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284 SMILES Strings for 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2)

Compound NameSMILES String
BDBM13755 CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13756 CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13757 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13758 CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;18.43,-5.6,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13759 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13760 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
BDBM13761 COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)|
BDBM13762 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.09,-10.16,;-3.76,-12.47,)|
BDBM13763 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(=O)NS(C)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-3.76,-12.47,;-5.09,-10.16,;-6.43,-10.93,;-7.76,-10.16,;-7.52,-12.02,;-5.66,-12.26,)|
BDBM13764 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)-c1nnn[nH]1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-4.23,-12.39,;-5.77,-12.39,;-6.25,-10.93,;-5,-10.03,)|
BDBM13765 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.25,-11.33,;-3.76,-12.47,;-2.43,-11.7,)|
BDBM13766 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1cncs1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;.32,-10.16,;-1.11,-10.71,;-2.08,-9.52,;-1.25,-8.22,)|
BDBM13767 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccncc1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,)|
BDBM13768 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCC(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;.24,-10.16,)|
BDBM13769 CNC(=O)NC(=O)[C@@]12C[C@@H]3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 |r,wU:9.9,28.30,13.14,wD:7.6,TLB:12:7:29:10.11.13,10:9:30:12.11.13,THB:8:9:13:12.30.7,5:7:29:10.11.13,(-1.09,-7.85,;.24,-8.62,;1.58,-7.85,;2.91,-8.62,;1.58,-6.31,;2.91,-5.54,;2.51,-4.05,;4.24,-6.31,;3.21,-7.32,;4.72,-7.16,;6.94,-7.93,;7.61,-6.76,;6.26,-7.03,;7.61,-5.22,;8.94,-4.45,;10.27,-5.22,;10.27,-6.76,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;6.04,-4.32,;4.72,-5.12,;4.24,-5.07,)|
BDBM13770 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](CO)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:25:21:18:16.15.14,THB:16:17:20:25.15.14,24:17:14:25.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;3.21,-7.32,;6.26,-7.03,)|
BDBM13771 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](COCC(O)=O)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:29:21:18:16.15.14,THB:16:17:20:29.15.14,28:17:14:29.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;.24,-5.54,;-1.09,-6.31,;-2.43,-5.54,;-1.09,-7.85,;3.21,-7.32,;6.26,-7.03,)|
BDBM13772 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)|
BDBM13773 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NS(C)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.7,-6.31,;1.93,-4.98,;1.93,-7.64,;.39,-7.64,;-1.15,-7.64,;.39,-6.1,;.39,-9.18,)|
BDBM50174279 Clc1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174280 Cc1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174281 CCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50174285 CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174289 C(C1CC1)c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174294 COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50192671 CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCC(CCC1)C#N
BDBM50192672 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:22.23,wD:29.34,THB:31:29:24.26.25:22,21:22:30.29.28:24.26.25,(-3.36,-19.61,;-2.02,-18.86,;-.69,-19.63,;-.69,-18.09,;.65,-18.87,;1.98,-18.11,;1.99,-16.57,;.66,-15.8,;-.68,-16.56,;3.32,-15.81,;3.32,-14.28,;4.65,-13.51,;5.99,-14.29,;5.98,-15.82,;4.65,-16.59,;7.32,-13.52,;8.64,-12.74,;8.1,-14.85,;6.55,-12.19,;-3.36,-18.08,;-3.35,-16.55,;-4.82,-18.94,;-4.81,-20.64,;-5.39,-22.21,;-5.39,-24.54,;-7.42,-24.48,;-6.43,-23.78,;-6.43,-21.11,;-7.77,-21.11,;-8.29,-20.17,;-8.32,-22.14,;-9.78,-20.57,;-10.87,-19.48,;-10.19,-22.05,)|
BDBM50192673 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1CC(O)(C2)O3 |wD:14.14,TLB:23:21:14.15.16:18,13:14:20.23.21:16.17.18,13:14:18:20.21.24,THB:23:15:18:20.21.24,24:21:14:16.17.18,24:17:14:20.23.21,22:21:14.15.16:18,(18.01,-30.06,;16.68,-29.28,;15.33,-30.03,;18.02,-28.51,;18.02,-26.97,;19.35,-26.21,;19.36,-24.67,;18.02,-23.89,;18.02,-22.35,;16.68,-24.67,;16.69,-26.21,;15.35,-28.51,;15.35,-26.97,;14.02,-29.28,;12.69,-28.51,;11.21,-28.99,;11.27,-30.57,;10.28,-31.85,;11.61,-31.31,;11.54,-29.83,;10.2,-29.39,;8.82,-29.79,;7.27,-29.79,;9.78,-28.48,;8.87,-31.32,)|
BDBM50192674 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC12CCC(CC1)(CC2)C(N)=O
BDBM50192675 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2COCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(3.7,-30,;2.37,-29.22,;1.02,-29.98,;3.71,-28.46,;3.71,-26.92,;5.04,-26.15,;5.04,-24.61,;3.71,-23.84,;3.71,-22.3,;2.37,-24.62,;2.38,-26.15,;1.04,-28.45,;1.04,-26.91,;-.3,-29.22,;-1.62,-28.45,;-2.64,-29.26,;-2.52,-31.01,;-3.34,-31.95,;-1.89,-31.89,;-1.86,-29.93,;-3.64,-29.95,;-4.74,-30.73,;-4.34,-29.26,;-6.08,-29.95,;-6.08,-28.41,;-7.43,-30.73,)|
BDBM50192676 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:29.34,wD:22.23,TLB:21:22:26.25.24:30.29.28,31:29:26.25.24:22,(2.38,-31.91,;1.05,-31.13,;-.3,-31.88,;2.38,-30.36,;3.72,-31.14,;5.05,-30.38,;5.06,-28.84,;3.73,-28.07,;2.39,-28.83,;6.39,-28.08,;6.4,-26.54,;7.73,-25.78,;9.07,-26.55,;9.06,-28.09,;7.73,-28.86,;10.41,-25.79,;11.73,-25,;11.18,-27.12,;9.63,-24.45,;-.28,-30.36,;-.28,-28.82,;-1.62,-31.13,;-2.94,-30.36,;-3.96,-31.16,;-3.84,-32.92,;-4.66,-33.85,;-3.21,-33.8,;-3.19,-31.84,;-4.96,-31.86,;-6.07,-32.63,;-5.66,-31.16,;-7.4,-31.86,;-7.41,-30.31,;-8.75,-32.63,)|
BDBM50192677 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O
BDBM50192679 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(N)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(18.27,-20.26,;16.94,-19.49,;15.59,-20.24,;18.27,-18.72,;18.28,-17.18,;19.61,-16.41,;19.61,-14.87,;18.28,-14.1,;18.28,-12.56,;16.94,-14.88,;16.94,-16.41,;15.61,-18.72,;15.61,-17.18,;14.27,-19.48,;12.95,-18.72,;11.93,-19.52,;12.05,-21.27,;11.23,-22.21,;12.68,-22.15,;12.7,-20.2,;10.93,-20.21,;9.82,-20.99,;10.23,-19.52,;8.49,-20.21,;8.48,-18.67,;7.14,-20.99,)|
BDBM50192681 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CCCC(CCC1)C#N
BDBM50192682 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CCC1C[C@H](C2)C(O)=O |wU:22.23,wD:28.33,THB:30:28:22:24.25,(19.34,-4.03,;18.58,-5.37,;17.03,-5.37,;20.12,-5.32,;20.89,-6.66,;22.43,-6.66,;23.2,-5.32,;22.42,-3.99,;20.87,-3.99,;24.73,-5.31,;25.49,-3.98,;27.03,-3.97,;27.81,-5.31,;27.04,-6.64,;25.51,-6.65,;29.35,-5.3,;30.89,-5.27,;29.37,-6.84,;29.34,-3.76,;17.85,-6.73,;18.67,-8.04,;16.32,-6.79,;15.59,-8.14,;15.4,-9.69,;16.45,-10.99,;15.23,-10.33,;14.58,-9.03,;12.82,-9.07,;12.62,-10.63,;13.56,-9.78,;12.3,-12.13,;10.83,-12.61,;13.44,-13.17,)|
BDBM50192683 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:22.23,29.34,TLB:21:22:30.29.28:24.26.25,THB:31:29:24.26.25:22,(21.32,-19.45,;22.66,-18.69,;23.99,-19.47,;23.99,-17.92,;25.33,-18.71,;26.66,-17.94,;26.67,-16.41,;25.34,-15.63,;24,-16.4,;28,-15.64,;28,-14.11,;29.33,-13.34,;30.67,-14.12,;30.66,-15.66,;29.33,-16.42,;32.01,-13.35,;33.33,-12.57,;32.78,-14.68,;31.23,-12.02,;21.33,-17.92,;21.33,-16.38,;20.43,-18.42,;18.97,-17.59,;18.4,-19.16,;18.39,-21.49,;16.36,-21.43,;17.35,-20.73,;17.35,-18.05,;16.01,-18.06,;15.49,-17.12,;15.46,-19.08,;14,-17.52,;12.91,-16.43,;13.59,-19,)|
BDBM50192684 CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(N)=O |wD:15.15,22.26,TLB:14:15:23.22.21:17.19.18,THB:24:22:17.19.18:15,(16.24,-11.07,;17.59,-10.32,;18.92,-11.1,;18.92,-9.55,;18.92,-8.01,;17.59,-7.25,;17.59,-5.72,;18.92,-4.94,;20.26,-5.71,;20.25,-7.25,;18.92,-3.41,;18.92,-1.87,;16.26,-9.55,;16.26,-8.01,;15.36,-10.05,;13.9,-9.21,;13.33,-10.79,;13.32,-13.11,;11.29,-13.06,;12.28,-12.36,;12.28,-9.68,;10.94,-9.69,;10.42,-8.75,;10.39,-10.71,;8.93,-9.14,;7.84,-8.05,;8.52,-10.63,)|
BDBM50192685 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)|
BDBM50192686 CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CCC(CC1)(CC2)C(N)=O
BDBM50192785 CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)|
BDBM50192786 CC(C)(Oc1ccc(cn1)N1CCOCC1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:22.34,19.20,wD:24.25,26.29,TLB:18:19:31.22.23:25,THB:21:22:25:32.20.19,21:20:31.22.23:25,(23.97,-31.61,;22.64,-32.39,;21.31,-31.61,;23.97,-33.17,;25.31,-32.42,;26.63,-33.21,;27.97,-32.46,;27.99,-30.91,;26.66,-30.13,;25.32,-30.89,;29.32,-30.15,;30.64,-30.94,;31.97,-30.18,;31.99,-28.65,;30.67,-27.87,;29.32,-28.63,;21.3,-33.14,;21.28,-34.68,;19.97,-32.36,;18.69,-33.21,;18.68,-34.74,;17.67,-36.01,;16.26,-35.45,;16.26,-33.86,;17.29,-32.63,;15.95,-33.11,;15.96,-34.59,;14.62,-33.82,;13.28,-34.58,;11.94,-33.8,;13.27,-36.12,;14.76,-35.87,;17.28,-35.08,)|
BDBM50192787 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)|
BDBM50192788 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.58,-12.73,;24.26,-13.51,;22.93,-12.73,;25.58,-14.29,;26.93,-13.53,;28.25,-14.33,;29.59,-13.57,;29.61,-12.03,;30.95,-11.28,;28.27,-11.25,;26.94,-12.01,;22.92,-14.26,;22.9,-15.8,;21.59,-13.48,;20.31,-14.33,;20.3,-15.86,;19.28,-17.13,;17.88,-16.57,;17.87,-14.98,;18.91,-13.75,;17.56,-14.23,;17.57,-15.71,;16.38,-16.99,;18.9,-16.2,;16.23,-14.93,;14.82,-15.57,;13.78,-14.42,;12.25,-14.58,;14.56,-13.07,;16.07,-13.4,)|
BDBM50192789 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](Cc1nnn[nH]1)(C3)C2 |wU:17.31,14.14,wD:19.19,21.23,TLB:13:14:28.17.18:20,THB:16:17:20:29.15.14,16:15:28.17.18:20,(12.83,-4.34,;11.51,-5.13,;10.18,-4.35,;12.83,-5.91,;14.17,-5.15,;15.5,-5.95,;16.84,-5.19,;16.86,-3.65,;18.2,-2.89,;15.52,-2.87,;14.18,-3.63,;10.16,-5.88,;10.15,-7.42,;8.84,-5.1,;7.56,-5.95,;7.54,-7.48,;6.53,-8.75,;5.12,-8.19,;5.12,-6.6,;6.16,-5.37,;4.81,-5.85,;4.82,-7.33,;3.48,-6.56,;2.14,-7.33,;.74,-6.71,;-.29,-7.85,;.48,-9.18,;1.99,-8.86,;3.62,-8.61,;6.15,-7.82,)|
BDBM50192790 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO |wU:17.17,14.14,wD:19.19,21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(4.02,-11.24,;2.7,-12.02,;1.37,-11.25,;4.02,-12.81,;5.37,-12.05,;6.69,-12.85,;8.03,-12.09,;8.05,-10.55,;9.39,-9.79,;6.71,-9.77,;5.38,-10.52,;1.36,-12.78,;1.34,-14.32,;.03,-11.99,;-1.25,-12.84,;-1.27,-14.37,;-2.28,-15.65,;-3.69,-15.09,;-3.69,-13.5,;-2.65,-12.27,;-4,-12.74,;-3.99,-14.23,;-5.19,-15.51,;-2.66,-14.72,;-5.33,-13.45,;-6.67,-14.22,;-5.33,-11.91,;-6.66,-11.14,)|
BDBM50192791 CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(25.25,-26.6,;23.93,-27.38,;22.6,-26.61,;25.25,-28.16,;26.6,-27.41,;27.92,-28.2,;29.26,-27.45,;29.28,-25.91,;30.62,-25.15,;27.94,-25.12,;26.61,-25.88,;22.59,-28.14,;22.57,-29.68,;21.26,-27.35,;19.98,-28.2,;19.97,-29.73,;18.95,-31.01,;17.55,-30.44,;17.54,-28.86,;18.58,-27.62,;17.24,-28.1,;17.24,-29.59,;15.91,-28.81,;14.57,-29.58,;13.23,-28.8,;14.56,-31.11,;16.05,-30.86,;18.57,-30.08,)|
BDBM50192792 CC(C)(Oc1ccc(cn1)-n1cccn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:21.33,18.19,wD:23.24,25.28,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(23.88,-36.88,;22.55,-37.66,;21.22,-36.88,;23.88,-38.44,;25.22,-37.69,;26.54,-38.48,;27.88,-37.73,;27.9,-36.18,;26.57,-35.4,;25.23,-36.16,;29.24,-35.43,;30.63,-36.07,;31.67,-34.93,;30.91,-33.6,;29.4,-33.91,;21.21,-38.41,;21.2,-39.95,;19.89,-37.63,;18.6,-38.48,;18.59,-40.01,;17.58,-41.28,;16.17,-40.72,;16.17,-39.14,;17.21,-37.9,;15.86,-38.38,;15.87,-39.86,;14.53,-39.09,;13.19,-39.85,;11.86,-39.07,;13.19,-41.39,;14.67,-41.14,;17.2,-40.35,)|
BDBM50192793 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2 |wU:17.29,14.14,wD:19.19,21.23,TLB:13:14:27.17.18:20,THB:16:17:20:28.15.14,16:15:27.17.18:20,(4.12,-25.84,;2.8,-26.62,;1.47,-25.84,;4.12,-27.4,;5.46,-26.65,;6.79,-27.44,;8.13,-26.69,;8.15,-25.15,;9.49,-24.39,;6.81,-24.36,;5.47,-25.12,;1.46,-27.37,;1.44,-28.91,;.13,-26.59,;-1.15,-27.44,;-1.16,-28.97,;-2.18,-30.25,;-3.58,-29.68,;-3.59,-28.1,;-2.55,-26.86,;-3.9,-27.34,;-3.89,-28.82,;-5.23,-28.05,;-6.56,-28.81,;-7.89,-28.04,;-7.89,-26.5,;-9.23,-28.81,;-5.08,-30.1,;-2.56,-29.31,)|
BDBM50192794 CN1CCN(CC1)c1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@H]2C[C@](CC(N)=O)(C4)C3)nc1 |wU:21.32,18.18,wD:23.23,25.27,TLB:17:18:30.21.22:24,THB:20:21:24:31.19.18,20:19:30.21.22:24,(9.65,-35.24,;8.31,-36,;8.29,-37.53,;6.96,-38.29,;5.64,-37.5,;5.64,-35.97,;6.99,-35.22,;4.31,-38.26,;4.29,-39.8,;2.95,-40.56,;1.63,-39.76,;.29,-40.52,;-1.04,-39.73,;.29,-38.95,;-2.37,-38.96,;-2.38,-40.49,;-2.4,-42.03,;-3.7,-39.71,;-4.99,-40.56,;-5,-42.08,;-6.01,-43.36,;-7.42,-42.8,;-7.42,-41.21,;-6.38,-39.98,;-7.73,-40.46,;-7.72,-41.94,;-9.06,-41.16,;-10.4,-41.93,;-11.74,-41.15,;-10.4,-43.46,;-8.92,-43.22,;-6.39,-42.43,;1.64,-38.24,;2.98,-37.48,)|
BDBM50192795 CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:20:26.18.17,THB:16:15:20:26.18.17,16:17:20:27.15.14,(21.35,-50.44,;20.01,-51.2,;18.69,-50.43,;17.34,-51.18,;16.02,-50.39,;16.05,-48.85,;17.38,-48.1,;18.7,-48.88,;14.73,-48.06,;16.05,-47.28,;13.4,-47.29,;13.39,-48.82,;13.37,-50.36,;12.06,-48.04,;10.78,-48.89,;10.77,-50.41,;9.75,-51.69,;8.35,-51.13,;8.34,-49.54,;9.38,-48.31,;8.04,-48.79,;8.04,-50.27,;6.71,-49.49,;5.37,-50.26,;4.03,-49.48,;5.36,-51.8,;6.85,-51.55,;9.37,-50.76,)|
BDBM50192796 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)|
BDBM50192797 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ncc[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(3.46,-5.22,;2.14,-6,;.81,-5.23,;3.47,-6.79,;4.78,-5.98,;6.13,-6.71,;7.43,-5.9,;7.38,-4.36,;8.69,-3.54,;6.02,-3.63,;4.72,-4.45,;.79,-6.76,;.78,-8.3,;-.53,-5.97,;-1.81,-6.82,;-1.83,-8.35,;-2.84,-9.63,;-4.25,-9.07,;-4.25,-7.48,;-3.21,-6.24,;-4.56,-6.72,;-4.55,-8.21,;-5.75,-9.49,;-3.22,-8.7,;-5.89,-7.43,;-6.05,-5.9,;-7.57,-5.57,;-8.34,-6.91,;-7.3,-8.06,)|
BDBM50192798 CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(1.68,-44.14,;.36,-44.92,;-.98,-44.15,;-.99,-45.68,;-1,-47.22,;-2.31,-44.9,;-3.6,-45.75,;-3.61,-47.28,;-4.62,-48.55,;-6.03,-47.99,;-6.03,-46.4,;-4.99,-45.17,;-6.34,-45.65,;-6.33,-47.13,;-7.67,-46.35,;-9.01,-47.12,;-10.34,-46.34,;-9.01,-48.66,;-7.53,-48.41,;-5,-47.62,;1.67,-45.71,;1.65,-47.25,;2.97,-48.04,;4.31,-47.29,;4.33,-45.74,;3,-44.96,;5.64,-48.06,;6.96,-48.85,)|
BDBM50192799 CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(nc1)N1CCOCC1 |wU:9.19,6.5,wD:11.10,13.14,TLB:5:6:18.9.10:12,THB:8:9:12:19.7.6,8:7:18.9.10:12,(17.63,-42.22,;16.3,-43,;14.97,-42.23,;14.96,-43.76,;14.94,-45.3,;13.63,-42.97,;12.35,-43.82,;12.33,-45.35,;11.32,-46.63,;9.91,-46.07,;9.91,-44.48,;10.95,-43.24,;9.6,-43.72,;9.61,-45.21,;8.27,-44.43,;6.93,-45.2,;5.59,-44.42,;6.92,-46.73,;8.41,-46.49,;10.94,-45.7,;17.62,-43.79,;17.59,-45.33,;18.91,-46.12,;20.26,-45.36,;20.27,-43.81,;18.95,-43.03,;21.58,-46.14,;21.56,-47.67,;22.88,-48.45,;24.22,-47.7,;24.24,-46.16,;22.91,-45.37,)|
BDBM50192800 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1ccno1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(25.78,-5.8,;24.46,-6.58,;23.13,-5.81,;25.78,-7.37,;27.13,-6.61,;28.45,-7.41,;29.79,-6.65,;29.81,-5.11,;31.15,-4.35,;28.47,-4.33,;27.14,-5.08,;23.12,-7.34,;23.1,-8.88,;21.79,-6.55,;20.51,-7.4,;20.5,-8.93,;19.48,-10.21,;18.08,-9.64,;18.07,-8.06,;19.11,-6.82,;17.76,-7.3,;17.77,-8.79,;16.58,-10.06,;19.1,-9.28,;16.43,-8.01,;15.02,-8.64,;13.98,-7.49,;14.76,-6.15,;16.27,-6.48,)|
BDBM50192801 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(O)=O)(C3)C2 |wU:17.28,14.14,wD:19.19,21.23,TLB:13:14:26.17.18:20,THB:16:17:20:27.15.14,16:15:26.17.18:20,(2.87,-18.56,;1.55,-19.34,;.21,-18.57,;2.87,-20.12,;4.21,-19.37,;5.53,-20.16,;6.88,-19.41,;6.89,-17.87,;8.23,-17.11,;5.56,-17.08,;4.22,-17.84,;.2,-20.1,;.19,-21.64,;-1.12,-19.31,;-2.41,-20.16,;-2.42,-21.69,;-3.43,-22.97,;-4.84,-22.4,;-4.84,-20.82,;-3.8,-19.58,;-5.15,-20.06,;-5.14,-21.55,;-6.48,-20.77,;-7.81,-21.54,;-9.15,-20.76,;-7.82,-23.07,;-6.34,-22.82,;-3.81,-22.04,)|
BDBM50195286 NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-7.41,-1.52,;-6.63,-.19,;-7.39,1.14,;-5.09,-.2,;-6.29,-1.48,;-4.79,-1.06,;-3.38,-1.62,;-2.37,-.35,;-3.76,-.69,;-2.36,1.18,;-1.07,2.03,;.3,1.35,;.4,-.19,;1.58,2.21,;2.67,3.3,;1.97,4.67,;.44,4.43,;.21,2.9,;2.96,1.52,;3.05,-.01,;4.43,-.7,;5.71,.15,;5.62,1.69,;4.24,2.38,;7.09,-.54,;7.17,-2.07,;8.55,-2.76,;9.84,-1.92,;9.74,-.37,;8.36,.31,;11.21,-2.6,;12.54,-3.37,;10.43,-3.92,;11.97,-1.26,;-3.75,1.76,;-4.79,.53,;-5.1,1.28,)|
BDBM50195287 NC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(-4.78,-1.76,;-6.11,-.98,;-7.45,-1.74,;-6.1,.55,;-7.6,.13,;-6.41,1.41,;-6.41,2.89,;-5.07,3.37,;-6.11,2.14,;-3.67,2.79,;-2.39,3.64,;-1.01,2.96,;-.92,1.42,;.27,3.81,;-.13,5.3,;1.36,4.91,;1.09,2.5,;.35,1.14,;1.16,-.16,;2.7,-.12,;3.43,1.24,;2.61,2.55,;3.5,-1.42,;2.77,-2.77,;3.57,-4.08,;5.11,-4.04,;5.84,-2.69,;5.04,-1.37,;5.91,-5.36,;6.67,-6.68,;7.24,-4.57,;4.57,-6.11,;-3.68,1.26,;-5.08,.92,;-4.7,-.01,)|
BDBM50195288 OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)|
BDBM50195289 O[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,wD:1.0,3.2,TLB:4:3:22:6.5.7,4:5:2.3.21:22,THB:8:7:2.3.21:22,(1.12,-7.02,;2.66,-7.15,;1.37,-8.33,;2.9,-8.03,;4.25,-8.7,;5.36,-7.5,;3.94,-7.74,;5.49,-5.98,;6.83,-5.23,;8.16,-6.02,;8.13,-7.56,;9.5,-5.27,;10.29,-3.94,;8.75,-3.92,;10.82,-6.06,;10.79,-7.6,;12.11,-8.38,;13.46,-7.64,;13.48,-6.1,;12.16,-5.3,;4.14,-5.3,;3.01,-6.44,;2.76,-5.67,)|
BDBM50195290 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:25.27,29.36,TLB:21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(21.86,-6.75,;20.53,-7.53,;19.71,-6.23,;21.34,-8.84,;20.6,-10.2,;21.41,-11.5,;22.95,-11.46,;23.68,-10.1,;22.87,-8.78,;23.76,-12.76,;23.02,-14.12,;23.82,-15.42,;25.37,-15.38,;26.1,-14.03,;25.29,-12.71,;26.17,-16.7,;26.93,-18.02,;27.49,-15.91,;24.83,-17.45,;19.24,-8.38,;19.34,-9.92,;17.86,-7.7,;16.58,-8.55,;16.57,-10.08,;15.56,-11.35,;14.15,-10.79,;14.15,-9.2,;15.18,-7.97,;13.84,-8.45,;13.85,-9.93,;12.65,-11.21,;15.17,-10.42,;12.3,-9.92,;11.53,-11.25,;11.54,-8.59,)|
BDBM50195291 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:25.27,29.36,TLB:21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(-.43,-31.93,;.38,-33.24,;1.71,-32.46,;1.2,-34.54,;.46,-35.9,;1.27,-37.21,;2.81,-37.16,;3.54,-35.81,;2.72,-34.49,;3.61,-38.47,;2.88,-39.82,;3.68,-41.13,;5.22,-41.09,;5.95,-39.73,;5.15,-38.42,;6.02,-42.4,;6.78,-43.73,;7.35,-41.62,;4.68,-43.16,;-.9,-34.09,;-.81,-35.62,;-2.28,-33.4,;-3.56,-34.25,;-3.58,-35.78,;-4.59,-37.06,;-5.99,-36.49,;-6,-34.9,;-4.96,-33.67,;-6.31,-34.15,;-6.3,-35.64,;-7.5,-36.91,;-4.97,-36.13,;-7.84,-35.63,;-8.62,-36.96,;-8.6,-34.29,)|
BDBM50195292 NC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(11.52,-39.73,;12.3,-38.4,;11.54,-37.06,;13.84,-38.4,;12.64,-39.68,;14.14,-39.26,;15.55,-39.82,;16.56,-38.55,;15.17,-38.89,;16.57,-37.02,;17.86,-36.17,;19.23,-36.85,;19.33,-38.39,;20.52,-36,;20.11,-34.51,;21.61,-34.91,;21.33,-37.31,;20.59,-38.67,;21.4,-39.97,;22.94,-39.93,;23.67,-38.57,;22.86,-37.26,;23.74,-41.23,;23.01,-42.59,;23.81,-43.89,;25.35,-43.85,;26.09,-42.5,;25.28,-41.18,;26.16,-45.17,;26.91,-46.49,;27.48,-44.38,;24.81,-45.92,;15.18,-36.44,;14.14,-37.67,;13.83,-36.92,)|
BDBM50195293 CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |wU:22.23,wD:29.36,TLB:22:23:30:26.27.28,21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(20.75,4.68,;19.46,3.83,;19.56,2.29,;20.94,1.61,;21.03,.08,;22.4,-.6,;23.69,.24,;23.6,1.78,;22.22,2.47,;25.07,-.45,;25.15,-1.98,;26.53,-2.67,;27.82,-1.82,;27.72,-.28,;26.34,.4,;29.2,-2.51,;30.52,-3.27,;28.41,-3.83,;29.95,-1.17,;18.28,1.44,;18.37,-.1,;16.9,2.13,;15.62,1.28,;15.6,-.25,;14.59,-1.53,;13.19,-.96,;13.18,.63,;14.22,1.86,;12.87,1.38,;12.88,-.11,;11.68,-1.38,;14.21,-.6,;11.34,-.1,;10.56,-1.43,;10.58,1.24,)|
BDBM50195294 OC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(-7.99,-22.89,;-7.21,-21.56,;-7.98,-20.22,;-5.67,-21.56,;-6.87,-22.84,;-5.37,-22.42,;-3.96,-22.98,;-2.95,-21.71,;-4.35,-22.05,;-2.94,-20.18,;-1.66,-19.33,;-.28,-20.02,;-.18,-21.55,;1,-19.16,;.6,-17.67,;2.09,-18.07,;1.82,-20.47,;1.08,-21.83,;1.89,-23.13,;3.43,-23.09,;4.16,-21.73,;3.34,-20.42,;4.23,-24.39,;3.5,-25.75,;4.3,-27.05,;5.84,-27.01,;6.57,-25.66,;5.77,-24.34,;6.64,-28.33,;7.4,-29.65,;7.97,-27.54,;5.3,-29.08,;-4.34,-19.6,;-5.37,-20.83,;-5.68,-20.08,)|
BDBM50195295 OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-10.51,-26.96,;-9.74,-25.63,;-10.5,-24.3,;-8.2,-25.64,;-9.39,-26.91,;-7.89,-26.49,;-6.49,-27.06,;-5.48,-25.78,;-6.87,-26.13,;-5.47,-24.26,;-4.18,-23.41,;-2.81,-24.09,;-2.71,-25.63,;-1.53,-23.23,;-.44,-22.14,;-1.14,-20.76,;-2.67,-21.01,;-2.9,-22.54,;-.14,-23.92,;-.05,-25.45,;1.32,-26.14,;2.6,-25.29,;2.51,-23.75,;1.13,-23.06,;3.98,-25.98,;4.07,-27.51,;5.44,-28.2,;6.73,-27.35,;6.63,-25.81,;5.25,-25.13,;8.1,-28.04,;9.43,-28.8,;7.32,-29.36,;8.86,-26.7,;-6.86,-23.68,;-7.9,-24.9,;-8.21,-24.16,)|
BDBM50195297 O[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCCCC1)C(C3)C2 |wU:7.8,3.2,1.0,TLB:6:1:21:5.4.7,8:7:2.1.6:4,THB:0:1:21:5.4.7,0:1:4:21.20.7,22:1:4:21.20.7,22:20:2.1.6:4,(2.65,-13.05,;2.78,-11.53,;1.25,-11.83,;2.54,-10.65,;2.65,-9.17,;4.03,-8.8,;2.9,-9.94,;5.37,-9.48,;6.72,-8.73,;8.04,-9.52,;8.02,-11.06,;9.38,-8.77,;10.17,-7.44,;8.63,-7.42,;10.71,-9.56,;10.68,-11.1,;11.99,-11.88,;13.34,-11.14,;13.37,-9.6,;12.04,-8.8,;5.24,-11,;3.83,-11.24,;4.14,-12.2,)|
BDBM50195298 CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(2.47,-8.55,;1.18,-9.41,;1.28,-10.95,;2.66,-11.64,;2.75,-13.17,;4.13,-13.85,;5.41,-13,;5.31,-11.46,;6.8,-11.86,;4.91,-9.99,;3.94,-10.77,;0,-11.8,;.1,-13.34,;-1.38,-11.12,;-2.66,-11.97,;-2.67,-13.5,;-3.69,-14.78,;-5.09,-14.21,;-5.1,-12.62,;-4.06,-11.39,;-5.4,-11.87,;-5.4,-13.35,;-6.59,-14.63,;-4.07,-13.84,;-6.94,-13.35,;-7.71,-14.68,;-7.7,-12.01,)|
BDBM50195299 NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(11.1,-46.36,;11.88,-45.03,;11.11,-43.69,;13.42,-45.04,;12.22,-46.31,;13.72,-45.89,;15.12,-46.46,;16.14,-45.18,;14.74,-45.53,;16.15,-43.65,;17.43,-42.8,;18.81,-43.49,;18.9,-45.03,;20.09,-42.63,;21.18,-41.54,;20.08,-40.45,;18.99,-41.55,;21.47,-43.32,;21.56,-44.85,;22.93,-45.53,;24.22,-44.69,;24.12,-43.15,;22.74,-42.46,;25.59,-45.38,;25.68,-46.91,;27.05,-47.6,;28.34,-46.75,;28.24,-45.21,;26.87,-44.53,;29.72,-47.44,;31.04,-48.2,;28.94,-48.76,;30.47,-46.1,;14.75,-43.08,;13.72,-44.3,;13.41,-43.55,)|
BDBM50195300 OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(11.08,-20.04,;11.85,-18.71,;11.09,-17.37,;13.39,-18.71,;12.2,-19.99,;13.7,-19.57,;15.1,-20.13,;16.11,-18.86,;14.72,-19.2,;16.13,-17.33,;17.41,-16.48,;18.79,-17.17,;18.88,-18.7,;20.07,-16.31,;21.16,-15.21,;20.06,-14.13,;18.97,-15.22,;21.45,-17,;21.54,-18.53,;22.91,-19.21,;24.19,-18.36,;24.1,-16.83,;22.72,-16.14,;25.57,-19.05,;25.66,-20.59,;27.03,-21.28,;28.32,-20.43,;28.22,-18.88,;26.84,-18.2,;29.69,-21.12,;31.02,-21.88,;28.91,-22.44,;30.45,-19.77,;14.73,-16.75,;13.69,-17.98,;13.38,-17.23,)|
BDBM50195301 NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.52,-39.78,;-8.74,-38.45,;-9.51,-37.12,;-7.2,-38.46,;-8.4,-39.74,;-6.9,-39.32,;-5.49,-39.88,;-4.48,-38.6,;-5.87,-38.95,;-4.47,-37.08,;-3.18,-36.22,;-1.8,-36.91,;-1.71,-38.45,;-.52,-36.06,;-.62,-34.52,;.06,-33.14,;-1.48,-33.24,;.86,-36.74,;.95,-38.27,;2.32,-38.96,;3.61,-38.11,;3.51,-36.57,;2.13,-35.88,;4.99,-38.8,;5.07,-40.34,;6.45,-41.02,;7.73,-40.18,;7.64,-38.63,;6.26,-37.95,;9.11,-40.86,;10.44,-41.63,;8.33,-42.19,;9.87,-39.52,;-5.86,-36.5,;-6.9,-37.73,;-7.21,-36.98,)|
BDBM50195302 CCC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |wU:22.23,wD:29.36,TLB:22:23:30:26.27.28,21:22:30.25.26:28,THB:24:25:28:31.23.22,24:23:30.25.26:28,22:27:30:31.24.23,(22.63,-27.62,;21.34,-28.48,;21.44,-30.01,;22.82,-30.7,;22.91,-32.23,;24.28,-32.91,;25.57,-32.07,;25.48,-30.53,;24.1,-29.83,;26.95,-32.75,;27.03,-34.29,;28.41,-34.98,;29.7,-34.13,;29.6,-32.59,;28.22,-31.9,;31.08,-34.82,;32.4,-35.58,;30.29,-36.14,;31.83,-33.47,;20.16,-30.87,;20.25,-32.4,;18.78,-30.18,;17.5,-31.03,;17.49,-32.56,;16.47,-33.84,;15.07,-33.27,;15.06,-31.68,;16.1,-30.45,;14.75,-30.93,;14.76,-32.41,;13.57,-33.69,;16.09,-32.9,;13.22,-32.41,;12.45,-33.74,;12.46,-31.07,)|
BDBM50195303 CCC(N1CCCC(F)(F)C1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,14:19:22:23.16.15,(25.14,-3.72,;23.86,-4.58,;23.95,-6.12,;25.34,-6.81,;25.43,-8.34,;26.8,-9.02,;28.08,-8.17,;27.98,-6.63,;29.47,-7.03,;27.58,-5.16,;26.61,-5.94,;22.67,-6.97,;22.77,-8.51,;21.29,-6.29,;20.01,-7.14,;20,-8.67,;18.99,-9.95,;17.58,-9.38,;17.58,-7.79,;18.61,-6.56,;17.27,-7.04,;17.28,-8.52,;16.08,-9.8,;18.6,-9.01,;15.73,-8.52,;14.96,-9.85,;14.97,-7.18,)|
BDBM50195304 CC(C)(N1CCCCC1)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](O)(C3)C2 |wU:12.12,wD:15.23,19.21,TLB:11:12:21.15.16:18,THB:14:15:18:22.13.12,14:13:21.15.16:18,(1.81,3.48,;.48,2.7,;-.33,4.01,;1.3,1.4,;.56,.04,;1.37,-1.27,;2.91,-1.22,;3.64,.14,;2.82,1.45,;-.8,1.85,;-.71,.32,;-2.18,2.54,;-3.46,1.69,;-3.47,.16,;-4.49,-1.12,;-5.89,-.55,;-5.9,1.04,;-4.86,2.27,;-6.2,1.79,;-6.2,.3,;-7.74,.31,;-7.39,-.97,;-4.87,-.19,)|
BDBM50193787 CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(=N)NO)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(24.81,-1.12,;23.49,-.36,;23.94,1.11,;23.01,-1.82,;23.91,-3.07,;25.46,-3.04,;26.25,-4.36,;25.51,-5.7,;26.31,-7.02,;27.85,-6.99,;28.59,-5.63,;27.79,-4.31,;28.6,-8.31,;29.36,-9.64,;27.27,-9.07,;29.93,-7.54,;21.46,-1.82,;20.99,-.36,;19.53,.11,;18.21,-.47,;16.68,.12,;16.63,1.65,;18.07,2.18,;19.53,1.65,;18.54,2.83,;17.1,2.24,;15.69,2.87,;17.23,.7,;17.09,3.78,;15.76,4.55,;18.42,4.57,;18.41,6.1,;22.24,.55,;22.24,2.09,)|
BDBM50193788 CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)|
BDBM50193789 CC1(C)C(COc2ccc(cc2)-n2cncn2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(-.43,-1.62,;-1.75,-.86,;-1.31,.62,;-2.24,-2.32,;-1.33,-3.57,;.21,-3.53,;1.01,-4.85,;.26,-6.2,;1.06,-7.51,;2.6,-7.48,;3.34,-6.12,;2.54,-4.81,;3.39,-8.79,;4.92,-8.92,;5.27,-10.41,;3.96,-11.21,;2.8,-10.21,;-3.78,-2.32,;-4.25,-.86,;-5.72,-.38,;-7.03,-.97,;-8.56,-.38,;-8.62,1.16,;-7.17,1.68,;-5.71,1.15,;-6.71,2.33,;-8.15,1.74,;-9.56,2.37,;-8.02,.21,;-8.16,3.29,;-9.49,4.05,;-6.82,4.07,;-3.01,.05,;-3.01,1.6,)|
BDBM50193790 CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
BDBM50193791 CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=N)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(1.54,-18.24,;.22,-17.48,;.67,-16,;-.26,-18.94,;.64,-20.19,;2.19,-20.15,;2.98,-21.47,;2.24,-22.81,;3.04,-24.13,;4.58,-24.1,;5.32,-22.74,;4.52,-21.43,;5.33,-25.43,;6.09,-26.75,;4,-26.19,;6.66,-24.66,;-1.81,-18.94,;-2.28,-17.48,;-3.74,-17,;-5.06,-17.59,;-6.59,-17,;-6.64,-15.46,;-5.2,-14.94,;-3.74,-15.47,;-4.73,-14.29,;-6.17,-14.88,;-7.58,-14.25,;-6.04,-16.41,;-6.18,-13.33,;-7.51,-12.56,;-4.85,-12.56,;-1.03,-16.57,;-1.03,-15.02,)|
BDBM50193783 CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O
BDBM50193784 CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:19.20,wD:26.33,TLB:19:20:27:23.24.25,18:19:27.22.23:25,THB:21:22:25:28.20.19,21:20:27.22.23:25,19:24:27:28.21.20,(8.91,-1.06,;7.59,-.29,;8.04,1.18,;7.11,-1.75,;8.02,-3,;9.56,-2.97,;10.36,-4.29,;9.61,-5.63,;10.41,-6.95,;11.95,-6.92,;12.7,-5.56,;11.89,-4.25,;12.74,-8.23,;12.15,-9.65,;13.31,-10.65,;14.63,-9.85,;14.27,-8.36,;5.56,-1.75,;5.09,-.29,;3.63,.18,;2.31,-.4,;.78,.19,;.72,1.72,;2.17,2.25,;3.63,1.72,;2.64,2.9,;1.2,2.31,;-.22,2.94,;1.32,.78,;1.19,3.86,;-.15,4.62,;2.52,4.64,;6.34,.62,;6.34,2.16,)|
BDBM50193785 CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wD:23.27,16.16,TLB:15:16:20.19.18:24.23.22,THB:25:23:20.19.18:16,(-.74,-42.92,;-2.04,-42.11,;-1.54,-40.66,;-2.56,-43.56,;-1.7,-44.83,;-.16,-44.85,;.6,-46.19,;-.19,-47.51,;.57,-48.85,;2.11,-48.86,;2.89,-47.52,;2.13,-46.19,;2.88,-50.2,;3.64,-51.53,;-4.1,-43.51,;-4.52,-42.04,;-5.96,-41.51,;-7.01,-42.26,;-6.97,-44.01,;-7.78,-45.04,;-6.27,-44.78,;-6.27,-42.97,;-8.15,-42.95,;-8.06,-40.61,;-8.69,-42.18,;-9.54,-41.01,;-10.64,-39.93,;-9.94,-42.51,;-3.26,-41.17,;-3.21,-39.63,)|
BDBM50193786 CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O |wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(9.98,-18.19,;8.66,-17.43,;9.11,-15.96,;8.17,-18.89,;9.08,-20.14,;10.62,-20.1,;11.41,-21.42,;10.67,-22.77,;11.47,-24.09,;13.01,-24.05,;13.75,-22.69,;12.94,-21.38,;13.82,-25.36,;14.62,-26.68,;6.63,-18.89,;6.16,-17.43,;4.7,-16.96,;3.39,-17.54,;1.86,-16.96,;1.81,-15.42,;3.25,-14.9,;4.7,-15.43,;3.71,-14.25,;2.28,-14.84,;.87,-14.21,;2.4,-16.37,;2.27,-13.3,;.94,-12.53,;3.6,-12.51,;7.41,-16.52,;7.4,-14.98,)|
BDBM50193795 CC1(C)C(COc2ccc(cn2)C#N)CN(C1=O)C12CCC(CC1)(CC2)C(N)=O
BDBM50193796 CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)c2nnn[nH]2)C1=O |wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,(18.43,-20.09,;17.11,-19.33,;17.56,-17.86,;16.63,-20.79,;17.54,-22.04,;19.08,-22,;19.87,-23.32,;19.13,-24.66,;19.92,-25.98,;21.47,-25.95,;22.21,-24.59,;21.41,-23.28,;22.22,-27.27,;22.98,-28.6,;20.89,-28.03,;23.55,-26.51,;15.09,-20.79,;14.62,-19.33,;13.15,-18.85,;11.84,-19.44,;10.31,-18.85,;10.25,-17.31,;11.7,-16.79,;13.16,-17.32,;12.16,-16.14,;10.72,-16.73,;9.31,-16.1,;10.85,-18.26,;10.72,-15.19,;11.96,-14.27,;11.48,-12.8,;9.93,-12.82,;9.46,-14.29,;15.86,-18.42,;15.86,-16.88,)|
BDBM50197403 CC(C)(Oc1ccccc1C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:20.20,18.29,22.22,wU:17.17,wD:24.30,TLB:17:18:25:21.22.23,16:17:25.20.21:23,THB:19:18:25.20.21:23,17:22:25:26.19.18,TEB:19:20:23:26.18.17,21:22:26:25.20.19,(22.98,-26.47,;23.79,-27.78,;24.61,-29.08,;25.12,-27,;26.46,-27.76,;26.47,-29.29,;27.8,-30.05,;29.13,-29.27,;29.12,-27.73,;27.78,-26.97,;27.76,-25.43,;27.75,-23.89,;26.22,-25.45,;29.3,-25.43,;22.51,-28.63,;22.6,-30.16,;21.13,-27.94,;19.85,-28.79,;19.84,-30.32,;18.82,-31.6,;17.42,-31.03,;17.41,-29.44,;18.45,-28.21,;17.1,-28.69,;17.11,-30.18,;15.92,-31.45,;18.44,-30.67,;15.62,-29.77,;14.12,-29.36,;16.02,-28.28,;15.21,-31.25,)|
BDBM50197404 CC(C)(Oc1c(Cl)cc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.19,17.28,21.21,wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:17:24.19.20:22,16:21:24:25.18.17,TEB:18:19:22:25.17.16,20:21:25:24.19.18,(24.03,-36.5,;24.84,-37.8,;25.66,-39.11,;26.17,-37.02,;27.51,-37.78,;28.83,-37,;28.81,-35.46,;30.17,-37.75,;30.18,-39.3,;31.52,-40.06,;28.85,-40.08,;27.52,-39.32,;26.19,-40.1,;23.56,-38.65,;23.65,-40.19,;22.18,-37.97,;20.9,-38.82,;20.89,-40.35,;19.87,-41.62,;18.47,-41.06,;18.46,-39.47,;19.5,-38.24,;18.15,-38.72,;18.16,-40.2,;16.97,-41.48,;19.49,-40.69,;16.67,-39.79,;15.17,-39.39,;17.07,-38.31,;16.26,-41.28,)|
BDBM50197405 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(1.59,-26.17,;2.41,-27.48,;3.22,-28.79,;3.74,-26.7,;5.08,-27.46,;5.09,-29,;6.43,-29.76,;7.75,-28.98,;9.09,-29.74,;7.73,-27.43,;6.39,-26.68,;1.12,-28.34,;1.22,-29.87,;-.26,-27.64,;-1.54,-28.5,;-1.55,-30.03,;-2.56,-31.31,;-3.97,-30.74,;-3.98,-29.15,;-2.94,-27.92,;-4.28,-28.4,;-4.27,-29.89,;-5.47,-31.16,;-2.95,-30.37,;-5.77,-29.47,;-7.26,-29.07,;-5.37,-27.99,;-6.18,-30.95,)|
BDBM50197406 CN(C)S(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:8.8,10.10,27.29,wU:12.13,wD:6.5,TLB:9:10:7.8.28:29,THB:12:10:7:28.27.29,12:27:7:11.9.10,13:12:7.8.28:29,TEB:9:8:29:11.10.12,28:27:11:7.8.9,(-8.8,-20.75,;-7.71,-19.66,;-8.1,-18.17,;-6.21,-20.07,;-5.81,-18.58,;-6.62,-21.55,;-4.72,-20.48,;-5.92,-21.75,;-4.42,-21.33,;-3.01,-21.9,;-2,-20.62,;-3.39,-20.97,;-1.99,-19.09,;-.7,-18.24,;.68,-18.93,;.77,-20.47,;1.96,-18.08,;1.15,-16.77,;2.77,-19.39,;3.29,-17.3,;4.63,-18.06,;4.63,-19.59,;5.97,-20.35,;7.3,-19.57,;8.64,-20.33,;7.29,-18.03,;5.95,-17.27,;-3.38,-18.51,;-4.42,-19.74,;-4.73,-18.99,)|
BDBM50197407 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(=O)(=O)CCCN1CCOCC1 |w:20.20,18.19,16.27,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:18:21:24.16.15,17:16:23.18.19:21,15:20:23:24.17.16,TEB:19:18:24:20.21.15,19:20:24:23.18.17,(27.38,-7.62,;28.19,-8.93,;29.01,-10.24,;29.52,-8.15,;30.86,-8.91,;30.86,-10.44,;32.2,-11.21,;33.53,-10.42,;34.88,-11.19,;33.52,-8.88,;32.18,-8.13,;32.16,-6.59,;26.9,-9.78,;27.01,-11.32,;25.53,-9.09,;24.25,-9.94,;24.24,-11.47,;23.22,-12.75,;21.81,-12.18,;21.81,-10.59,;22.85,-9.37,;21.5,-9.85,;21.51,-11.33,;20.31,-12.61,;22.84,-11.82,;20.02,-10.92,;20.42,-9.43,;19.61,-12.41,;18.52,-10.51,;18.13,-9.02,;16.64,-8.62,;16.25,-7.13,;17.34,-6.05,;16.95,-4.57,;15.47,-4.16,;14.37,-5.25,;14.76,-6.74,)|
BDBM50197408 CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(.77,-7.03,;1.59,-8.34,;2.4,-9.65,;2.92,-7.56,;4.26,-8.32,;4.26,-9.86,;5.6,-10.62,;6.93,-9.84,;6.91,-8.29,;8.24,-7.5,;5.57,-7.54,;.3,-9.19,;.4,-10.73,;-1.07,-8.5,;-2.36,-9.36,;-2.37,-10.88,;-3.38,-12.16,;-4.79,-11.6,;-4.79,-10.01,;-3.75,-8.78,;-5.1,-9.26,;-5.09,-10.74,;-6.29,-12.02,;-3.77,-11.23,;-6.59,-10.33,;-8.08,-9.92,;-6.18,-8.84,;-7,-11.81,)|
BDBM50197409 CCS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(F)cc1Cl)C(C3)C2 |w:7.6,9.9,27.29,wU:11.12,wD:5.4,TLB:8:7:29:10.9.11,8:9:6.7.28:29,THB:11:9:6:28.27.29,11:27:6:10.8.9,12:11:6.7.28:29,TEB:28:27:10:6.7.8,(16.68,2.77,;17.08,1.28,;18.56,.87,;18.97,2.37,;18.16,-.61,;20.06,.46,;18.87,-.81,;20.37,-.39,;21.78,-.96,;22.79,.32,;21.39,-.02,;22.8,1.85,;24.08,2.7,;25.46,2.01,;25.56,.48,;26.74,2.86,;25.89,4.15,;27.6,1.58,;28.03,3.71,;29.4,3.03,;29.5,1.49,;30.87,.81,;32.15,1.66,;33.54,.97,;32.06,3.2,;30.68,3.88,;30.58,5.42,;21.4,2.43,;20.36,1.2,;20.05,1.95,)|
BDBM50197410 CC(C)(Oc1ccccc1OC(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:19.30,23.23,21.22,wU:18.18,wD:25.31,TLB:18:19:26:22.23.24,17:18:26.21.22:24,THB:20:21:24:27.19.18,20:19:26.21.22:24,18:23:26:27.20.19,TEB:22:21:27:23.24.18,22:23:27:26.21.20,(22.5,-25.65,;23.31,-26.95,;24.12,-28.26,;24.64,-26.17,;25.98,-26.93,;25.98,-28.47,;27.32,-29.23,;28.65,-28.45,;28.64,-26.9,;27.3,-26.15,;27.28,-24.61,;28.6,-23.82,;29.93,-23.04,;27.82,-22.5,;29.39,-25.15,;22.03,-27.8,;22.12,-29.34,;20.65,-27.12,;19.36,-27.97,;19.35,-29.5,;18.34,-30.77,;16.93,-30.21,;16.93,-28.62,;17.97,-27.39,;16.62,-27.87,;16.63,-29.35,;15.43,-30.63,;17.96,-29.84,;15.14,-28.94,;13.64,-28.54,;15.54,-27.46,;14.73,-30.43,)|
BDBM50197411 CC(C)(C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O)c1ccccc1 |w:9.15,7.17,11.10,wU:6.5,wD:13.18,TLB:6:7:14:10.11.12,5:6:14.9.10:12,THB:8:9:12:15.7.6,8:7:14.9.10:12,6:11:14:15.8.7,TEB:10:11:15:14.9.8,(2.3,-26.92,;3.11,-28.23,;3.93,-29.54,;1.83,-29.08,;1.92,-30.62,;.45,-28.39,;-.83,-29.24,;-.85,-30.77,;-1.86,-32.05,;-3.26,-31.48,;-3.27,-29.89,;-2.23,-28.66,;-3.58,-29.14,;-3.57,-30.63,;-4.77,-31.9,;-2.24,-31.12,;-5.06,-30.22,;-6.56,-29.81,;-4.66,-28.73,;-5.47,-31.7,;4.39,-27.38,;5.77,-28.07,;7.05,-27.22,;6.96,-25.68,;5.57,-24.99,;4.29,-25.85,)|
BDBM50197412 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(=O)(=O)CC(N)=O |w:16.27,20.20,18.19,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:18:21:24.16.15,17:16:23.18.19:21,15:20:23:24.17.16,TEB:19:18:24:20.21.15,19:20:24:23.18.17,(4.92,-5.99,;5.74,-7.3,;6.55,-8.6,;7.06,-6.51,;8.4,-7.28,;8.41,-8.82,;9.75,-9.57,;11.08,-8.8,;12.42,-9.55,;11.06,-7.25,;9.72,-6.49,;9.7,-4.95,;4.45,-8.15,;4.55,-9.68,;3.07,-7.46,;1.79,-8.31,;1.78,-9.84,;.76,-11.12,;-.65,-10.56,;-.65,-8.96,;.39,-7.73,;-.96,-8.21,;-.95,-9.7,;-2.15,-10.97,;.38,-10.18,;-2.45,-9.29,;-2.04,-7.8,;-2.85,-10.77,;-3.94,-8.88,;-4.33,-7.39,;-5.82,-6.98,;-3.24,-6.3,)|
BDBM50197413 CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(22.08,-16.67,;22.9,-17.98,;23.71,-19.29,;24.23,-17.2,;25.57,-17.96,;25.58,-19.5,;26.92,-20.26,;28.24,-19.48,;28.23,-17.93,;29.55,-17.15,;26.89,-17.18,;21.62,-18.83,;21.71,-20.37,;20.24,-18.14,;18.95,-19,;18.94,-20.53,;17.93,-21.81,;16.52,-21.24,;16.52,-19.64,;17.55,-18.41,;16.21,-18.9,;16.22,-20.38,;15.02,-21.66,;17.54,-20.87,;14.72,-19.97,;13.23,-19.56,;15.13,-18.49,;14.31,-21.45,)|
BDBM50197414 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.51,4.26,;3.34,2.95,;4.16,1.64,;4.67,3.73,;6.01,2.96,;6.02,1.43,;7.36,.67,;8.69,1.44,;10.03,.69,;8.67,3,;7.33,3.75,;7.32,5.3,;2.05,2.1,;2.14,.56,;.67,2.78,;-.62,1.93,;-.63,.4,;-1.64,-.88,;-3.05,-.32,;-3.06,1.28,;-2.02,2.51,;-3.37,2.03,;-3.36,.54,;-4.56,-.74,;-2.03,.05,;-4.86,.95,;-6.35,1.36,;-4.45,2.44,;-5.27,-.53,)|
BDBM50197416 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(2.86,-37.78,;3.68,-39.09,;4.49,-40.39,;5.01,-38.31,;6.35,-39.07,;6.35,-40.6,;7.69,-41.36,;9.02,-40.58,;10.36,-41.34,;9,-39.03,;7.67,-38.28,;7.65,-36.74,;2.4,-39.94,;2.49,-41.47,;1.02,-39.25,;-.27,-40.1,;-.28,-41.63,;-1.29,-42.91,;-2.7,-42.34,;-2.7,-40.75,;-1.66,-39.52,;-3.01,-40,;-3,-41.49,;-4.2,-42.76,;-1.67,-41.98,;-4.5,-41.07,;-5.99,-40.67,;-4.09,-39.59,;-4.9,-42.56,)|
BDBM50197417 CC(C)(Oc1ccc(Cl)cc1F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:18.18,16.27,20.20,wU:15.15,wD:22.28,TLB:15:16:23:19.20.21,14:15:23.18.19:21,THB:17:16:23.18.19:21,15:20:23:24.17.16,TEB:17:18:21:24.16.15,19:20:24:23.18.17,(21.46,-36.33,;22.28,-37.64,;23.09,-38.95,;23.61,-36.86,;24.94,-37.62,;24.95,-39.16,;26.29,-39.92,;27.62,-39.14,;28.96,-39.89,;27.6,-37.59,;26.26,-36.83,;26.24,-35.29,;20.99,-38.49,;21.09,-40.03,;19.61,-37.8,;18.33,-38.65,;18.32,-40.18,;17.31,-41.46,;15.9,-40.9,;15.9,-39.3,;16.93,-38.08,;15.59,-38.55,;15.6,-40.04,;14.4,-41.32,;16.92,-40.53,;14.1,-39.63,;12.61,-39.22,;14.51,-38.14,;13.69,-41.11,)|
BDBM50197418 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(2.61,-15.76,;3.42,-17.07,;4.24,-18.37,;4.75,-16.28,;6.09,-17.05,;6.1,-18.59,;7.44,-19.35,;8.77,-18.57,;8.76,-17.02,;7.41,-16.26,;7.39,-14.72,;2.14,-17.92,;2.23,-19.46,;.76,-17.23,;-.53,-18.08,;-.54,-19.61,;-1.56,-20.89,;-2.97,-20.33,;-2.97,-18.74,;-1.93,-17.5,;-3.28,-17.98,;-3.27,-19.47,;-4.47,-20.75,;-1.94,-19.96,;-4.77,-19.06,;-6.26,-18.66,;-4.36,-17.57,;-5.17,-20.55,)|
BDBM50197419 CNS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:7.7,9.9,26.28,wU:11.12,wD:5.4,TLB:8:9:6.7.27:28,THB:11:9:6:27.26.28,11:26:6:10.8.9,12:11:6.7.27:28,TEB:8:7:28:10.9.11,27:26:10:6.7.8,(17.16,-7.35,;17.55,-8.84,;19.05,-9.24,;19.45,-7.75,;18.64,-10.72,;20.54,-9.65,;19.35,-10.93,;20.85,-10.51,;22.25,-11.07,;23.27,-9.8,;21.87,-10.14,;23.28,-8.27,;24.56,-7.42,;25.94,-8.1,;26.03,-9.64,;27.22,-7.25,;26.41,-5.95,;28.04,-8.56,;28.55,-6.47,;29.89,-7.23,;29.9,-8.77,;31.23,-9.53,;32.56,-8.75,;33.9,-9.51,;32.55,-7.2,;31.21,-6.45,;21.88,-7.69,;20.84,-8.92,;20.53,-8.17,)|
BDBM50197399 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(20.57,1.97,;21.38,.67,;22.2,-.64,;22.71,1.45,;24.05,.69,;24.05,-.85,;25.39,-1.61,;26.72,-.83,;26.71,.72,;25.37,1.47,;25.35,3.01,;20.1,-.18,;20.19,-1.72,;18.72,.5,;17.44,-.35,;17.42,-1.88,;16.41,-3.16,;15.01,-2.59,;15,-1,;16.04,.23,;14.69,-.25,;14.7,-1.73,;13.5,-3.01,;16.03,-2.22,;13.21,-1.32,;11.71,-.92,;13.61,.16,;12.8,-2.81,)|
BDBM50197400 COc1cc(F)ccc1OC(C)(C)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:19.19,17.28,21.21,wU:16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:17:24.19.20:22,16:21:24:25.18.17,TEB:18:19:22:25.17.16,20:21:25:24.19.18,(6.98,-34.62,;5.66,-35.4,;5.67,-36.94,;7.01,-37.7,;7.03,-39.24,;8.37,-40,;5.7,-40.02,;4.36,-39.26,;4.36,-37.73,;3.02,-36.97,;1.69,-37.75,;.87,-36.44,;2.5,-39.06,;.4,-38.6,;.5,-40.14,;-.97,-37.91,;-2.26,-38.76,;-2.27,-40.29,;-3.28,-41.57,;-4.69,-41,;-4.69,-39.41,;-3.65,-38.18,;-5,-38.66,;-4.99,-40.15,;-6.19,-41.42,;-3.66,-40.64,;-6.49,-39.74,;-7.98,-39.33,;-6.08,-38.25,;-6.9,-41.22,)|
BDBM50197401 CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:16.23,14.25,18.18,wU:13.13,wD:20.26,TLB:13:14:21:17.18.19,12:13:21.16.17:19,THB:15:16:19:22.14.13,15:14:21.16.17:19,13:18:21:22.15.14,TEB:17:18:22:21.16.15,(1.42,4.21,;2.23,2.91,;3.05,1.6,;3.56,3.69,;4.9,2.93,;4.91,1.39,;6.24,.63,;7.57,1.41,;7.56,2.96,;6.22,3.71,;.95,2.06,;1.04,.52,;-.43,2.74,;-1.71,1.89,;-1.72,.36,;-2.74,-.92,;-4.14,-.35,;-4.15,1.24,;-3.11,2.47,;-4.46,1.99,;-4.45,.51,;-5.64,-.77,;-3.12,.02,;-5.94,.92,;-7.44,1.32,;-5.54,2.4,;-6.35,-.57,)|
BDBM50197402 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(13.59,-42.74,;14.41,-44.05,;15.22,-45.36,;15.73,-43.27,;17.07,-44.03,;17.08,-45.56,;18.42,-46.32,;19.75,-45.54,;21.09,-46.3,;19.73,-44,;18.39,-43.24,;13.12,-44.9,;13.22,-46.44,;11.74,-44.21,;10.46,-45.06,;10.45,-46.59,;9.43,-47.87,;8.03,-47.3,;8.02,-45.71,;9.06,-44.48,;7.72,-44.96,;7.72,-46.45,;6.53,-47.72,;9.05,-46.94,;6.23,-46.04,;4.74,-45.63,;6.64,-44.55,;5.82,-47.52,)|
BDBM50202102 CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,TLB:21:22:30:25.26.27,20:21:30.24.25:27,THB:23:24:27:31.22.21,23:22:30.24.25:27,21:26:30:31.23.22,(-1.15,-33.95,;-1.14,-35.49,;.19,-36.26,;.19,-37.8,;1.52,-38.56,;2.85,-37.8,;2.85,-36.25,;1.52,-35.48,;4.19,-38.57,;4.18,-40.11,;5.51,-40.88,;6.84,-40.11,;6.84,-38.56,;5.51,-37.8,;8.18,-40.88,;9.46,-41.72,;8.99,-39.57,;7.38,-42.19,;-2.48,-36.27,;-2.47,-37.81,;-3.81,-35.5,;-5.14,-36.28,;-5.24,-37.8,;-6.33,-39.02,;-7.7,-38.37,;-7.61,-36.79,;-6.5,-35.62,;-7.88,-36.01,;-7.95,-37.5,;-9.42,-37,;-9.22,-38.7,;-6.66,-38.06,)|
BDBM50202086 O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:4:3:30:6.5.7,4:5:2.3.29:30,THB:7:5:2:29.28.30,7:28:2:6.4.5,8:7:2.3.29:30,(1.8,-8.48,;3.15,-9.25,;1.93,-10.52,;3.44,-10.11,;4.84,-10.69,;5.87,-9.43,;4.47,-9.76,;5.9,-7.9,;7.19,-7.07,;8.56,-7.77,;8.64,-9.31,;9.85,-6.93,;11.23,-7.63,;11.25,-9.18,;12.59,-9.92,;13.92,-9.13,;13.88,-7.59,;12.53,-6.84,;15.23,-9.92,;15.2,-11.46,;16.52,-12.26,;17.87,-11.51,;17.89,-9.96,;16.57,-9.18,;19.19,-12.31,;20.51,-13.07,;18.4,-13.63,;19.98,-10.98,;4.51,-7.31,;3.45,-8.53,;3.16,-7.77,)|
BDBM50202087 CC(N1CCc2ccc3OCOc3c2CC1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.21,wD:26.30,TLB:19:20:28:23.24.25,18:19:28.22.23:25,THB:21:22:25:29.20.19,21:20:28.22.23:25,19:24:28:29.21.20,(.95,-44.73,;.96,-46.27,;2.31,-47.02,;2.21,-48.56,;3.35,-49.6,;4.88,-49.34,;5.66,-50.67,;7.21,-50.65,;7.96,-49.29,;9.45,-48.94,;9.58,-47.41,;8.17,-46.82,;7.17,-47.97,;5.63,-48,;5.05,-46.58,;3.56,-46.15,;-.36,-47.05,;-.34,-48.59,;-1.7,-46.3,;-2.98,-47.15,;-2.99,-48.68,;-3.99,-49.97,;-5.4,-49.41,;-5.41,-47.83,;-4.38,-46.58,;-5.73,-47.07,;-5.71,-48.55,;-7.26,-47.91,;-6.9,-49.84,;-4.38,-49.04,)|
BDBM50202089 O[C@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:7.8,1.0,TLB:6:1:29:4.5.7,8:7:2.1.30:29,0:1:29:4.5.7,THB:6:5:2.1.30:29,7:5:2:30.28.29,7:28:2:4.6.5,(-8.66,-21.61,;-8.65,-20.07,;-10.16,-20.47,;-8.95,-19.21,;-7.63,-19.71,;-6.23,-19.38,;-7.26,-20.65,;-6.2,-17.86,;-4.9,-17.02,;-3.53,-17.72,;-3.46,-19.26,;-2.24,-16.89,;-.87,-17.59,;-.84,-19.14,;.5,-19.88,;1.82,-19.08,;1.79,-17.54,;.44,-16.8,;3.14,-19.88,;3.11,-21.42,;4.42,-22.21,;5.77,-21.47,;5.8,-19.92,;4.48,-19.13,;7.09,-22.26,;8.42,-23.03,;6.31,-23.59,;7.88,-20.94,;-7.59,-17.26,;-8.94,-17.72,;-8.64,-18.49,)|
BDBM50202091 O=C(CN1CCN(CC1)c1ncccc1C#N)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(-3.45,-1.05,;-3.53,.49,;-2.23,1.33,;-.86,.63,;-.83,-.92,;.51,-1.66,;1.83,-.87,;1.8,.67,;.45,1.42,;3.15,-1.66,;4.49,-.92,;5.8,-1.7,;5.78,-3.25,;4.43,-4,;3.11,-3.2,;1.76,-3.94,;.42,-4.69,;-4.9,1.19,;-6.19,.36,;-6.22,-1.17,;-7.62,-1.5,;-8.94,-.99,;-10.15,-2.26,;-8.65,-1.85,;-7.25,-2.43,;-8.63,-.27,;-7.58,.95,;-8.93,.49,)|
BDBM50202092 FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@](F)(C4)C3)CC1 |r,wU:18.18,wD:25.27,TLB:18:19:27:22.23.24,17:18:27.21.22:24,THB:20:21:24:28.19.18,20:19:27.21.22:24,18:23:27:28.20.19,(7.79,-3.68,;6.48,-2.88,;5.67,-4.19,;7.31,-1.58,;5.18,-2.06,;3.82,-2.77,;2.52,-1.94,;2.59,-.41,;3.95,.31,;5.25,-.51,;1.29,.42,;-.05,-.34,;-1.37,.43,;-1.36,1.98,;-2.7,2.72,;-4.02,1.93,;-4,.39,;-5.37,2.68,;-6.69,1.89,;-6.77,.36,;-7.84,-.87,;-9.22,-.24,;-9.15,1.34,;-8.06,2.53,;-9.43,2.11,;-9.48,.63,;-10.85,1.23,;-10.74,-.6,;-8.18,.08,;-.04,2.74,;1.3,1.96,)|
BDBM50202093 CC(N1CC(C1)Oc1ccccc1F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:17.18,wD:24.27,TLB:17:18:26:21.22.23,16:17:26.20.21:23,THB:19:20:23:27.18.17,19:18:26.20.21:23,17:22:26:27.19.18,(24.76,-36.3,;24.78,-37.84,;26.12,-38.59,;26.53,-40.07,;28.01,-39.66,;27.6,-38.17,;29.34,-40.41,;30.67,-39.62,;32.01,-40.38,;33.33,-39.6,;33.31,-38.06,;31.96,-37.3,;30.64,-38.09,;29.3,-37.34,;23.45,-38.62,;23.47,-40.16,;22.11,-37.87,;20.83,-38.72,;20.83,-40.25,;19.82,-41.54,;18.42,-40.98,;18.4,-39.39,;19.43,-38.15,;18.09,-38.64,;18.11,-40.12,;16.55,-39.48,;16.92,-41.41,;19.44,-40.61,)|
BDBM50202094 O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)|
BDBM50202097 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.23,wD:29.32,TLB:22:23:31:26.27.28,21:22:31.25.26:28,THB:24:25:28:32.23.22,24:23:31.25.26:28,22:27:31:32.24.23,(20.61,-48.3,;19.75,-47.03,;18.89,-45.75,;21.02,-46.15,;22.39,-46.86,;23.68,-46.03,;23.61,-44.49,;22.24,-43.79,;20.94,-44.62,;24.94,-43.71,;26.27,-44.47,;27.6,-43.69,;27.58,-42.15,;26.23,-41.39,;24.91,-42.18,;28.91,-41.36,;30.21,-40.56,;29.7,-42.68,;28.12,-40.04,;18.46,-47.89,;18.49,-49.43,;17.12,-47.14,;15.8,-47.93,;15.72,-49.46,;14.65,-50.69,;13.27,-50.06,;13.33,-48.48,;14.43,-47.29,;13.06,-47.71,;13,-49.19,;11.69,-48.37,;11.75,-50.41,;14.31,-49.74,)|
BDBM50202098 OC12CC3CC(CC(C3)C1NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2 |TLB:10:9:4.5.30:2,THB:6:5:2:8.7.9,6:7:4.5.30:2,9:7:4:30.1.2,9:1:4:8.6.7,0:1:4:8.6.7|
BDBM50202099 FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)N[C@H]2C3CC4CC2C[C@@](F)(C4)C3)CC1 |r,wU:18.18,25.27,TLB:28:25:22:20.19.18,18:19:27:24.23.22,17:18:27.25.24:22,26:25:22:20.19.18,THB:28:19:27.25.24:22,18:23:27:20.28.19,(27.71,-3.18,;26.4,-2.38,;25.59,-3.69,;27.23,-1.08,;25.1,-1.55,;23.74,-2.27,;22.44,-1.44,;22.51,.1,;23.87,.81,;25.16,-.01,;21.21,.92,;19.87,.16,;18.55,.93,;18.56,2.48,;17.22,3.23,;15.9,2.44,;15.92,.9,;14.55,3.18,;13.23,2.39,;13.15,.87,;11.74,.58,;10.43,1.13,;10.49,2.61,;11.86,3.03,;10.77,1.84,;10.7,.26,;10.64,-1.27,;9.18,-.09,;12.08,-.37,;19.88,3.24,;21.22,2.46,)|
BDBM50239276 Cn1c(nnc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:9:10:8.7.13:14,THB:9:8:10.15.11:14,11:10:7:13.12.14,11:12:9.10.15:7|
BDBM50239401 C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
BDBM50239407 Clc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50260822 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(c1)-c1ccccc1
BDBM50260823 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(F)cc1
BDBM50260824 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
BDBM50260825 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
BDBM50260878 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
BDBM50260879 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-n1ccnc1
BDBM50260881 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-n1cccc1
BDBM50260882 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1nccs1
BDBM50260745 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
BDBM50260908 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
BDBM50260909 Cc1nc2ccccc2n1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260910 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
BDBM50260911 CCSc1ccccc1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260704 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1Cl
BDBM50260705 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1
BDBM50260706 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
BDBM50260707 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1F
BDBM50260708 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(F)c1
BDBM50260746 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F
BDBM50260747 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(I)cc1
BDBM50260748 Cc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50260749 COc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50260936 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
BDBM50260937 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccc(cc1)S(C)(=O)=O
BDBM50260938 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1
BDBM50260939 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccc(c1)S(C)(=O)=O
BDBM50260964 Cc1nccn1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260965 Cc1cn(c(C)n1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260966 Cc1cn(c(n1)C1CC1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260967 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F
BDBM50261007 CSc1nccn1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50261008 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1S(C)(=O)=O
BDBM50261009 CCS(=O)(=O)c1ccc(cc1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50261010 CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50261050 CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260623 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1
BDBM50260624 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)cc1
BDBM50260625 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1O
BDBM50260666 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(O)c1
BDBM50260667 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(OC(F)(F)F)cc1
BDBM50260668 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1OC(F)(F)F
BDBM50260669 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(OC(F)(F)F)c1
BDBM50260670 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50260793 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
BDBM50260794 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)c(F)c1
BDBM50260795 COc1ccc(cc1F)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50260796 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(OC2CC2)cc1
BDBM50260797 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1
BDBM50247012 CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18|
BDBM50297908 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCCCC1
BDBM50297909 CN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50297910 CCCN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50297911 CCCCN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50297912 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:22.23.28:29,THB:24:23:29:30.25.26,26:25:22:28.27.29,26:27:22:30.24.25|
BDBM50340371 CCS(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340372 CC(C)S(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340373 Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccccc3)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340374 CCCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340375 Cn1c(nnc1C12CCC(CCS(=O)(=O)C(C)(C)C)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340376 Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccc(F)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340377 Cn1c(nnc1C12CCC(CCS(=O)(=O)C(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340378 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340379 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2Cl)n1C
BDBM50340380 CCCS(=O)(=O)NCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340381 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2Br)n1C
BDBM50340382 Cn1c(nnc1C12CCC(CCS(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340383 CC(O)CCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50340384 CCS(=O)(=O)NCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340385 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C)n1C
BDBM50340386 CCS(=O)(=O)CC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340387 Cn1c(nnc1C12CCC(CNS(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340388 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2F)n1C
BDBM50340389 Cn1c(nnc1C12CCC(COc3ccc(Cl)cc3)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340390 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2cccc(Cl)c2)n1C
BDBM50340391 CC(F)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340392 Cn1c(nnc1C12CCC(CCS(=O)(=O)CC(F)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340393 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccc(Cl)cc2)n1C
BDBM50340394 CC(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340395 COCCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340396 CC(O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340397 Cn1c(nnc1C12CCC(CCCC(C)(F)F)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340398 CCOCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340399 Cn1c(nnc1C12CCC(COc3ccc(cc3)S(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F
BDBM50340400 CCSCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340401 CCS(=O)(=O)CCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340402 CCS(=O)(=O)CCCCC12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
BDBM50340403 CCS(=O)(=O)CCC12CCC(CC1)(CC2)c1nnc(-c2ccc(O)cc2Cl)n1C
BDBM50340792 CC(=O)Nc1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50340793 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1
BDBM50340794 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cccs2)cc1
BDBM50340795 Cc1cc(C(=O)Nc2ccc(cc2)-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(C)o1
BDBM50340796 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2ccno2)cc1
BDBM50340797 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccon1
BDBM50340799 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cccnc1
BDBM50340800 COc1cc(ccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1)-c1cccnc1
BDBM50340801 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1O)-c1cccnc1
BDBM50340802 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1F)-c1cnccn1
BDBM50340803 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1OC(F)F)-c1cnccn1
BDBM50340804 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1C(N)=O)-c1cnccn1
BDBM50340805 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1C(N)=O)C(N)=O
BDBM50340807 CC(=O)Nc1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50340808 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2cnccn2)cc1Cl
BDBM50340809 C1C2CC3CC1CC(C2)(C3)c1nnc2CCCCCCn12 |TLB:4:3:0.5.6:8,0:5:1.8.2:9,0:1:5.6.4:9,THB:4:5:8:2.3.9|
BDBM50340810 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
BDBM50340811 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(N)=O
BDBM50340812 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1
BDBM50340813 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(N)nc1
BDBM50340814 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnc(=O)[nH]c1
BDBM50340815 COc1ncc(-c2ccc(cc2)-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(OC)n1
BDBM50340816 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnccn1
BDBM50340817 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cc(=O)[nH]cn1
BDBM50340818 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(Cl)nn1
BDBM50340819 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(N)nn1
BDBM50340820 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnoc1
BDBM50340821 Cc1noc(C)c1-c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50340822 CCNC(=O)c1ccc(cc1)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50340823 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC(C)(C)C
BDBM50340824 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC1CC1
BDBM50340825 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)NC1CCC1
BDBM50340826 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)N1CCC1
BDBM50340827 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)N1CCCC1
BDBM50340828 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50340829 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)C(O)=O
BDBM50340830 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)C(N)=O
BDBM50382819 Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
BDBM50382820 CN(C1CCCCCC1)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
BDBM50382822 CN(C1C2CC3CC(C2)CC1C3)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1 |TLB:1:2:4:8.6.7,THB:6:5:2:8.7.9,6:7:4.5.11:2,9:7:4:11.10.2,9:10:4:8.6.7,(27.44,-30.3,;27.44,-31.84,;28.77,-32.61,;28.78,-34.1,;27.59,-35.37,;29.08,-34.95,;30.49,-35.52,;31.5,-34.24,;30.1,-34.59,;31.52,-32.71,;30.11,-32.13,;29.07,-33.37,;26.11,-32.61,;26.1,-34.15,;24.77,-31.84,;23.44,-32.61,;22.1,-31.83,;22.11,-30.29,;20.78,-29.52,;19.44,-30.29,;19.44,-31.84,;20.77,-32.61,;18.1,-32.6,;16.77,-31.83,;15.44,-32.61,;14.1,-31.84,;14.1,-30.29,;12.77,-29.52,;15.43,-29.52,;16.77,-30.28,;18.1,-29.51,;17.32,-28.17,;18.86,-28.17,;23.44,-29.52,;24.77,-30.29,)|
BDBM50377885 C1CC1(c1nnc2CCCCCCn12)c1ccccc1
BDBM50377864 FC(F)(F)c1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50377865 Cc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50377866 Cc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50377867 Fc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50377868 Fc1cccc(c1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50377869 C1CC(C1)(c1nnc2CCCCCCn12)c1ccccc1
BDBM50377870 Cc1ccc(cc1)C1(CCCC1)c1nnc2CCCCCCn12
BDBM50377871 Oc1cccc(c1)C1(CCCC1)c1nnc2CCCCCCn12
BDBM50377873 Fc1ccc(cc1)C1(CCCC1)c1nnc2CCCCCCn12
BDBM50377874 C1CCC(C1)(c1nnc2CCCCCCn12)c1ccccc1
BDBM50377875 Cc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
BDBM50377876 Clc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
BDBM50377877 C1CCC(CC1)(c1nnc2CCCCCCn12)c1ccccc1
BDBM50377878 Cc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
BDBM50377879 FC(F)(F)c1ccccc1C1(CCC1)c1nnc2CCCCCCn12
BDBM50377880 Cc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
BDBM50377881 Fc1ccccc1C1(CCC1)c1nnc2CCCCCCn12
BDBM50377882 Cc1cccc(c1)C1(CCCC1)c1nnc2CCCCCCn12
BDBM50377883 Fc1ccccc1C1(CCCC1)c1nnc2CCCCCCn12
BDBM50377884 Clc1ccc(c(Cl)c1)C1(CC1)c1nnc2CCCCCCn12
BDBM50377886 Clc1ccc(cc1)C1(CC1)c1nnc2CCCCCCn12
BDBM50377887 F[C@H]1C[C@](C1)(c1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 |wD:3.5,1.0,(11.81,-32.18,;11.81,-30.64,;12.91,-29.55,;11.82,-28.46,;10.73,-29.54,;13.16,-27.66,;13.56,-26.18,;15.11,-26.11,;15.65,-27.55,;17.13,-27.96,;18.21,-29.06,;18.62,-27.57,;14.44,-28.51,;14.52,-30.05,;13.81,-31.42,;15.35,-31.35,;10.5,-27.69,;10.49,-26.15,;9.15,-25.39,;7.82,-26.17,;6.48,-25.42,;7.84,-27.72,;9.18,-28.47,)|
BDBM50377888 F[C@H]1C[C@@](C1)(c1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 |wU:1.0,wD:3.5,(-4.11,-32.93,;-4.11,-31.39,;-5.2,-30.29,;-4.1,-29.2,;-3.01,-30.3,;-2.76,-28.41,;-2.36,-26.93,;-.81,-26.86,;-.27,-28.3,;1.21,-28.7,;2.29,-29.8,;2.7,-28.32,;-1.48,-29.26,;-1.4,-30.8,;-2.11,-32.16,;-.58,-32.09,;-5.43,-28.43,;-5.43,-26.89,;-6.77,-26.14,;-8.1,-26.92,;-9.44,-26.16,;-8.08,-28.47,;-6.74,-29.22,)|
BDBM50377889 FC1(F)CC(C1)(c1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1
BDBM50377890 Fc1ccc(cc1)C1(CCCCC1)c1nnc2CCCCCCn12
BDBM50370742 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O |r|
BDBM50384886 C[C@H](CC[C@H](O)C(C)=C)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C)C(O)=O |r|
BDBM50384887 C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(O)=O |r|
BDBM50436974 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC4=C)CC[C@H]12 |r|
BDBM50436975 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3)C(O)=O |r|
BDBM50436976 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12 |r|
BDBM50436986 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O |r|
BDBM50080413 [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O)OC |r|
BDBM50080410 [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r,c:2|
BDBM50080412 [H][C@@]12[C@H](O)CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2OC(C)=O |r|
BDBM50080411 [H][C@@]12C=CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O |r,c:2|
BDBM50080424 [H][C@@]12[C@@H](CC(=O)[C@@]1(C)[C@]1(C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H]2O)OC |r|