c1
Cc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Cc1csc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)n1 |r|
Cc1nc(-c2ccccc2)n(CC2CC2)c1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r,wU:32.37,(3.91,3.85,;4.39,2.39,;5.85,1.91,;5.85,.37,;7.1,-.53,;7.1,-2.07,;8.43,-2.84,;9.76,-2.07,;9.76,-.53,;8.43,.24,;4.39,-.11,;3.91,-1.57,;4.94,-2.71,;5.26,-4.22,;6.41,-3.19,;3.48,1.14,;1.94,1.14,;1.04,2.39,;-.43,1.91,;-1.76,2.68,;-3.1,1.91,;-3.1,.37,;-1.76,-.4,;-.43,.37,;1.04,-.11,;1.51,-1.57,;-4.43,2.68,;-4.43,4.22,;-5.76,1.91,;-5.76,.37,;-7.1,-.4,;-8.43,.37,;-8.43,1.91,;-9.76,2.68,;-7.1,2.68,)|
Cc1nc(C)c(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)s1 |r|
Cc1nc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c[nH]1
Cc1ncc(Cn2c(cc3ccccc23)-c2nc3cc(ccn3c2C)C(=O)N2CCC[C@@H](N)C2)s1 |r|
Cc1ncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cn1
Cc1ncn(CC2CC2)c1-c1nc2cc(ccc2n1C)C(=O)N1CCC[C@@H](N)C1 |r,wU:26.30,(5.59,3.85,;6.07,2.39,;7.53,1.91,;7.53,.37,;6.07,-.11,;5.59,-1.57,;6.62,-2.71,;6.94,-4.22,;8.08,-3.19,;5.16,1.14,;3.62,1.14,;2.72,2.39,;1.25,1.91,;-.08,2.68,;-1.42,1.91,;-1.42,.37,;-.08,-.4,;1.25,.37,;2.72,-.11,;3.19,-1.57,;-2.75,2.68,;-2.75,4.22,;-4.08,1.91,;-4.08,.37,;-5.42,-.4,;-6.75,.37,;-6.75,1.91,;-8.08,2.68,;-5.42,2.68,)|
Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1
ClCC(=N)NCCCC(=O)NCc1cccc(c1)-c1ccccc1
ClCC(=N)NCCCc1cn(CC2CCCC2)c2ccccc12
ClCC(=N)NCCCc1cn(Cc2ccccc2)c2ccccc12
ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1
ClCC(=N)NCCCc1nc(Cl)c([nH]1)-c1cccc(c1)-c1ccccc1
ClCC(=N)NCCCc1ncc([nH]1)-c1cccc(c1)-c1ccccc1
ClCC(=N)NCCCc1nn(CC2CCCC2)c2ccccc12
ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1
ClCC(=N)NCCOC(=O)NCc1cccc(c1)-c1ccccc1
ClCC(=N)NC\C=C\C(=O)NCc1cccc(c1)-c1ccccc1
Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccn3)c(-c3ccccc3)c2c1
Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Clc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Cn1c(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)nc2ccccc12
Cn1c(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3n(C)c2=O)nc2ccccc12
Cn1c(nc2cc(C(=O)N[C@H]3CNCCC3(F)F)c(F)cc12)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r|
Cn1c(nc2cc(C(=O)N[C@H]3CNCC[C@@H]3F)c(F)cc12)-c1cc2ccc(nc2n1CC1CC1)N(C(F)F)S(C)(=O)=O |r|
Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2CNC(=O)c2c1 |TLB:20:19:13.14:16.17|
Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)C(C)(F)F |TLB:20:19:17.16:13.14|
Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)C(C)(O)C1CC1 |TLB:20:19:13.14:16.17|
Cn1c(nc2cc(cc(F)c12)C(=O)N1CC2CCC1[C@H]2N)-c1cc2ccc(nc2n1CC1CC1)C(C)(O)C1CC1 |TLB:20:19:13.14:16.17|
Cn1c(nc2cc(cc(F)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(cc2n1CC1CC1)-c1ccc2CNC(=O)c2c1
Cn1c(nc2cc(cc(F)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(cc2n1CC1CC1)-c1ccc2nc(O)nc(O)c2c1
Cn1c(nc2cc(cc(F)c12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(nc2n1CC1CC1)C(C)(F)F
Cn1c(nc2cc(cc(F)c12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cnc(-c2ccccc2)n1CC1CC1 |r,TLB:11:13:16.17:19|
Cn1c(nc2cc(ccc12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1cc(F)c(O)c(F)c1 |r,THB:19:18:16.15:13.12|
Cn1c(nc2cc(ccc12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc(cc1)C(N)=O |r,THB:19:18:16.15:13.12|
Cn1c(nc2cc(ccc12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2CNC(=O)c2c1 |r,THB:19:18:16.15:13.12|
Cn1c(nc2cc(ccc12)C(=O)N1CC2CCC1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2NC(=O)Cc2c1 |r,THB:19:18:16.15:13.12|
Cn1c(nc2cc(ccc12)C(=O)N1CCC2CCNC2C1)-c1cnc(-c2ccccc2)n1CC1CC1
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc(Br)nn1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc(C2CC2)n(n1)C1CCC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc(nn1C1CCC1)C1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc(nn1CC1CC1)-c1ccccc1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc(nn1CC1CC1)C1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC(F)(F)F |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cc2ccccc2n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC(F)(F)F |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccn2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2cccnc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccncc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Br)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(CCc2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(\C=C\c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cccn1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cn(CC2CC2)c(n1)-c1ccccc1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccc(Cl)cc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(CCc2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnc(Cc2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cncn1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1cnn(c1C1CC1)-c1ccccc1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-c1ncc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@@H](N)C1)-n1nccc1-c1ccccc1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CCC[C@H](C1)NC(=O)C=C)-c1cc2cccnc2n1CC1CC1
Cn1c(nc2cc(ccc12)C(=O)N1CC[C@@H](F)[C@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CC[C@@H]2CCN[C@@H]2C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CC[C@H](F)[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1CC[C@H]2CCN[C@H]2C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@@H](N)C[C@H](F)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(nc2n1CC1CC1)-c1ccc(cc1)C(N)=O |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2CNC(=O)c2c1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2NC(=O)CCc2c1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@H](N)C[C@@H](F)C1)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2NC(=O)Cc2c1 |r|
Cn1c(nc2cc(ccc12)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2N)-c1cc2ccc(nc2n1CC1CC1)-c1ccc2NC(=O)CCc2c1 |THB:10:12:18:15.16|
Cn1c(nc2cc(ccc12)C(=O)N[C@H]1CNC[C@H]1OC(=O)C=C)-c1cc2cccnc2n1CC1CC1
Cn1c(nc2cc(cnc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(-c2ccccc2)n1CC1CC1 |r|
Cn1c(nc2cc(cnc12)C(=O)N1CCC[C@@H](N)C1)-c1ccc(Cc2ccccc2)n1CC1CC1 |r|
Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\C2CC2)c1=O
Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2ccccn2)c1=O
Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Cn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2nc3ccccc3[nH]2)c1=O
Cn1cc(CCCNC(=N)CCl)c2ccccc12
Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1 |r|
Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r|
Cn1cccc1C(=O)N[C@@H](Cn1ccnc1)C(=O)NCc1ccccc1 |r|
Cn1cccc1C(=O)N[C@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r|
Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
FC(F)(F)c1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
FC(F)(F)c1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2ccccn2)c(=O)[nH]c2ccccc12
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2cccnc2)c(=O)[nH]c2ccccc12
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\C3CC3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)[nH]c3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)n(CC#C)c3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(=O)n(CCN4CCOCC4)c3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(OCC#N)nc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(nc3)C#N)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccc(nc3)N3CCNCC3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccccn3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cccnn3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccncn3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3ccnnc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(Cl)c3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(F)c3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncc(c3)C#N)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(NC(=O)\C=C\c3ccccc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(NC(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(=O)c(c(-c3ccccc3)c2c1)S(=O)(=O)\C=C\c1cncnc1
Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cccnc3)c(=O)[nH]c2c1
Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncc(F)c3)c(=O)[nH]c2c1
Fc1ccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncnc3)c(=O)[nH]c2c1
Fc1ccc2n(CCC#N)c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Fc1ccc2n(CCC#N)c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Fc1ccc2n(CCN3CCOCC3)c(=O)c(C(=O)\C=C\c3cncc(c3)C#N)c(-c3ccccc3)c2c1
Fc1ccc2n(CCN3CCOCC3)c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Fc1cccc(c1)-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12
Fc1cccc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c12
Fc1cccc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c12
Fc1cccc2c(-c3ccccc3)c(C(=O)\C=C\c3cccnc3)c(=O)[nH]c12
Fc1cccc2c(-c3ccccc3)c(C(=O)\C=C\c3cncnc3)c(=O)[nH]c12
Fc1ccccc1-c1c(C(=O)\C=C\c2cncnc2)c(=O)[nH]c2ccccc12 |(-5.33,.77,;-4,1.54,;-4,3.08,;-2.67,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;,-.77,;,.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;-4,-3.08,;-5.33,-3.85,;-6.67,-3.08,;-6.67,-1.54,;-5.33,-.77,;-4,-1.54,)|
Fc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cccnc3)c(-c3ccccc3)c2c1
Fc1cnc2[nH]c(=O)c(C(=O)\C=C\c3cncnc3)c(-c3ccccc3)c2c1
Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1
Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)cnc3[nH]c2=O)c1
Fc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3cccc(F)c3[nH]c2=O)c1
NC(=N)CF
NC(=O)[C@@H](NC(=O)c1ccccc1)c1cccc(c1)N=C(N)CF |r,w:19.20|
NC(=O)[C@H](CCCN=C(N)CCl)NC(=O)c1ccccc1 |r,w:7.6|
NC(=O)[C@H](CCCN=C(N)CF)NC(=O)c1ccccc1 |r,w:7.6|
NC(=O)[C@H](CCCN=C(N)CF)NS(=O)(=O)c1ccccc1 |r,w:7.6|
NC(=O)[C@H](Cc1ccc(CN=C(N)CF)cc1)NC(=O)c1ccccc1 |r,w:10.9|
NC(=O)[C@H](Cc1ccc(cc1)N=C(N)CF)NC(=O)c1ccccc1 |r,w:11.11|
NC(=O)[C@H](Cc1cccc(c1)N=C(N)CF)NC(=O)c1ccccc1 |r,w:11.11|
NC(CCl)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
NC(CF)=NCCCCNC(=O)c1ccccc1 |w:4.4|
NC(CF)=NCCCCNS(=O)(=O)c1ccccc1 |w:4.4|
NC(CF)=NCCC[C@H](NC(=O)c1cc(ccc1O)[N+]([O-])=O)C(N)=O |r,w:4.4|
NC(CF)=NCCC[C@H](NC(=O)c1cc[nH]c1)C(N)=O |r,w:4.4|
NC(CF)=NCCC[C@H](NC(=O)c1ccccc1C(O)=O)C(N)=O |r,w:4.4|
NC(CF)=NCCC[C@H](NC(=O)c1cnc[nH]1)C(N)=O |r,w:4.4|
NC(CF)=NCc1ccccc1 |w:4.4|
NC(CF)=Nc1ccccc1 |w:4.4|
NC1=C(Br)C(=O)c2cccnc2C1=O |c:1|
NC1=CC(=O)c2ccc(nc2C1=O)-c1cccc(n1)C(O)=O |t:1|
NC1=CC(=O)c2ccc(nc2C1=O)-c1ccccn1 |t:1|
NC1=CC(=O)c2cccnc2C1=O |t:1|
NCC1CCCCN1C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1CC1CC1
NNC(=O)C(\NC(=O)c1ccccc1)=C/c1ccco1
N[C@@H]1CCCN(C1)C(=O)c1cc2NCCn3c(nc(c1)c23)-c1cc2cc(F)c(F)cc2n1CC1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2NCCn3c(nc(c1)c23)-c1cc2cc(F)ccc2n1CC1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2NCCn3c(nc(c1)c23)-c1cc2ccccc2n1CC1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2NCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1cccnc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2cc(F)ccc2n1CC1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1CC1CC1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccc(Cl)cc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccc(F)cc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccccc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccccc1F |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccccn1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1cccnc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1cc2OCCn3c(nc(c1)c23)-c1cc2ccccc2n1Cc1ccncc1 |r|
N[C@@H]1CCCN(C1)C(=O)c1ccn2c(C3CC3)c(nc2c1)-c1cc2ccccc2n1CC1CC1 |r|
Nc1ccc(O)c(c1)C(O)=O
Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Nc1cncc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)c1
O=C(NCc1ccccc1)[C@@H](CCn1ccnn1)NC(=O)c1ccco1 |r|
O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)N1CCCCC1 |r|
O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1 |r|
O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1 |r|
O=C(OCc1ccccc1)[C@H](Cn1ccnc1)NC(=O)c1ccco1 |r|
O=C(\C=C\C1CC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\C1CCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\C1CCCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\C1CCCCC1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1c[nH]cn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ccc(=O)[nH]c1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ccc(OCCC2CCOCC2)nc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
O=C(\C=C\c1ccc(OCCN2CCOCC2)cc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
O=C(\C=C\c1ccc(OCCOCCOCC#C)cc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ccc(OCCOCCOCCOCC#N)cc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ccccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ccccn1)c1cnc2ccccc2c1-c1ccccc1
O=C(\C=C\c1cccnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cccnc1)c1c(-c2ccccn2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cccnc1)c1c(cc[nH]c1=O)-c1ccccc1
O=C(\C=C\c1cccnc1)c1cc2ccccc2[nH]c1=O
O=C(\C=C\c1cnccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(C2CC2)c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CC#C)c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CC2CC2)c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CCC#N)c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2cccnc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2ccncc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(-c2ccccc2)c2cnccc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(-c2cccnc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
O=C(\C=C\c1cncnc1)c1c(OCC#C)nc2ccccc2c1-c1ccccc1
O=C(\C=C\c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C(\C=C\c1ncccn1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
O=C1C(=O)c2ccccc2-c2ccccc12
O=C1NCC2=Nc3ccccc3NC(C12)c1ccccc1 |t:4|
OCCCOc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3cc(F)ccc3[nH]c2=O)cn1
OCCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1cncnc1
OCCn1c2ccccc2c(-c2ccccc2)c(C(=O)\C=C\c2cncnc2)c1=O
Oc1c(C=O)c2ccccc2c2ccccc12
Oc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1
S.COC(=O)[C@H](CCN1CCNCC1)NC(=O)c1ccco1 |r|
S.COC(=O)[C@H](CN1CCNCC1)NC(=O)C1CCCCC1 |r|
[#6]-[#7]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#6]-[#8])-[#8]-[#6@H]-1-[#8]-[#6@H]1-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](/[#7])-[#7])-[#8]-[#6@@H](-[#6])[C@]1([#8])[#6]=O
[#6]-[#8]-c1cc(cc2nc(-c3cc4ccc(nc4n3-[#6]-[#6]-3-[#6]-[#6]-3)-c3cccc(-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])c3-[#6])n(-[#6])c12)-[#6](=O)-[#7]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-1-[#6@@H]-2-[#7] |r,THB:48:47:45.44:42.41|
[H][C@@]12C(CCCCCn3c(cc4ccc(nc34)C(C)NC1=O)-c1nc3cc(cc(OC)c3n1C)C(=O)N1C[C@H](N)[C@]3([H])CC[C@@]1([H])C3)C2(F)F |r|
[H][C@@]12CC1CCCC(F)(F)Cn1c(cc3ccc(nc13)C(C)NC2=O)-c1nc2cc(cc(Cl)c2n1C1CC1)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
[H][C@@]12CC[C@@]([H])(C1)N(C(=O)c1cc(OC)c3n(C)c(nc3c1)-c1cc3ccc4nc3n1CCCCCc1ccccc1C(=O)NC4C)C([2H])([2H])[C@@H]2N |r|
[H][C@@]12CC[C@@]([H])(C1)N(C[C@@H]2N)C(=O)c1cc(F)c2n(C3CC3)c(nc2c1)-c1cc2ccc3nc2n1CCCCCc1nc(C)ccc1C(=O)NC3C |r|
[H][C@@]12C[C@@]1(F)CCCC(F)(F)Cn1c(cc3ccc(nc13)C(C)NC2=O)-c1nc2cc(cc(F)c2n1C1CC1)C(=O)N1CCC[C@@H](N)[C@H]1C |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)N1CCNCCS1(=O)=O |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)N1CCOC1=O |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)CCC(=O)NS(=O)(=O)c1ccccc1 |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)CCC(O)=O |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)N(C)Cc1cccnc1 |r|
[H][C@]12CC[C@]([H])([C@H](N)C1)N2C(=O)c1cc(OC)n2c(C)c(nc2c1)-c1cc2ccc(nc2n1CC1CC1)[C@@H](C)NC(=O)N1CCO[C@@H](C)C1 |r|