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3256 SMILES Strings for 11-beta-hydroxysteroid dehydrogenase 1

Compound NameSMILES String
BDBM13752 C[C@H](NC1=NC(=O)C(C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
BDBM50445584 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1cccc(c1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(56.75,-15.02,;55.46,-15.88,;55.44,-17.41,;54.04,-17.76,;52.72,-17.26,;52.71,-15.78,;54.05,-15.29,;53.01,-16.53,;53.02,-18.12,;54.43,-18.69,;51.52,-18.54,;50.18,-17.74,;48.83,-18.49,;47.34,-18.07,;46.48,-19.35,;47.43,-20.57,;48.88,-20.03,;51.51,-20.08,;50.17,-20.84,;50.16,-22.37,;51.48,-23.15,;52.82,-22.38,;52.83,-20.85,;54.16,-23.16,;54.15,-24.7,;55.48,-25.48,;56.83,-24.71,;56.83,-23.16,;55.49,-22.39,)|
BDBM50445585 OC12CC3CC(O)(CC(C1)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1)C2 |TLB:29:1:10:7.5.4,29:5:10:2.9.1,11:10:2.9.1:7.5.4,11:10:4:2.1.29,0:1:10.8.7:4,THB:9:8:4:2.1.29,9:1:10.8.7:4,17:10:2.9.1:7.5.4,17:10:4:2.1.29,6:5:10:2.9.1,(9.39,-13.86,;7.85,-13.86,;6.45,-14.21,;5.13,-13.72,;5.12,-12.23,;6.46,-11.75,;6.45,-10.2,;5.42,-12.99,;5.42,-14.58,;6.84,-15.15,;3.93,-15,;2.59,-14.2,;1.24,-14.95,;-.26,-14.52,;-1.12,-15.81,;-.17,-17.02,;1.29,-16.49,;3.92,-16.54,;2.58,-17.29,;2.57,-18.83,;3.89,-19.61,;5.23,-18.84,;5.24,-17.31,;3.89,-21.15,;2.54,-21.91,;2.53,-23.45,;3.87,-24.24,;5.21,-23.46,;5.22,-21.92,;7.87,-12.33,)|
BDBM50445586 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(19.38,-14.73,;18.08,-15.58,;18.06,-17.13,;16.65,-17.48,;15.32,-16.98,;15.31,-15.48,;16.66,-15,;15.61,-16.25,;15.62,-17.85,;17.05,-18.42,;14.11,-18.27,;12.76,-17.46,;11.41,-18.22,;9.91,-17.79,;9.04,-19.08,;10,-20.31,;11.46,-19.77,;14.1,-19.82,;15.43,-20.59,;15.42,-22.13,;16.75,-22.9,;18.08,-22.14,;18.08,-20.59,;16.75,-19.82,)|
BDBM50445587 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(nc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(76.05,-38.4,;74.76,-39.26,;74.74,-40.79,;73.34,-41.14,;72.02,-40.65,;72.01,-39.16,;73.35,-38.68,;72.31,-39.92,;72.31,-41.5,;73.73,-42.07,;70.82,-41.93,;69.48,-41.12,;68.13,-41.88,;66.64,-41.45,;65.78,-42.73,;66.73,-43.95,;68.18,-43.41,;70.81,-43.46,;69.47,-44.22,;69.46,-45.75,;70.78,-46.53,;72.12,-45.76,;72.13,-44.23,;70.78,-48.07,;69.43,-48.84,;69.42,-50.38,;70.76,-51.16,;72.11,-50.39,;72.11,-48.85,)|
BDBM50445588 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)Cc1ccc(cc1)-c1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(31.57,-14.14,;30.28,-14.99,;30.26,-16.53,;28.85,-16.88,;27.53,-16.38,;27.52,-14.89,;28.86,-14.41,;27.82,-15.65,;27.83,-17.24,;29.25,-17.81,;26.33,-17.67,;24.98,-16.86,;23.63,-17.62,;22.14,-17.19,;21.28,-18.47,;22.24,-19.69,;23.69,-19.16,;26.32,-19.21,;27.64,-19.98,;27.62,-21.5,;28.95,-22.27,;30.28,-21.51,;30.28,-19.98,;28.96,-19.21,;31.61,-22.28,;31.6,-23.83,;32.94,-24.61,;34.28,-23.84,;34.28,-22.28,;32.95,-21.51,)|
BDBM50445589 Clc1cccc(CC2(Cc3nnn[nH]3)C3CC4CC(C3)CC2C4)c1 |TLB:22:21:19:15.16.17,6:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,6:7:15.22.16:20.18.19,8:7:19:15.16.17,(22.9,-6.39,;21.55,-7.16,;21.55,-8.71,;20.22,-9.48,;18.89,-8.7,;18.9,-7.17,;17.57,-6.39,;17.58,-4.84,;16.23,-4.04,;14.88,-4.79,;14.93,-6.34,;13.47,-6.88,;12.51,-5.66,;13.38,-4.36,;18.79,-3.56,;20.12,-4.05,;21.53,-3.7,;21.55,-2.16,;20.13,-1.57,;18.78,-2.06,;19.08,-2.82,;19.09,-4.42,;20.52,-4.99,;20.22,-6.4,)|
BDBM50445565 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(11.94,-22.46,;10.65,-23.31,;10.63,-24.84,;9.23,-25.19,;7.91,-24.7,;7.9,-23.21,;9.25,-22.73,;8.2,-23.97,;8.21,-25.55,;9.63,-26.12,;6.71,-25.98,;5.37,-25.17,;4.02,-25.93,;2.53,-25.5,;1.67,-26.78,;2.63,-28,;4.08,-27.47,;6.7,-27.51,;5.36,-28.27,;5.35,-29.8,;6.68,-30.58,;8.02,-29.81,;8.02,-28.28,;6.67,-32.12,;5.33,-32.89,;5.32,-34.43,;6.65,-35.21,;6.65,-36.76,;8,-34.44,;8,-32.9,)|
BDBM50445566 COc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:24:23:14.25.26:28,11:14:22.24.23:26.27.28,15:14:28:22.23.29,THB:30:29:14.25.26:28,24:25:28:22.23.29,29:23:14:26.27.28,29:27:14:22.24.23,11:14:28:22.23.29,15:14:22.24.23:26.27.28,(5.06,-52.22,;6.4,-51.45,;6.4,-49.91,;5.07,-49.13,;5.08,-47.59,;6.42,-46.82,;7.75,-47.59,;7.75,-49.13,;6.43,-45.28,;5.1,-44.5,;5.11,-42.97,;6.45,-42.21,;7.77,-42.98,;7.77,-44.51,;6.46,-40.67,;5.12,-39.87,;3.77,-40.62,;2.28,-40.2,;1.42,-41.48,;2.38,-42.7,;3.83,-42.16,;7.66,-39.39,;8.98,-39.89,;10.38,-39.54,;9.37,-40.82,;7.96,-40.25,;7.95,-38.67,;8.99,-37.43,;7.65,-37.91,;10.4,-38.01,;11.69,-37.16,)|
BDBM50445567 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(68.53,-28.08,;67.25,-28.93,;67.23,-30.46,;65.83,-30.81,;64.5,-30.32,;64.5,-28.83,;65.84,-28.35,;64.8,-29.59,;64.8,-31.18,;66.22,-31.75,;63.3,-31.6,;61.96,-30.8,;60.62,-31.55,;59.13,-31.12,;58.27,-32.41,;59.22,-33.62,;60.67,-33.09,;63.29,-33.14,;61.95,-33.89,;61.94,-35.43,;63.27,-36.21,;64.61,-35.44,;64.61,-33.91,;63.27,-37.75,;61.92,-38.51,;61.91,-40.05,;63.25,-40.83,;64.59,-40.06,;64.59,-38.52,;65.93,-40.83,;65.93,-42.38,;67.27,-40.06,;67.26,-41.6,)|
BDBM50445568 OC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:15:14:6:4.3.2,17:7:4.15.3:16.1.6,17:7:6:4.3.2,0:1:7:4.15.3,THB:15:3:7.14.16:6,2:3:7:16.1.6,2:1:7:4.15.3,8:7:4.15.3:16.1.6,8:7:6:4.3.2,(41.37,2.14,;41.38,.6,;42.79,.02,;42.77,-1.52,;41.37,-1.87,;40.05,-1.38,;40.04,.11,;38.85,-2.66,;37.51,-1.86,;36.16,-2.61,;34.68,-2.18,;33.82,-3.46,;34.77,-4.68,;36.22,-4.15,;40.35,-2.24,;41.76,-2.8,;40.34,-.65,;38.84,-4.2,;37.5,-4.95,;37.49,-6.49,;38.82,-7.26,;40.16,-6.5,;40.16,-4.96,;38.81,-8.8,;37.47,-9.57,;37.46,-11.11,;38.79,-11.89,;40.14,-11.12,;40.14,-9.58,)|
BDBM50445569 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccc(F)c1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(24.06,-26.88,;22.77,-27.73,;22.75,-29.26,;21.35,-29.61,;20.03,-29.12,;20.02,-27.63,;21.36,-27.15,;20.32,-28.39,;20.32,-29.98,;21.74,-30.54,;18.82,-30.4,;17.49,-29.6,;16.14,-30.35,;14.65,-29.92,;13.79,-31.2,;14.74,-32.42,;16.19,-31.89,;18.82,-31.94,;17.47,-32.69,;17.46,-34.23,;18.79,-35.01,;20.13,-34.24,;20.14,-32.7,;18.79,-36.55,;17.44,-37.31,;17.43,-38.85,;18.77,-39.63,;20.11,-38.86,;21.45,-39.63,;20.12,-37.32,)|
BDBM50445570 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C#N |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(37.55,-36.73,;36.27,-37.58,;36.25,-39.12,;34.85,-39.46,;33.52,-38.97,;33.52,-37.48,;34.86,-37,;33.82,-38.24,;33.82,-39.83,;35.24,-40.4,;32.32,-40.25,;30.98,-39.45,;29.64,-40.2,;28.15,-39.78,;27.29,-41.06,;28.24,-42.27,;29.69,-41.74,;32.31,-41.79,;30.97,-42.54,;30.96,-44.08,;32.29,-44.86,;33.63,-44.09,;33.63,-42.56,;32.29,-46.4,;30.94,-47.16,;30.93,-48.7,;32.27,-49.48,;33.61,-48.71,;33.61,-47.17,;32.27,-51.03,;32.26,-52.57,)|
BDBM50445571 C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccc(cc1)-c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(28.03,-1.86,;26.68,-2.61,;26.74,-4.15,;25.29,-4.68,;24.33,-3.46,;25.19,-2.18,;29.37,-2.66,;30.57,-1.38,;31.89,-1.87,;33.29,-1.52,;33.31,.02,;31.9,.6,;30.56,.11,;30.86,-.65,;30.87,-2.24,;32.28,-2.8,;29.36,-4.2,;28.02,-4.95,;28.01,-6.49,;29.34,-7.26,;30.67,-6.5,;30.68,-4.96,;29.33,-8.8,;27.99,-9.57,;27.98,-11.11,;29.31,-11.89,;30.66,-11.12,;30.66,-9.58,)|
BDBM50445572 O[C@H]1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1 |r,wD:1.0,TLB:17:10:7:1.2.9,0:1:7:4.5.10,THB:11:10:7:1.2.9,10:4:1:7.8.9,10:8:1:4.5.3,3:4:7:1.2.9,3:2:7:4.5.10,(31.16,-31.37,;29.88,-32.22,;28.47,-31.64,;27.13,-32.11,;27.14,-33.61,;28.46,-34.1,;29.86,-33.75,;28.85,-35.03,;27.44,-34.46,;27.43,-32.87,;25.94,-34.89,;24.6,-34.08,;23.25,-34.83,;21.76,-34.41,;20.9,-35.69,;21.86,-36.9,;23.31,-36.37,;25.93,-36.42,;27.25,-37.19,;27.24,-38.72,;25.91,-39.49,;24.57,-38.71,;24.58,-37.18,;25.9,-41.03,;24.55,-41.79,;24.54,-43.33,;25.88,-44.11,;25.88,-45.65,;27.22,-43.34,;27.23,-41.8,)|
BDBM50445573 Cc1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:23:22:13.24.25:27,10:13:21.23.22:25.26.27,14:13:27:21.22.28,THB:29:28:13.24.25:27,23:24:27:21.22.28,28:22:13:25.26.27,28:26:13:21.23.22,10:13:27:21.22.28,14:13:21.23.22:25.26.27,(40.11,-41.92,;40.12,-40.38,;38.79,-39.6,;38.79,-38.05,;40.14,-37.29,;41.47,-38.06,;41.46,-39.6,;40.14,-35.75,;38.82,-34.97,;38.83,-33.44,;40.17,-32.68,;41.49,-33.45,;41.48,-34.98,;40.18,-31.14,;38.84,-30.34,;37.49,-31.09,;36,-30.67,;35.14,-31.95,;36.09,-33.16,;37.54,-32.63,;41.38,-29.86,;42.7,-30.36,;44.1,-30.01,;43.09,-31.29,;41.67,-30.72,;41.67,-29.14,;42.71,-27.9,;41.37,-28.38,;44.12,-28.48,;45.41,-27.63,)|
BDBM50445574 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(55.6,-25.2,;54.31,-26.05,;54.29,-27.58,;52.89,-27.93,;51.57,-27.44,;51.56,-25.95,;52.9,-25.47,;51.86,-26.71,;51.87,-28.3,;53.28,-28.86,;50.37,-28.72,;49.03,-27.92,;47.68,-28.67,;46.19,-28.24,;45.33,-29.52,;46.29,-30.74,;47.74,-30.21,;50.36,-30.26,;49.02,-31.01,;49.01,-32.55,;50.33,-33.32,;51.67,-32.56,;51.68,-31.02,;50.33,-34.86,;48.99,-35.63,;48.98,-37.17,;50.31,-37.95,;51.66,-37.18,;51.66,-35.64,;50.31,-39.49,;48.97,-40.26,;51.64,-40.27,;50.3,-41.03,)|
BDBM50445575 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccccc1F |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(34.73,-27.29,;33.44,-28.14,;33.42,-29.67,;32.02,-30.02,;30.7,-29.53,;30.69,-28.04,;32.04,-27.56,;30.99,-28.8,;31,-30.39,;32.42,-30.95,;29.5,-30.81,;28.16,-30.01,;26.81,-30.76,;25.32,-30.33,;24.46,-31.61,;25.42,-32.83,;26.87,-32.3,;29.49,-32.35,;28.15,-33.1,;28.14,-34.64,;29.47,-35.42,;30.81,-34.65,;30.81,-33.11,;29.46,-36.96,;28.12,-37.72,;28.11,-39.26,;29.44,-40.04,;30.79,-39.27,;30.79,-37.73,;32.13,-36.96,)|
BDBM50445576 COC12CC3CC(C1)C(Cc1nnn[nH]1)(C(C3)C2)c1ccc(cc1)-c1ccccc1 |TLB:16:15:7:5.4.3,18:8:5.16.4:17.2.7,18:8:7:5.4.3,1:2:8:5.16.4,THB:16:4:8.15.17:7,3:4:8:17.2.7,3:2:8:5.16.4,9:8:5.16.4:17.2.7,9:8:7:5.4.3,(54.65,3.84,;53.31,3.05,;53.32,1.51,;54.73,.93,;54.71,-.61,;53.31,-.96,;51.99,-.47,;51.98,1.02,;50.79,-1.75,;49.45,-.95,;48.1,-1.7,;46.61,-1.27,;45.75,-2.55,;46.71,-3.77,;48.16,-3.24,;52.29,-1.33,;53.7,-1.89,;52.28,.27,;50.78,-3.28,;49.44,-4.04,;49.43,-5.57,;50.76,-6.35,;52.1,-5.58,;52.1,-4.05,;50.75,-7.89,;49.41,-8.66,;49.4,-10.2,;50.73,-10.98,;52.08,-10.2,;52.08,-8.66,)|
BDBM50445577 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)C#Cc1ccccc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.45,-12.98,;44.16,-13.83,;44.14,-15.35,;42.75,-15.7,;41.43,-15.21,;41.42,-13.73,;42.76,-13.25,;41.72,-14.48,;41.72,-16.07,;43.14,-16.63,;40.23,-16.49,;38.89,-15.69,;37.55,-16.44,;36.06,-16.01,;35.2,-17.29,;36.16,-18.5,;37.6,-17.97,;40.22,-18.02,;40.21,-19.56,;40.2,-21.1,;38.86,-21.86,;38.85,-23.4,;40.18,-24.18,;41.53,-23.41,;41.53,-21.87,)|
BDBM50445578 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1cccnc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(45.07,-33.21,;43.78,-34.06,;43.77,-35.6,;42.37,-35.94,;41.04,-35.45,;41.03,-33.96,;42.38,-33.48,;41.33,-34.72,;41.34,-36.31,;42.76,-36.88,;39.84,-36.73,;38.5,-35.93,;37.15,-36.68,;35.66,-36.26,;34.8,-37.54,;35.76,-38.75,;37.21,-38.22,;39.83,-38.27,;38.49,-39.03,;38.48,-40.56,;39.81,-41.34,;41.15,-40.57,;41.15,-39.04,;39.8,-42.88,;38.46,-43.65,;38.45,-45.19,;39.78,-45.97,;41.13,-45.2,;41.13,-43.65,)|
BDBM50445579 C(c1nnn[nH]1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:15:14:12:8.9.10,16:6:12:8.9.10,0:6:8.15.9:13.11.12,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,16:6:8.15.9:13.11.12,0:6:12:8.9.10,(6.07,-4.02,;4.72,-4.77,;4.78,-6.32,;3.32,-6.85,;2.37,-5.63,;3.23,-4.35,;7.41,-4.82,;8.61,-3.54,;9.94,-4.04,;11.34,-3.69,;11.36,-2.15,;9.95,-1.57,;8.6,-2.05,;8.91,-2.81,;8.91,-4.4,;10.33,-4.97,;7.4,-6.36,;6.06,-7.12,;6.05,-8.66,;7.38,-9.44,;8.72,-8.67,;8.72,-7.13,)|
BDBM50445580 Fc1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC(C2)CC1C3 |TLB:22:21:19:15.16.17,4:7:19:15.16.17,8:7:15.22.16:20.18.19,THB:22:16:7.21.20:19,17:16:7:20.18.19,17:18:7:15.22.16,4:7:15.22.16:20.18.19,8:7:19:15.16.17,(10.18,-13.14,;10.19,-11.6,;8.86,-10.82,;8.87,-9.28,;10.21,-8.53,;11.53,-9.3,;11.53,-10.83,;10.22,-6.99,;8.88,-6.19,;7.53,-6.94,;6.13,-6.28,;5.07,-7.42,;5.83,-8.77,;7.34,-8.47,;11.42,-5.71,;12.75,-6.2,;14.15,-5.85,;14.17,-4.32,;12.76,-3.74,;11.42,-4.22,;11.72,-4.98,;11.72,-6.57,;13.14,-7.13,)|
BDBM50445581 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(Oc2ccccc2)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(71.43,-13.18,;70.14,-14.03,;70.12,-15.56,;68.72,-15.91,;67.4,-15.42,;67.39,-13.93,;68.73,-13.45,;67.69,-14.69,;67.69,-16.27,;69.11,-16.84,;66.2,-16.69,;64.86,-15.89,;63.51,-16.64,;62.02,-16.22,;61.16,-17.5,;62.11,-18.72,;63.56,-18.18,;66.19,-18.23,;64.85,-18.99,;64.84,-20.52,;66.16,-21.3,;66.15,-22.84,;64.81,-23.61,;63.49,-22.83,;62.15,-23.59,;62.14,-25.14,;63.48,-25.92,;64.82,-25.15,;67.5,-20.53,;67.51,-19,)|
BDBM50445582 CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C1(Cc2nnn[nH]2)C2CC3CC1CC(C2)C3O |TLB:26:25:16.27.28:30,13:16:24.26.25:28.29.30,17:16:30:24.25.31,THB:32:31:16.27.28:30,26:27:30:24.25.31,31:25:16:28.29.30,31:29:16:24.26.25,13:16:30:24.25.31,17:16:24.26.25:28.29.30,(17.97,-51.27,;19.31,-50.5,;20.08,-51.83,;20.86,-50.49,;19.32,-48.96,;17.98,-48.18,;17.99,-46.63,;19.34,-45.87,;20.67,-46.64,;20.67,-48.18,;19.34,-44.33,;18.02,-43.55,;18.03,-42.02,;19.37,-41.26,;20.69,-42.03,;20.68,-43.56,;19.38,-39.72,;18.04,-38.92,;16.69,-39.67,;15.2,-39.25,;14.34,-40.53,;15.29,-41.74,;16.74,-41.21,;20.58,-38.44,;21.9,-38.93,;23.3,-38.59,;22.29,-39.87,;20.87,-39.3,;20.87,-37.71,;21.91,-36.47,;20.57,-36.95,;23.32,-37.05,;24.61,-36.2,)|
BDBM50445583 OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(cc1)-c1ccncc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,17:10:5:3.2.1,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,17:10:3.9.2:7.6.5,11:10:5:3.2.1,(50.71,-36.68,;49.42,-37.53,;49.4,-39.07,;48,-39.41,;46.67,-38.92,;46.67,-37.43,;48.01,-36.95,;46.97,-38.19,;46.97,-39.78,;48.39,-40.35,;45.47,-40.2,;44.13,-39.4,;42.78,-40.15,;41.29,-39.73,;40.43,-41.01,;41.39,-42.23,;42.84,-41.69,;45.46,-41.74,;44.12,-42.5,;44.11,-44.03,;45.44,-44.81,;46.78,-44.04,;46.78,-42.51,;45.43,-46.35,;44.09,-47.12,;44.08,-48.66,;45.42,-49.44,;46.76,-48.67,;46.76,-47.13,)|
BDBM50448692 C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@H]1CCCO1 |r,wU:5.5,1.0,wD:28.32,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(47.07,-8.34,;48.4,-9.12,;49.73,-8.35,;51.05,-9.13,;51.06,-10.67,;49.72,-11.43,;49.71,-12.97,;48.39,-10.66,;52.39,-8.37,;52.39,-6.82,;53.72,-6.05,;55.05,-6.81,;56.38,-6.04,;56.38,-4.5,;57.72,-6.8,;59.05,-6.03,;60.55,-5.64,;60.57,-4.05,;61.64,-2.84,;60.28,-3.29,;60.26,-4.78,;61.58,-5.29,;62.99,-4.97,;64.53,-4.93,;63.03,-3.44,;61.95,-6.23,;55.06,-8.37,;53.72,-9.14,;56.33,-9.23,;56.37,-10.77,;57.85,-11.21,;58.72,-9.94,;57.78,-8.72,)|
BDBM50448693 OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2 |r,wD:23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(20.14,-39,;18.6,-39.04,;18.64,-37.51,;17.25,-36.9,;16.19,-38.12,;16.16,-39.71,;17.56,-40.3,;14.66,-40.1,;13.33,-40.87,;12,-40.11,;11.99,-38.57,;10.66,-40.88,;9.43,-39.96,;8.17,-40.84,;6.72,-40.34,;5.61,-41.41,;4.08,-41.4,;4.06,-42.94,;5.6,-42.96,;2.95,-44.01,;1.85,-45.09,;8.63,-42.31,;10.17,-42.34,;11.05,-43.6,;10.56,-45.05,;11.79,-45.98,;13.05,-45.09,;12.6,-43.62,;15.88,-38.85,;15.89,-37.35,;17.19,-39.36,)|
BDBM50448694 C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)[C@@H]1CCCO1 |r,wU:28.32,5.5,1.0,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(4.85,-21.3,;6.18,-22.08,;7.51,-21.32,;8.83,-22.1,;8.84,-23.63,;7.5,-24.4,;7.49,-25.94,;6.17,-23.62,;10.17,-21.33,;10.17,-19.78,;11.5,-19.01,;12.83,-19.78,;14.17,-19,;14.16,-17.46,;15.5,-19.77,;16.83,-18.99,;18.33,-18.61,;18.35,-17.01,;19.42,-15.8,;18.06,-16.25,;18.05,-17.74,;19.36,-18.25,;20.77,-17.93,;22.31,-17.9,;20.81,-16.4,;19.73,-19.19,;12.84,-21.33,;11.5,-22.1,;14.11,-22.19,;14.15,-23.73,;15.63,-24.17,;16.5,-22.9,;15.56,-21.68,)|
BDBM50448696 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4(CC4)C#N)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(19.83,-18.54,;18.29,-18.57,;18.33,-17.04,;16.94,-16.44,;15.88,-17.65,;15.85,-19.24,;17.26,-19.83,;14.35,-19.63,;13.02,-20.41,;11.69,-19.64,;11.68,-18.1,;10.36,-20.42,;9.12,-19.49,;7.86,-20.38,;6.41,-19.88,;5.25,-20.89,;3.79,-20.39,;4.29,-18.93,;2.78,-19.23,;2.63,-21.4,;1.47,-22.41,;8.32,-21.85,;9.86,-21.88,;10.75,-23.13,;10.88,-24.66,;12.14,-23.78,;15.57,-18.38,;15.58,-16.89,;16.89,-18.89,)|
BDBM50448697 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1[C@H]1CCCO1)C(C3)C2 |r,wU:1.0,wD:7.8,23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(41.98,-39.31,;40.44,-39.34,;40.47,-37.81,;39.08,-37.21,;38.02,-38.42,;38,-40.01,;39.4,-40.6,;36.5,-40.4,;35.17,-41.18,;33.83,-40.41,;33.82,-38.87,;32.5,-41.19,;31.27,-40.26,;30.01,-41.15,;28.55,-40.65,;27.22,-41.43,;25.89,-40.66,;24.57,-41.43,;24.57,-42.97,;25.91,-43.74,;27.24,-42.97,;30.46,-42.62,;32,-42.64,;32.88,-43.9,;32.39,-45.36,;33.62,-46.28,;34.88,-45.4,;34.43,-43.92,;37.71,-39.15,;37.73,-37.66,;39.03,-39.66,)|
BDBM50448698 COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,wD:17.18,3.3,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(42.84,-7.77,;44.29,-8.27,;45.45,-7.25,;46.91,-7.75,;47.21,-9.27,;48.07,-6.74,;49.53,-7.24,;49.98,-8.71,;51.52,-8.74,;52.41,-9.99,;52.55,-11.53,;53.81,-10.64,;52.02,-7.28,;50.79,-6.36,;53.35,-6.51,;53.34,-4.97,;54.69,-7.27,;56.02,-6.5,;57.52,-6.11,;57.54,-4.52,;58.6,-3.3,;57.25,-3.75,;57.23,-5.25,;58.55,-5.76,;59.96,-5.44,;61.5,-5.4,;60,-3.91,;58.92,-6.7,)|
BDBM50448699 COCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:23.26,wD:16.17,TLB:15:16:20:22.23.25,26:23:16.17.18:20,THB:26:17:20:22.23.25,25:23:16:18.19.20,25:19:16:22.26.23,24:23:16:18.19.20,24:23:16.17.18:20,(21.81,-7.27,;23.26,-7.77,;24.42,-6.76,;25.88,-7.26,;27.04,-6.24,;28.5,-6.74,;28.95,-8.22,;30.49,-8.24,;31.38,-9.49,;31.52,-11.03,;32.78,-10.14,;30.99,-6.78,;29.76,-5.86,;32.32,-6.01,;32.31,-4.47,;33.66,-6.77,;34.99,-6,;36.49,-5.61,;36.51,-4.02,;37.57,-2.8,;36.22,-3.26,;36.2,-4.75,;37.52,-5.26,;38.93,-4.94,;40.47,-4.9,;38.96,-3.41,;37.89,-6.2,)|
BDBM50448700 OCCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(2.26,-7.56,;3.42,-6.55,;4.87,-7.05,;6.03,-6.04,;7.49,-6.54,;7.94,-8.01,;9.48,-8.03,;10.37,-9.28,;10.51,-10.82,;11.77,-9.93,;9.98,-6.57,;8.75,-5.65,;11.31,-5.8,;11.31,-4.26,;12.65,-6.56,;13.98,-5.79,;15.48,-5.4,;15.5,-3.81,;16.57,-2.6,;15.21,-3.05,;15.19,-4.54,;16.51,-5.05,;17.92,-4.73,;19.46,-4.69,;17.96,-3.2,;16.88,-5.99,)|
BDBM50448701 CC(C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(39.67,-54.36,;41.13,-54.86,;41.43,-56.37,;42.29,-53.85,;43.75,-54.35,;44.2,-55.82,;45.74,-55.85,;46.63,-57.1,;46.77,-58.63,;48.03,-57.75,;46.24,-54.39,;45.01,-53.47,;47.57,-53.61,;47.56,-52.07,;48.91,-54.38,;50.24,-53.6,;51.74,-53.22,;51.76,-51.63,;52.82,-50.41,;51.47,-50.86,;51.45,-52.35,;52.77,-52.87,;54.18,-52.54,;55.71,-52.51,;54.21,-51.01,;53.14,-53.8,)|
BDBM50448702 CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(18.99,-53.98,;20.45,-54.48,;21.61,-53.47,;23.07,-53.97,;23.52,-55.44,;25.06,-55.47,;25.95,-56.72,;26.09,-58.25,;27.35,-57.37,;25.56,-54.01,;24.33,-53.09,;26.89,-53.23,;26.88,-51.69,;28.23,-54,;29.56,-53.22,;31.06,-52.84,;31.08,-51.25,;32.14,-50.03,;30.79,-50.48,;30.77,-51.97,;32.09,-52.49,;33.5,-52.16,;35.04,-52.13,;33.53,-50.63,;32.46,-53.42,)|
BDBM50448703 COc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.23,wD:13.14,TLB:12:13:17:19.20.22,23:20:13.14.15:17,THB:23:14:17:19.20.22,22:20:13:15.16.17,22:16:13:19.23.20,21:20:13:15.16.17,21:20:13.14.15:17,(1.49,-54,;2.65,-52.98,;4.11,-53.48,;4.56,-54.96,;6.1,-54.98,;6.99,-56.23,;7.13,-57.77,;8.39,-56.88,;6.6,-53.52,;5.37,-52.6,;7.93,-52.75,;7.92,-51.21,;9.26,-53.51,;10.6,-52.74,;12.1,-52.35,;12.12,-50.76,;13.18,-49.54,;11.83,-50,;11.81,-51.49,;13.13,-52,;14.53,-51.68,;16.07,-51.64,;14.57,-50.15,;13.5,-52.94,)|
BDBM50448704 COC[C@H](C)Oc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:3.3,wD:9.8,TLB:18:19:23:25.26.28,29:26:19.20.21:23,THB:29:20:23:25.26.28,28:26:19:21.22.23,28:22:19:25.29.26,27:26:19:21.22.23,27:26:19.20.21:23,(31.36,-30.47,;32.82,-30.97,;33.98,-29.96,;35.44,-30.46,;35.73,-31.97,;36.6,-29.45,;38.06,-29.95,;38.51,-31.42,;40.05,-31.44,;40.93,-32.7,;40.44,-34.15,;41.67,-35.08,;42.93,-34.19,;42.48,-32.72,;40.55,-29.98,;39.32,-29.06,;41.88,-29.21,;41.87,-27.67,;43.21,-29.97,;44.54,-29.2,;46.04,-28.81,;46.07,-27.22,;47.13,-26.01,;45.78,-26.46,;45.76,-27.95,;47.08,-28.46,;48.48,-28.14,;50.02,-28.1,;48.52,-26.61,;47.45,-29.4,)|
BDBM50448705 COCCOc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wD:8.7,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(13.52,-30.59,;14.98,-31.09,;16.14,-30.08,;17.6,-30.58,;18.76,-29.57,;20.21,-30.07,;20.66,-31.54,;22.2,-31.57,;23.09,-32.83,;22.6,-34.28,;23.83,-35.2,;25.09,-34.32,;24.64,-32.85,;22.7,-30.11,;21.47,-29.18,;24.03,-29.33,;24.03,-27.79,;25.37,-30.1,;26.7,-29.32,;28.2,-28.94,;28.22,-27.34,;29.29,-26.13,;27.93,-26.58,;27.92,-28.07,;29.23,-28.58,;30.64,-28.26,;32.18,-28.23,;30.68,-26.73,;29.6,-29.52,)|
BDBM50448706 COc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,5.4,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(.87,-30.81,;2.03,-29.8,;3.48,-30.3,;3.94,-31.77,;5.48,-31.79,;6.36,-33.05,;5.87,-34.5,;7.1,-35.43,;8.36,-34.54,;7.91,-33.07,;5.97,-30.33,;4.74,-29.41,;7.31,-29.56,;7.3,-28.02,;8.64,-30.32,;9.97,-29.55,;11.47,-29.16,;11.5,-27.57,;12.56,-26.36,;11.2,-26.81,;11.19,-28.3,;12.5,-28.81,;13.91,-28.49,;15.45,-28.45,;13.95,-26.96,;12.87,-29.75,)|
BDBM50448707 CS(=O)(=O)Cc1nc([C@H]2CCCO2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wD:8.7,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:26:25:18:20.21.22,26:25:18.19.20:22,27:25:18:20.21.22,27:21:18:24.28.25,28:19:22:24.25.27,(49.09,-19.65,;50.54,-20.15,;50.04,-21.61,;51.55,-21.31,;51.7,-19.14,;53.16,-19.64,;53.61,-21.11,;55.15,-21.14,;56.04,-22.4,;55.55,-23.85,;56.78,-24.77,;58.04,-23.89,;57.58,-22.42,;55.65,-19.68,;54.42,-18.76,;56.98,-18.9,;56.98,-17.36,;58.32,-19.67,;59.65,-18.89,;61.15,-18.51,;61.17,-16.92,;62.24,-15.7,;60.88,-16.15,;60.86,-17.64,;62.18,-18.16,;63.59,-17.83,;65.13,-17.8,;63.63,-16.3,;62.55,-19.09,)|
BDBM50448221 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccc(F)cc1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(16.74,-56.49,;15.96,-55.16,;15.56,-56.64,;17.3,-54.38,;18.63,-55.15,;18.63,-56.69,;19.96,-54.38,;21.23,-55.26,;22.57,-54.77,;21.54,-56.01,;21.55,-57.6,;20.05,-58.02,;21.24,-56.74,;22.58,-57.22,;23.97,-56.87,;22.96,-58.15,;23.97,-55.34,;25.29,-57.66,;26.63,-56.9,;25.28,-59.2,;14.63,-54.39,;13.3,-55.16,;12.53,-56.49,;14.07,-56.49,;11.96,-54.39,;10.62,-55.16,;9.29,-54.39,;9.29,-52.85,;7.96,-52.08,;10.62,-52.08,;11.96,-52.84,)|
BDBM50448222 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(F)c1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(31.67,-49.6,;30.9,-48.27,;30.49,-49.75,;32.23,-47.5,;33.56,-48.27,;33.57,-49.81,;34.9,-47.5,;36.16,-48.37,;37.51,-47.89,;36.47,-49.13,;36.49,-50.71,;34.99,-51.14,;36.18,-49.86,;37.51,-50.34,;38.9,-49.99,;37.9,-51.27,;38.9,-48.46,;40.27,-50.69,;41.56,-49.85,;40.35,-52.23,;29.56,-47.5,;28.23,-48.28,;27.46,-49.61,;29,-49.61,;26.89,-47.51,;26.89,-45.96,;25.55,-45.19,;24.22,-45.97,;24.22,-47.51,;22.89,-48.28,;25.56,-48.28,)|
BDBM50448223 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccccc1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(34.84,-49.23,;34.06,-47.89,;33.66,-49.38,;35.4,-47.12,;36.73,-47.89,;36.73,-49.43,;38.06,-47.12,;39.33,-48,;40.67,-47.51,;39.64,-48.75,;39.66,-50.34,;38.16,-50.76,;39.35,-49.48,;40.68,-49.96,;42.07,-49.61,;41.06,-50.89,;42.07,-48.08,;43.41,-50.36,;44.74,-49.57,;43.44,-51.9,;32.73,-47.13,;31.4,-47.9,;30.63,-49.23,;32.17,-49.23,;30.06,-47.13,;30.06,-45.58,;28.72,-44.82,;27.39,-45.59,;27.39,-47.13,;28.72,-47.9,;28.72,-49.44,)|
BDBM50448224 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(11.44,-47.23,;10.67,-45.9,;10.26,-47.38,;12,-45.12,;13.33,-45.89,;13.34,-47.43,;14.67,-45.12,;15.93,-46,;17.28,-45.51,;16.25,-46.75,;16.26,-48.34,;14.76,-48.76,;15.95,-47.48,;17.28,-47.96,;18.67,-47.61,;17.67,-48.89,;18.68,-46.08,;20.01,-48.37,;21.34,-47.59,;20.03,-49.91,;9.33,-45.13,;8,-45.9,;7.23,-47.23,;8.77,-47.23,;6.66,-45.13,;6.66,-43.58,;5.32,-42.82,;4,-43.59,;3.99,-45.13,;2.66,-45.9,;5.33,-45.9,)|
BDBM50448225 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1c(F)cc(F)cc1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(35.27,-35.23,;34.5,-33.9,;34.09,-35.38,;35.83,-33.13,;37.16,-33.9,;37.17,-35.44,;38.5,-33.12,;39.76,-34,;41.11,-33.51,;40.07,-34.76,;40.09,-36.34,;38.59,-36.77,;39.78,-35.49,;41.11,-35.97,;42.5,-35.62,;41.5,-36.9,;42.51,-34.09,;43.83,-36.4,;45.17,-35.64,;43.81,-37.94,;33.16,-33.13,;31.83,-33.9,;31.06,-35.24,;32.6,-35.24,;30.49,-33.14,;29.16,-33.91,;29.16,-35.45,;27.82,-33.14,;27.83,-31.59,;26.49,-30.82,;29.15,-30.82,;30.49,-31.59,;31.82,-30.81,)|
BDBM50448226 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccc(F)c(F)c1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(31.84,-41.57,;31.07,-40.23,;30.66,-41.71,;32.4,-39.46,;33.74,-40.23,;33.74,-41.77,;35.07,-39.46,;36.33,-40.33,;37.68,-39.85,;36.65,-41.09,;36.66,-42.67,;35.16,-43.1,;36.35,-41.82,;37.68,-42.3,;39.08,-41.95,;38.07,-43.23,;39.08,-40.42,;40.44,-42.66,;41.74,-41.83,;40.51,-44.2,;29.73,-39.47,;28.4,-40.24,;27.63,-41.57,;29.17,-41.57,;27.07,-39.47,;27.06,-37.92,;25.73,-37.16,;24.4,-37.93,;23.06,-37.16,;24.4,-39.47,;23.06,-40.24,;25.73,-40.24,)|
BDBM50448227 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1c(F)cccc1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(10.8,-38.9,;10.03,-37.57,;9.62,-39.05,;11.36,-36.8,;12.7,-37.57,;12.7,-39.11,;14.03,-36.8,;15.29,-37.67,;16.64,-37.19,;15.61,-38.43,;15.62,-40.01,;14.12,-40.44,;15.31,-39.16,;16.64,-39.64,;18.03,-39.29,;17.03,-40.57,;18.04,-37.76,;19.36,-40.07,;20.7,-39.3,;19.36,-41.61,;8.69,-36.8,;7.36,-37.58,;6.59,-38.91,;8.13,-38.91,;6.03,-36.81,;4.69,-37.58,;4.69,-39.12,;3.36,-36.81,;3.36,-35.26,;4.69,-34.49,;6.02,-35.26,;7.35,-34.48,)|
BDBM50448228 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cc(F)cc(F)c1 |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(35.35,-34.25,;34.58,-32.91,;34.17,-34.39,;35.91,-32.14,;37.24,-32.91,;37.25,-34.45,;38.58,-32.14,;39.84,-33.01,;41.19,-32.53,;40.15,-33.77,;40.17,-35.35,;38.67,-35.78,;39.86,-34.5,;41.19,-34.98,;42.58,-34.63,;41.58,-35.91,;42.59,-33.1,;43.92,-35.4,;45.25,-34.63,;43.92,-36.94,;33.24,-32.15,;31.91,-32.92,;31.14,-34.25,;32.68,-34.25,;30.57,-32.15,;30.57,-30.6,;29.23,-29.84,;29.23,-28.3,;27.9,-30.61,;27.9,-32.15,;26.57,-32.92,;29.24,-32.92,)|
BDBM50448229 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(F)c1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(11.78,-31.4,;11.01,-30.07,;10.6,-31.55,;12.34,-29.3,;13.68,-30.06,;13.68,-31.6,;15.01,-29.29,;16.27,-30.17,;17.62,-29.68,;16.59,-30.92,;16.6,-32.51,;15.1,-32.94,;16.29,-31.65,;17.62,-32.14,;19.01,-31.79,;18.01,-33.06,;19.02,-30.25,;20.35,-32.56,;21.68,-31.79,;20.34,-34.1,;9.67,-29.3,;8.34,-30.07,;7.57,-31.41,;9.11,-31.4,;7.01,-29.3,;7,-27.75,;5.67,-26.99,;4.34,-27.76,;4.34,-29.3,;3,-30.07,;5.67,-30.07,;5.67,-31.61,)|
BDBM50448230 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1ccc(F)cc1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(35.35,-34.25,;34.58,-32.91,;34.17,-34.39,;35.91,-32.14,;37.24,-32.91,;37.25,-34.45,;38.58,-32.14,;39.84,-33.01,;41.19,-32.53,;40.15,-33.77,;40.17,-35.35,;38.67,-35.78,;39.86,-34.5,;41.19,-34.98,;42.58,-34.63,;41.58,-35.91,;42.59,-33.1,;43.92,-35.4,;45.25,-34.63,;43.92,-36.94,;33.24,-32.15,;31.91,-32.92,;31.14,-34.25,;32.68,-34.25,;30.57,-32.15,;30.57,-30.6,;29.23,-29.84,;27.9,-30.61,;26.57,-29.84,;27.9,-32.15,;29.24,-32.92,;29.24,-34.46,)|
BDBM50448231 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1Cl |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(10.27,-32,;9.5,-30.67,;9.09,-32.15,;10.83,-29.9,;12.17,-30.67,;12.17,-32.21,;13.5,-29.9,;14.76,-30.77,;16.11,-30.29,;15.08,-31.53,;15.09,-33.11,;13.59,-33.54,;14.78,-32.26,;16.11,-32.74,;17.51,-32.39,;16.5,-33.67,;17.51,-30.86,;18.86,-33.13,;20.17,-32.33,;18.89,-34.67,;8.17,-29.9,;6.83,-30.68,;6.06,-32.01,;7.6,-32.01,;5.5,-29.91,;5.49,-28.36,;4.16,-27.59,;2.83,-28.36,;2.83,-29.91,;1.49,-30.68,;4.16,-30.68,;4.16,-32.22,)|
BDBM50448232 CC(C)(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)NS(=O)(=O)c1cccc(Cl)c1F |r,wU:7.6,wD:14.19,TLB:16:14:11:9.8.7,6:7:11:13.15.14,THB:15:10:7:13.14.16,15:14:11.10.9:7,16:8:11:13.15.14,17:14:11:9.8.7,(29.03,-26.58,;28.26,-25.25,;27.85,-26.73,;29.59,-24.48,;30.93,-25.25,;30.93,-26.79,;32.26,-24.47,;33.52,-25.35,;34.87,-24.87,;33.84,-26.11,;33.85,-27.69,;32.35,-28.12,;33.54,-26.84,;34.87,-27.32,;36.26,-26.97,;35.26,-28.25,;36.27,-25.44,;37.59,-27.75,;38.93,-26.98,;37.59,-29.29,;26.92,-24.48,;25.59,-25.25,;24.82,-26.59,;26.36,-26.59,;24.26,-24.49,;24.25,-22.94,;22.92,-22.17,;21.59,-22.94,;21.59,-24.49,;20.25,-25.26,;22.92,-25.26,;22.92,-26.8,)|
BDBM50448233 Cc1c(Cl)cccc1S(=O)(=O)NC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(5.53,-25.39,;5.53,-23.85,;4.19,-23.08,;2.86,-23.85,;4.2,-21.54,;5.53,-20.77,;6.86,-21.53,;6.87,-23.08,;8.2,-23.85,;7.43,-25.18,;8.97,-25.18,;9.53,-23.08,;10.87,-23.84,;12.2,-23.07,;13.54,-23.84,;13.54,-25.38,;14.87,-23.07,;16.13,-23.94,;16.15,-25.43,;14.96,-26.71,;16.46,-26.28,;17.87,-26.84,;18.88,-25.56,;17.48,-25.91,;18.88,-24.03,;17.48,-23.46,;16.45,-24.7,;10.1,-25.18,;11.64,-25.17,)|
BDBM50448708 CN(C)c1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:23.26,wD:16.17,6.5,TLB:15:16:20:22.23.25,26:23:16.17.18:20,THB:26:17:20:22.23.25,25:23:16:18.19.20,25:19:16:22.26.23,24:23:16:18.19.20,24:23:16.17.18:20,(33.32,-16.69,;33.62,-18.2,;32.46,-19.21,;35.08,-18.7,;35.53,-20.17,;37.07,-20.2,;37.95,-21.46,;37.46,-22.91,;38.69,-23.83,;39.95,-22.95,;39.5,-21.48,;37.57,-18.74,;36.34,-17.81,;38.9,-17.96,;38.89,-16.42,;40.23,-18.73,;41.57,-17.95,;43.07,-17.57,;43.09,-15.97,;44.15,-14.76,;42.8,-15.21,;42.78,-16.7,;44.1,-17.21,;45.5,-16.89,;47.04,-16.86,;45.54,-15.36,;44.47,-18.15,)|
BDBM50448709 CNc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,5.4,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(16.11,-19.63,;17.27,-18.62,;18.73,-19.12,;19.18,-20.59,;20.72,-20.62,;21.6,-21.88,;21.11,-23.33,;22.34,-24.25,;23.6,-23.37,;23.15,-21.9,;21.22,-19.16,;19.99,-18.23,;22.55,-18.38,;22.54,-16.84,;23.89,-19.15,;25.22,-18.37,;26.72,-17.99,;26.74,-16.39,;27.8,-15.18,;26.45,-15.63,;26.43,-17.12,;27.75,-17.63,;29.16,-17.31,;30.69,-17.28,;29.19,-15.78,;28.12,-18.57,)|
BDBM50448710 Nc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,4.3,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(1.44,-18.43,;2.9,-18.93,;3.35,-20.4,;4.89,-20.43,;5.78,-21.69,;5.29,-23.14,;6.52,-24.07,;7.78,-23.18,;7.32,-21.71,;5.39,-18.97,;4.16,-18.05,;6.72,-18.2,;6.72,-16.66,;8.06,-18.96,;9.39,-18.19,;10.89,-17.8,;10.91,-16.21,;11.98,-14.99,;10.62,-15.44,;10.6,-16.94,;11.92,-17.45,;13.33,-17.13,;14.87,-17.09,;13.37,-15.6,;12.29,-18.39,)|
BDBM50448711 COCCc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,wD:17.18,7.6,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(48.04,-7.72,;49.2,-6.71,;50.66,-7.21,;51.82,-6.2,;53.28,-6.7,;53.73,-8.17,;55.27,-8.2,;56.15,-9.46,;55.66,-10.91,;56.89,-11.83,;58.15,-10.95,;57.7,-9.47,;55.77,-6.74,;54.54,-5.81,;57.1,-5.96,;57.09,-4.42,;58.43,-6.73,;59.77,-5.95,;61.27,-5.56,;61.29,-3.97,;62.35,-2.76,;61,-3.21,;60.98,-4.7,;62.3,-5.21,;63.7,-4.89,;65.24,-4.86,;63.74,-3.36,;62.67,-6.15,)|
BDBM50448712 COCc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:23.26,wD:16.17,6.5,TLB:15:16:20:22.23.25,26:23:16.17.18:20,THB:26:17:20:22.23.25,25:23:16:18.19.20,25:19:16:22.26.23,24:23:16:18.19.20,24:23:16.17.18:20,(31.36,-5.88,;32.82,-6.38,;33.98,-5.37,;35.43,-5.87,;35.89,-7.34,;37.43,-7.36,;38.31,-8.62,;37.82,-10.07,;39.05,-11,;40.31,-10.11,;39.86,-8.64,;37.92,-5.9,;36.69,-4.98,;39.26,-5.13,;39.25,-3.59,;40.59,-5.89,;41.92,-5.12,;43.42,-4.73,;43.44,-3.14,;44.51,-1.93,;43.15,-2.38,;43.14,-3.87,;44.45,-4.38,;45.86,-4.06,;47.4,-4.02,;45.9,-2.53,;44.82,-5.32,)|
BDBM50448234 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |r,wU:19.19,wD:26.32,TLB:28:26:23:21.20.19,18:19:23:25.27.26,THB:29:26:23:21.20.19,27:22:19:25.26.28,27:26:23.22.21:19,28:20:23:25.27.26,(2.64,-18.38,;2.64,-16.84,;1.31,-16.07,;-.04,-16.84,;1.31,-14.53,;2.64,-13.76,;3.98,-14.52,;3.98,-16.07,;5.32,-16.84,;4.55,-18.18,;6.09,-18.17,;6.65,-16.07,;7.98,-16.84,;8.76,-18.17,;7.58,-18.32,;9.32,-16.06,;10.65,-16.83,;10.65,-18.37,;11.98,-16.06,;13.25,-16.94,;14.59,-16.45,;13.56,-17.69,;13.58,-19.28,;12.08,-19.71,;13.27,-18.42,;14.6,-18.91,;15.99,-18.56,;14.98,-19.83,;15.99,-17.02,;17.35,-19.27,;17.41,-20.81,;18.89,-19.21,;18.07,-17.91,)|
BDBM50448235 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:19.19,wD:26.32,TLB:28:26:23:21.20.19,18:19:23:25.27.26,THB:27:22:19:25.26.28,27:26:23.22.21:19,28:20:23:25.27.26,29:26:23:21.20.19,(48.96,-12.34,;48.96,-10.8,;47.63,-10.03,;46.29,-10.8,;47.63,-8.49,;48.96,-7.71,;50.29,-8.48,;50.3,-10.03,;51.63,-10.8,;50.86,-12.13,;52.4,-12.13,;52.96,-10.02,;54.3,-10.79,;55.07,-12.13,;53.89,-12.27,;55.63,-10.02,;56.97,-10.79,;56.97,-12.33,;58.3,-10.02,;59.56,-10.89,;60.91,-10.41,;59.88,-11.65,;59.89,-13.23,;58.39,-13.66,;59.58,-12.38,;60.91,-12.86,;62.31,-12.51,;61.3,-13.79,;62.31,-10.98,;63.66,-13.24,;64.97,-12.44,;63.7,-14.78,)|
BDBM50448236 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |r,wU:19.19,wD:26.32,TLB:28:26:23:21.20.19,18:19:23:25.27.26,THB:27:22:19:25.26.28,27:26:23.22.21:19,28:20:23:25.27.26,29:26:23:21.20.19,(.71,-11.2,;.71,-9.66,;-.63,-8.89,;-1.97,-9.66,;-.64,-7.35,;.7,-6.58,;2.04,-7.34,;2.04,-8.89,;3.38,-9.66,;2.61,-11,;4.15,-10.99,;4.71,-8.89,;6.05,-9.66,;6.82,-10.99,;5.64,-11.14,;7.38,-8.88,;8.71,-9.65,;8.72,-11.19,;10.05,-8.88,;11.31,-9.76,;12.66,-9.27,;11.62,-10.51,;11.64,-12.1,;10.14,-12.53,;11.33,-11.24,;12.66,-11.73,;14.05,-11.37,;13.05,-12.65,;14.06,-9.84,;15.39,-12.14,;16.72,-11.36,;15.39,-13.68,)|
BDBM50448237 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.19,wD:26.28,TLB:29:26:23:21.20.19,18:19:23:25.28.26,27:26:23:21.20.19,27:26:23.22.21:19,THB:28:22:19:25.26.29,28:26:23.22.21:19,29:20:23:25.28.26,(61.35,-6.19,;61.35,-4.65,;60.01,-3.88,;58.68,-4.65,;60.01,-2.33,;61.34,-1.56,;62.68,-2.33,;62.68,-3.88,;64.02,-4.65,;63.25,-5.98,;64.79,-5.98,;65.35,-3.87,;66.69,-4.64,;67.46,-5.97,;66.28,-6.12,;68.02,-3.87,;69.35,-4.64,;69.36,-6.18,;70.69,-3.86,;71.95,-4.74,;73.3,-4.26,;72.26,-5.5,;72.28,-7.08,;70.78,-7.51,;71.97,-6.23,;73.3,-6.71,;74.69,-6.36,;76.23,-6.29,;73.68,-7.64,;74.69,-4.83,)|
BDBM50448238 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.28:19,26:24:21:28.27.19,26:27:21:25.23.24,(61.35,-6.19,;61.35,-4.65,;60.01,-3.88,;58.68,-4.65,;60.01,-2.33,;61.34,-1.56,;62.68,-2.33,;62.68,-3.88,;64.02,-4.65,;63.25,-5.98,;64.79,-5.98,;65.35,-3.87,;66.69,-4.64,;67.46,-5.97,;66.28,-6.12,;68.02,-3.87,;69.35,-4.64,;69.36,-6.18,;70.69,-3.86,;71.95,-4.74,;71.97,-6.23,;70.78,-7.51,;72.28,-7.08,;73.68,-7.64,;74.69,-6.36,;73.3,-6.71,;74.69,-4.83,;73.3,-4.26,;72.26,-5.5,)|
BDBM50448239 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25,18:19:22:26.24.25|
BDBM50448240 C[C@H](CC(=O)NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1cccc(Cl)c1C |r,wU:1.0,TLB:5:6:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.15:6,13:11:8:15.14.6,13:14:8:12.10.11,(67.38,-20.97,;67.39,-19.43,;68.72,-18.66,;70.06,-19.43,;70.06,-20.97,;71.39,-18.66,;72.66,-19.54,;72.67,-21.02,;71.48,-22.3,;72.98,-21.87,;74.39,-22.43,;75.4,-21.15,;74,-21.5,;75.4,-19.62,;74,-19.05,;72.97,-20.29,;66.06,-18.67,;64.72,-19.44,;63.96,-20.77,;65.5,-20.77,;63.39,-18.67,;63.38,-17.12,;62.05,-16.36,;60.72,-17.13,;60.72,-18.67,;59.38,-19.44,;62.05,-19.44,;62.05,-20.98,)|
BDBM50448241 C[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)NS(=O)(=O)c1cccc(Cl)c1C |r,wD:1.0,TLB:5:6:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.15:6,13:11:8:15.14.6,13:14:8:12.10.11,(48.85,-20.13,;48.86,-18.59,;50.2,-17.82,;51.53,-18.59,;51.53,-20.13,;52.86,-17.82,;54.13,-18.7,;54.14,-20.18,;52.95,-21.46,;54.45,-21.03,;55.86,-21.59,;56.87,-20.31,;55.48,-20.66,;56.87,-18.78,;55.47,-18.21,;54.44,-19.45,;47.53,-17.83,;46.2,-18.6,;45.43,-19.93,;46.97,-19.93,;44.86,-17.83,;44.86,-16.28,;43.52,-15.52,;42.19,-16.29,;42.19,-17.83,;40.85,-18.6,;43.52,-18.6,;43.52,-20.14,)|
BDBM50448242 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)N[C@H]1C2CC3CC1C[C@@](C3)(C2)C(N)=O |r,wD:19.19,26.32,TLB:18:19:21:28.27.26,29:26:21:23.24.19,THB:27:22:19:28.26.25,27:26:21.22.23:19,25:26:21:23.24.19,25:24:21:28.27.26,(22.52,-11.86,;22.52,-10.32,;21.19,-9.55,;19.86,-10.32,;21.19,-8,;22.52,-7.23,;23.86,-8,;23.86,-9.55,;25.2,-10.31,;24.43,-11.65,;25.97,-11.65,;26.53,-9.54,;27.86,-10.31,;28.64,-11.64,;27.46,-11.79,;29.2,-9.54,;30.53,-10.31,;30.53,-11.85,;31.86,-9.53,;33.13,-10.41,;33.15,-11.9,;31.96,-13.18,;33.45,-12.75,;33.44,-11.17,;34.47,-9.93,;35.87,-10.5,;35.87,-12.03,;34.86,-13.31,;34.48,-12.38,;37.21,-12.78,;38.54,-11.99,;37.23,-14.32,)|
BDBM50448243 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCCC1
BDBM50448244 Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)CC(=O)NC1CCCCC1
BDBM50448713 OC12CC3CC(C1)C(NC(=O)c1scnc1[C@H]1CCCO1)C(C3)C2 |r,wD:16.17,TLB:8:7:22:23.1.2,6:1:7.5.4:22,THB:6:5:22:23.1.2,2:1:7:4.3.22,2:3:7:23.6.1,0:1:7:4.3.22,0:1:7.5.4:22,(30.03,-4.04,;28.49,-4.07,;28.53,-2.54,;27.14,-1.94,;26.07,-3.16,;26.05,-4.75,;27.45,-5.34,;24.55,-5.13,;23.22,-5.91,;21.88,-5.14,;21.88,-3.6,;20.55,-5.92,;19.32,-5,;18.06,-5.88,;18.51,-7.35,;20.05,-7.38,;20.94,-8.64,;20.45,-10.09,;21.68,-11.02,;22.94,-10.13,;22.48,-8.66,;25.76,-3.88,;25.78,-2.39,;27.08,-4.4,)|
BDBM50448714 CCc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.25,wD:15.16,5.4,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(2.25,-4.03,;2.55,-5.54,;4.01,-6.04,;4.46,-7.52,;6,-7.54,;6.88,-8.8,;6.39,-10.25,;7.62,-11.18,;8.88,-10.29,;8.43,-8.82,;6.5,-6.08,;5.27,-5.16,;7.83,-5.31,;7.82,-3.77,;9.16,-6.07,;10.49,-5.3,;11.99,-4.91,;12.02,-3.32,;13.08,-2.1,;11.72,-2.56,;11.71,-4.05,;13.03,-4.56,;14.43,-4.24,;15.97,-4.2,;14.47,-2.71,;13.4,-5.5,)|
BDBM50448715 Cc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,4.3,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(21.14,-50.48,;22.6,-50.98,;23.05,-52.45,;24.59,-52.47,;25.49,-53.73,;24.99,-55.19,;26.22,-56.11,;27.48,-55.22,;27.03,-53.75,;25.09,-51.02,;23.86,-50.09,;26.42,-50.24,;26.42,-48.7,;27.76,-51,;29.09,-50.23,;30.59,-49.84,;30.61,-48.25,;31.68,-47.04,;30.32,-47.49,;30.3,-48.98,;31.62,-49.49,;33.03,-49.17,;34.57,-49.14,;33.07,-47.64,;31.99,-50.43,)|
BDBM50448716 Cc1nc([C@@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,4.3,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(21.14,-50.48,;22.6,-50.98,;23.05,-52.45,;24.59,-52.47,;25.49,-53.73,;24.99,-55.19,;26.22,-56.11,;27.48,-55.22,;27.03,-53.75,;25.09,-51.02,;23.86,-50.09,;26.42,-50.24,;26.42,-48.7,;27.76,-51,;29.09,-50.23,;30.59,-49.84,;30.61,-48.25,;31.68,-47.04,;30.32,-47.49,;30.3,-48.98,;31.62,-49.49,;33.03,-49.17,;34.57,-49.14,;33.07,-47.64,;31.99,-50.43,)|
BDBM50448717 Cc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.22,wD:12.13,TLB:11:12:16:18.19.21,22:19:12.13.14:16,THB:22:13:16:18.19.21,21:19:12:14.15.16,21:15:12:18.22.19,20:19:12:14.15.16,20:19:12.13.14:16,(3.21,-51.31,;4.67,-51.81,;5.12,-53.29,;6.66,-53.31,;7.55,-54.57,;7.69,-56.11,;8.95,-55.22,;7.16,-51.85,;5.93,-50.93,;8.49,-51.08,;8.48,-49.54,;9.82,-51.84,;11.15,-51.07,;12.65,-50.68,;12.68,-49.09,;13.74,-47.87,;12.39,-48.33,;12.37,-49.82,;13.69,-50.33,;15.09,-50.01,;16.63,-49.97,;15.13,-48.48,;14.06,-51.27,)|
BDBM50448718 Cc1nc(c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)C(F)(F)F |r,wU:16.18,wD:9.9,TLB:8:9:13:15.16.18,19:16:9.10.11:13,THB:19:10:13:15.16.18,18:16:9:11.12.13,18:12:9:15.19.16,17:16:9:11.12.13,17:16:9.10.11:13,(51.25,-40.41,;52.71,-40.91,;53.16,-42.39,;54.7,-42.41,;55.2,-40.95,;53.97,-40.03,;56.53,-40.18,;56.53,-38.64,;57.87,-40.94,;59.2,-40.17,;60.7,-39.78,;60.72,-38.19,;61.79,-36.97,;60.43,-37.43,;60.41,-38.92,;61.73,-39.43,;63.14,-39.11,;64.68,-39.07,;63.18,-37.58,;62.1,-40.37,;55.59,-43.67,;54.94,-45.07,;57.12,-43.53,;56.34,-45,)|
BDBM50448719 CCCSc1nc(C)sc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.22,wD:13.13,TLB:12:13:17:19.20.22,23:20:13.14.15:17,THB:23:14:17:19.20.22,22:20:13:15.16.17,22:16:13:19.23.20,21:20:13:15.16.17,21:20:13.14.15:17,(43.22,-44.14,;41.69,-44.28,;40.8,-43.02,;39.27,-43.16,;38.38,-41.9,;36.84,-41.87,;36.39,-40.4,;34.94,-39.9,;37.65,-39.52,;38.88,-40.44,;40.21,-39.66,;40.21,-38.12,;41.55,-40.43,;42.88,-39.65,;44.38,-39.27,;44.4,-37.68,;45.47,-36.46,;44.11,-36.91,;44.1,-38.4,;45.41,-38.92,;46.82,-38.59,;48.36,-38.56,;46.86,-37.06,;45.78,-39.85,)|
BDBM50448720 Cc1nc(OC2COC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(2.83,-17.95,;4.28,-18.45,;4.74,-19.92,;6.28,-19.94,;7.16,-21.2,;6.51,-22.6,;5.07,-23.13,;5.6,-24.58,;7.04,-24.05,;6.77,-18.48,;5.54,-17.56,;8.11,-17.71,;8.1,-16.17,;9.44,-18.47,;10.77,-17.7,;12.27,-17.31,;12.3,-15.72,;13.36,-14.51,;12,-14.96,;11.99,-16.45,;13.3,-16.96,;14.71,-16.64,;16.25,-16.6,;14.75,-15.11,;13.67,-17.9,)|
BDBM50448721 Cc1nc(OC2CCC2)c(s1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(2.48,-39.25,;3.93,-39.75,;4.39,-41.22,;5.93,-41.24,;6.81,-42.5,;6.16,-43.9,;4.72,-44.43,;5.25,-45.88,;6.7,-45.35,;6.43,-39.78,;5.2,-38.86,;7.76,-39.01,;7.75,-37.47,;9.09,-39.77,;10.42,-39,;11.92,-38.61,;11.95,-37.02,;13.01,-35.81,;11.65,-36.26,;11.64,-37.75,;12.96,-38.26,;14.36,-37.94,;15.9,-37.9,;14.4,-36.41,;13.33,-39.2,)|
BDBM50448722 CC(C)Oc1nc(C)sc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.22,wD:13.13,TLB:12:13:17:19.20.22,23:20:13.14.15:17,THB:23:14:17:19.20.22,22:20:13:15.16.17,22:16:13:19.23.20,21:20:13:15.16.17,21:20:13.14.15:17,(57.11,-35.93,;56.23,-34.67,;54.69,-34.8,;56.88,-33.27,;55.99,-32.01,;54.45,-31.98,;54,-30.51,;52.54,-30.01,;55.26,-29.63,;56.49,-30.55,;57.82,-29.78,;57.81,-28.24,;59.16,-30.54,;60.49,-29.77,;61.99,-29.38,;62.01,-27.79,;63.07,-26.57,;61.72,-27.02,;61.7,-28.52,;63.02,-29.03,;64.43,-28.71,;65.97,-28.67,;64.46,-27.18,;63.39,-29.97,)|
BDBM50448723 Cc1nc(OCC(F)(F)F)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:22.24,wD:15.15,TLB:14:15:19:21.22.24,25:22:15.16.17:19,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(36.2,-29.53,;37.66,-30.03,;38.11,-31.5,;39.65,-31.53,;40.53,-32.79,;42.07,-32.65,;42.95,-33.91,;44.49,-33.77,;42.31,-35.31,;44.04,-35,;40.15,-30.07,;38.92,-29.15,;41.48,-29.29,;41.47,-27.75,;42.82,-30.06,;44.15,-29.28,;45.65,-28.9,;45.67,-27.31,;46.73,-26.09,;45.38,-26.54,;45.36,-28.03,;46.68,-28.55,;48.09,-28.22,;49.62,-28.19,;48.12,-26.69,;47.05,-29.48,)|
BDBM50448724 CCOc1nc(C)sc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:19.21,wD:12.12,TLB:11:12:16:18.19.21,22:19:12.13.14:16,THB:22:13:16:18.19.21,21:19:12:14.15.16,21:15:12:18.22.19,20:19:12:14.15.16,20:19:12.13.14:16,(26.15,-34.37,;25.26,-33.11,;23.73,-33.25,;22.84,-31.99,;21.3,-31.96,;20.85,-30.49,;19.4,-29.99,;22.11,-29.61,;23.34,-30.53,;24.67,-29.75,;24.67,-28.21,;26.01,-30.52,;27.34,-29.74,;28.84,-29.36,;28.86,-27.77,;29.93,-26.55,;28.57,-27,;28.55,-28.49,;29.87,-29.01,;31.28,-28.68,;32.82,-28.65,;31.32,-27.15,;30.24,-29.94,)|
BDBM50448725 Cc1nc(C)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:17.19,wD:10.10,TLB:9:10:14:16.17.19,20:17:10.11.12:14,THB:20:11:14:16.17.19,19:17:10:12.13.14,19:13:10:16.20.17,18:17:10:12.13.14,18:17:10.11.12:14,(2.32,-30.27,;3.78,-30.77,;4.23,-32.24,;5.77,-32.27,;6.66,-33.53,;6.27,-30.81,;5.04,-29.89,;7.6,-30.03,;7.6,-28.49,;8.94,-30.8,;10.27,-30.02,;11.77,-29.64,;11.79,-28.05,;12.86,-26.83,;11.5,-27.28,;11.48,-28.77,;12.8,-29.29,;14.21,-28.96,;15.75,-28.93,;14.25,-27.43,;13.17,-30.23,)|
BDBM50448726 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cncs1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:17:18.1.2,6:1:7.5.4:17,THB:6:5:17:18.1.2,2:1:7:4.3.17,2:3:7:18.6.1,0:1:7:4.3.17,0:1:7.5.4:17,(67.25,-18.85,;65.71,-18.88,;65.75,-17.35,;64.36,-16.75,;63.29,-17.97,;63.27,-19.56,;64.67,-20.14,;61.77,-19.94,;60.44,-20.72,;59.1,-19.95,;59.1,-18.41,;57.77,-20.73,;57.27,-22.19,;55.74,-22.16,;55.28,-20.69,;56.54,-19.81,;62.99,-18.69,;63,-17.2,;64.3,-19.21,)|
BDBM50448727 COc1ncsc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:9:10:14:16.17.19,20:17:10.11.12:14,THB:20:11:14:16.17.19,19:17:10:12.13.14,19:13:10:16.20.17,18:17:10:12.13.14,18:17:10.11.12:14,(41.93,-23.1,;42.58,-21.71,;41.7,-20.45,;40.16,-20.42,;39.7,-18.95,;40.97,-18.06,;42.2,-18.99,;43.53,-18.21,;43.52,-16.67,;44.86,-18.98,;46.19,-18.2,;47.69,-17.81,;47.72,-16.22,;48.78,-15.01,;47.42,-15.46,;47.41,-16.95,;48.73,-17.46,;50.13,-17.14,;51.67,-17.11,;50.17,-15.61,;49.1,-18.4,)|
BDBM50448728 COc1nc(C)sc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:18.20,wD:11.11,TLB:10:11:15:17.18.20,21:18:11.12.13:15,THB:21:12:15:17.18.20,20:18:11:13.14.15,20:14:11:17.21.18,19:18:11:13.14.15,19:18:11.12.13:15,(24.91,-23.44,;25.56,-22.04,;24.67,-20.78,;23.13,-20.76,;22.68,-19.28,;21.22,-18.78,;23.94,-18.4,;25.17,-19.32,;26.5,-18.55,;26.5,-17.01,;27.84,-19.31,;29.17,-18.54,;30.67,-18.15,;30.69,-16.56,;31.76,-15.34,;30.4,-15.8,;30.38,-17.29,;31.7,-17.8,;33.11,-17.48,;34.65,-17.44,;33.15,-15.95,;32.07,-18.74,)|
BDBM50448729 COc1c(cnn1C)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:10:11:15:17.18.20,21:18:11.12.13:15,THB:21:12:15:17.18.20,20:18:11:13.14.15,20:14:11:17.21.18,19:18:11:13.14.15,19:18:11.12.13:15,(6.08,-23.62,;6.73,-22.22,;5.84,-20.96,;6.34,-19.5,;5.11,-18.58,;3.85,-19.46,;4.3,-20.93,;3.38,-22.16,;7.67,-18.73,;7.67,-17.19,;9.01,-19.49,;10.34,-18.72,;11.84,-18.33,;11.86,-16.74,;12.93,-15.52,;11.57,-15.97,;11.55,-17.46,;12.87,-17.98,;14.28,-17.65,;15.82,-17.62,;14.32,-16.12,;13.24,-18.92,)|
BDBM50448730 C[C@H]1CN(C[C@@H](C)O1)c1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(n1)C1CCCC1 |r,wU:5.5,1.0,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,23:22:15:17.18.19,23:22:15.16.17:19,24:22:15:17.18.19,24:18:15:21.25.22,(24.87,-7.5,;26.2,-8.28,;27.53,-7.52,;28.85,-8.29,;28.86,-9.83,;27.52,-10.59,;27.51,-12.13,;26.19,-9.82,;30.19,-7.53,;30.19,-5.98,;31.52,-5.21,;32.85,-5.97,;34.19,-5.2,;34.18,-3.66,;35.52,-5.96,;36.85,-5.19,;38.35,-4.8,;38.38,-3.21,;39.44,-2,;38.08,-2.45,;38.07,-3.94,;39.38,-4.45,;40.79,-4.13,;42.33,-4.09,;40.83,-2.6,;39.75,-5.39,;32.86,-7.53,;31.52,-8.3,;34.13,-8.39,;34.17,-9.93,;35.65,-10.37,;36.52,-9.1,;35.58,-7.88,)|
BDBM50448731 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)|
BDBM50448732 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(59.78,-17.54,;58.24,-17.57,;58.28,-16.04,;56.89,-15.44,;55.82,-16.65,;55.8,-18.24,;57.2,-18.83,;54.3,-18.63,;52.97,-19.41,;51.63,-18.64,;51.63,-17.1,;50.3,-19.42,;49.07,-18.49,;47.81,-19.38,;46.35,-18.88,;45.03,-19.66,;43.7,-18.9,;42.37,-19.68,;42.38,-21.22,;43.72,-21.98,;45.06,-21.2,;48.26,-20.85,;49.8,-20.87,;50.7,-22.13,;50.83,-23.66,;52.09,-22.78,;55.52,-17.38,;55.53,-15.89,;56.83,-17.89,)|
BDBM50448733 O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(O[C@@H]4CCCO4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,15.15,TLB:8:7:26:27.1.2,6:1:7.5.4:26,THB:6:5:26:27.1.2,2:1:7:4.3.26,2:3:7:27.6.1,0:1:7:4.3.26,0:1:7.5.4:26,(39.73,-16.8,;38.19,-16.84,;38.23,-15.31,;36.84,-14.7,;35.78,-15.92,;35.75,-17.51,;37.16,-18.1,;34.25,-17.9,;32.92,-18.67,;31.59,-17.91,;31.58,-16.37,;30.26,-18.68,;29.03,-17.76,;27.77,-18.64,;26.31,-18.14,;25.07,-19.06,;25.08,-20.61,;23.62,-21.09,;22.71,-19.85,;23.6,-18.6,;28.22,-20.12,;29.76,-20.14,;30.65,-21.39,;30.78,-22.93,;32.04,-22.04,;35.47,-16.65,;35.49,-15.16,;36.79,-17.16,)|
BDBM50448734 COC[C@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,3.3,wD:17.18,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(1.68,-19.21,;3.13,-19.71,;4.29,-18.7,;5.75,-19.2,;6.05,-20.71,;6.91,-18.18,;8.37,-18.68,;8.82,-20.16,;10.36,-20.18,;11.25,-21.43,;11.39,-22.97,;12.65,-22.08,;10.86,-18.72,;9.63,-17.8,;12.19,-17.95,;12.18,-16.41,;13.53,-18.71,;14.86,-17.94,;16.36,-17.55,;16.38,-15.96,;17.44,-14.74,;16.09,-15.2,;16.07,-16.69,;17.39,-17.2,;18.8,-16.88,;20.34,-16.84,;18.84,-15.35,;17.76,-18.14,)|
BDBM29830 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CCc3ccccc23)C1
BDBM108085 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2nc(C)cn2n1 |r|
BDBM108086 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2nc(C)nn2c1 |r|
BDBM108088 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn2nc(C)nc2c1 |r|
BDBM108089 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|
BDBM108090 COc1nc2ccc(cn2n1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
BDBM108091 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2nccn2n1 |r|
BDBM108092 C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
BDBM108093 CC(C)[C@@]1(CC(C)(C)O)CCN([C@@H](C)c2ccc(cc2)-c2ccc3nc(C)nn3c2)C(=O)O1 |r|
BDBM108094 CC(C)(O)C[C@@]1(CCN([C@H]2CCCN(C2)c2ccc3ncnn3c2)C(=O)O1)c1ccccc1 |r|
BDBM13744 CC(C)C1(C)SC(N[C@@H](C)c2cccc(c2)C(F)(F)F)=NC1=O |r,c:20|
BDBM13754 C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
BDBM13750 CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
BDBM13751 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)F)c1ccccc1F |r,t:3|
BDBM13753 C[C@H](NC1=NC(=O)[C@@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
BDBM13747 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Cl)=NC1=O |r,c:17|
BDBM13749 CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
BDBM13743 CC(C)C1(C)SC(N[C@@H](C)c2ccc(cc2)C(F)(F)F)=NC1=O |r,c:20|
BDBM13748 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O |r,c:17|
BDBM13745 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |r,c:20|
BDBM13746 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
BDBM13742 CC(C)C1(C)SC(N[C@H](C)c2ccccc2)=NC1=O |r,c:16|
BDBM13741 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2)=NC1=O |r,c:16|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
BDBM13774 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NS(=O)(=O)c1ccccc1 |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,;.39,-6.1,;.39,-9.18,;-1.15,-7.64,;-1.92,-6.31,;-3.46,-6.31,;-4.23,-7.64,;-3.46,-8.98,;-1.92,-8.98,)|
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,)|
BDBM13738 CC(C)C1(C)SC(Nc2ccccc2C(F)(F)F)=NC1=O |c:18|
BDBM13740 CC(C)C1(C)SC(NCc2ccccc2)=NC1=O |c:15|
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,)|
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,)|
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,)|
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,)|
BDBM25902 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
BDBM22473 O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13|
BDBM22472 CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16|
BDBM22474 CCC1(CC)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13|
BDBM22471 O=C1N=C(NC2CCCCCCC2)SC11CCCC1 |t:2|
BDBM28371 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC(N)=O)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,1.51,;3.18,-.8,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM28373 CC(C)(C[C@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C(N)=O |r,wU:7.10,22.25,wD:4.3,22.26,(1.13,2.87,;1.84,1.51,;2.67,2.8,;.51,.73,;-.82,1.5,;-.82,3.05,;-2.16,3.82,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,1.51,;3.18,-.8,)|
BDBM28369 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;1.07,2.84,;2.61,2.84,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM28370 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCC(CC(N)=O)CC1)C(F)(F)F |r,wU:1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;1.84,3.05,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM28372 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CCC(N)=O)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,1.51,;3.18,-.8,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM28374 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C(N)=O)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;1.13,2.87,;2.67,2.8,;3.18,.74,;4.51,1.51,;3.18,-.8,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM22456 CCC1(C)SC(NC2CCCCCC2)=NC1=O |c:14|
BDBM22458 CCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:15|
BDBM22467 CCCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16|
BDBM22455 CCCC1(C)SC(NCC2CCCCC2)=NC1=O |c:15|
BDBM22457 CCCC1(C)SC(NC2CCCCCC2)=NC1=O |c:15|
BDBM22466 CCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:18,TLB:14:13:7.8:10,6:7:10:13.12.15,6:7:12:9.10.15,THB:8:7:12:9.10.15,8:9:7.14:12,14:7:10:13.12.15|
BDBM22461 CCCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:15|
BDBM22462 CCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:15|
BDBM22464 CCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:15,TLB:6:7:9.10:12.13|
BDBM22460 CCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:14|
BDBM22463 CCCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:16|
BDBM28365 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM22465 CCCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:16,TLB:7:8:10.11:13.14|
BDBM28363 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,2.28,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM22453 CCCC1(C)SC(NC2CCCCC2)=NC1=O |c:14|
BDBM22459 CCCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:16|
BDBM22468 CCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:19,TLB:16:7:14:10.11.12,THB:16:11:14:8.7.15,15:7:10:14.13.12,15:13:10:8.7.16,6:7:14:10.11.12|
BDBM22451 CCC1(C)SC(NC2CCCCC2)=NC1=O |c:13|
BDBM28364 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CC#N)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,2.28,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM22469 CCCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13|
BDBM28366 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM22470 CCC1(CC)SC(NC2CCCCCCC2)=NC1=O |c:16|
BDBM28375 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C#N)CC1)C(F)(F)F |r|
BDBM22475 O=C1N=C(NC23CC4CC(CC(C4)C2)C3)SC11CCCC1 |t:2,TLB:14:5:12:8.9.10,THB:14:9:12:6.5.13,13:5:8:12.11.10,13:11:8:6.5.14,4:5:12:8.9.10|
BDBM28376 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F |r|
BDBM28368 CC(C)(C[C@H]1CC[C@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N |r,wU:4.3,7.10,22.25,wD:22.26,(1.07,2.84,;1.84,1.51,;2.61,2.84,;.51,.73,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,-.03,)|
BDBM28367 CC(C)(C[C@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N |r,wU:7.10,22.25,wD:4.3,22.26,(1.07,2.84,;1.84,1.51,;2.61,2.84,;.51,.73,;-.82,1.5,;-.82,3.05,;-2.16,3.82,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,-.03,)|
BDBM29847 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCC2)n1
BDBM29831 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:21|
BDBM29844 CN1CCN(CC1)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
BDBM29845 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCSCC2)n1
BDBM22454 CCC1(C)SC(NCC2CCCCC2)=NC1=O |c:14|
BDBM28361 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
BDBM29840 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
BDBM29834 Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
BDBM29835 Fc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1
BDBM29843 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1
BDBM29837 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccn1
BDBM29832 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCc1ccccc21
BDBM29854 Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1
BDBM29855 Cc1cccc(NS(=O)(=O)c2cccc3ccccc23)n1
BDBM29857 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2)n1
BDBM29848 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(O)=O)n1
BDBM29849 Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
BDBM29860 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29846 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)n1
BDBM29863 CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29828 Fc1ccc2OC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)CC(=O)c2c1
BDBM29829 Clc1ccc(cc1)C1(CC1)C(=O)N1CCCC2(CCc3ccccc23)C1
BDBM29866 CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29856 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)n1
BDBM29858 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1
BDBM29833 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
BDBM29836 Clc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1
BDBM29838 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccncc1
BDBM29839 CC(C)(C(=O)N1CCC2(C1)CCCCC2)c1ccccc1
BDBM29852 COc1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
BDBM29853 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)n1
BDBM29864 Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29865 CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29850 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1
BDBM29851 Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
BDBM29859 Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
BDBM29861 CCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
BDBM29862 O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N
BDBM29841 CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
BDBM29842 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCOCC2)n1
BDBM32556 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C(F)(F)F
BDBM32573 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
BDBM32540 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM32543 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM50117900 CN1CCN(CC1)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
BDBM50117901 CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1
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
BDBM50192678 CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)NC(=O)C(C)(C)Oc1ccc(Cl)cc1
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,)|
BDBM50192680 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC2CC(C1)CC(C2)C(N)=O |TLB:21:22:28.29.30:25,31:29:23.22.27:25|
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
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
BDBM166726 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1(CCCC1)c1ccccc1 |r,TLB:17:16:1:11.5.4|
BDBM166727 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCCCCC1 |r,TLB:17:16:1:11.5.4|
BDBM166728 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC2CC1C=C2 |r,c:28,TLB:17:16:1:11.5.4|
BDBM166729 COC(=O)C1CCC(CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:25.27,wD:15.16,THB:10:12:26:17.23.24,(7.34,-3.85,;6,-3.08,;6,-1.54,;7.34,-.77,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.1,-2.1,;-4.67,,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-6,3.85,;-4.67,1.54,;-3.33,2.31,;-2,1.54,;-2,,;-1.15,-.49,;-3.33,.77,)|
BDBM166730 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1(CCCCC1)c1ccccc1 |r,TLB:16:15:1:10.4.3|
BDBM166731 CCOc1ccc2C[C@@H]3[C@H](C)[C@@](C)(CCN3C(=O)[C@@H]3COc4ccccc4O3)c2c1 |r,TLB:16:15:9:28.6.7|
BDBM166733 C[C@H]1[C@H]2Cc3ccc(OCC=C)cc3[C@]1(C)CCN2C(=O)[C@@H]1COc2ccccc2O1 |r,TLB:19:18:1:13.4.3|
BDBM166734 C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@@H]1COc2ccccc2O1 |r,TLB:15:14:1:9.4.3|
BDBM166735 COc1ccc2C[C@@H]3[C@H](C)[C@@](C)(CCN3C(=O)[C@H]3COc4ccccc4O3)c2c1 |r,TLB:15:14:8:27.5.6|
BDBM166738 C[C@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@H]1COc2ccccc2O1 |r,TLB:15:14:1:9.4.3|
BDBM166739 CC[C@]12CCN([C@H](Cc3ccc(O)cc13)C2)C(=O)C1COc2ccccc2O1 |r|
BDBM166741 CC1CCC(CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:22.24,wD:12.13,THB:7:9:23:14.20.21,(6.67,-2.41,;5.33,-1.64,;4,-2.41,;2.67,-1.64,;2.67,-.1,;4,.67,;5.33,-.1,;1.33,.67,;1.33,2.21,;,-.1,;,-1.64,;-1.33,-2.41,;-2.67,-1.64,;-3.44,-2.98,;-4,-.87,;-5.33,-1.64,;-6.67,-.87,;-6.67,.67,;-5.33,1.44,;-5.33,2.98,;-4,.67,;-2.67,1.44,;-1.33,.67,;-1.33,-.87,;-2.67,-.1,;-.4,-1.41,)|
BDBM166742 CC1CCCC(C1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,THB:7:9:23:14.20.21|
BDBM166743 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](O)CC1 |r,wU:3.18,22.25,19.21,wD:12.14,TLB:17:16:1:11.5.4,(-2.67,-.1,;-1.33,-.87,;-.4,-1.41,;-1.33,.67,;-2.67,1.44,;-4,.67,;-5.33,1.44,;-5.33,2.98,;-6.67,.67,;-6.67,-.87,;-5.33,-1.64,;-4,-.87,;-2.67,-1.64,;-3.44,-2.98,;-1.33,-2.41,;,-1.64,;,-.1,;1.33,.67,;1.33,2.21,;2.67,-.1,;2.67,-1.64,;4,-2.41,;5.33,-1.64,;6.67,-2.41,;5.33,-.1,;4,.67,)|
BDBM166744 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CC2CCC1CC2 |r,wU:3.18,wD:12.14,TLB:17:16:1:11.5.4,(-2,-.1,;-.67,-.87,;.27,-1.41,;-.67,.67,;-2,1.44,;-3.33,.67,;-4.67,1.44,;-4.67,2.98,;-6,.67,;-6,-.87,;-4.67,-1.64,;-3.33,-.87,;-2,-1.64,;-2.77,-2.98,;-.67,-2.41,;.67,-1.64,;.67,-.1,;2,.67,;2,2.21,;3.33,-.1,;3.33,-1.64,;4.67,-2.41,;6,-1.64,;6,-.1,;4.67,.67,;5.44,-.68,;4.12,-1.03,)|
BDBM166745 CC(C)C1CCC(CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:24.26,wD:14.15,THB:9:11:25:16.22.23,(7.34,-1.15,;6,-1.92,;6,-3.46,;4.67,-1.16,;3.33,-1.93,;2,-1.16,;2,.38,;3.33,1.15,;4.67,.38,;.67,1.15,;.67,2.69,;-.67,.38,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-4.1,-2.49,;-4.67,-.39,;-6,-1.16,;-7.34,-.39,;-7.34,1.15,;-6,1.92,;-6,3.46,;-4.67,1.15,;-3.33,1.92,;-2,1.15,;-2,-.39,;-3.33,.38,;-1.06,-.93,)|
BDBM166746 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:3.18,19.21,wD:12.14,22.25,TLB:17:16:1:11.5.4,(-2.67,-.1,;-1.33,-.87,;-.4,-1.41,;-1.33,.67,;-2.67,1.44,;-4,.67,;-5.33,1.44,;-5.33,2.98,;-6.67,.67,;-6.67,-.87,;-5.33,-1.64,;-4,-.87,;-2.67,-1.64,;-3.44,-2.98,;-1.33,-2.41,;,-1.64,;,-.1,;1.33,.67,;1.33,2.21,;2.67,-.1,;4,.67,;5.33,-.1,;5.33,-1.64,;6.67,-2.41,;4,-2.41,;2.67,-1.64,)|
BDBM166747 COC(=O)[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:25.27,7.10,4.3,wD:15.16,THB:10:12:26:17.23.24,(4.67,-3.85,;6,-3.08,;6,-1.54,;7.34,-.77,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.1,-2.1,;-4.67,,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-6,3.85,;-4.67,1.54,;-3.33,2.31,;-2,1.54,;-2,,;-3.33,.77,;-1.06,-.54,)|
BDBM166748 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:29:19:27:23.24.22,17:16:1:11.5.4,17:19:27:23.24.22,26:25:20:23.29.22,THB:29:23:27:20.19.28,24:23:20:27.25.28,24:25:20:23.29.22|
BDBM166749 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCC(CO)CC1 |r,wU:3.18,wD:12.14,TLB:17:16:1:11.5.4,(-2.67,.38,;-1.33,-.38,;-.4,-.93,;-1.33,1.15,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-6.67,1.15,;-6.67,-.38,;-5.33,-1.15,;-4,-.38,;-2.67,-1.15,;-3.44,-2.49,;-1.33,-1.93,;,-1.15,;,.38,;1.33,1.15,;1.33,2.69,;2.67,.38,;2.67,-1.15,;4,-1.92,;5.33,-1.15,;6.67,-1.93,;6.67,-3.47,;5.33,.38,;4,1.15,)|
BDBM166705 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)[C@@H]1COc2ccccc2O1 |r,TLB:16:15:1:10.4.3|
BDBM166706 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)[C@H]1COc2ccccc2O1 |r,TLB:16:15:1:10.4.3|
BDBM166707 COc1cccc2c1C[C@H]1N(CC[C@]2(C)C1(C)C)C(=O)C1CCCC1 |r,THB:18:10:15:6.7.8|
BDBM166708 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCCC1 |r,TLB:17:16:1:11.5.4|
BDBM166709 COc1c(cc2C[C@@H]3[C@H](C)[C@@](C)(CCN3C(=O)C3CCCC3)c2c1[N+]([O-])=O)[N+]([O-])=O |r,TLB:15:14:8:22.5.6|
BDBM166710 C[C@H]1[C@H]2Cc3cc(c(O)c(c3[C@]1(C)CCN2C(=O)C1CCCC1)[N+]([O-])=O)[N+]([O-])=O |r,TLB:16:15:1:10.4.3|
BDBM166711 COc1ccc2C[C@@H]3[C@H](C)[C@@](C)(CCN3C(=O)C3CCCC3)c2c1 |r,TLB:15:14:8:22.5.6|
BDBM166712 C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C(=O)C1CCCC1 |r,TLB:16:15:1:10.4.3|
BDBM166713 C[C@]12CCN([C@H](Cc3ccc(O)cc13)C2)C(=O)C1CCCC1 |r|
BDBM166714 COc1ccc2C[C@@H]3C[C@@](C)(CCN3C(=O)C3CCCC3)c2c1 |r|
BDBM166715 C[C@H]1[C@H]2Cc3cc(Cl)c(O)c(Cl)c3[C@]1(C)CCN2C(=O)C1CCCC1 |r,TLB:18:17:1:12.4.3|
BDBM166716 C[C@H]1[C@H]2Cc3ccc(O)c(Cl)c3[C@]1(C)CCN2C(=O)C1CCCC1 |r,TLB:17:16:1:11.4.3|
BDBM166717 C[C@]12CCN([C@H](Cc3ccc(O)c(Cl)c13)C2)C(=O)C1CCCC1 |r,THB:16:4:15:14.7.6|
BDBM166718 COC1CCCC(C1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,THB:8:10:24:15.21.22|
BDBM166719 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CC2CCC1C2 |r,TLB:17:16:1:11.5.4|
BDBM166720 COC(=O)[C@@H]1CC[C@@H](C1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,THB:9:11:25:16.22.23|
BDBM166721 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](C1)C(=O)N1CCCC1 |r,TLB:17:16:1:11.5.4|
BDBM166722 COC(=O)[C@H]1CCC[C@H](C1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,THB:10:12:26:17.23.24|
BDBM166723 CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)C1CCC(F)(F)CC1 |r,TLB:17:16:1:11.5.4|
BDBM166724 CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,THB:13:15:29:20.26.27|
BDBM166725 COC1CCC(CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:23.25,wD:13.14,THB:8:10:24:15.21.22,(6.67,-3.47,;6.67,-1.93,;5.33,-1.16,;4,-1.93,;2.67,-1.16,;2.67,.38,;4,1.15,;5.33,.38,;1.33,1.15,;1.33,2.69,;,.38,;,-1.15,;-1.33,-1.93,;-2.67,-1.15,;-3.44,-2.49,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-6.67,1.15,;-5.33,1.93,;-5.33,3.47,;-4,1.15,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;-.49,-.87,;-2.67,.38,)|
BDBM32574 C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
BDBM32542 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32575 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM50167725 COC(=O)Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C)co1
BDBM166750 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C |r,wU:25.27,4.3,wD:15.16,7.10,THB:10:12:26:17.23.24,(4.67,-3.85,;6,-3.08,;6,-1.54,;7.34,-.77,;4.67,-.77,;3.33,-1.54,;2,-.77,;2,.77,;3.33,1.54,;4.67,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.1,-2.1,;-4.67,,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-6,3.85,;-4.67,1.54,;-3.33,2.31,;-2,1.54,;-2,,;-3.33,.77,;-1.06,-.54,)|
BDBM167432 Fc1ccccc1CN1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:16:17:19:22.21.23,THB:16:17:22.24.23:19.20.26,21:22:17:19.20.26,21:20:17:22.24.23,24:22:19:17.25.26,24:25:19:22.21.23,(-6.47,-3.52,;-6.47,-1.98,;-7.81,-1.21,;-7.81,.33,;-6.47,1.1,;-5.14,.33,;-5.14,-1.21,;-3.8,-1.98,;-2.47,-1.21,;-2.47,.33,;-1.14,1.1,;.2,.33,;.2,-1.21,;1.53,-1.98,;2.86,-1.21,;2.86,.33,;4.2,-1.98,;5.53,-1.21,;5.32,.85,;4.56,2.19,;5.34,3.52,;6.88,3.51,;7.64,2.17,;6.86,.84,;7.81,.05,;6.43,.04,;5.26,2.13,;-1.14,-1.98,;-1.14,-3.52,;-2.47,-2.75,)|
BDBM167433 Cc1ccc(cc1)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O |TLB:15:16:18:21.20.22,THB:20:21:16:18.19.25,20:19:16:21.23.22,23:21:18:16.24.25,23:24:18:21.20.22,15:16:21.23.22:18.19.25,(-7.89,-3.9,;-6.55,-3.13,;-6.55,-1.59,;-5.22,-.82,;-3.89,-1.59,;-3.89,-3.13,;-5.22,-3.9,;-2.55,-.82,;-2.55,.72,;-1.22,1.49,;.11,.72,;.11,-.82,;1.45,-1.59,;2.78,-.82,;2.78,.72,;4.12,-1.59,;5.45,-.82,;5.45,1.25,;4.83,2.66,;5.74,3.9,;7.27,3.73,;7.89,2.32,;6.98,1.08,;7.84,.2,;6.47,.33,;5.52,2.53,;-1.22,-1.59,;-.45,-2.93,;-1.99,-2.93,)|
BDBM167434 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccc(F)cc4)S1(=O)=O)C(C3)C2 |TLB:6:5:31:9.7.8,6:7:31:5.4.30,THB:10:9:31:5.4.30,10:9:5.6.30:31.3.8,4:5:9:31.3.8,4:3:9:5.6.30,(6.04,5.23,;5.13,3.99,;3.6,4.16,;5.74,2.58,;7.27,2.41,;7.89,1,;7.84,-1.13,;6.47,-1,;5.52,1.21,;5.45,-2.15,;4.12,-2.92,;2.78,-2.15,;2.78,-.61,;1.45,-2.92,;.11,-2.15,;.11,-.61,;-1.22,.16,;-2.55,-.61,;-2.55,-2.15,;-3.89,-2.92,;-5.22,-2.15,;-6.55,-2.92,;-6.55,-4.46,;-7.89,-5.23,;-5.22,-5.23,;-3.89,-4.46,;-1.22,-2.92,;-.45,-4.25,;-1.99,-4.25,;5.45,-.07,;6.98,-.24,;4.83,1.34,)|
BDBM167435 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-5.71,-3.13,;-7.04,-3.9,;-8.38,-3.13,;-8.38,-1.59,;-7.04,-.82,;-7.04,.72,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)|
BDBM167436 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.30.8:6.5.29,1:3:9:6.5.29,THB:30:3:6:9.28.29,30:28:6:3.4.8,4:3:9:6.5.29,4:5:9:3.30.8,(8.38,3.66,;7.61,2.32,;8.38,.99,;6.07,2.32,;5.45,3.73,;3.92,3.9,;3.01,2.66,;3.63,1.25,;5.16,1.08,;3.63,-.82,;2.29,-1.59,;.96,-.82,;.96,.72,;-.37,-1.59,;-1.71,-.82,;-1.71,.72,;-3.04,1.49,;-4.37,.72,;-4.37,-.82,;-5.71,-1.59,;-7.04,-.82,;-8.38,-1.59,;-8.38,-3.13,;-7.04,-3.9,;-5.71,-3.13,;-3.04,-1.59,;-2.27,-2.93,;-3.81,-2.93,;4.65,.33,;3.7,2.53,;6.02,.2,)|
BDBM167437 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-5.04,-3.13,;-6.37,-3.9,;-7.71,-3.13,;-7.71,-1.59,;-9.04,-.82,;-6.37,-.82,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)|
BDBM167438 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:9:6.5.32,THB:33:3:6:9.31.32,33:31:6:3.4.8,4:3:9:6.5.32,4:5:9:3.33.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-6.37,-.82,;-6.37,.72,;-7.71,-1.59,;-7.71,-3.13,;-9.04,-3.9,;-6.37,-3.9,;-5.04,-3.13,;-3.71,-3.9,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)|
BDBM167439 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(F)cc(F)cc4F)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:6:9.31.32,THB:4:3:9:6.5.32,4:5:9:3.33.8,33:3:6:9.31.32,33:31:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)|
BDBM167440 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:1:3:6:9.32.33,10:9:6:3.4.8,10:9:3.34.8:6.5.33,THB:4:3:9:6.5.33,4:5:9:3.34.8,34:3:6:9.32.33,34:32:6:3.4.8,(9.32,3.3,;8.55,1.97,;9.32,.63,;7.01,1.97,;6.61,3.45,;5.13,3.85,;4.04,2.77,;4.44,1.28,;5.93,.88,;4.12,-.77,;2.79,-1.54,;1.46,-.77,;1.46,.77,;.12,-1.54,;-1.21,-.77,;-.87,.73,;-1.83,1.93,;-3.37,1.93,;-4.33,.73,;-3.99,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-7.99,-1.54,;-7.99,-3.08,;-9.32,-3.85,;-6.65,-3.85,;-5.32,-3.08,;-3.99,-3.85,;-2.6,-1.44,;-3.37,-2.77,;-1.83,-2.77,;5.31,.21,;4.7,2.53,;6.64,-.13,)|
BDBM167441 CN(CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |TLB:5:6:8:13.14.15,5:6:13.12.15:8.9.10,16:13:8:6.11.10,THB:14:13:6:8.9.10,14:9:6:13.12.15,12:13:8:6.11.10,12:11:8:13.14.15,(-1.26,.77,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-3.93,-.77,;-3.93,.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,)|
BDBM167442 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.32.8:6.5.31,1:3:6:9.30.31,THB:4:3:9:6.5.31,4:5:9:3.32.8,32:3:6:9.30.31,32:30:6:3.4.8,(9.27,3.3,;8.5,1.97,;9.27,.63,;6.96,1.97,;6.56,3.45,;5.08,3.85,;3.99,2.77,;4.39,1.28,;5.87,.88,;4.07,-.77,;2.74,-1.54,;1.4,-.77,;1.4,.77,;.07,-1.54,;-1.26,-.77,;-1.26,.77,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;5.25,.21,;4.65,2.53,;6.59,-.13,)|
BDBM167443 CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:21:22:24:29.30.31,21:22:29.28.31:24.25.26,32:29:24:22.27.26,THB:30:29:22:24.25.26,30:25:22:29.28.31,28:29:24:22.27.26,28:27:24:29.30.31,(.07,1.54,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,)|
BDBM167444 CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)|
BDBM167446 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC(=C)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.34.8:6.5.33,1:3:6:32.33.9,THB:1:3:6.5.33:9,4:3:6.5.33:9,4:5:3.34.8:9,34:3:6:32.33.9,34:32:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-2.67,2.72,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)|
BDBM167447 NC(=O)C12CC3CC(C1)C(NC(=O)CN1CC4(CC4)CN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.35.8:6.5.34,1:3:6:33.34.9,THB:1:3:6.5.34:9,4:3:6.5.34:9,4:5:3.35.8:9,35:3:6:33.34.9,35:33:6:3.4.8,(9.34,2.32,;7.85,2.72,;7.45,4.21,;6.76,1.63,;5.99,2.96,;4.45,2.96,;3.68,1.63,;4.45,.3,;5.99,.3,;4,-1.13,;2.67,-1.9,;1.33,-1.13,;1.33,.41,;,-1.9,;-1.33,-1.13,;-1.33,.41,;-2.67,1.18,;-1.9,2.52,;-3.44,2.52,;-4,.41,;-4,-1.13,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;5.37,-.34,;4.58,.96,;6.76,0,)|
BDBM167448 CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:8:9:11:16.17.18,8:9:16.15.18:11.12.13,19:16:11:14.13.9,THB:19:16:11.12.13:9,17:16:11.12.13:9,17:12:16.15.18:9,15:16:11:14.13.9,15:14:11:16.17.18,(-1.9,2.52,;-2.67,1.18,;-3.44,2.52,;-1.33,.41,;-1.33,-1.13,;,-1.9,;1.33,-1.13,;1.33,.41,;2.67,-1.9,;4,-1.13,;4.45,.3,;3.68,1.63,;4.45,2.96,;4.58,.96,;5.37,-.34,;6.76,0,;6.76,1.63,;5.99,2.96,;5.99,.3,;7.85,2.72,;9.34,2.32,;7.45,4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;-4,-1.13,;-4,.41,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,)|
BDBM32560 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1[N+]([O-])=O
BDBM32559 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1F
BDBM32572 C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
BDBM32530 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM32561 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
BDBM32539 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32544 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
BDBM32545 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
BDBM32546 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM32557 Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM50243595 CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
BDBM32552 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C
BDBM32549 FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32566 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1ncccc1C(F)(F)F
BDBM32536 CCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32550 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl
BDBM32567 CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
BDBM32537 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32553 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1Cl
BDBM32551 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
BDBM32538 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32570 CC1CN(CC(C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
BDBM32568 CCC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
BDBM32571 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
BDBM50174278 COc1ccc(cn1)-c1noc(n1)C12CCC(CC1)(CC2)c1nnc(-c2ccccc2C(F)(F)F)n1C
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
BDBM32499 CC1CCN(CC1)C(=O)c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1
BDBM32533 FC(F)(F)c1cccnc1N1CCN(Cc2ccccc2)CC1
BDBM32547 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
BDBM32534 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1
BDBM32531 FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1
BDBM32548 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
BDBM32518 CC1CCN(CC1)C(=O)c1cccc(n1)-c1ccccc1Cl
BDBM32535 CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32562 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM50167717 Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(co1)-c1ccccc1
BDBM50167718 FC(F)(F)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50167719 Cc1coc(NS(=O)(=O)c2cccc(Cl)c2CC(O)=O)n1
BDBM50167720 O=S(=O)(Nc1nc(co1)-c1ccc(cc1)-c1ccccc1)c1ccccc1
BDBM50167721 O=S(=O)(Nc1nc(co1)-c1ccccc1)c1ccccc1
BDBM50167722 Cc1coc(NS(=O)(=O)c2cccc(Cl)c2C)n1
BDBM50167723 Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(co1)-c1ccc(cc1)C#N
BDBM50167724 CN(C(C)=O)c1ccc(cc1)S(=O)(=O)Nc1nc(C)c(C)o1
BDBM32541 FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
BDBM32558 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
BDBM50066870 NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.88,3.25,;-18.7,2.03,;-19.66,1.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)|
BDBM50066871 CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.84,2.49,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)|
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,)|
BDBM32563 Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM32564 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM50192687 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CCCC1C[C@H](C2)C(O)=O |wU:21.25,wD:14.14,TLB:13:14:18.17.16:22.21.20,23:21:18.17.16:14,(2.25,-20.96,;.92,-20.19,;-.44,-20.94,;2.25,-19.42,;2.25,-17.88,;3.59,-17.11,;3.59,-15.57,;2.26,-14.8,;2.26,-13.26,;.92,-15.58,;.92,-17.11,;-.42,-19.42,;-.41,-17.88,;-1.75,-20.18,;-3.08,-19.42,;-4.1,-20.22,;-3.98,-21.97,;-4.8,-22.91,;-3.34,-22.85,;-3.32,-20.9,;-5.09,-20.91,;-6.2,-21.69,;-5.79,-20.22,;-7.54,-20.91,;-7.54,-19.37,;-8.88,-21.69,)|
BDBM50188385 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18|
BDBM50212550 Clc1ccc(cc1)C(=O)CCS(=O)(=O)c1ccccc1
BDBM50188391 COCCC1C(C(C(=O)c2ccc(OC)c(C)c2)C(=O)C1=O)c1ccc(Cl)cc1Cl
BDBM50179871 CN(c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1ccccc1
BDBM50224207 CC(C)c1sc(Nc2ccccc2F)nc1O
BDBM50224208 CC(C)c1sc(Nc2ccccc2Cl)nc1O
BDBM50224209 COc1ccccc1Nc1nc(O)c(s1)C(C)C
BDBM50224210 CC(C)c1sc(Nc2ccc(cc2)C2CCCCC2)nc1O
BDBM50224211 CC(C)c1sc(Nc2cccc3cnccc23)nc1O
BDBM50224212 CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O
BDBM50224213 CC(C)c1sc(Nc2ccccc2C)nc1O
BDBM50188386 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6ccccc6C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |c:14|
BDBM50188387 CC1(C)[C@@H](N)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 |t:19|
BDBM50188388 C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13|
BDBM50188389 COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC
BDBM50188390 CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)[C@@H]1CC3=O |c:12|
BDBM50195503 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCc1ccccc1 |wU:18.23,15.16,(32.12,-16.53,;30.78,-15.76,;30.78,-14.21,;32.11,-13.44,;29.44,-13.45,;28.11,-14.22,;28.11,-15.76,;29.45,-16.53,;29.45,-18.07,;26.78,-13.45,;26.78,-11.91,;25.45,-14.22,;24.11,-13.45,;23.35,-12.11,;22.58,-13.45,;25.45,-15.76,;26.78,-16.53,;26.78,-18.07,;25.44,-18.84,;24.11,-18.06,;24.11,-16.53,;25.43,-20.38,;24.1,-21.14,;26.76,-21.15,;26.76,-22.69,;28.09,-23.47,;28.07,-25.01,;29.4,-25.78,;30.74,-25.02,;30.74,-23.47,;29.41,-22.7,)|
BDBM50195504 CC12CC(CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(N)c(Cl)c1
BDBM50249080 Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
BDBM50249081 Cc1cccc(OCC(=O)NN=Cc2c(C)cc(O)cc2O)c1 |w:11.10|
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,)|
BDBM50239407 Clc1ccc(cc1)C1(CCC1)c1nnc2CCCCCCn12
BDBM50273398 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1 |r,t:3|
BDBM50273401 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(Br)cc1 |r,t:3|
BDBM50273403 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(Cl)cc1 |r,t:3|
BDBM50260910 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1
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,)|
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,)|
BDBM50210881 FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210882 FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210883 O=C(C1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210884 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210896 COc1cc(Cl)nc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210899 COc1cc(ccc1N)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210900 Fc1ccccc1C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210901 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2n(C)c1=O
BDBM50210902 COc1cc(ccc1C)C(=O)N1CCC(CC1)N1C(=O)Cc2ccccc12
BDBM50210903 O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccoc2c1
BDBM50210885 Cc1ccc(cc1F)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210886 Cc1ccc(cc1C)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210887 Cc1cccc(C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1C
BDBM50210888 COc1cccc(c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210889 CC(C)(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210890 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2sc1=O
BDBM50210891 FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210892 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2cccc(C)c2[nH]c1=O
BDBM50210893 CC(C)(C)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50210894 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50210895 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
BDBM50248469 C[C@@H]1CN(CC(F)(F)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248470 C[C@@H]1CN(CC(F)(F)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248471 C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248472 C[C@@H]1CN(CC2(CC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248566 C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248567 C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248568 C[C@@H]1CN(CC2(CC2)c2ccc(cc2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248569 C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
BDBM50210904 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(Cl)cc2n(C)c1=O
BDBM50210905 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccc(C)c(C)c2[nH]c1=O
BDBM50210906 O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccco1
BDBM50224200 CC(C)c1sc(Nc2ccc(F)cc2F)nc1O
BDBM50224201 CC(C)c1sc(Nc2ccc(F)cc2)nc1O
BDBM50224202 Oc1nc(Nc2ccccc2F)sc1C1CCCCC1
BDBM50224203 Oc1nc(Nc2ccccc2Cl)sc1C1CCCCC1
BDBM50224204 CC(C)c1sc(Nc2ccccn2)nc1O
BDBM50224205 CC(C)c1sc(Nc2c(Cl)cccc2Cl)nc1O
BDBM50224206 CC(C)c1sc(Nc2ccccc2)nc1O
BDBM50224214 CC(C)c1sc(Nc2ccc3n[nH]cc3c2)nc1O
BDBM50224215 CC(C)c1sc(Nc2cccc3[nH]ccc23)nc1O
BDBM50224216 Oc1nc(Nc2ccccc2Cl)sc1C1CCCC1
BDBM50224217 CC(C)c1sc(Nc2cc(F)ccc2F)nc1O
BDBM50224220 Cc1sc(Nc2ccccc2Cl)nc1O
BDBM50224221 Oc1nc(Nc2ccccc2F)sc1C1CCCC1
BDBM50224222 CC(C)c1sc(Nc2ccc(Cl)cc2Cl)nc1O
BDBM50224223 CC(C)c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1O
BDBM50224225 CC(C)c1sc(Nc2ccc3sc(C)nc3c2)nc1O
BDBM50195481 CCOC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.11,5.4,(3.32,-20.85,;4.65,-20.08,;5.98,-20.86,;7.32,-20.09,;8.65,-20.86,;7.32,-18.55,;8.66,-17.78,;8.67,-16.24,;7.33,-15.47,;6,-16.24,;5.99,-17.77,;7.33,-13.93,;6,-13.16,;5.23,-11.83,;4.46,-13.16,;8.67,-13.16,;8.67,-11.62,;10,-13.93,;11.33,-13.16,;12.66,-13.92,;13.99,-13.15,;12.67,-15.47,;14,-16.24,;11.33,-16.25,;11.33,-17.79,;10,-15.47,)|
BDBM50195482 C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1
BDBM50195483 CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
BDBM50202085 C[C@H](N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.22,wD:28.31,1.0,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,(19.54,-43.75,;19.58,-45.29,;20.93,-46.02,;20.92,-47.57,;22.25,-48.34,;23.59,-47.58,;23.59,-46.04,;22.26,-45.26,;24.89,-48.41,;24.81,-49.94,;26.11,-50.77,;27.48,-50.06,;27.54,-48.51,;26.24,-47.69,;28.78,-50.88,;30.09,-51.68,;27.97,-52.19,;29.6,-49.58,;18.27,-46.09,;18.31,-47.63,;16.91,-45.36,;15.6,-46.16,;15.54,-47.69,;14.48,-48.93,;13.09,-48.31,;13.14,-46.73,;14.23,-45.53,;12.86,-45.96,;12.82,-47.45,;11.5,-46.64,;11.58,-48.68,;14.13,-47.98,)|
BDBM50174285 CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174286 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1S(C)(=O)=O
BDBM50174287 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(=O)n(C)c1)-c1ccccc1C(F)(F)F
BDBM50174288 Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc([nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
BDBM50174289 C(C1CC1)c1noc(n1)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50174290 COc1cc(O)ccc1-c1nnc(n1C)C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1
BDBM50174291 COc1ccc(-c2nnc(n2C)C23CCC(CC2)(CC3)c2nc(no2)-c2ccc(F)cc2)c(Cl)c1
BDBM50174292 Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc(o1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
BDBM50174293 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1Cl
BDBM50174294 COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12
BDBM50243635 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)|
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,)|
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50067044 Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
BDBM50243596 C[C@](O)(c1ccc(cc1)C(=O)N(CC(F)(F)F)C1CCCCC1)C(F)(F)F |r|
BDBM50243631 CC(O)(c1ccc(cc1)C(=O)N(CC1CC1)C1CCCCC1)C(F)(F)F
BDBM50243632 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r|
BDBM50243633 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-6.04,-22.98,;-5.28,-21.65,;-6.62,-20.88,;-3.95,-22.42,;-3.95,-23.96,;-2.61,-24.73,;-1.28,-23.96,;-1.28,-22.41,;-2.62,-21.64,;.06,-24.73,;.06,-26.27,;1.39,-23.95,;1.39,-22.41,;2.15,-21.08,;.61,-21.08,;2.73,-24.72,;4.05,-23.95,;5.39,-24.73,;5.38,-26.27,;4.05,-27.04,;2.72,-26.27,;6.71,-27.04,;6.7,-28.58,;8.03,-29.35,;9.37,-28.58,;9.37,-27.04,;8.04,-26.27,;-4.51,-20.31,;-3.75,-18.97,;-3.17,-21.08,;-5.85,-19.55,)|
BDBM50243634 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,18.23,wD:1.1,(10.44,-24.23,;11.2,-22.89,;9.86,-22.12,;12.54,-23.66,;12.53,-25.2,;13.87,-25.98,;15.2,-25.2,;15.2,-23.65,;13.86,-22.89,;16.54,-25.97,;16.54,-27.51,;17.87,-25.2,;17.87,-23.66,;18.63,-22.32,;17.09,-22.33,;19.21,-25.97,;20.53,-25.2,;21.87,-25.97,;21.87,-27.51,;20.53,-28.28,;19.2,-27.51,;23.19,-28.28,;23.18,-29.82,;24.52,-30.59,;25.85,-29.83,;25.85,-28.28,;24.52,-27.51,;11.97,-21.56,;12.73,-20.21,;13.31,-22.32,;10.63,-20.79,)|
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,)|
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,)|
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,)|
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,)|
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,)|
BDBM50260823 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccc(F)cc1
BDBM50174282 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(c[nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
BDBM50174283 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F
BDBM50174284 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1C(F)(F)F
BDBM50252200 FC(F)(F)c1cccnc1N1CCN(C(=O)C1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
BDBM50252201 FC(F)(F)c1cccnc1N1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
BDBM50252202 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F |r|
BDBM50252203 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252243 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCOCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252244 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252245 CCN1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252246 CC(C)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50273404 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1 |r,t:3|
BDBM50273405 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1cccc(F)c1 |r,t:3|
BDBM50260908 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1
BDBM50260966 Cc1cn(c(n1)C1CC1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
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,)|
BDBM50202088 FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 |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,(8.07,-13.61,;6.75,-12.84,;5.97,-14.17,;7.54,-11.52,;5.43,-12.05,;4.08,-12.79,;2.76,-12,;2.8,-10.46,;4.14,-9.71,;5.45,-10.5,;1.48,-9.67,;.16,-10.46,;-1.18,-9.72,;-1.21,-8.17,;-2.58,-7.47,;-3.88,-8.3,;-3.8,-9.84,;-5.25,-7.6,;-6.54,-8.44,;-6.57,-9.97,;-7.97,-10.3,;-9.29,-9.79,;-10.5,-11.05,;-9,-10.65,;-7.6,-11.23,;-8.98,-9.07,;-7.93,-7.84,;-9.28,-8.31,;.1,-7.38,;1.45,-8.12,)|
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,)|
BDBM50260623 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1
BDBM50260624 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)cc1
BDBM50067028 COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
BDBM50248518 C[C@@H]1CN(CC2(CCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248519 C[C@@H]1CN(CC2(CCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248520 C[C@@H]1CN(CC2(CCCC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248521 C[C@@H]1CN(CC2(CCCC2)c2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
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,)|
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|
BDBM50248425 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CO)CC1 |r|
BDBM50244327 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC5CCCCO5)ccc34)[C@@H]1CC[C@@H]2O |r|
BDBM50243671 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.20,(9.71,-.15,;10.47,1.19,;9.13,1.96,;11.8,.42,;11.8,-1.12,;13.14,-1.9,;14.47,-1.12,;14.47,.43,;13.13,1.19,;15.81,-1.89,;15.81,-3.43,;17.14,-1.12,;17.14,.42,;17.9,1.76,;16.36,1.75,;18.48,-1.89,;19.8,-1.12,;21.14,-1.89,;21.13,-3.43,;22.46,-4.2,;19.8,-4.2,;18.47,-3.43,;11.24,2.52,;12,3.87,;12.58,1.76,;9.9,3.29,)|
BDBM50243672 C[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50017012 O=C(COCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
BDBM50017013 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(O)c1
BDBM50017014 CN(C)C(=O)c1ccc(COCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
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,)|
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,)|
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,)|
BDBM50167716 FC(F)(F)c1ccc(cc1)-c1coc(NS(=O)(=O)c2ccccc2)n1
BDBM50244328 Cc1ccc(cc1)S(=O)(=O)NN=C1C=C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,w:11.11,c:14,t:19|
BDBM50233538 CC1(C)[C@@H](O)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 |r,t:19|
BDBM50306411 O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC(Cc2ccccc2)C1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(31.28,3,;31.32,4.54,;30,5.35,;28.65,4.61,;28.64,3.08,;27.24,2.74,;25.92,3.23,;24.73,1.95,;26.22,2.37,;27.63,1.81,;26.22,3.96,;27.26,5.19,;25.91,4.71,;32.67,5.28,;32.7,6.81,;34.06,7.55,;35.37,6.73,;35.32,5.19,;36.63,4.38,;36.59,2.84,;35.23,2.12,;35.18,.58,;36.49,-.23,;37.85,.51,;37.89,2.04,;33.98,4.47,)|
BDBM50306412 O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(Cc2ccccc2)CC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(-3.99,-11.29,;-3.95,-9.75,;-5.26,-8.94,;-6.61,-9.68,;-6.62,-11.2,;-8.02,-11.55,;-9.34,-11.06,;-10.54,-12.34,;-9.04,-11.92,;-7.64,-12.48,;-9.05,-10.32,;-8.01,-9.1,;-9.36,-9.57,;-2.59,-9.01,;-1.29,-9.82,;.06,-9.1,;.11,-7.56,;1.47,-6.83,;2.78,-7.64,;2.72,-9.17,;4.03,-9.98,;5.39,-9.25,;5.43,-7.71,;4.12,-6.9,;-1.2,-6.75,;-2.56,-7.48,)|
BDBM50306416 O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC2(Cc3ccccc3C2)C1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(13.65,-21.08,;13.69,-19.54,;12.38,-18.73,;11.02,-19.47,;11.01,-21,;9.61,-21.35,;8.29,-20.85,;7.09,-22.13,;8.59,-21.71,;10,-22.28,;8.58,-20.12,;9.62,-18.89,;8.27,-19.37,;15.05,-18.8,;15.08,-17.27,;16.44,-16.53,;17.76,-17.35,;17.7,-18.89,;17.49,-20.42,;18.87,-21.09,;19.3,-22.57,;20.79,-22.94,;21.86,-21.82,;21.43,-20.35,;19.94,-19.98,;19.22,-18.63,;16.35,-19.62,)|
BDBM50306422 Cc1cccc2c1C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(41.31,-1.21,;40.08,-2.14,;40.27,-3.66,;39.05,-4.59,;37.64,-3.99,;37.45,-2.47,;38.68,-1.55,;38.18,-.09,;38.95,1.24,;40.49,1.24,;41.27,-.09,;41.27,2.58,;36.64,-.12,;36.19,-1.6,;36.13,-3.14,;34.78,-3.87,;33.47,-3.05,;33.5,-1.51,;34.87,-.78,;32.12,-3.79,;32.08,-5.33,;30.8,-2.98,;29.44,-3.72,;29.43,-5.25,;28.04,-5.6,;26.71,-5.1,;25.51,-6.38,;27.01,-5.96,;28.42,-6.53,;27.01,-4.37,;28.05,-3.14,;26.7,-3.62,)|
BDBM50306423 Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)|
BDBM50195498 COC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.8,12.15,(7.25,-36.24,;8.59,-35.48,;8.59,-33.94,;9.93,-33.17,;7.26,-33.16,;7.27,-31.62,;8.6,-30.86,;5.93,-30.85,;4.6,-31.61,;5.94,-29.31,;7.28,-28.54,;7.28,-26.99,;5.95,-26.23,;4.61,-27,;4.61,-28.53,;5.95,-24.69,;4.61,-23.92,;3.85,-22.58,;3.08,-23.92,;7.28,-23.92,;7.28,-22.38,;8.62,-24.69,;9.94,-23.92,;11.28,-24.68,;12.61,-23.9,;11.28,-26.23,;12.62,-27,;9.95,-27,;9.95,-28.54,;8.61,-26.23,)|
BDBM50195499 COc1ccccc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
BDBM50195500 Nc1c(Cl)cc(cc1Cl)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
BDBM50195501 Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCCC1
BDBM50195502 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC1CCCCC1 |wU:18.23,15.16,(.04,-25.21,;-1.3,-24.44,;-1.31,-22.89,;.03,-22.12,;-2.64,-22.13,;-3.97,-22.9,;-3.97,-24.44,;-2.64,-25.21,;-2.64,-26.75,;-5.3,-22.13,;-5.3,-20.59,;-6.64,-22.9,;-7.97,-22.13,;-8.74,-20.79,;-9.51,-22.13,;-6.64,-24.44,;-5.3,-25.21,;-5.31,-26.75,;-6.64,-27.52,;-7.97,-26.74,;-7.97,-25.21,;-6.65,-29.06,;-7.99,-29.82,;-5.32,-29.83,;-5.32,-31.37,;-3.99,-32.15,;-4.01,-33.69,;-2.68,-34.46,;-1.34,-33.7,;-1.34,-32.15,;-2.67,-31.38,)|
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,)|
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,)|
BDBM50207785 CCN1CCN(CC1)C(=O)C1CC2CCC1C2 |w:10.10,12.12,15.15,TEB:8:10:13.14:16|
BDBM50207786 O=C(N1CCc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
BDBM50195490 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC(O)=O |wU:15.16,18.23,(25.2,-26.37,;23.86,-25.6,;23.86,-24.05,;25.19,-23.27,;22.52,-23.29,;21.19,-24.06,;21.19,-25.6,;22.52,-26.37,;22.52,-27.91,;19.86,-23.29,;19.86,-21.75,;18.52,-24.06,;17.19,-23.29,;16.42,-21.95,;15.65,-23.29,;18.52,-25.6,;19.86,-26.36,;19.85,-27.91,;18.52,-28.68,;17.19,-27.9,;17.19,-26.37,;18.51,-30.22,;17.17,-30.98,;19.84,-30.99,;19.84,-32.53,;21.17,-33.31,;21.16,-34.85,;22.5,-32.54,)|
BDBM50195491 Nc1c(Cl)cc(cc1Cl)C(=O)N1CC2CC1CN(Cc1ccccc1)C2
BDBM50195492 C[C@@H]1C[C@@H](CCN1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
BDBM50195493 CN1CCN(CC1)C(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:9.9,12.16,(13.22,-48.19,;11.89,-47.41,;10.55,-48.17,;9.23,-47.4,;9.24,-45.86,;10.57,-45.09,;11.9,-45.87,;7.91,-45.09,;6.57,-45.85,;7.92,-43.55,;9.25,-42.78,;9.26,-41.24,;7.92,-40.47,;6.59,-41.24,;6.59,-42.77,;7.92,-38.93,;6.59,-38.16,;5.82,-36.82,;5.05,-38.16,;9.26,-38.16,;9.26,-36.62,;10.59,-38.93,;11.92,-38.16,;13.25,-38.92,;14.59,-38.15,;13.26,-40.47,;14.6,-41.24,;11.92,-41.24,;11.92,-42.78,;10.59,-40.47,)|
BDBM50195494 Nc1c(Cl)cc(cc1Cl)C(=O)N1CCCN(Cc2ccccc2)CCC1
BDBM50195495 C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)n1c2ccccc2oc1=O
BDBM50195496 C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1
BDBM50195497 C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ncccc1N
BDBM50248254 C[C@@H]1CN(Cc2ccnc3ccccc23)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
BDBM50248255 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)O |r|
BDBM50261050 CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50297905 CCN(CC)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50297906 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCCC1
BDBM50297907 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCC1
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|
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
BDBM50260967 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F
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,)|
BDBM50195296 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: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,(16.09,-26.72,;14.76,-25.94,;13.42,-26.7,;14.77,-24.41,;13.27,-24.83,;14.46,-23.55,;14.46,-22.07,;15.8,-21.59,;14.76,-22.82,;17.2,-22.17,;18.48,-21.32,;19.86,-22,;19.95,-23.54,;21.14,-21.15,;20.74,-19.66,;22.23,-20.05,;21.96,-22.46,;21.22,-23.82,;22.03,-25.12,;23.57,-25.08,;24.29,-23.72,;23.48,-22.4,;24.37,-26.38,;23.64,-27.73,;24.44,-29.04,;25.98,-29,;26.71,-27.65,;25.91,-26.33,;26.78,-30.32,;27.54,-31.64,;28.11,-29.53,;25.44,-31.07,;17.19,-23.7,;15.79,-24.04,;16.17,-24.97,)|
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,)|
BDBM50306417 O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc23)CC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(32.76,-22.58,;32.8,-21.03,;31.48,-20.22,;30.13,-20.96,;30.12,-22.49,;28.72,-22.84,;27.39,-22.35,;26.19,-23.63,;27.69,-23.21,;29.1,-23.77,;27.68,-21.61,;28.73,-20.38,;27.37,-20.86,;34.16,-20.29,;35.47,-21.11,;36.82,-20.38,;36.88,-18.83,;37.14,-17.31,;38.67,-17.1,;39.35,-18.48,;40.82,-18.9,;41.19,-20.38,;40.09,-21.45,;38.62,-21.03,;38.24,-19.55,;35.56,-18.02,;34.19,-18.75,)|
BDBM50306418 NC(=O)C1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:12:13:16:19.20.21,12:20:16:14.18.13,11:12:16.17.19:21,(3.34,-33.13,;2.01,-33.9,;2.01,-35.44,;.68,-33.14,;.63,-34.68,;-.72,-35.4,;-2.03,-34.59,;-2,-33.06,;-.63,-32.33,;-3.38,-35.33,;-3.42,-36.87,;-4.69,-34.52,;-6.04,-35.26,;-6.05,-36.78,;-7.45,-37.13,;-8.77,-36.64,;-9.97,-37.92,;-8.47,-37.5,;-7.07,-38.06,;-8.48,-35.9,;-7.44,-34.68,;-8.79,-35.16,;1.44,-31.8,;2.98,-31.79,;3.74,-30.45,;2.96,-29.12,;1.41,-29.14,;.66,-30.48,)|
BDBM50307106 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:13|
BDBM50307107 COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:14|
BDBM50306425 Cc1cccc2C(CC(O)=O)CC3(CCN(CC3)C(=O)NC3C4CC5CC(C4)CC3C5)c12 |TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(38.07,-13.73,;39.3,-12.81,;40.71,-13.41,;41.94,-12.48,;41.75,-10.96,;40.34,-10.37,;39.84,-8.91,;40.62,-7.57,;42.16,-7.57,;42.93,-8.91,;42.94,-6.23,;38.3,-8.94,;37.85,-10.41,;37.8,-11.95,;36.44,-12.68,;35.13,-11.87,;35.16,-10.33,;36.53,-9.6,;33.78,-12.61,;33.73,-14.15,;32.46,-11.8,;31.1,-12.54,;31.09,-14.07,;29.69,-14.42,;28.37,-13.92,;27.17,-15.2,;28.66,-14.78,;30.07,-15.35,;28.66,-13.19,;29.7,-11.96,;28.35,-12.44,;39.12,-11.29,)|
BDBM50306426 OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(4.21,-22.31,;3.43,-20.98,;4.21,-19.64,;1.89,-20.97,;1.12,-22.31,;-.42,-22.34,;-.87,-23.81,;-.93,-25.36,;-2.28,-26.09,;-3.59,-25.27,;-3.56,-23.73,;-2.2,-23,;-4.95,-26.01,;-4.99,-27.55,;-6.27,-25.2,;-7.62,-25.94,;-7.63,-27.47,;-9.03,-27.82,;-10.36,-27.33,;-11.56,-28.61,;-10.06,-28.19,;-8.65,-28.75,;-10.07,-26.59,;-9.02,-25.36,;-10.37,-25.84,;.39,-24.69,;.58,-26.21,;1.99,-26.81,;3.21,-25.88,;4.64,-26.48,;3.02,-24.36,;1.62,-23.77,)|
BDBM50306427 OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2cc(Cl)ccc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(23.83,-21.54,;23.06,-20.21,;23.83,-18.87,;21.51,-20.2,;20.74,-21.54,;19.2,-21.57,;18.75,-23.04,;18.69,-24.59,;17.34,-25.32,;16.03,-24.5,;16.06,-22.96,;17.42,-22.23,;14.67,-25.24,;14.63,-26.78,;13.36,-24.43,;12,-25.17,;11.99,-26.7,;10.59,-27.05,;9.26,-26.56,;8.06,-27.84,;9.56,-27.42,;10.97,-27.98,;9.55,-25.82,;10.6,-24.59,;9.25,-25.07,;20.01,-23.92,;20.2,-25.44,;21.61,-26.04,;21.8,-27.57,;22.84,-25.11,;22.65,-23.59,;21.24,-23,)|
BDBM50195505 CCOC(=O)c1cccnc1N1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
BDBM50195506 Nc1c(Cl)cc(cc1Cl)C(=O)N1C2CC3CC(C2)CC1C3 |TLB:20:19:15.14.13:17,THB:9:11:15.14.13:17,20:14:17:11.18.19,15:14:11:16.17.18,15:16:11:14.13.20|
BDBM50195507 C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(cn1)C(F)(F)F
BDBM50307108 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50307109 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50306434 OCCC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(39.7,-40.08,;38.93,-41.42,;37.38,-41.42,;36.61,-42.76,;35.07,-42.78,;34.62,-44.26,;34.56,-45.8,;33.21,-46.53,;31.9,-45.72,;31.93,-44.18,;33.29,-43.44,;30.54,-46.45,;30.5,-48,;29.22,-45.65,;27.87,-46.38,;27.86,-47.92,;26.46,-48.26,;25.13,-47.77,;23.93,-49.05,;25.43,-48.63,;26.84,-49.2,;25.42,-47.03,;26.47,-45.8,;25.12,-46.28,;35.88,-45.13,;37.11,-44.21,;38.52,-44.81,;38.71,-46.32,;37.48,-47.25,;36.07,-46.65,;34.83,-47.58,)|
BDBM50306429 OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)|
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,)|
BDBM50216907 CCC1(CC)OC(NC23CC4CC(CC(O)(C4)C2)C3)=NC1=O |c:21,TLB:7:8:11:16.13.14,15:14:11.12.18:9,THB:17:14:11:18.8.9,17:8:11:16.13.14,15:14:11:18.8.9,13:12:9:16.14.17,13:14:11.12.18:9|
BDBM50216908 CCC1(CC)OC(N[C@@H](C)c2ccc(Br)cc2)=NC1=O |c:17|
BDBM50216909 CC(C)C1(C)OC(NC23CC4CC(CC(O)(C4)C2)C3)=NC1=O |c:21,TLB:15:14:11.12.18:9,7:8:11:16.13.14,THB:15:14:11:18.8.9,17:14:11:18.8.9,17:8:11:16.13.14,13:12:9:16.14.17,13:14:11.12.18:9|
BDBM50216910 CC(C)C1(C)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(-1.08,-29.52,;.46,-29.4,;1.33,-30.67,;1.12,-28.01,;2.66,-28.14,;-.4,-27.79,;-.62,-26.32,;-1.96,-25.56,;-3.22,-26.43,;-3.23,-27.96,;-4.63,-28.3,;-5.96,-27.82,;-7.16,-29.09,;-5.66,-28.67,;-4.25,-29.24,;-5.67,-27.08,;-4.62,-25.85,;-5.97,-26.33,;.72,-25.55,;1.82,-26.64,;3.34,-26.39,)|
BDBM50216911 O=C1N=C(NC2C3CC4CC(C3)CC2C4)OC11CCCC1 |t:2,TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:5:6:9:12.13.14,5:13:9:7.11.6,4:5:9.10.12:14,(15.11,-27.99,;13.58,-28.24,;12.49,-27.15,;11.15,-27.92,;9.82,-27.16,;8.55,-28.03,;8.54,-29.56,;7.14,-29.9,;5.81,-29.42,;4.62,-30.69,;6.12,-30.27,;7.52,-30.84,;6.11,-28.68,;7.16,-27.45,;5.81,-27.93,;11.37,-29.39,;12.89,-29.62,;12.11,-30.95,;13.13,-32.1,;14.54,-31.48,;14.39,-29.95,)|
BDBM50248102 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1cccnc1)C(F)(F)F |r,wU:15.16,1.2,wD:1.1,18.25,(-8.46,-30.66,;-7.69,-29.32,;-6.92,-27.99,;-6.36,-30.09,;-6.36,-31.64,;-5.02,-32.41,;-3.69,-31.64,;-3.69,-30.09,;-5.03,-29.32,;-2.35,-32.4,;-2.35,-33.94,;-1.02,-31.63,;-1.02,-30.09,;-.26,-28.76,;-1.8,-28.76,;.31,-32.4,;1.64,-31.63,;2.98,-32.4,;2.97,-33.95,;1.64,-34.71,;.31,-33.94,;4.3,-33.16,;5.63,-32.38,;4.31,-34.72,;4.29,-36.26,;5.62,-37.03,;6.96,-36.27,;6.96,-34.73,;5.63,-33.95,;-9.03,-28.55,;-10.37,-27.78,;-9.8,-29.89,;-8.26,-27.22,)|
BDBM50248165 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)c1ccccn1)C(F)(F)F |r,wU:15.16,1.2,18.20,wD:1.1,(-8.95,-6.35,;-8.19,-5.02,;-7.42,-3.68,;-6.85,-5.79,;-6.86,-7.33,;-5.52,-8.1,;-4.19,-7.33,;-4.19,-5.78,;-5.53,-5.02,;-2.85,-8.1,;-2.85,-9.64,;-1.52,-7.33,;-1.52,-5.79,;-.75,-4.46,;-2.29,-4.46,;-.18,-8.09,;1.14,-7.32,;2.48,-8.1,;2.48,-9.64,;3.8,-8.86,;1.14,-10.41,;-.19,-9.64,;3.81,-10.41,;3.8,-11.96,;5.12,-12.73,;6.46,-11.97,;6.47,-10.43,;5.13,-9.65,;-9.53,-4.25,;-10.87,-3.48,;-10.3,-5.58,;-8.76,-2.91,)|
BDBM50248166 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](C)(O)CC1)C(F)(F)F |r,wU:1.2,15.16,18.21,wD:1.1,18.20,(7.89,-7.86,;8.66,-6.53,;9.43,-5.19,;9.99,-7.3,;9.99,-8.84,;11.32,-9.61,;12.66,-8.84,;12.66,-7.29,;11.32,-6.52,;14,-9.61,;14,-11.15,;15.33,-8.83,;15.33,-7.29,;16.09,-5.96,;14.55,-5.97,;16.66,-9.6,;17.99,-8.83,;19.32,-9.61,;19.32,-11.15,;20.65,-11.92,;20.65,-10.37,;17.99,-11.92,;16.66,-11.15,;7.32,-5.76,;5.98,-4.99,;6.55,-7.09,;8.09,-4.42,)|
BDBM50249525 CC1(C)CC(O)CC(C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1
BDBM50216912 CC1(OC(NC2CCCCCCC2)=NC1=O)C(F)(F)F |c:13|
BDBM50244255 CCOc1cc(C=NNC(N)=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(C)cc1 |w:6.5|
BDBM50248311 C[C@@H]1CN(Cc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
BDBM50216913 CC(C)C1(C)OC(N[C@H](C)c2ccccc2)=NC1=O |c:16|
BDBM50216914 CC(C)C1(C)OC(NC2CCCCCCC2)=NC1=O |c:16|
BDBM50216915 CC1(OC(NC2C3CC4CC(C3)CC2C4)=NC1=O)C(F)(F)F |c:17,TLB:11:10:14:7.6.5,11:6:9.10.12:14,THB:4:5:9.10.12:14,5:6:9:12.13.14,5:13:9:7.11.6,(17.02,-20.6,;15.48,-20.47,;13.96,-20.25,;13.74,-18.78,;12.4,-18.01,;11.14,-18.89,;11.13,-20.41,;9.72,-20.76,;8.39,-20.27,;7.2,-21.55,;8.7,-21.13,;10.11,-21.7,;8.69,-19.54,;9.74,-18.3,;8.39,-18.78,;15.08,-18,;16.18,-19.1,;17.7,-18.84,;15.1,-21.96,;14.71,-23.46,;16.59,-22.35,;13.6,-21.58,)|
BDBM50216916 CCC1(CC)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20|
BDBM50216917 CCC1(CC)OC(NC2CCCCCCC2)=NC1=O |c:16|
BDBM50216918 C[C@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1C(F)(F)F |t:3|
BDBM50216919 CCC1(CC)OC(NCc2ccccc2)=NC1=O |c:15|
BDBM50216920 CC(C)C1(C)OC(N[C@@H](C)c2ccccc2)=NC1=O |c:16|
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,)|
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,)|
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,)|
BDBM50197415 CC(=O)NS(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2 |w:9.9,11.11,28.30,wU:13.14,wD:7.6,TLB:10:11:8.9.29:30,THB:13:11:8:29.28.30,13:28:8:12.10.11,14:13:8.9.29:30,TEB:10:9:30:12.11.13,29:28:12:8.9.10,(15.58,-15.26,;17.07,-15.66,;18.16,-14.58,;17.46,-17.15,;18.95,-17.55,;19.36,-16.07,;18.55,-19.04,;20.45,-17.97,;19.25,-19.24,;20.75,-18.82,;22.16,-19.39,;23.17,-18.11,;21.78,-18.46,;23.18,-16.58,;24.47,-15.73,;25.85,-16.42,;25.94,-17.95,;27.13,-15.57,;26.31,-14.26,;27.94,-16.87,;28.46,-14.79,;29.8,-15.55,;29.8,-17.08,;31.14,-17.84,;32.47,-17.06,;33.81,-17.82,;32.45,-15.51,;31.12,-14.76,;21.79,-16,;20.75,-17.23,;20.44,-16.48,)|
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,)|
BDBM50260667 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(OC(F)(F)F)cc1
BDBM50260668 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1OC(F)(F)F
BDBM50207787 O=C(N1CCC2CCCCC2C1)C12CC3CC(CC(C3)C1)C2 |w:5.4,10.11,TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
BDBM50207788 O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
BDBM50207789 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(Cc3ccccc3)CC1)C2 |w:11.11,9.10,TLB:4:7:14:10.11.12,4:7:14.9.10:12,31:7:14:10.11.12,THB:8:9:12:15.7.31,8:7:14.9.10:12,31:11:14:15.8.7,TEB:10:9:15:11.12.31,10:11:15:14.9.8|
BDBM50207793 CCN1CCN(CC1)C(=O)C1CC1
BDBM50207794 CCN1CCN(CC1)C(=O)CCC1CCCCC1
BDBM50207795 O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
BDBM50207796 CCN1CCN(CC1)C(=O)C(C)(C)C
BDBM50207797 CCN1CCN(CC1)C(=O)Cc1ccccc1
BDBM50207798 O=C(N1CCN(CC1)C(C#N)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |w:8.9,TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
BDBM50207799 O=C(C1C2CC3CC(C2)CC1C3)N1CCCCC1 |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,(-2.71,-12.37,;-2.71,-10.82,;-1.37,-10.06,;.07,-10.4,;1.03,-11.87,;.98,-10.31,;1.86,-9.08,;.86,-7.79,;.87,-9.23,;-.62,-7.41,;-1.52,-8.63,;-.57,-9.94,;-4.04,-10.05,;-5.37,-10.81,;-6.7,-10.05,;-6.7,-8.51,;-5.37,-7.73,;-4.04,-8.51,)|
BDBM50207800 CN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:12:13:10.11.16:17,THB:12:11:17:18.13.14,14:13:10:16.15.17,14:15:10:18.12.13|
BDBM50207801 CCN1CCN(CC1)C(=O)C1=C(C)c2ccccc2C1 |c:11|
BDBM50207802 CCN1CCN(CC1)C(=O)C1CCCCC1
BDBM50207803 O=C(N1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:16.17.22:23,THB:18:17:23:24.19.20,20:19:16:22.21.23,20:21:16:24.18.19|
BDBM50260936 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1
BDBM50260938 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1
BDBM50248372 CC(F)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r|
BDBM50248373 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)F |r|
BDBM50212523 CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1
BDBM50248427 C[C@@H]1CN(CCc2cccnc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248428 C[C@@H]1CN(CCc2ccccn2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50212545 CCC(=O)CS(=O)(=O)c1ccccc1
BDBM50212546 FC(F)(F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1
BDBM50212547 Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)c(C)c1
BDBM50212524 O=C(N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
BDBM50212525 Fc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212526 COc1ccc(OC)c(c1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212527 Brc1ccc(cc1)C(=O)CCS(=O)(=O)c1ccccc1
BDBM50212528 Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
BDBM50212529 O=C(CS(=O)(=O)c1ccccc1)c1ccc(s1)-c1ccccc1
BDBM50212530 Cc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212531 Clc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212522 CCOC(=O)CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1
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,)|
BDBM50185127 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)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O |r,t:18|
BDBM50224224 CC(C)c1sc(Nc2ccncc2)nc1O
BDBM50202101 CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.21,-25.66,;-2.13,-27.19,;-.76,-27.9,;-.73,-29.44,;.61,-30.18,;1.93,-29.39,;1.9,-27.85,;.55,-27.1,;3.25,-30.19,;3.21,-31.72,;4.53,-32.52,;5.88,-31.77,;5.91,-30.23,;4.59,-29.44,;7.2,-32.57,;8.52,-33.34,;6.42,-33.89,;7.99,-31.25,;-3.42,-28.03,;-3.35,-29.57,;-4.79,-27.33,;-6.09,-28.16,;-6.12,-29.69,;-7.52,-30.02,;-8.84,-29.51,;-10.18,-28.74,;-8.83,-28.03,;-7.48,-27.57,;-8.53,-28.79,;-8.54,-30.37,;-8.56,-31.91,;-7.15,-30.96,;-10.05,-30.78,)|
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,)|
BDBM50202103 CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](O)(C2)C3 |r,wU:22.23,30.33,wD:25.27,TLB:32:30:27:24.23.22,22:23:33:29.28.27,22:28:33:24.32.23,21:22:33.30.29:27,31:30:27:24.23.22,THB:32:23:33.30.29:27,(-1.75,-43.94,;-2.61,-42.66,;-3.47,-41.38,;-1.34,-41.79,;.03,-42.5,;1.32,-41.67,;1.25,-40.13,;-.12,-39.43,;-1.42,-40.26,;2.57,-39.35,;3.91,-40.11,;5.24,-39.32,;5.22,-37.78,;3.87,-37.03,;2.55,-37.81,;6.55,-37,;7.85,-36.2,;7.34,-38.32,;5.76,-35.67,;-3.9,-43.52,;-3.87,-45.06,;-5.25,-42.77,;-6.57,-43.57,;-6.65,-45.09,;-8.06,-45.38,;-9.36,-44.83,;-10.68,-44.01,;-9.3,-43.34,;-7.93,-42.93,;-9.03,-44.11,;-9.09,-45.7,;-9.16,-47.23,;-7.72,-46.32,;-10.61,-46.05,)|
BDBM50052665 O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:11.12.17,THB:13:12:18:19.14.15,15:16:11:19.14.13,15:14:11:18.16.17|
BDBM50216924 O=C1N=C(NC2CCCCCC2)OC11CCOCC1 |t:2|
BDBM50216925 CCC1(CC)OC(NC2Cc3ccccc3C2)=NC1=O |c:18|
BDBM50216926 C[C@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 |t:3|
BDBM50216927 CCC1(CC)OC(N[C@@H](C)c2ccccc2)=NC1=O |c:16|
BDBM50216928 O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC11CCOCC1 |t:2,TLB:4:5:8:12.10.11,THB:13:11:8:14.5.6,13:5:8:12.10.11,10:9:6:12.11.13,10:11:8.9.14:6|
BDBM50216929 CCC1(CC)OC(NCCc2ccccc2)=NC1=O |c:16|
BDBM50216930 O=C1N=C(NC2CCCCCC2)OC11CCN(Cc2ccccc2)CC1 |t:2|
BDBM50216931 CCC1(CC)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O |c:20,TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(30.39,-21.27,;29.73,-19.88,;28.2,-19.75,;27.53,-21.14,;26,-21.26,;26.67,-19.52,;26.45,-18.06,;25.12,-17.29,;23.85,-18.17,;23.84,-19.69,;22.44,-20.04,;21.11,-19.55,;19.92,-20.83,;21.42,-20.41,;22.83,-20.98,;21.41,-18.82,;22.46,-17.58,;21.11,-18.06,;27.79,-17.28,;28.89,-18.38,;30.41,-18.12,)|
BDBM50216921 O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC11CCCC1 |t:2,TLB:4:5:8:12.10.11,THB:13:11:8:14.5.6,13:5:8:12.10.11,10:9:6:12.11.13,10:11:8.9.14:6|
BDBM50216922 CC(C)C1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |c:20|
BDBM50216923 CC[C@H](NC1=NC(=O)C(CC)(CC)O1)c1ccccc1 |t:4|
BDBM50216900 C[C@@H](NC1=NC(=O)C2(CCN(Cc3ccccc3)CC2)O1)c1ccccc1 |t:3|
BDBM50216901 O=C1N=C(NC2CCCCCCC2)OC11CCCC1 |t:2|
BDBM50216902 CCC1(CC)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9|
BDBM50216903 CC(C)C1(C)OC(NC2CCCCCC2)=NC1=O |c:15|
BDBM50216904 CC(C)C1(C)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:7:8:11:15.13.14,THB:16:14:11:17.8.9,16:8:11:15.13.14,13:12:9:15.14.16,13:14:11.12.17:9|
BDBM50216905 CCC1(CC)OC(N[C@@H](CO)c2ccccc2)=NC1=O |c:17|
BDBM50216906 CCC1(CC)OC(N[C@@H](C)c2ccc(OC)cc2)=NC1=O |c:18|
BDBM50252154 FC(F)(F)c1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
BDBM50252155 Fc1ccc(N2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(c1)C(F)(F)F
BDBM50297204 COc1ccc(cc1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1 |c:15|
BDBM50297205 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1 |c:17|
BDBM50297206 Cc1ccc(cc1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1 |c:14|
BDBM50297207 CCc1ccc(cc1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1 |c:15|
BDBM50297208 Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCC=C(CC1)c1ccccc1 |c:15|
BDBM50297209 Cc1ccc(cc1)S(=O)(=O)N1CCCC(=CC1)c1ccccc1 |c:15|
BDBM50297210 COc1ccc(cc1)S(=O)(=O)N1CCCC(=CC1)c1ccccc1 |c:16|
BDBM50297211 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(=CC1)c1ccccc1 |c:18|
BDBM50297212 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
BDBM50297213 CCc1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
BDBM50297214 OC1(CCCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
BDBM50297215 COc1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
BDBM50297216 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(C)(O)CC1
BDBM50297217 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)C1CC1
BDBM50297218 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(O)CC1
BDBM50297219 COC1(C)CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM50297220 COC1CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM50297221 COC1(CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C1CC1
BDBM50297222 COC1(CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
BDBM50266759 Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
BDBM50202100 CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@@]3(O)CC1C[C@@](F)(C2)C3 |r,wU:21.22,24.26,wD:29.32,TLB:21:22:32:26.27.28,21:27:32:31.23.22,20:21:32.24.26:28,THB:23:24:28:31.22.21,23:22:32.24.26:28,25:24:28:31.22.21,(19.28,-5.83,;19.3,-7.37,;20.64,-8.12,;20.63,-9.67,;21.96,-10.44,;23.3,-9.68,;23.3,-8.14,;21.97,-7.36,;24.6,-10.51,;24.52,-12.04,;25.82,-12.87,;27.19,-12.16,;27.25,-10.61,;25.95,-9.79,;28.49,-12.98,;29.79,-13.78,;27.67,-14.29,;29.31,-11.68,;17.98,-8.16,;18.01,-9.7,;16.63,-7.42,;15.31,-8.21,;15.23,-9.74,;14.16,-10.97,;12.79,-10.34,;12.72,-11.88,;12.85,-8.76,;13.95,-7.57,;12.58,-7.99,;12.52,-9.47,;11.16,-8.87,;13.82,-10.02,;11.27,-10.69,)|
BDBM50207756 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1)C2 |w:11.11,9.10,TLB:4:7:14:10.11.12,4:7:14.9.10:12,34:7:14:10.11.12,THB:8:9:12:15.7.34,8:7:14.9.10:12,34:11:14:15.8.7,TEB:10:9:15:11.12.34,10:11:15:14.9.8|
BDBM50207757 CCN1CCN(CC1)C(=O)C1CCC(CC1)C(C)(C)C |(13.25,-25.45,;13.26,-26.99,;14.59,-27.75,;14.59,-29.29,;15.92,-30.05,;17.25,-29.29,;17.25,-27.75,;15.92,-26.97,;18.58,-30.06,;18.58,-31.6,;19.92,-29.29,;21.25,-30.07,;22.58,-29.31,;22.59,-27.76,;21.26,-26.99,;19.91,-27.75,;23.93,-27,;25.25,-26.22,;24.7,-28.33,;23.15,-25.67,)|
BDBM50207758 CC(C)C(C#N)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |w:3.3,TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
BDBM50207759 CCN1CCN(CC1)C(=O)c1ccccc1
BDBM50207760 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CCO)CC1)C2 |w:9.9,11.11,TLB:4:7:14:10.11.12,4:7:14.9.10:12,27:7:14:10.11.12,THB:8:7:14.9.10:12,27:11:14:15.8.7,TEB:8:9:12:15.7.27,10:11:15:14.9.8|
BDBM50202104 CO[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:8.9,wD:2.1,TLB:5:4:32:7.6.8,5:6:3.4.31:32,THB:8:6:3:31.30.32,8:30:3:7.5.6,9:8:3.4.31:32,(-11.76,-8.87,;-10.48,-7.77,;-8.89,-8.33,;-10.15,-9.55,;-8.63,-9.2,;-7.25,-9.82,;-6.18,-8.59,;-7.59,-8.88,;-6.1,-7.07,;-4.78,-6.27,;-3.43,-7.02,;-3.41,-8.56,;-2.11,-6.23,;-2.14,-4.69,;-.77,-6.98,;-.78,-8.53,;.54,-9.3,;1.88,-8.54,;1.89,-6.99,;.55,-6.21,;3.18,-9.36,;3.11,-10.9,;4.41,-11.72,;5.78,-11.01,;5.84,-9.47,;4.54,-8.65,;7.08,-11.84,;8.38,-12.64,;6.26,-13.14,;7.9,-10.54,;-7.47,-6.43,;-8.56,-7.61,;-8.84,-6.84,)|
BDBM50202105 Clc1ccc(cc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:14:15:19.20.22:24,15:16:19:22.23.24,15:23:19:17.21.16,(23.9,-3.58,;22.58,-2.79,;21.23,-3.53,;19.91,-2.74,;19.94,-1.2,;21.28,-.45,;22.6,-1.24,;18.62,-.4,;17.3,-1.2,;15.96,-.46,;15.93,1.09,;14.56,1.8,;13.26,.96,;13.34,-.58,;11.89,1.66,;10.6,.83,;10.57,-.7,;9.17,-1.03,;7.84,-.53,;6.63,-1.79,;8.14,-1.39,;9.54,-1.97,;8.15,.2,;9.21,1.42,;7.85,.96,;17.24,1.89,;18.59,1.14,)|
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,)|
BDBM50202096 CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@]3(O)CC1C[C@](F)(C2)C3 |r,wU:21.22,29.32,wD:24.26,TLB:31:29:26:23.22.21,21:22:32:28.27.26,21:27:32:23.31.22,20:21:32.29.28:26,30:29:26:23.22.21,THB:31:22:32.29.28:26,(-2.15,-14.64,;-2.13,-16.18,;-.79,-16.93,;-.8,-18.48,;.53,-19.25,;1.87,-18.48,;1.87,-16.94,;.54,-16.16,;3.17,-19.31,;3.09,-20.85,;4.39,-21.67,;5.76,-20.96,;5.82,-19.41,;4.52,-18.6,;7.06,-21.79,;8.37,-22.59,;6.25,-23.09,;7.88,-20.48,;-3.45,-16.97,;-3.42,-18.51,;-4.79,-16.22,;-6.12,-17.02,;-6.19,-18.54,;-7.6,-18.83,;-8.91,-18.28,;-10.27,-17.67,;-8.85,-16.79,;-7.48,-16.38,;-8.58,-17.56,;-8.64,-19.15,;-8.71,-20.68,;-7.27,-19.77,;-10.16,-19.5,)|
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,)|
BDBM50297203 COc1ccc(cc1)C(=O)N1CCCC(CC1)c1ccccc1
BDBM50247925 C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r|
BDBM50252313 COC(=O)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252314 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCNCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252315 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CC[C@@H](O)C1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252316 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50248066 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(-8.49,-19.4,;-7.72,-18.07,;-6.95,-16.73,;-6.39,-18.84,;-6.39,-20.38,;-5.06,-21.15,;-3.72,-20.38,;-3.72,-18.83,;-5.06,-18.07,;-2.38,-21.15,;-2.38,-22.69,;-1.05,-20.38,;-1.05,-18.84,;-.29,-17.51,;-1.83,-17.51,;.28,-21.15,;1.61,-20.37,;2.94,-21.15,;2.94,-22.69,;1.61,-23.46,;.28,-22.69,;4.27,-23.46,;5.6,-22.7,;6.93,-23.48,;6.93,-25.02,;5.59,-25.78,;4.26,-25.01,;8.26,-25.8,;9.58,-26.58,;-9.06,-17.3,;-10.4,-16.53,;-9.83,-18.63,;-8.29,-15.96,)|
BDBM50248067 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccccc1)C(F)(F)F |r,wU:15.16,1.2,wD:1.1,18.25,(5.37,-19.64,;6.13,-18.3,;6.9,-16.97,;7.46,-19.07,;7.46,-20.62,;8.8,-21.39,;10.13,-20.61,;10.13,-19.06,;8.79,-18.3,;11.47,-21.38,;11.47,-22.92,;12.8,-20.61,;12.8,-19.07,;13.56,-17.74,;12.02,-17.74,;14.14,-21.38,;15.46,-20.61,;16.8,-21.38,;16.79,-22.93,;15.46,-23.69,;14.13,-22.92,;18.12,-22.14,;19.45,-21.36,;18.13,-23.7,;19.45,-22.93,;20.79,-23.71,;20.78,-25.25,;19.44,-26.01,;18.11,-25.24,;4.79,-17.53,;3.45,-16.76,;4.02,-18.87,;5.56,-16.2,)|
BDBM50249501 Cc1cc(O)cc(O)c1C=NNC(=O)C1COc2ccccc2O1 |w:10.11|
BDBM50174295 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F)-c1ccccc1C(F)(F)F
BDBM50174296 Cn1c(nnc1C12CCC(CC1)(CC2)c1noc(n1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
BDBM50174297 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1F)-c1ccccc1C(F)(F)F
BDBM50174298 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F
BDBM50174299 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)C(O)C(F)(F)F)-c1ccccc1C(F)(F)F
BDBM50174300 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1OC(F)F
BDBM50174301 Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1cccc(c1)S(C)(=O)=O)-c1ccccc1C(F)(F)F
BDBM50252370 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(C1)C(O)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50248020 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(23.78,1.56,;24.55,2.9,;25.32,4.24,;25.88,2.13,;25.88,.59,;27.21,-.18,;28.55,.59,;28.55,2.14,;27.21,2.9,;29.89,-.18,;29.89,-1.72,;31.22,.59,;31.22,2.13,;31.98,3.46,;30.44,3.46,;32.55,-.18,;33.88,.59,;35.21,-.18,;35.21,-1.72,;33.88,-2.49,;32.55,-1.72,;36.54,-2.5,;36.53,-4.04,;37.86,-4.81,;39.2,-4.05,;39.2,-2.51,;37.87,-1.73,;23.21,3.67,;21.87,4.44,;22.44,2.34,;23.98,5.01,)|
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|
BDBM50154511 Clc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1
BDBM50252369 COC(=O)C1CCN(C1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
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,)|
BDBM50193797 NC(=O)[C@@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCC(Cc2ccccc2)C1=O |wU:9.15,wD:3.2,TLB:6:5:12:8.7.9,6:7:4.5.11:12,THB:9:7:4:11.10.12,9:10:4:8.6.7,13:9:4.5.11:12,(-8.33,-4.6,;-6.99,-5.36,;-5.65,-4.58,;-6.98,-6.91,;-8.4,-6.28,;-7.46,-7.49,;-7.4,-9.03,;-5.87,-9.62,;-6.86,-8.44,;-4.55,-9.03,;-4.55,-7.5,;-6.01,-6.97,;-5.54,-6.32,;-3.22,-9.8,;-2.69,-11.24,;-1.14,-11.17,;-.73,-9.71,;.64,-9.01,;1.92,-9.85,;1.84,-11.4,;3.14,-12.23,;4.52,-11.51,;4.59,-9.99,;3.29,-9.15,;-2.02,-8.84,;-2.02,-7.23,)|
BDBM50193798 O=C1CC(COc2ccc(cn2)C#N)CN1C1CCCCCC1
BDBM50193799 O=C1C(Cc2ccccc2)CCN1[C@H]1C2CC3CC(C2)CC1C3 |wU:13.14,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.33,2.74,;8.33,1.12,;9.62,.26,;10.98,.95,;12.27,.12,;12.19,-1.43,;13.48,-2.26,;14.86,-1.54,;14.94,-.02,;13.64,.82,;9.2,-1.2,;7.66,-1.27,;7.13,.17,;5.79,.93,;4.48,.35,;3.49,1.53,;3.37,3.06,;1.95,3.69,;2.89,2.47,;2.95,.93,;4.34,3,;5.8,2.46,;4.81,3.65,)|
BDBM50193800 CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O
BDBM50252153 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
BDBM50248133 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)C1CC1)C(F)(F)F |r,wU:15.16,18.23,1.2,wD:1.1,(24.17,-43.66,;24.94,-42.33,;25.71,-40.99,;26.27,-43.1,;26.27,-44.64,;27.6,-45.41,;28.94,-44.64,;28.93,-43.09,;27.6,-42.33,;30.28,-45.41,;30.28,-46.95,;31.61,-44.64,;31.61,-43.1,;32.37,-41.77,;30.83,-41.77,;32.94,-45.4,;34.27,-44.63,;35.6,-45.41,;35.6,-46.95,;34.26,-47.72,;32.94,-46.95,;36.93,-46.17,;38.26,-45.39,;36.93,-47.72,;37.7,-49.05,;38.48,-47.72,;23.6,-41.56,;22.26,-40.79,;22.83,-42.89,;24.36,-40.22,)|
BDBM50248134 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)c1ccccc1)C(F)(F)F |r,wU:15.16,1.2,18.20,wD:1.1,(-7.23,2.56,;-6.47,3.9,;-5.7,5.23,;-5.14,3.13,;-5.14,1.58,;-3.8,.81,;-2.47,1.58,;-2.47,3.13,;-3.81,3.9,;-1.13,.82,;-1.13,-.72,;.2,1.59,;.2,3.13,;.96,4.46,;-.58,4.46,;1.54,.82,;2.86,1.59,;4.2,.81,;4.19,-.73,;5.52,.05,;2.86,-1.49,;1.53,-.73,;5.53,-1.5,;6.85,-.73,;8.19,-1.51,;8.18,-3.05,;6.84,-3.82,;5.51,-3.04,;-7.81,4.67,;-9.15,5.44,;-8.58,3.33,;-7.04,6,)|
BDBM50249526 CC(O)c1cccc(NC(=O)C(C)Oc2ccc(Br)cc2Br)c1
BDBM50249527 CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC
BDBM50249528 CC(Sc1nnc(CNc2ccccc2)n1CC=C)C(=O)NN=Cc1cc(Br)ccc1O |w:23.25|
BDBM50260937 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccc(cc1)S(C)(=O)=O
BDBM50260939 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccc(c1)S(C)(=O)=O
BDBM50207768 CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:11.11,13.13,TLB:17:16:10.11.12:14,THB:19:16:10:12.13.14,19:16:10.11.12:14,17:11:14:18.16.15,15:16:10:12.13.14,15:13:10:18.17.16,TEB:12:13:18:10.11.17|
BDBM50207769 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CCc3ccccc3)CC1)C2 |w:11.11,9.10,TLB:4:7:14:10.11.12,4:7:14.9.10:12,32:7:14:10.11.12,THB:8:9:12:15.7.32,8:7:14.9.10:12,32:11:14:15.8.7,TEB:10:9:15:11.12.32,10:11:15:14.9.8|
BDBM50207770 CCN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(OC)cc1 |w:12.20,14.14,TLB:18:17:11.12.13:15,THB:20:17:11:13.14.15,20:17:11.12.13:15,16:17:11:13.14.15,16:14:11:19.18.17,TEB:18:12:15:19.17.16,13:14:19:11.12.18|
BDBM50207771 O=C(N1CCN(CCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:17.18.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:17:25.19.20|
BDBM50260746 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1C(F)(F)F
BDBM50260747 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(I)cc1
BDBM50260749 COc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50295394 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCNC(=O)C1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295395 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCNCC1=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295396 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295397 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(OC(C)(C)C)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50319319 O=C(CSc1cnnn1-c1ccccc1)c1cccs1
BDBM50319320 COc1ccc(cc1OC)C(=O)CSc1cnnn1C
BDBM50319321 COc1ccc(cc1OC)C(=O)CSc1cnnn1C(C)C
BDBM50319341 O=C(CCc1cnnn1-c1ccccc1)c1ccccc1
BDBM50319367 Clc1ccccc1-n1nncc1CCC(=O)c1ccccc1
BDBM50319342 COc1ccccc1-n1nncc1CCC(=O)c1ccccc1
BDBM50319343 COc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319344 COc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319345 O=C(CCc1cnnn1-c1ccc(cc1)C#N)c1ccccc1
BDBM50319346 O=C(CCc1nnnn1-c1cccnc1)c1ccccc1
BDBM50319347 O=C(CCc1nnnn1C1CCc2ccccc12)c1ccccc1
BDBM50319348 O=C(CCc1cnnn1C1CCCc2ccccc12)c1ccccc1
BDBM50319363 O=C(CCn1nnnc1-c1ccccc1)c1ccccc1
BDBM50319364 COc1ccccc1-c1nnnn1CCC(=O)c1ccccc1
BDBM50319365 COc1ccc(cc1)-c1nnnn1CCC(=O)c1ccccc1
BDBM50319366 O=C(CCn1nnnc1-c1ccc2OCOc2c1)c1ccccc1
BDBM50319361 CC(C)(C)C(=O)CCc1cnnn1-c1ccccc1
BDBM50319362 O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1
BDBM50319368 Clc1cccc(c1)-c1nnnn1CCC(=O)c1ccccc1
BDBM50319369 Clc1ccc(cc1)-c1nnnn1CCC(=O)c1ccccc1
BDBM50319370 O=C(CCn1nnnc1-c1cccnc1)c1ccccc1
BDBM50319371 O=C(CCn1nnnc1-c1cnccn1)c1ccccc1
BDBM50319372 O=C(CCn1nnnc1-c1ncccn1)c1ccccc1
BDBM50319373 O=C(CCc1cnnn1-c1ccsc1)c1ccccc1
BDBM50321138 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM50321139 CC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321140 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
BDBM50321141 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(F)c1
BDBM50321142 Cc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321143 COc1cccc(C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c1OC
BDBM50321144 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(F)c1F
BDBM50321145 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(F)cc(F)c1
BDBM50321146 COc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321147 COc1ccc(C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)c(OC)c1
BDBM50321148 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(c1)C#N
BDBM50321149 COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321132 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM50321133 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1
BDBM50321134 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1F
BDBM50321135 NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321136 NS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321137 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(c1)C(F)(F)F
BDBM50321172 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl
BDBM50321173 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50321174 Nc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321175 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
BDBM50321165 CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321166 Cc1ccccc1C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321167 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1
BDBM50321168 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1Cl
BDBM50321169 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM50321170 [O-][N+](=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321171 CN(C)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50313293 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCCC1 |r,THB:20:19:16:14.13,10:13:18.19:16|
BDBM50313294 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2 |r,TLB:10:13:20:17.16|
BDBM50313295 CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:15:13:7:10.9|
BDBM50313296 CN1[C@H]2CC[C@@H]1CN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,THB:9:7:1:4.3|
BDBM50313297 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCCC1 |r,TLB:10:13:20:17.16|
BDBM50313298 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(O)C2 |r|
BDBM50313299 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@@H]2CC[C@@]1(C)CC(O)(O)C2 |r|
BDBM50313301 COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:9:6.5|
BDBM50313302 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C)(O)C2 |r,THB:21:19:13:16.15,20:19:13:16.15|
BDBM50313303 COC1(C)C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:1:2:10:7.6,3:2:10:7.6|
BDBM50313304 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)(C2)C(F)(F)F |r,THB:20:19:13:16.15,22:19:13:16.15|
BDBM50313305 COC1(C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r,TLB:1:2:9:6.5,23:2:9:6.5|
BDBM50313306 CCOC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
BDBM50313307 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1C\C(C2)=N\OCc1ccccc1 |r,THB:21:19:13:16.15|
BDBM50313308 CO\N=C1/C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:2:3:10:7.6|
BDBM50313309 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(C2)N=O |r,THB:21:19:13:16.15|
BDBM50313310 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CCCC1 |r,THB:20:19:16:14.13,10:13:18.19:16|
BDBM50212537 Clc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1
BDBM50212538 O=C(CS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50212539 O=C(NS(=O)(=O)c1ccccc1)c1ccccc1
BDBM50207772 O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:9.10.15:16,THB:11:10:16:17.12.13,13:12:9:15.14.16,13:14:9:17.11.12|
BDBM50207773 COCCN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:16.16,14.15,TLB:20:19:13.14.15:17,THB:20:14:17:21.19.18,22:19:13:15.16.17,22:19:13.14.15:17,18:19:13:15.16.17,18:16:13:21.20.19,TEB:15:14:21:16.17.18,15:16:21:13.14.20|
BDBM50207774 O=C(N1CCN(Cc2ccncc2)CC1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:16.17.22:23,THB:18:17:23:24.19.20,20:19:16:22.21.23,20:21:16:24.18.19|
BDBM50207775 CCN1CCN(CC1)C(=O)C12CC3CC(CC(O)(C3)C1)C2 |w:14.15,12.12,TLB:18:12:20:19.16.15,18:16:11.12.13:20,THB:17:16:11:13.14.20,17:16:11.12.13:20,15:16:11:13.14.20,TEB:15:14:11:19.18.16|
BDBM50212540 CN(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50313285 CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:0:1:4:6.7,8:7:2.1:4|
BDBM50313286 CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(CC(C)(C)C)cc1 |r,TLB:0:1:4:6.7,8:7:2.1:4|
BDBM50313287 CCc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C |r,THB:18:17:14:12.11,8:11:16.17:14|
BDBM50313288 COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C |r,THB:18:17:14:12.11,8:11:16.17:14|
BDBM50313289 CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:0:1:4:6.7,8:7:2.1:4|
BDBM50313290 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1ccc(cc1)C(C)(C)C |r,TLB:5:7:10:12.13,14:13:8.7:10|
BDBM50313291 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2 |r,THB:10:13:18.19:16|
BDBM50313292 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C1CC2CCC1C2 |r,THB:20:19:16:14.13,10:13:18.19:16|
BDBM50313300 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1[C@H]2CC[C@@H]1CC(O)C2 |r,THB:20:19:13:16.15|
BDBM50273826 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
BDBM50241490 O=C(Nc1cccc(c1)C(=O)N1CCC[C@H]2CCCC[C@H]12)c1ccccc1 |r|
BDBM50260822 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(c1)-c1ccccc1
BDBM50260824 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cc2ccccc2)cc1
BDBM50260825 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C
BDBM50248426 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C1(CN2CCOCC2)CC1 |r|
BDBM50263346 CC(C)n1c(nnc1C1(CC1)c1ccc(F)cc1)-c1ccc(OC(F)(F)F)cc1
BDBM50319316 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319317 O=C(CSc1cnnn1-c1ccccc1)Cc1ccccc1
BDBM50319318 O=C(CSc1cnnn1-c1ccccc1)c1ccco1
BDBM50319322 COc1ccc(cc1OC)C(=O)CSc1cnnn1C(C)(C)C
BDBM50319323 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1C
BDBM50252104 CCNC(=O)N1CCN(CC1)c1cccc(c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50319309 CC(=O)CSc1cnnn1-c1ccccc1
BDBM50319310 CC(C)(C)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319311 O=C(CSc1cnnn1-c1ccccc1)c1ccccc1
BDBM50319312 Fc1ccc(cc1)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319313 Fc1cccc(c1)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319314 COc1ccc(cc1)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319315 COc1cccc(c1)C(=O)CSc1cnnn1-c1ccccc1
BDBM50319324 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1cccc(C)c1
BDBM50319325 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccc(C)cc1
BDBM50319326 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccc(C)cc1C
BDBM50319327 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1OC
BDBM50319328 COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccc(Cl)cc1
BDBM50319329 COc1ccc(cc1OC)C(=O)CSc1cnnn1Cc1ccccc1
BDBM50319330 COc1ccc(cc1OC)C(=O)CSc1cnnn1Cc1cccs1
BDBM50319331 COc1ccc(cc1OC)C(=O)CSc1cnnn1C1CCCCC1
BDBM50319332 Clc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319333 Clc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319334 Cc1ccc(cc1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319335 Cc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
BDBM50319336 Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1
BDBM50319337 O=C(CCc1cnnn1Cc1ccccc1)c1ccccc1
BDBM50319338 CC(C)(C)C(=O)CS(=O)c1cnnn1-c1ccccc1
BDBM50319339 CC(C)(C)C(=O)CS(=O)(=O)c1cnnn1-c1ccccc1
BDBM50319340 O=C(COc1cnnn1-c1ccccc1)c1ccccc1
BDBM50319349 O=C(CCc1nnnn1C1CC1)c1ccccc1
BDBM50319350 O=C(CCc1cnnn1C1CCCC1)c1ccccc1
BDBM50319351 O=C(CCc1cnnn1C1CCCCC1)c1ccccc1
BDBM50319352 O=C(CCc1cnnn1[C@@]12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:9:12:16.14.15,17:15:12:9.18.10|
BDBM50319353 O=C(CCc1cnnn1C1CCOCC1)c1ccccc1
BDBM50319354 O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1
BDBM50319355 O=C(CCc1nnnn1-c1ccccc1)CCc1ccccc1
BDBM50319356 Fc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
BDBM50319357 Fc1ccc(cc1)C(=O)CCc1nnnn1-c1ccccc1
BDBM50319358 Clc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
BDBM50319359 Clc1ccc(cc1)C(=O)CCc1cnnn1-c1ccccc1
BDBM50319360 COc1cccc(c1)C(=O)CCc1cnnn1-c1ccccc1
BDBM50319659 CC(C)c1sc(NC2CC3CCC2C3)nc1O
BDBM50319660 CC(C)c1sc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1O |r|
BDBM50319661 CC(C)c1sc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1O |r|
BDBM50319664 CC(C)C1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
BDBM50319665 CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
BDBM50319666 CC(C)[C@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16|
BDBM50319667 CC(C)[C@@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
BDBM50319668 CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O |r,c:16|
BDBM50273399 C[C@H](NC1=NC(=O)C(C)(Cc2ccc(cc2)C(N)=O)S1)c1ccc(F)cc1 |r,t:3|
BDBM50273400 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)N1CCOCC1)c1ccc(F)cc1 |r,t:3|
BDBM50273402 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(C)cc1 |r,t:3|
BDBM50273397 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(O)=O)c1ccc(F)cc1 |r,t:3|
BDBM50207767 OCCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
BDBM50207776 CCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
BDBM50207777 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)c1ccccc1)C2 |w:11.11,9.10,TLB:4:7:14:10.11.12,4:7:14.9.10:12,30:7:14:10.11.12,THB:8:9:12:15.7.30,8:7:14.9.10:12,30:11:14:15.8.7,TEB:10:9:15:11.12.30,10:11:15:14.9.8|
BDBM50207778 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)C2 |w:11.11,9.10,TLB:33:7:14:10.11.12,4:7:14:10.11.12,4:7:14.9.10:12,THB:8:9:12:15.7.33,8:7:14.9.10:12,33:11:14:15.8.7,TEB:10:9:15:11.12.33,10:11:15:14.9.8|
BDBM50207779 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(Cc3ccncc3)CC1)C2 |w:11.11,9.10,TLB:4:7:14:10.11.12,4:7:14.9.10:12,31:7:14:10.11.12,THB:8:9:12:15.7.31,8:7:14.9.10:12,31:11:14:15.8.7,TEB:10:9:15:11.12.31,10:11:15:14.9.8|
BDBM50207780 CCN1CCN(CC1)C(=O)C1(CCCC1)c1ccc(F)cc1
BDBM50207781 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)C(C#N)c1ccccc1)C2 |w:11.11,9.10,24.28,TLB:33:7:14:10.11.12,4:7:14:10.11.12,4:7:14.9.10:12,THB:8:9:12:15.7.33,8:7:14.9.10:12,33:11:14:15.8.7,TEB:10:9:15:11.12.33,10:11:15:14.9.8|
BDBM50207782 CCN1CCN(CC1)C(=O)CC1CCCCC1
BDBM50260666 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(O)c1
BDBM50260669 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(OC(F)(F)F)c1
BDBM50273861 O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H]2CCCC[C@@H]12)c1ccccc1 |r|
BDBM50315878 Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
BDBM50212543 Clc1ccc(-c2ccc(o2)C(=O)CS(=O)(=O)c2ccccc2)c(Cl)c1
BDBM50212544 CCN(CC)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212548 Cc1c(sc2ccccc12)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212549 Fc1ccc(cc1)C(=O)CCS(=O)(=O)c1ccccc1
BDBM50222205 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50212542 OC(CS(=O)(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F |w:1.0|
BDBM50212532 Clc1ccc(cc1Cl)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212533 O=C(CS(=O)(=O)c1ccccc1)c1ccsc1
BDBM50212534 COc1cccc(c1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212535 COc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50212536 O=C(CCS(=O)(=O)c1ccccc1)c1ccccc1
BDBM50252156 C[C@H]1CN([C@H](C)CN1c1ncccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
BDBM50252157 C[C@H]1CN(C[C@@H](C)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ncccc1Cl |r|
BDBM50249082 Cc1ccc(CSc2nnc(s2)N2C(C(C(=O)c3cc4ccccc4o3)C(=O)C2=O)c2ccccc2F)cc1
BDBM50249083 CC(CC(=O)NC12CC3CC(CC(C3)C1)C2)=NNC(=O)COc1ccc(Br)c(C)c1 |w:16.19,TLB:5:6:9.8.13:11,THB:7:8:11:15.6.14,7:6:9.8.13:11,14:6:9:13.12.11,14:12:9:15.7.6,5:6:9:13.12.11|
BDBM50249110 CCCCOc1ccc(cc1C)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(C)cc1
BDBM50260745 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(F)(F)F
BDBM50260748 Cc1ccccc1-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
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,)|
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,)|
BDBM50193792 O=C1C(Cc2ccccc2)CCN1C1CCCCC1
BDBM50193793 C[C@@H]1[C@@H](COc2ccc(cn2)C#N)CN(C2CCCCCC2)C1=O
BDBM50193794 O[C@@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCC(Cc2ccccc2)C1=O |wU:7.13,wD:1.0,TLB:4:3:10:6.5.7,4:5:2.3.9:10,THB:7:5:2:9.8.10,7:8:2:6.4.5,11:7:2.3.9:10,(16.16,6.86,;16.17,5.31,;14.75,5.95,;15.69,4.73,;15.75,3.19,;17.28,2.6,;16.29,3.78,;18.6,3.19,;18.6,4.72,;17.14,5.26,;17.61,5.91,;19.93,2.42,;20.46,.99,;22,1.05,;22.42,2.51,;23.78,3.21,;25.07,2.37,;24.99,.83,;26.28,-0,;27.66,.72,;27.74,2.23,;26.44,3.08,;21.13,3.38,;21.13,4.99,)|
BDBM50207761 Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)C(=O)c1ccccc1)C2 |w:11.11,9.10,13.18,7.7,TLB:32:7:14:10.11.12,THB:8:9:12:15.7.32,8:7:14.9.10:12,32:11:14:15.8.7,TEB:10:9:15:11.12.32,10:11:15:14.9.8,4:7:14:10.11.12,4:7:14.9.10:12|
BDBM50207762 O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
BDBM50207763 O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
BDBM50207764 O=C(N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
BDBM50207765 CCN1CCN(CC1)C(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:14:15:12.13.18:19,THB:14:13:19:20.15.16,16:15:12:18.17.19,16:17:12:20.14.15|
BDBM50207766 CC(C)C(C#N)N1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:18.18,16.17,3.3,TLB:22:21:15.16.17:19,THB:22:16:19:23.21.20,24:21:15:17.18.19,24:21:15.16.17:19,20:21:15:17.18.19,20:18:15:23.22.21,TEB:17:16:23:18.19.20,17:18:23:15.16.22|
BDBM50273449 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CC1)c1ccc(F)cc1 |r,t:3|
BDBM50273452 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)N1CCCC1)c1ccc(F)cc1 |r,t:3|
BDBM50273454 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1F |r,t:3|
BDBM50260909 Cc1nc2ccccc2n1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1
BDBM50260911 CCSc1ccccc1-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
BDBM50273450 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CCCC1)c1ccc(F)cc1 |r,t:3|
BDBM50273451 CNC(=O)c1ccc(cc1)C1(C)SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O |r,c:25|
BDBM50273453 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CC(N)=O)cc1)c1ccc(F)cc1 |r,t:3|
BDBM50273455 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3|
BDBM50273457 C[C@H](NC1=NC(=O)[C@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
BDBM50297223 COC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(C)(CC1)OC
BDBM50297224 COC1(C)CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)O
BDBM50195484 C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
BDBM50195485 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCCC1
BDBM50195486 CCOC(=O)CN1C[C@H](C)N([C@H](C)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1
BDBM50195487 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)C1CCCC1
BDBM50195488 CN(C)CCNC(=O)[C@@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1cc(Cl)c(N)c(Cl)c1 |wU:8.7,11.14,(26.28,-50.13,;24.95,-49.36,;23.61,-50.12,;24.96,-47.82,;23.62,-47.04,;23.63,-45.5,;22.3,-44.73,;20.96,-45.5,;22.3,-43.19,;23.64,-42.42,;23.65,-40.88,;22.31,-40.11,;20.98,-40.88,;20.97,-42.41,;22.31,-38.57,;20.98,-37.8,;20.21,-36.47,;19.44,-37.8,;23.65,-37.8,;23.65,-36.26,;24.98,-38.57,;26.31,-37.8,;27.64,-38.56,;28.97,-37.79,;27.65,-40.11,;28.98,-40.88,;26.31,-40.89,;26.31,-42.43,;24.98,-40.11,)|
BDBM50195489 Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)N1CCCC1 |wU:15.16,18.23,(.96,-40.89,;-.37,-40.12,;-.38,-38.57,;.95,-37.8,;-1.71,-37.81,;-3.04,-38.58,;-3.05,-40.12,;-1.71,-40.89,;-1.71,-42.43,;-4.38,-37.81,;-4.38,-36.27,;-5.71,-38.58,;-7.04,-37.81,;-7.81,-36.47,;-8.58,-37.81,;-5.71,-40.12,;-4.38,-40.89,;-4.38,-42.43,;-5.72,-43.2,;-7.05,-42.42,;-7.05,-40.89,;-5.72,-44.74,;-7.06,-45.5,;-4.39,-45.51,;-4.23,-47.05,;-2.73,-47.38,;-1.95,-46.05,;-2.98,-44.9,)|
BDBM50264832 Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1
BDBM50248209 CC(C)[C@@]1(O)CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r,wU:22.24,7.10,3.3,wD:22.26,3.2,(34.95,-13.73,;34.96,-12.19,;36.29,-11.42,;33.63,-11.41,;34.95,-10.63,;33.63,-9.87,;32.29,-9.1,;30.97,-9.87,;30.96,-11.41,;32.29,-12.18,;29.63,-9.1,;29.63,-7.56,;30.4,-6.23,;28.86,-6.23,;28.3,-9.87,;28.3,-11.41,;26.96,-9.1,;25.63,-9.88,;24.29,-9.1,;24.3,-7.56,;25.62,-6.79,;26.96,-7.55,;22.96,-6.79,;22.2,-8.13,;23.73,-5.46,;21.62,-6.02,;20.28,-5.25,;20.85,-7.35,;22.39,-4.68,)|
BDBM50248210 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](O)(CC2CC2)CC1)C(F)(F)F |r,wU:15.16,18.20,1.2,wD:1.1,18.21,(-7.88,-17.57,;-7.12,-16.23,;-6.35,-14.9,;-5.78,-17,;-5.78,-18.55,;-4.45,-19.32,;-3.11,-18.55,;-3.12,-17,;-4.45,-16.23,;-1.78,-19.31,;-1.77,-20.85,;-.44,-18.54,;-.45,-17,;.32,-15.67,;-1.22,-15.67,;.89,-19.31,;2.21,-18.54,;3.55,-19.31,;3.55,-20.86,;4.88,-20.07,;4.88,-21.63,;4.88,-23.17,;4.11,-24.5,;5.65,-24.51,;2.21,-21.62,;.88,-20.85,;-8.45,-15.46,;-9.79,-14.69,;-9.22,-16.8,;-7.69,-14.13,)|
BDBM50248211 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)C1CC1)C(F)(F)F |r,wU:1.2,15.16,18.20,wD:1.1,(8.96,-18.52,;9.72,-17.18,;10.49,-15.85,;11.06,-17.95,;11.06,-19.5,;12.39,-20.27,;13.73,-19.49,;13.72,-17.94,;12.39,-17.18,;15.06,-20.26,;15.06,-21.8,;16.39,-19.49,;16.39,-17.95,;17.16,-16.62,;15.62,-16.62,;17.73,-20.26,;19.05,-19.49,;20.39,-20.26,;20.39,-21.81,;21.72,-21.02,;19.05,-22.57,;17.72,-21.8,;21.72,-22.58,;22.49,-23.91,;23.26,-22.57,;8.38,-16.41,;7.05,-15.64,;7.62,-17.75,;9.15,-15.08,)|
BDBM50297914 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 |r|
BDBM50297915 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 |r|
BDBM50297916 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1 |r|
BDBM50297917 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1 |r|
BDBM50297918 C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 |r|
BDBM50297919 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCOCC1
BDBM50297920 CN1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
BDBM50297921 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCCCC1
BDBM50297922 Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCCC1
BDBM50261007 CSc1nccn1-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
BDBM50248101 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.2,15.16,wD:1.1,18.25,(24.2,-20.76,;24.96,-19.42,;25.73,-18.09,;26.29,-20.19,;26.29,-21.74,;27.63,-22.51,;28.96,-21.73,;28.96,-20.18,;27.62,-19.42,;30.3,-22.5,;30.3,-24.04,;31.63,-21.73,;31.63,-20.19,;32.39,-18.86,;30.85,-18.86,;32.97,-22.5,;34.29,-21.73,;35.63,-22.5,;35.62,-24.05,;34.29,-24.81,;32.96,-24.04,;36.95,-23.26,;38.28,-22.48,;36.96,-24.82,;38.28,-24.05,;39.62,-24.83,;39.61,-26.37,;38.27,-27.13,;36.94,-26.36,;40.94,-27.15,;42.27,-27.94,;23.62,-18.65,;22.28,-17.88,;22.85,-19.99,;24.39,-17.32,)|
BDBM50248163 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](O)(CC1)c1ccccc1)C(F)(F)F |r,wU:15.16,1.2,wD:1.1,18.20,(7.46,2.82,;8.23,4.15,;9,5.49,;9.56,3.38,;9.56,1.84,;10.9,1.07,;12.23,1.84,;12.23,3.39,;10.89,4.15,;13.57,1.07,;13.57,-.47,;14.9,1.84,;14.9,3.38,;15.66,4.71,;14.12,4.71,;16.23,1.08,;17.56,1.85,;18.89,1.07,;18.89,-.47,;20.22,.31,;17.56,-1.24,;16.23,-.47,;20.23,-1.24,;21.55,-.48,;22.88,-1.26,;22.88,-2.8,;21.54,-3.56,;20.21,-2.79,;6.89,4.92,;5.55,5.69,;6.12,3.59,;7.66,6.26,)|
BDBM50248164 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.2,18.20,wD:1.1,(22.89,2.85,;23.65,4.18,;24.42,5.52,;24.99,3.41,;24.99,1.87,;26.32,1.1,;27.66,1.87,;27.65,3.42,;26.32,4.19,;28.99,1.1,;28.99,-.44,;30.32,1.88,;30.32,3.42,;31.09,4.75,;29.55,4.74,;31.66,1.11,;32.98,1.88,;34.32,1.1,;34.32,-.44,;35.65,.34,;32.98,-1.21,;31.65,-.44,;35.65,-1.21,;35.64,-2.76,;36.96,-3.53,;38.3,-2.77,;38.31,-1.23,;36.98,-.44,;22.31,4.95,;20.98,5.72,;21.55,3.62,;23.08,6.29,)|
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
BDBM50148911 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50212551 [O-][N+](=O)c1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1
BDBM50334684 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1cscn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(13.73,-39.43,;15.06,-38.66,;13.57,-38.26,;16.4,-39.42,;17.73,-38.65,;19.06,-39.41,;19.06,-40.95,;17.74,-41.73,;16.4,-40.97,;20.4,-41.72,;20.4,-43.26,;21.73,-40.94,;21.72,-39.4,;22.49,-38.07,;20.95,-38.08,;23.06,-41.71,;24.39,-40.93,;25.72,-41.71,;25.72,-43.25,;27.18,-42.78,;28.33,-43.81,;29.79,-43.34,;30.93,-44.38,;30.12,-41.84,;24.39,-44.01,;23.06,-43.25,;26.48,-44.58,;28.01,-44.75,;28.32,-46.25,;26.99,-47.01,;25.85,-45.98,;15.05,-37.12,;16.38,-36.34,;13.71,-36.35,;14.65,-35.63,)|
BDBM50334685 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.25,(-9,1.7,;-7.67,2.47,;-9.16,2.87,;-6.33,1.71,;-5,2.48,;-3.66,1.72,;-3.67,.18,;-4.99,-.6,;-6.32,.16,;-2.33,-.59,;-2.32,-2.13,;-.99,.18,;-1,1.72,;-.23,3.06,;-1.77,3.05,;.34,-.58,;1.67,.19,;3,-.58,;3,-2.13,;4.33,-1.35,;5.67,-2.11,;1.67,-2.89,;.34,-2.13,;3.76,-3.46,;2.98,-4.78,;3.74,-6.11,;5.27,-6.12,;6.04,-4.79,;5.28,-3.46,;-7.68,4.01,;-6.35,4.79,;-9.02,4.78,;-8.08,5.5,)|
BDBM50334686 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(24.32,2.92,;25.66,3.69,;24.17,4.09,;27,2.93,;28.33,3.7,;29.67,2.94,;29.66,1.4,;28.34,.62,;27,1.38,;31,.63,;31,-.91,;32.33,1.41,;32.33,2.95,;33.1,4.28,;31.56,4.27,;33.67,.64,;35,1.42,;36.33,.64,;36.33,-.9,;37.66,-.12,;39,-.89,;40.34,-1.64,;35,-1.67,;33.67,-.9,;37.09,-2.23,;36.31,-3.56,;37.07,-4.89,;38.6,-4.9,;39.37,-3.57,;38.61,-2.24,;25.65,5.24,;26.98,6.01,;24.31,6,;25.24,6.72,)|
BDBM50334687 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.27,(41.95,2.91,;43.28,3.69,;41.79,4.08,;44.62,2.92,;45.95,3.7,;47.29,2.93,;47.28,1.39,;45.96,.61,;44.63,1.37,;48.62,.62,;48.63,-.92,;49.95,1.4,;49.95,2.94,;50.72,4.27,;49.18,4.26,;51.29,.63,;52.62,1.41,;53.95,.63,;53.95,-.91,;55.28,-.13,;56.62,-.89,;57.95,-.11,;59.27,.67,;52.62,-1.67,;51.29,-.91,;54.71,-2.24,;53.93,-3.56,;54.69,-4.89,;56.22,-4.9,;56.99,-3.57,;56.23,-2.25,;43.27,5.23,;44.6,6,;41.93,5.99,;42.87,6.72,)|
BDBM50334672 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCO)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(6.46,2.51,;7.79,3.29,;6.3,3.68,;9.13,2.52,;10.46,3.3,;11.8,2.53,;11.8,.99,;10.48,.21,;9.14,.97,;13.13,.23,;13.14,-1.32,;14.47,1,;14.46,2.54,;15.23,3.87,;13.69,3.87,;15.8,.23,;17.13,1.01,;18.47,.23,;18.47,-1.31,;19.79,-.53,;21.13,-1.29,;22.46,-.51,;17.13,-2.07,;15.8,-1.31,;19.22,-2.64,;18.44,-3.96,;19.2,-5.29,;20.73,-5.3,;21.51,-3.97,;20.75,-2.65,;7.79,4.83,;9.12,5.61,;6.45,5.6,;7.38,6.32,)|
BDBM50334673 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(8.32,-10.39,;9.65,-9.61,;8.16,-9.22,;10.99,-10.38,;12.32,-9.6,;13.66,-10.37,;13.66,-11.91,;12.34,-12.68,;11,-11.93,;14.99,-12.67,;15,-14.22,;16.33,-11.9,;16.32,-10.36,;17.09,-9.03,;15.55,-9.03,;17.66,-12.67,;18.99,-11.89,;20.32,-12.67,;20.32,-14.21,;21.65,-13.43,;22.99,-14.19,;24.32,-13.41,;25.66,-14.17,;24.31,-11.87,;18.99,-14.97,;17.66,-14.21,;21.08,-15.54,;20.3,-16.86,;21.06,-18.19,;22.59,-18.2,;23.36,-16.87,;22.6,-15.55,;9.65,-8.07,;10.98,-7.29,;8.31,-7.3,;9.24,-6.58,)|
BDBM50334674 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CNS(C)(=O)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.29,(25.62,-10.27,;26.95,-9.49,;25.46,-9.1,;28.29,-10.25,;29.62,-9.48,;30.96,-10.25,;30.96,-11.79,;29.64,-12.56,;28.3,-11.8,;32.29,-12.55,;32.3,-14.09,;33.63,-11.78,;33.62,-10.24,;34.39,-8.91,;32.85,-8.91,;34.96,-12.55,;36.3,-11.77,;37.63,-12.55,;37.63,-14.09,;38.95,-13.31,;40.29,-14.07,;41.62,-13.29,;42.96,-14.05,;40.84,-11.95,;42.53,-12.04,;36.3,-14.85,;34.96,-14.09,;38.38,-15.42,;37.6,-16.74,;38.36,-18.07,;39.89,-18.08,;40.67,-16.75,;39.91,-15.42,;26.94,-7.95,;28.28,-7.17,;25.6,-7.18,;26.54,-6.46,)|
BDBM50334675 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-5.93,-6.52,;-4.6,-5.74,;-6.09,-5.35,;-3.26,-6.51,;-1.92,-5.73,;-.59,-6.5,;-.59,-8.04,;-1.91,-8.82,;-3.25,-8.06,;.75,-8.81,;.75,-10.35,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;3.42,-8.8,;4.75,-8.02,;6.08,-8.8,;6.08,-10.34,;7.56,-9.94,;7.95,-8.44,;9.44,-8.04,;9.83,-6.55,;10.53,-9.12,;4.75,-11.1,;3.42,-10.34,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.35,-14.33,;9.12,-13,;8.36,-11.68,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,)|
BDBM50334676 CC(=O)NC[C@@]1(CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)c1ccccc1 |r,wU:23.26,8.11,wD:23.27,5.32,(9.83,-6.55,;9.44,-8.04,;10.53,-9.12,;7.95,-8.44,;7.56,-9.93,;6.08,-10.34,;6.08,-8.8,;4.75,-8.02,;3.42,-8.8,;3.42,-10.34,;4.75,-11.1,;2.08,-8.03,;2.08,-6.49,;2.84,-5.16,;1.3,-5.16,;.75,-8.81,;.75,-10.35,;-.59,-8.04,;-.59,-6.5,;-1.92,-5.73,;-3.26,-6.51,;-3.25,-8.06,;-1.91,-8.82,;-4.59,-5.74,;-5.93,-6.52,;-6.09,-5.35,;-4.6,-4.2,;-3.27,-3.42,;-5.94,-3.44,;-5.01,-2.71,;6.84,-11.67,;6.06,-12.99,;6.81,-14.32,;8.34,-14.33,;9.12,-13,;8.36,-11.68,)|
BDBM50334677 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(24.79,-23.04,;26.12,-22.26,;24.63,-21.87,;27.46,-23.03,;28.79,-22.25,;30.13,-23.02,;30.12,-24.56,;28.8,-25.34,;27.47,-24.58,;31.46,-25.33,;31.47,-26.87,;32.79,-24.55,;32.79,-23.01,;33.56,-21.68,;32.02,-21.68,;34.13,-25.32,;35.46,-24.54,;36.79,-25.32,;36.79,-26.86,;38.12,-26.08,;39.46,-26.84,;40.79,-26.06,;42.13,-26.82,;40.78,-24.52,;35.46,-27.62,;34.13,-26.86,;37.55,-28.19,;39.07,-28.2,;39.83,-29.52,;39.06,-30.85,;37.53,-30.84,;36.77,-29.51,;35.23,-29.5,;26.11,-20.72,;27.44,-19.94,;24.77,-19.96,;25.71,-19.23,)|
BDBM50334678 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(3.06,-18.72,;4.39,-17.95,;2.9,-17.55,;5.73,-18.71,;7.06,-17.94,;8.4,-18.7,;8.39,-20.24,;7.07,-21.02,;5.74,-20.26,;9.73,-21.01,;9.74,-22.55,;11.06,-20.24,;11.06,-18.69,;11.83,-17.36,;10.28,-17.37,;12.4,-21,;13.73,-20.22,;15.06,-21,;15.06,-22.54,;16.5,-22.02,;17.69,-23,;19.13,-22.47,;20.32,-23.46,;19.4,-20.96,;13.73,-23.31,;12.4,-22.54,;15.82,-23.87,;15.04,-25.19,;15.79,-26.52,;17.33,-26.54,;18.09,-27.87,;18.1,-25.21,;17.34,-23.88,;4.38,-16.41,;5.71,-15.63,;3.04,-15.64,;3.98,-14.92,)|
BDBM50334679 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-9.42,-25.72,;-8.09,-24.94,;-9.58,-24.55,;-6.75,-25.71,;-5.42,-24.93,;-4.09,-25.7,;-4.09,-27.24,;-5.41,-28.01,;-6.74,-27.25,;-2.75,-28,;-2.75,-29.54,;-1.42,-27.23,;-1.43,-25.69,;-.66,-24.36,;-2.2,-24.36,;-.09,-27.99,;1.24,-27.22,;2.57,-27.99,;2.57,-29.54,;3.99,-28.94,;5.21,-29.88,;6.64,-29.29,;7.86,-30.22,;6.83,-27.76,;1.24,-30.3,;-.09,-29.53,;3.33,-30.86,;4.85,-30.87,;5.61,-32.19,;4.84,-33.52,;3.31,-33.51,;2.55,-32.18,;-8.1,-23.4,;-6.77,-22.63,;-9.43,-22.64,;-8.5,-21.92,)|
BDBM50334680 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccc1F)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(10.24,-34.27,;11.57,-33.49,;10.08,-33.1,;12.91,-34.25,;14.24,-33.48,;15.58,-34.25,;15.57,-35.79,;14.25,-36.56,;12.92,-35.8,;16.91,-36.55,;16.91,-38.09,;18.24,-35.78,;18.24,-34.24,;19.01,-32.91,;17.46,-32.91,;19.58,-36.54,;20.91,-35.77,;22.24,-36.54,;22.24,-38.09,;23.66,-37.51,;24.88,-38.45,;26.31,-37.87,;27.53,-38.82,;26.52,-36.34,;20.91,-38.85,;19.58,-38.09,;23,-39.42,;24.52,-39.42,;25.28,-40.75,;24.51,-42.08,;22.97,-42.07,;22.22,-40.74,;20.68,-40.73,;11.56,-31.95,;12.89,-31.17,;10.22,-31.18,;11.16,-30.46,)|
BDBM50334681 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(.46,-29.77,;1.79,-28.99,;.3,-28.6,;3.13,-29.75,;4.46,-28.98,;5.8,-29.75,;5.79,-31.29,;4.47,-32.06,;3.14,-31.3,;7.13,-32.05,;7.14,-33.59,;8.46,-31.28,;8.46,-29.74,;9.23,-28.41,;7.69,-28.41,;9.8,-32.04,;11.13,-31.27,;12.46,-32.04,;12.46,-33.59,;13.89,-33.03,;15.1,-33.99,;16.53,-33.42,;17.74,-34.39,;16.76,-31.9,;11.13,-34.35,;9.8,-33.59,;13.22,-34.92,;12.44,-36.24,;13.2,-37.57,;14.73,-37.58,;15.49,-38.92,;15.5,-36.25,;14.74,-34.92,;1.78,-27.45,;3.11,-26.67,;.44,-26.68,;1.38,-25.96,)|
BDBM50334682 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-4.83,-28.85,;-3.5,-28.08,;-4.99,-27.69,;-2.16,-28.84,;-.82,-28.07,;.51,-28.84,;.51,-30.37,;-.81,-31.15,;-2.15,-30.39,;1.85,-31.14,;1.85,-32.68,;3.18,-30.37,;3.17,-28.83,;3.94,-27.5,;2.4,-27.5,;4.52,-31.13,;5.85,-30.36,;7.18,-31.13,;7.18,-32.67,;8.29,-31.61,;9.77,-32.05,;10.89,-30.99,;12.36,-31.42,;10.52,-29.49,;5.85,-33.44,;4.52,-32.68,;7.93,-34.01,;9.46,-34.01,;10.22,-35.34,;9.44,-36.67,;7.91,-36.66,;7.15,-35.33,;-3.5,-26.54,;-2.17,-25.76,;-4.84,-25.77,;-3.91,-25.05,)|
BDBM50334683 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-7.82,-30.88,;-6.49,-30.1,;-7.98,-29.71,;-5.15,-30.87,;-3.81,-30.09,;-2.48,-30.86,;-2.48,-32.4,;-3.8,-33.18,;-5.14,-32.42,;-1.14,-33.17,;-1.14,-34.71,;.19,-32.39,;.18,-30.85,;.95,-29.52,;-.59,-29.52,;1.53,-33.16,;2.86,-32.38,;4.19,-33.16,;4.19,-34.7,;5.66,-34.25,;6.79,-35.3,;8.26,-34.84,;9.39,-35.89,;8.6,-33.34,;2.86,-35.46,;1.53,-34.7,;4.94,-36.03,;6.47,-36.04,;7.23,-37.36,;6.45,-38.69,;7.22,-40.03,;4.92,-38.68,;4.16,-37.35,;-6.49,-28.56,;-5.16,-27.78,;-7.83,-27.8,;-6.9,-27.07,)|
BDBM50309942 CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 |c:5|
BDBM50309943 OC1=C(N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50273456 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3|
BDBM50273458 C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
BDBM50309944 OC1=C(N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309945 COC(=O)c1ccc(cc1)C(=O)CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:24|
BDBM50309946 OC1=C(N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309947 OC(=O)c1ccc(cc1)C(=O)CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:23|
BDBM50207790 CCN1CCN(CC1)C(=O)C12CC3CC(CC(Cc4ccccc4)(C3)C1)C2 |w:12.26,14.14,TLB:24:16:11.12.13:26,THB:17:16:11:13.14.26,17:16:11.12.13:26,15:16:11:13.14.26,15:14:11:25.24.16,TEB:24:12:26:25.16.15,13:14:25:11.12.24|
BDBM50207791 O=C(N1CCN(CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
BDBM50207792 COCCN1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
BDBM50273821 COC(=O)c1ccc(cc1)C1(C)SC(N[C@@H](C)c2ccc(F)cc2)=NC1=O |r,c:25|
BDBM50273822 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(F)cc1)c1ccc(F)cc1 |r,t:3|
BDBM50273823 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(C)(C)C(N)=O)c1ccc(F)cc1 |r,t:3|
BDBM50273824 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CCC(N)=O)cc1)c1ccc(F)cc1 |r,t:3|
BDBM50273825 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C1(CC1)C(N)=O)c1ccc(F)cc1 |r,t:3|
BDBM50334688 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC(N)=O)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.27,(-9.59,-9.92,;-8.25,-9.14,;-9.74,-8.75,;-6.92,-9.91,;-5.58,-9.13,;-4.25,-9.9,;-4.25,-11.44,;-5.57,-12.22,;-6.91,-11.46,;-2.91,-12.21,;-2.91,-13.75,;-1.58,-11.43,;-1.58,-9.89,;-.82,-8.56,;-2.36,-8.57,;-.24,-12.2,;1.09,-11.42,;2.42,-12.2,;2.42,-13.74,;3.9,-13.34,;4.29,-11.84,;5.78,-11.44,;3.2,-10.76,;1.09,-14.5,;-.24,-13.74,;3.18,-15.07,;2.4,-16.39,;3.15,-17.72,;4.68,-17.73,;5.46,-16.4,;4.7,-15.08,;-8.26,-7.6,;-6.93,-6.83,;-9.6,-6.84,;-8.67,-6.12,)|
BDBM50334689 O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1Cc1ccccc1 |TLB:2:3:5.12.6:10.8.9,12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(8.22,-4.07,;9.56,-4.84,;10.89,-4.07,;12.22,-4.83,;13.42,-3.56,;14.75,-4.05,;16.14,-3.7,;16.16,-2.17,;14.76,-1.59,;13.41,-2.07,;13.72,-2.83,;13.73,-4.41,;15.13,-4.98,;9.56,-6.38,;10.81,-7.29,;10.33,-8.75,;8.79,-8.75,;8.32,-7.29,;6.97,-6.54,;5.65,-7.33,;4.31,-6.57,;2.99,-7.36,;3.01,-8.9,;4.36,-9.65,;5.68,-8.86,)|
BDBM50334690 O=C(NC1C2CC3CC(C2)CC1C3)C1NCCS1 |TLB:2:3:5.12.6:10.8.9,12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(-9.19,4,;-7.86,3.24,;-6.53,4.01,;-5.19,3.24,;-3.99,4.52,;-2.67,4.03,;-1.27,4.37,;-1.26,5.9,;-2.65,6.48,;-4,6,;-3.69,5.24,;-3.69,3.66,;-2.28,3.09,;-7.86,1.7,;-9.1,.79,;-8.63,-.68,;-7.09,-.68,;-6.61,.79,)|
BDBM50334691 CC(C)(C)OC(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:14:15:17.24.18:22.20.21,24:23:21:17.18.19,THB:14:15:21:17.18.19,24:18:15.23.22:21,19:18:15:22.20.21,19:20:15:17.24.18,(3.39,.72,;4.72,1.5,;4.71,3.04,;3.34,2.2,;6.06,.74,;7.39,1.52,;7.38,3.06,;8.73,.76,;9.2,-.71,;10.74,-.71,;11.22,.76,;9.97,1.66,;9.97,3.2,;8.63,3.97,;11.3,3.98,;12.64,3.21,;13.83,4.48,;15.16,3.99,;16.56,4.34,;16.57,5.87,;15.17,6.45,;13.82,5.97,;14.13,5.21,;14.14,3.63,;15.54,3.06,)|
BDBM50334692 O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1C(=O)c1ccccc1 |TLB:2:3:5.12.6:10.8.9,12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(21.33,4.44,;22.66,3.67,;23.99,4.44,;25.33,3.68,;26.53,4.95,;27.85,4.46,;29.25,4.81,;29.26,6.34,;27.87,6.91,;26.52,6.44,;26.83,5.68,;26.83,4.1,;28.24,3.53,;22.66,2.13,;23.91,1.22,;23.43,-.24,;21.89,-.24,;21.42,1.22,;20.08,1.98,;20.07,3.52,;18.75,1.2,;17.42,1.97,;16.09,1.19,;16.1,-.35,;17.45,-1.11,;18.77,-.33,)|
BDBM50334693 O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1C(=O)Nc1ccccc1 |TLB:2:3:5.12.6:10.8.9,12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(-3.59,-3.57,;-2.25,-4.34,;-.92,-3.57,;.42,-4.34,;1.61,-3.06,;2.94,-3.55,;4.34,-3.2,;4.35,-1.68,;2.95,-1.1,;1.61,-1.58,;1.91,-2.33,;1.92,-3.92,;3.32,-4.48,;-2.25,-5.88,;-1,-6.79,;-1.48,-8.25,;-3.02,-8.25,;-3.49,-6.79,;-4.83,-6.03,;-4.84,-4.49,;-6.16,-6.81,;-7.5,-6.05,;-7.51,-4.51,;-8.85,-3.75,;-10.18,-4.53,;-10.16,-6.07,;-8.82,-6.83,)|
BDBM50016982 NC(=O)[C@@]12CC3CC(C[C@](C3)(C1)NC(=O)CN1CCCN(c3c(Cl)cc(Cl)cc3Cl)S1(=O)=O)C2 |r,TLB:33:3:8.7.6:10,THB:33:7:10:11.3.4,4:3:8:6.5.10,4:5:8:11.33.3,1:3:8:6.5.10,1:3:8.7.6:10|
BDBM50016983 [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(SC)n1 |r,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
BDBM50016984 [H][C@]12CCCC[C@@]1([H])N(CCC2)C(=O)c1csc(c1)C1CCN(CC1)C(=O)CCNS(C)(=O)=O |r|
BDBM50017003 Cc1nc2c(Cl)c(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2s1
BDBM50017004 Clc1cc(Cl)cc(c1)C(=O)Nc1ccc2scnc2c1
BDBM50017005 Cn1cnnc1SCC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
BDBM50017006 COc1cccc(c1)C(=O)CSc1nnc(C)s1
BDBM50017007 Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:20.21,wD:16.18,27.30,TLB:30:27:24:22.21.20,19:20:24:26.29.27,28:27:24:22.21.20,28:27:24.23.22:20,THB:29:23:20:26.27.30,29:27:24.23.22:20,30:21:24:26.29.27,(14.51,-15.82,;13.04,-16.3,;12.73,-17.8,;13.87,-18.83,;11.26,-18.28,;10.12,-17.25,;10.43,-15.75,;11.9,-15.27,;12.21,-13.76,;13.72,-14.08,;13.24,-12.61,;11.07,-12.73,;9.74,-13.5,;8.41,-12.74,;8.4,-11.2,;9.73,-10.43,;11.07,-11.2,;12.4,-10.43,;12.4,-8.89,;13.74,-11.19,;14.98,-10.31,;14.99,-8.89,;15.79,-10.28,;17.27,-10.8,;17.16,-12.34,;16.37,-10.8,;17.27,-9.73,;17.42,-8.31,;17.88,-6.85,;18.27,-9.68,;16,-7.79,)|
BDBM50017008 [H][C@]12CC[C@](C)([C@H](C1)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1cccc(Cl)c1C)C2(C)C |r|
BDBM50017010 CN(C1CCCCCC1)C(=O)c1csc(CNS(=O)(=O)c2cccc(Cl)c2)n1
BDBM50252438 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cncn1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252439 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cnnc1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50260879 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-n1ccnc1
BDBM50295372 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295373 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)N1CCCCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295374 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)N1CCOCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295375 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(N)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295376 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1nnn[nH]1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295377 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295378 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N(C)C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295379 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295380 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCCCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50260793 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
BDBM50260796 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(OC2CC2)cc1
BDBM50260797 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccccc1
BDBM50260625 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1O
BDBM50260670 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM50252367 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(O)C1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252368 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CC[C@H](O)C1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252476 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1ccnc1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252477 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cccn1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252478 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(OC(C)(C)C(O)=O)c1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50207783 O=C(N1CCNCC1)C12CC3CC(CC(C3)C1)C2 |TLB:11:12:9.10.15:16,THB:11:10:16:17.12.13,13:12:9:15.14.16,13:14:9:17.11.12|
BDBM50207784 OC12CC3CC(C1)CC(C3)(C2)C(=O)N1CCCCC1 |w:5.5,3.10,TLB:0:1:9:4.5.7,0:1:9.3.4:7,6:1:9:4.5.7,THB:2:3:7:10.1.6,2:1:9.3.4:7,TEB:6:5:9:10.2.1|
BDBM50260706 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(F)cc1
BDBM50273827 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CCO)cc1)c1ccc(F)cc1 |r,t:3|
BDBM50273855 C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CO)cc1)c1ccc(F)cc1 |r,t:3|
BDBM50273856 C[C@H](NC1=NC(=O)C(C)(CC(C)(C)O)S1)c1ccc(F)cc1 |r,t:3|
BDBM50273857 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(F)cc1 |r,t:3|
BDBM50273858 C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCC1)c1ccc(F)cc1 |r,t:3|
BDBM50273859 C[C@H](NC1=NC(=O)C(C)(S1)C1(O)CCCC1)c1ccc(F)cc1 |r,t:3|
BDBM50273860 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(cc1)C#N |r,t:3|
BDBM50273862 Cc1cccc(c1)C(C)(C)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(4.42,-45.81,;3.07,-45.05,;3.06,-43.51,;1.71,-42.76,;.39,-43.55,;.41,-45.07,;1.75,-45.84,;-.91,-45.86,;-.13,-47.19,;-1.69,-44.53,;-2.24,-46.63,;-2.24,-48.17,;-3.58,-45.87,;-4.91,-46.64,;-5.01,-48.17,;-6.1,-49.38,;-7.47,-48.74,;-7.39,-47.15,;-6.27,-45.98,;-7.65,-46.38,;-7.73,-47.86,;-9.2,-47.36,;-9,-49.07,;-6.43,-48.43,)|
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|
BDBM50210897 O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2OCOc2c1
BDBM50210898 COc1cc(ccc1C)C(=O)N1CCC(CC1)n1c2ccccc2oc1=O
BDBM50248308 CC(N1CCN([C@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccncc1 |r|
BDBM50248309 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
BDBM50248310 C[C@@H]1CN(CCCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
BDBM50248370 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(F)C(F)(F)F |r|
BDBM50248371 CC(O)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C |r|
BDBM50295371 COc1ccc(cc1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295381 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(F)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295382 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(F)(F)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295383 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(CC1)N(C)C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295384 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(O)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295385 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(CC1)C(O)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295386 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCC(CC1)C(N)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295387 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295388 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1F)N1CCOCC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295389 C[C@H]1CN(C[C@@H](C)O1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295390 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295391 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCN(C)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295392 C[C@H]1CN(CCN1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295393 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)N1CCS(=O)(=O)CC1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295368 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295369 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C#N)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295370 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)C(N)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50248252 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
BDBM50248253 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(c1ccccc1)c1ccncc1 |r|
BDBM50248307 C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)F |r|
BDBM50309934 OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309935 OC1=C(NS(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309936 CN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:11|
BDBM50309937 CN1C(C(=O)c2ccccc2)=C(OCC(=O)c2ccccc2)c2ccccc2S1(=O)=O |t:11|
BDBM50309938 CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C |c:5|
BDBM50309939 OC1=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309940 OC1=C(N(CCc2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:1|
BDBM50309941 FC(F)(F)S(=O)(=O)OC1=C(N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |t:8|
BDBM50317206 O=C(N1CCCCC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1 |TLB:13:8:16:14.12.11,1:8:16:14.12.11,1:8:16.15.14:11,THB:18:15:11:9.8.13,17:15:11:9.8.13,17:8:16.15.14:11,13:12:16:9.17.8|
BDBM50317207 CCN(C1CCCCC1)C(=O)CN1CCc2conc2CC1
BDBM50317208 CCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:6:7:11.12.14:16,7:8:11:14.15.16,7:15:11:9.13.8,(27.37,5.32,;27.37,3.78,;28.7,3,;28.71,1.46,;30.04,.69,;31.38,1.46,;30.04,-.85,;28.7,-1.62,;28.7,-3.14,;27.29,-3.49,;25.97,-3.01,;24.77,-4.28,;26.26,-3.86,;27.67,-4.42,;26.25,-2.27,;27.3,-1.05,;25.96,-1.52,;30.04,3.78,;31.38,3.01,;32.71,3.78,;32.71,5.31,;31.38,6.08,;30.04,5.31,)|
BDBM50317209 CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:6.7,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:9:10:14.15.17:19,10:11:14:17.18.19,10:18:14:12.16.11,(-6.05,6.18,;-5.42,4.76,;-6.33,3.51,;-7.87,3.49,;-8.34,2.03,;-7.09,1.12,;-5.88,2.1,;-4.36,1.59,;-3,2.34,;-4.38,.05,;-5.73,-.7,;-5.74,-2.24,;-7.15,-2.6,;-8.49,-2.1,;-9.69,-3.39,;-8.18,-2.96,;-6.76,-3.53,;-8.19,-1.37,;-7.14,-.12,;-8.5,-.6,)|
BDBM50317210 CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:5.6,TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:8:9:13.14.16:18,9:10:13:16.17.18,9:17:13:11.15.10,(-4.95,-6.94,;-5.86,-8.19,;-7.4,-8.21,;-7.87,-9.67,;-6.63,-10.58,;-5.41,-9.6,;-3.89,-10.12,;-2.54,-9.36,;-3.91,-11.66,;-5.26,-12.4,;-5.27,-13.94,;-6.68,-14.3,;-8.02,-13.8,;-9.23,-15.09,;-7.71,-14.66,;-6.29,-15.23,;-7.72,-13.07,;-6.67,-11.82,;-8.03,-12.3,)|
BDBM50317211 CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(3.7,-6.03,;2.79,-7.28,;3.42,-8.69,;2.52,-9.94,;.99,-9.95,;.52,-11.41,;1.76,-12.31,;2.97,-11.34,;4.48,-11.85,;5.83,-11.1,;4.45,-13.39,;3.11,-14.13,;3.1,-15.67,;1.7,-16.02,;.36,-15.52,;-.84,-16.81,;.67,-16.38,;2.08,-16.95,;.66,-14.8,;1.71,-13.55,;.35,-14.04,)|
BDBM50317212 CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(12.99,-6.92,;13.62,-8.33,;15.15,-8.49,;12.71,-9.58,;11.18,-9.59,;10.72,-11.05,;11.95,-11.95,;13.17,-10.98,;14.67,-11.49,;16.02,-10.74,;14.65,-13.03,;13.3,-13.78,;13.3,-15.31,;11.9,-15.66,;10.56,-15.17,;9.36,-16.45,;10.87,-16.02,;12.28,-16.59,;10.86,-14.44,;11.9,-13.19,;10.55,-13.68,)|
BDBM50317213 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(25.66,-12.64,;24.31,-13.39,;24.29,-14.93,;22.94,-15.67,;22.93,-17.2,;21.53,-17.56,;20.2,-17.06,;19,-18.34,;20.5,-17.92,;21.92,-18.49,;20.5,-16.33,;21.54,-15.09,;20.18,-15.58,;22.8,-12.88,;21.59,-13.85,;20.36,-12.95,;20.82,-11.49,;22.35,-11.47,;23.25,-10.22,;22.62,-8.82,;23.38,-7.49,;22.34,-6.35,;20.94,-6.98,;21.1,-8.51,)|
BDBM50317214 CC(C)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:8.9,TLB:18:17:21:14.13.12,18:13:16.17.19:21,THB:11:12:16.17.19:21,12:13:16:19.20.21,12:20:16:14.18.13,(-4.2,-19.79,;-5.1,-21.04,;-6.63,-20.89,;-4.46,-22.45,;-5.36,-23.69,;-6.89,-23.71,;-7.36,-25.17,;-6.12,-26.07,;-4.91,-25.1,;-3.4,-25.61,;-2.05,-24.86,;-3.42,-27.15,;-4.77,-27.89,;-4.78,-29.42,;-6.18,-29.78,;-7.52,-29.28,;-8.71,-30.56,;-7.21,-30.14,;-5.8,-30.71,;-7.22,-28.56,;-6.17,-27.31,;-7.53,-27.8,)|
BDBM50317215 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(8.45,-25.87,;7.1,-26.62,;7.08,-28.16,;5.73,-28.91,;5.72,-30.44,;4.32,-30.8,;2.98,-30.3,;1.78,-31.58,;3.29,-31.16,;4.7,-31.73,;3.28,-29.57,;4.33,-28.33,;2.97,-28.81,;5.59,-26.11,;4.38,-27.09,;3.14,-26.18,;3.6,-24.72,;5.13,-24.71,;6.04,-23.46,;5.4,-22.05,;5.96,-20.61,;4.51,-20.07,;3.97,-21.51,)|
BDBM50317216 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(18.88,-25.64,;17.53,-26.39,;17.51,-27.93,;16.16,-28.68,;16.15,-30.21,;14.75,-30.56,;13.41,-30.07,;12.22,-31.35,;13.72,-30.92,;15.13,-31.49,;13.71,-29.34,;14.76,-28.1,;13.4,-28.58,;16.02,-25.88,;14.81,-26.86,;13.57,-25.95,;14.04,-24.49,;15.57,-24.48,;16.47,-23.23,;15.7,-21.89,;16.48,-20.57,;15.71,-19.24,;14.17,-19.23,;13.4,-20.56,;14.17,-21.9,)|
BDBM50317217 FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:9.10,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:12:13:17.18.20:22,13:14:17:20.21.22,13:21:17:15.19.14,(27.97,-20.63,;27.2,-21.96,;25.66,-21.96,;26.42,-20.62,;27.97,-23.29,;27.07,-24.54,;25.53,-24.56,;25.07,-26.02,;26.31,-26.92,;27.52,-25.95,;29.03,-26.46,;30.37,-25.71,;29,-28,;27.66,-28.74,;27.65,-30.27,;26.25,-30.63,;24.91,-30.13,;23.71,-31.41,;25.22,-30.99,;26.63,-31.56,;25.21,-29.4,;26.26,-28.16,;24.9,-28.65,)|
BDBM50317218 FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(-5.42,-32.99,;-4.79,-34.4,;-3.25,-34.55,;-4.03,-33.05,;-5.69,-35.65,;-5.05,-37.05,;-5.95,-38.3,;-7.48,-38.31,;-7.95,-39.77,;-6.71,-40.68,;-5.5,-39.7,;-3.99,-40.21,;-2.65,-39.46,;-4.02,-41.75,;-5.36,-42.5,;-5.37,-44.03,;-6.77,-44.38,;-8.11,-43.89,;-9.31,-45.17,;-7.8,-44.74,;-6.39,-45.31,;-7.81,-43.16,;-6.76,-41.92,;-8.12,-42.4,)|
BDBM50317219 Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(2.87,-33.68,;3.64,-35.01,;5.18,-35.02,;5.94,-36.36,;5.16,-37.69,;5.93,-39.03,;5.02,-40.28,;3.49,-40.29,;3.03,-41.75,;4.27,-42.66,;5.48,-41.68,;6.99,-42.19,;8.34,-41.44,;6.96,-43.73,;5.62,-44.48,;5.61,-46.01,;4.21,-46.36,;2.87,-45.87,;1.67,-47.15,;3.18,-46.72,;4.59,-47.29,;3.17,-45.14,;4.22,-43.9,;2.86,-44.38,;3.63,-37.69,;2.86,-36.35,)|
BDBM50317220 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1ccc(cc1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(18.7,-42.55,;17.36,-43.3,;17.33,-44.84,;15.99,-45.59,;15.98,-47.12,;14.58,-47.47,;13.24,-46.98,;12.04,-48.26,;13.55,-47.83,;14.96,-48.4,;13.54,-46.25,;14.59,-45.01,;13.23,-45.49,;15.85,-42.79,;14.64,-43.77,;13.4,-42.86,;13.87,-41.4,;15.4,-41.39,;16.3,-40.14,;15.53,-38.8,;16.31,-37.47,;15.55,-36.14,;14.01,-36.13,;13.23,-37.47,;14,-38.8,;13.24,-34.79,;12.48,-33.46,)|
BDBM50317221 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)|
BDBM50317222 OCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(-3.11,5.86,;-3.88,4.52,;-5.43,4.52,;-6.21,3.18,;-7.75,3.17,;-8.21,1.7,;-6.97,.79,;-5.75,1.77,;-4.23,1.26,;-2.88,2.01,;-4.26,-.28,;-5.6,-1.03,;-5.61,-2.57,;-7.02,-2.92,;-8.36,-2.43,;-9.57,-3.71,;-8.06,-3.29,;-6.63,-3.86,;-8.06,-1.69,;-7.01,-.44,;-8.38,-.93,)|
BDBM50317223 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(6.04,2.3,;4.69,1.55,;4.66,.01,;3.32,-.73,;3.31,-2.26,;1.91,-2.62,;.57,-2.12,;-.63,-3.4,;.88,-2.98,;2.29,-3.54,;.87,-1.39,;1.92,-.15,;.56,-.63,;3.18,2.06,;1.97,1.09,;.73,1.99,;1.2,3.45,;2.72,3.47,;4.03,4.27,;4,5.82,;5.31,6.62,;6.67,5.87,;6.7,4.35,;5.39,3.54,)|
BDBM50317224 O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)|
BDBM50317225 OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(25.94,3.33,;26.11,4.86,;24.57,4.88,;23.67,3.63,;22.13,3.6,;21.67,2.14,;22.91,1.24,;24.13,2.22,;25.64,1.7,;26.99,2.46,;25.61,.16,;24.26,-.58,;24.25,-2.12,;22.86,-2.47,;21.51,-1.98,;20.31,-3.26,;21.82,-2.83,;23.24,-3.4,;21.81,-1.25,;22.86,-0,;21.5,-.49,;25.97,6.39,;27.38,7.01,;28.41,5.86,;27.63,4.53,)|
BDBM50317226 OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(-3.5,-9.88,;-3.33,-8.35,;-4.87,-8.34,;-5.77,-9.59,;-7.3,-9.61,;-7.77,-11.07,;-6.53,-11.97,;-5.31,-10.99,;-3.8,-11.51,;-2.45,-10.75,;-3.83,-13.05,;-5.18,-13.79,;-5.19,-15.33,;-6.59,-15.69,;-7.93,-15.19,;-9.13,-16.47,;-7.62,-16.05,;-6.2,-16.61,;-7.63,-14.46,;-6.58,-13.21,;-7.94,-13.7,;-2.01,-9.12,;-.66,-8.36,;-.66,-6.82,;-1.99,-6.04,;-3.32,-6.81,)|
BDBM50252436 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCC(C1)C(N)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50252437 C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)N1CCCC1C(O)=O)c1ccc(F)cc1C(F)(F)F |r|
BDBM50244290 CCOc1cc(CNc2c(C)[nH][nH]c2=S)cc(Br)c1OCC(=O)NC1CCCCC1
BDBM50334694 O=C(NC1C2CC3CC(C2)CC1C3)C1SCCN1S(=O)(=O)c1ccccc1 |TLB:2:3:5.12.6:10.8.9,12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(22.03,-3.14,;23.37,-3.9,;24.7,-3.13,;26.04,-3.9,;27.23,-2.62,;28.56,-3.11,;29.96,-2.77,;29.97,-1.24,;28.57,-.66,;27.23,-1.14,;27.53,-1.9,;27.54,-3.48,;28.94,-4.05,;23.37,-5.44,;24.62,-6.35,;24.14,-7.82,;22.6,-7.82,;22.13,-6.35,;20.78,-5.6,;20,-4.26,;21.54,-4.26,;19.46,-6.4,;18.12,-5.64,;16.8,-6.43,;16.82,-7.97,;18.18,-8.72,;19.49,-7.92,)|
BDBM50339805 C[C@]12CC[C@@](C)(C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](Oc5nc(=O)o[nH]5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(O)=O |r,t:9|
BDBM50339806 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)NC(N)=O)C1(C)C |r,t:18|
BDBM50339807 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)NC(=O)NS(=O)(=O)C(F)(F)F)C1(C)C |r,t:18|
BDBM50339808 C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O |r,c:10|
BDBM72094 O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N1CCc2ccccc12
BDBM50339809 CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
BDBM50339810 C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O |r,c:10|
BDBM50339811 CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](Oc6nc(=O)o[nH]6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
BDBM50339812 CC1(C)[C@@H](O)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)NC(N)=O |r,t:19|
BDBM50339813 C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)NC(N)=O |r,c:10|
BDBM50335195 CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O
BDBM50335196 CC(=O)c1cc2ccc(cc2oc1=O)-c1ccccc1
BDBM50335197 CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(C)cc1
BDBM50335198 COc1ccc(cc1)-c1ccc2cc(C(C)=O)c(=O)oc2c1
BDBM50335199 CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(O)cc1
BDBM50335200 COc1cc(c(Br)c(OC)c1OC)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1ccccc1
BDBM50334695 Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20.27.21:25.23.24,27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(-10.48,-18.33,;-9.15,-17.54,;-9.18,-15.99,;-7.86,-15.21,;-6.52,-15.96,;-6.48,-17.49,;-7.8,-18.29,;-5.19,-15.17,;-5.97,-13.83,;-4.43,-13.83,;-3.85,-15.92,;-3.38,-17.38,;-1.84,-17.38,;-1.36,-15.92,;-2.61,-15.01,;-2.61,-13.47,;-3.94,-12.7,;-1.28,-12.7,;.06,-13.47,;1.26,-12.19,;2.58,-12.68,;3.98,-12.33,;3.99,-10.81,;2.6,-10.23,;1.25,-10.71,;1.56,-11.46,;1.56,-13.05,;2.97,-13.61,)|
BDBM50334696 COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21.28.22:26.24.25,28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(2.68,-17,;4.02,-17.75,;5.34,-16.95,;5.32,-15.41,;6.64,-14.62,;7.98,-15.38,;8.01,-16.91,;6.7,-17.7,;9.3,-14.59,;8.52,-13.25,;10.06,-13.25,;10.65,-15.34,;11.12,-16.8,;12.66,-16.8,;13.14,-15.34,;11.89,-14.43,;11.89,-12.89,;10.55,-12.12,;13.22,-12.12,;14.56,-12.88,;15.75,-11.61,;17.08,-12.1,;18.48,-11.75,;18.49,-10.22,;17.09,-9.64,;15.75,-10.12,;16.05,-10.88,;16.06,-12.46,;17.46,-13.03,)|
BDBM50334697 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:21:23.30.24:28.26.27,30:29:27:23.24.25,THB:20:21:27:23.24.25,30:24:21.29.28:27,25:24:21:28.26.27,25:26:21:23.30.24,(17.69,-15.47,;19.04,-16.22,;19.07,-17.76,;17.7,-16.98,;20.36,-15.43,;20.34,-13.89,;21.66,-13.1,;23,-13.85,;23.03,-15.38,;21.72,-16.18,;24.32,-13.06,;23.54,-11.72,;25.08,-11.72,;25.67,-13.81,;26.14,-15.28,;27.68,-15.28,;28.16,-13.81,;26.91,-12.9,;26.91,-11.36,;25.57,-10.6,;28.24,-10.59,;29.58,-11.36,;30.77,-10.08,;32.1,-10.57,;33.5,-10.23,;33.51,-8.7,;32.11,-8.12,;30.76,-8.6,;31.07,-9.36,;31.08,-10.94,;32.48,-11.5,)|
BDBM50334698 Fc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20.27.21:25.23.24,27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(3.92,-15.58,;5.24,-14.79,;5.22,-13.25,;6.54,-12.46,;7.88,-13.22,;7.91,-14.75,;6.6,-15.54,;9.2,-12.43,;8.42,-11.08,;9.96,-11.08,;10.55,-13.17,;11.02,-14.64,;12.56,-14.64,;13.04,-13.17,;11.79,-12.27,;11.79,-10.73,;10.45,-9.96,;13.12,-9.95,;14.46,-10.72,;15.65,-9.45,;16.98,-9.94,;18.38,-9.59,;18.39,-8.06,;16.99,-7.48,;15.64,-7.96,;15.95,-8.72,;15.96,-10.3,;17.36,-10.87,)|
BDBM50334699 Fc1ccccc1S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20.27.21:25.23.24,27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(8.61,-15.54,;7.27,-14.79,;5.95,-15.59,;4.6,-14.84,;4.57,-13.3,;5.89,-12.51,;7.24,-13.26,;8.56,-12.47,;7.78,-11.13,;9.32,-11.13,;9.9,-13.22,;10.38,-14.68,;11.92,-14.68,;12.39,-13.22,;11.15,-12.31,;11.14,-10.77,;9.81,-10,;12.48,-10,;13.81,-10.77,;15.01,-9.49,;16.34,-9.98,;17.73,-9.64,;17.74,-8.11,;16.35,-7.53,;15,-8.01,;15.31,-8.76,;15.31,-10.35,;16.72,-10.91,)|
BDBM50334700 Clc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:20.27.21:25.23.24,27:26:24:20.21.22,THB:17:18:24:20.21.22,27:21:18.26.25:24,22:21:18:25.23.24,22:23:18:20.27.21,(4.15,-15.58,;5.47,-14.79,;5.44,-13.25,;6.76,-12.46,;8.11,-13.22,;8.14,-14.75,;6.82,-15.54,;9.43,-12.43,;8.65,-11.08,;10.19,-11.08,;10.77,-13.17,;11.25,-14.64,;12.79,-14.64,;13.27,-13.17,;12.02,-12.27,;12.01,-10.73,;10.68,-9.96,;13.35,-9.95,;14.68,-10.72,;15.88,-9.45,;17.21,-9.94,;18.6,-9.59,;18.61,-8.06,;17.22,-7.48,;15.87,-7.96,;16.18,-8.72,;16.18,-10.3,;17.59,-10.87,)|
BDBM50334701 Clc1ccc(cc1Cl)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:18:19:21.28.22:26.24.25,28:27:25:21.22.23,THB:18:19:25:21.22.23,28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,(4.17,-15.58,;5.49,-14.79,;6.85,-15.54,;8.16,-14.75,;8.13,-13.22,;6.79,-12.46,;5.47,-13.25,;4.12,-12.5,;9.45,-12.43,;8.67,-11.08,;10.21,-11.08,;10.8,-13.17,;11.27,-14.64,;12.81,-14.64,;13.29,-13.17,;12.04,-12.27,;12.04,-10.73,;10.7,-9.96,;13.37,-9.95,;14.71,-10.72,;15.9,-9.45,;17.23,-9.94,;18.63,-9.59,;18.64,-8.06,;17.24,-7.48,;15.89,-7.96,;16.2,-8.72,;16.21,-10.3,;17.61,-10.87,)|
BDBM50334702 OC12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:8:7:29.6.1:4.3.28,8:7:28:29.1.2,6:1:7.5.4:28,THB:6:5:28:29.1.2,2:1:7:4.3.28,2:3:7:29.6.1,0:1:7:4.3.28,0:1:7.5.4:28,(20.18,-30.52,;18.64,-30.58,;18.65,-29.05,;17.26,-28.47,;16.22,-29.71,;16.22,-31.29,;17.63,-31.86,;14.72,-31.71,;13.39,-30.95,;12.05,-31.72,;10.72,-30.95,;12.06,-33.26,;13.3,-34.17,;12.83,-35.63,;11.29,-35.63,;10.81,-34.17,;9.47,-33.42,;8.69,-32.08,;10.23,-32.08,;8.15,-34.21,;8.18,-35.74,;6.86,-36.53,;5.51,-35.78,;4.19,-36.58,;5.48,-34.24,;4.14,-33.49,;6.8,-33.45,;15.92,-30.44,;15.91,-28.95,;17.25,-30.93,)|
BDBM50334703 COC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:11:10:32.9.4:7.6.31,11:10:31:32.4.5,9:4:10.8.7:31,THB:9:8:31:32.4.5,5:4:10:7.6.31,5:6:10:32.9.4,2:4:10:7.6.31,2:4:10.8.7:31,(36.42,-32.77,;37.13,-31.41,;36.31,-30.11,;37.03,-28.75,;34.77,-30.17,;34.78,-28.64,;33.39,-28.06,;32.35,-29.3,;32.35,-30.88,;33.76,-31.45,;30.85,-31.3,;29.52,-30.53,;28.18,-31.31,;26.85,-30.54,;28.19,-32.85,;29.44,-33.75,;28.96,-35.22,;27.42,-35.22,;26.94,-33.75,;25.6,-33.01,;24.82,-31.66,;26.36,-31.66,;24.28,-33.8,;24.31,-35.33,;22.99,-36.12,;21.64,-35.37,;20.32,-36.16,;21.61,-33.83,;20.27,-33.08,;22.93,-33.04,;32.05,-30.03,;32.04,-28.54,;33.38,-30.52,)|
BDBM50334704 NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:10:9:31.8.3:6.5.30,10:9:30:31.3.4,8:3:9.7.6:30,THB:8:7:30:31.3.4,4:3:9:6.5.30,4:5:9:31.8.3,1:3:9:6.5.30,1:3:9.7.6:30,(18.16,-3.14,;17.33,-1.84,;18.05,-.47,;15.79,-1.9,;15.81,-.37,;14.41,.21,;13.37,-1.03,;13.38,-2.61,;14.78,-3.17,;11.87,-3.03,;10.54,-2.26,;9.21,-3.03,;7.87,-2.27,;9.21,-4.57,;10.46,-5.48,;9.98,-6.95,;8.44,-6.95,;7.97,-5.48,;6.62,-4.73,;5.84,-3.39,;7.38,-3.39,;5.3,-5.52,;5.33,-7.05,;4.01,-7.85,;2.66,-7.1,;1.34,-7.89,;2.64,-5.56,;1.29,-4.81,;3.96,-4.77,;13.07,-1.75,;13.06,-.27,;14.4,-2.24,)|
BDBM50334705 NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1)C(C3)C2 |TLB:10:9:29.8.3:6.5.28,10:9:28:29.3.4,8:3:9.7.6:28,THB:8:7:28:29.3.4,4:3:9:6.5.28,4:5:9:29.8.3,1:3:9:6.5.28,1:3:9.7.6:28,(22.28,-41.5,;21.46,-40.2,;22.17,-38.83,;19.92,-40.26,;19.93,-38.73,;18.53,-38.15,;17.49,-39.39,;17.5,-40.97,;18.9,-41.53,;16,-41.39,;14.66,-40.62,;13.33,-41.39,;11.99,-40.63,;13.33,-42.93,;14.58,-43.84,;14.1,-45.31,;12.56,-45.31,;12.09,-43.84,;10.74,-43.09,;9.96,-41.75,;11.5,-41.75,;9.42,-43.88,;8.08,-43.13,;6.76,-43.92,;6.78,-45.46,;8.14,-46.21,;9.45,-45.41,;17.19,-40.11,;17.18,-38.63,;18.52,-40.6,)|
BDBM50334706 Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:17:18:24.27.25:20.21.22,17:18:22:24.25.26,27:25:18.19.20:22,THB:27:19:22:24.25.26,26:25:18:20.21.22,26:21:18:24.27.25,28:25:18:20.21.22,28:25:18.19.20:22,(21.54,-45.78,;22.86,-44.98,;22.84,-43.44,;24.16,-42.65,;25.5,-43.41,;25.53,-44.94,;24.21,-45.73,;26.82,-42.62,;26.04,-41.28,;27.58,-41.28,;28.17,-43.37,;28.64,-44.83,;30.18,-44.83,;30.66,-43.37,;29.41,-42.46,;29.41,-40.92,;28.07,-40.15,;30.74,-40.15,;32.07,-40.91,;33.57,-40.49,;33.57,-38.91,;34.61,-37.68,;33.26,-38.15,;33.27,-39.64,;34.6,-40.13,;35.99,-39.78,;36,-38.25,;34.98,-41.06,;37.53,-39.72,;38.35,-41.02,;38.25,-38.36,)|
BDBM50334707 COc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:18:19:25.28.26:21.22.23,18:19:23:25.26.27,28:26:19.20.21:23,THB:28:20:23:25.26.27,27:26:19:21.22.23,27:22:19:25.28.26,29:26:19:21.22.23,29:26:19.20.21:23,(37.63,-44.84,;38.98,-45.59,;40.3,-44.8,;40.27,-43.26,;41.59,-42.47,;42.94,-43.22,;42.97,-44.75,;41.65,-45.55,;44.26,-42.43,;43.48,-41.09,;45.02,-41.09,;45.6,-43.18,;46.08,-44.64,;47.62,-44.64,;48.09,-43.18,;46.85,-42.27,;46.84,-40.73,;45.51,-39.96,;48.18,-39.96,;49.51,-40.73,;51.01,-40.31,;51.01,-38.72,;52.05,-37.49,;50.7,-37.97,;50.71,-39.45,;52.04,-39.94,;53.43,-39.6,;53.44,-38.07,;52.42,-40.87,;54.97,-39.54,;55.79,-40.84,;55.69,-38.17,)|
BDBM50334708 NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(12.45,-21.42,;11.63,-20.11,;12.35,-18.75,;10.09,-20.17,;10.1,-18.65,;8.71,-18.07,;7.67,-19.3,;7.67,-20.89,;9.08,-21.45,;6.17,-21.31,;4.84,-20.54,;3.51,-21.31,;2.17,-20.54,;3.51,-22.85,;4.76,-23.76,;4.28,-25.22,;2.74,-25.22,;2.27,-23.76,;.92,-23.01,;.14,-21.67,;1.68,-21.67,;-.4,-23.8,;-.37,-25.33,;-1.69,-26.13,;-3.04,-25.38,;-3.06,-23.83,;-1.74,-23.05,;-1.76,-21.51,;7.37,-20.03,;7.36,-18.55,;8.7,-20.52,)|
BDBM50334709 NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(54.1,-20.21,;53.28,-18.91,;54,-17.55,;51.74,-18.97,;51.75,-17.44,;50.36,-16.86,;49.32,-18.1,;49.32,-19.68,;50.73,-20.25,;47.82,-20.1,;46.49,-19.33,;45.16,-20.11,;43.82,-19.34,;45.16,-21.65,;46.41,-22.55,;45.93,-24.02,;44.39,-24.02,;43.92,-22.55,;42.57,-21.81,;41.79,-20.46,;43.33,-20.46,;41.25,-22.6,;41.28,-24.13,;39.96,-24.92,;38.61,-24.17,;38.59,-22.63,;37.24,-21.88,;39.91,-21.84,;49.02,-18.83,;49.01,-17.34,;50.35,-19.32,)|
BDBM50334710 NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(F)cc1)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(54.57,-13.07,;53.75,-11.77,;54.47,-10.41,;52.21,-11.83,;52.22,-10.3,;50.83,-9.72,;49.79,-10.96,;49.79,-12.54,;51.2,-13.11,;48.29,-12.96,;46.95,-12.19,;45.62,-12.97,;44.29,-12.2,;45.62,-14.51,;46.87,-15.41,;46.39,-16.88,;44.85,-16.88,;44.38,-15.41,;43.04,-14.67,;42.26,-13.32,;43.8,-13.32,;41.71,-15.46,;40.37,-14.7,;39.05,-15.49,;39.08,-17.03,;37.75,-17.82,;40.43,-17.78,;41.75,-16.99,;49.49,-11.69,;49.48,-10.2,;50.81,-12.18,)|
BDBM50334711 NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(17.46,-12.91,;16.64,-11.61,;17.36,-10.24,;15.1,-11.67,;15.11,-10.14,;13.72,-9.56,;12.68,-10.79,;12.68,-12.38,;14.09,-12.94,;11.18,-12.8,;9.85,-12.03,;8.51,-12.8,;7.18,-12.03,;8.52,-14.34,;9.77,-15.25,;9.29,-16.71,;7.75,-16.71,;7.27,-15.25,;5.93,-14.5,;5.15,-13.16,;6.69,-13.16,;4.61,-15.29,;4.64,-16.82,;3.32,-17.62,;1.97,-16.87,;1.94,-15.33,;3.26,-14.54,;3.25,-13,;12.38,-11.52,;12.37,-10.04,;13.71,-12.01,)|
BDBM50334712 NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wU:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(17.46,-12.91,;16.64,-11.61,;17.36,-10.24,;15.1,-11.67,;15.11,-10.14,;13.72,-9.56,;12.68,-10.79,;12.68,-12.38,;14.09,-12.94,;11.18,-12.8,;9.85,-12.03,;8.51,-12.8,;7.18,-12.03,;8.52,-14.34,;9.77,-15.25,;9.29,-16.71,;7.75,-16.71,;7.27,-15.25,;5.93,-14.5,;5.15,-13.16,;6.69,-13.16,;4.61,-15.29,;4.64,-16.82,;3.32,-17.62,;1.97,-16.87,;1.94,-15.33,;3.26,-14.54,;3.25,-13,;12.38,-11.52,;12.37,-10.04,;13.71,-12.01,)|
BDBM50334713 NC(=O)C12CC3CC(C1)C(NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wD:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(29.23,.08,;28.41,1.38,;29.13,2.75,;26.87,1.32,;26.88,2.85,;25.49,3.43,;24.45,2.19,;24.45,.61,;25.86,.05,;22.95,.19,;21.61,.96,;20.28,.19,;18.95,.95,;20.28,-1.35,;21.53,-2.26,;21.05,-3.73,;19.51,-3.73,;19.04,-2.26,;17.7,-1.51,;16.92,-.17,;18.46,-.17,;16.37,-2.3,;16.41,-3.83,;15.09,-4.63,;13.74,-3.88,;13.71,-2.34,;15.03,-1.55,;15.01,-.01,;24.15,1.47,;24.14,2.95,;25.47,.98,)|
BDBM50334714 NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wU:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(29.87,-8.72,;29.05,-7.42,;29.76,-6.06,;27.51,-7.48,;27.52,-5.95,;26.12,-5.37,;25.08,-6.61,;25.09,-8.19,;26.49,-8.76,;23.59,-8.61,;22.25,-7.85,;20.92,-8.62,;19.58,-7.85,;20.92,-10.16,;22.17,-11.07,;21.69,-12.53,;20.15,-12.53,;19.68,-11.07,;18.33,-10.32,;17.55,-8.98,;19.09,-8.98,;17.01,-11.11,;17.04,-12.64,;15.73,-13.43,;14.37,-12.68,;14.35,-11.14,;15.67,-10.35,;15.65,-8.81,;24.78,-7.34,;24.78,-5.85,;26.11,-7.83,)|
BDBM50331329 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
BDBM50331330 Cc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331331 CC(O)(c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F
BDBM50331332 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331333 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
BDBM50331334 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
BDBM50331335 CC(C)(O)c1ccc(cc1)S(=O)(=O)c1ccccc1Cl
BDBM50331336 CC(C)(F)c1ccc(cc1)S(=O)(=O)c1ccccc1Cl
BDBM50331337 CC(C)(C)c1ccc(cc1)S(=O)(=O)c1ccccc1Cl
BDBM50331338 Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccccc1Cl
BDBM50331339 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1F)C(F)(F)F
BDBM50331340 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F
BDBM50331341 CCc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331342 CC(C)c1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331343 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1C1CC1)C(F)(F)F
BDBM50331344 CC(C)(C)c1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331345 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1C#N)C(F)(F)F
BDBM50331346 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1-c1ccc(F)cc1)C(F)(F)F
BDBM50331347 CC(C)(O)c1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
BDBM50331348 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1CC(N)=O)C(F)(F)F
BDBM50331349 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(F)(F)F
BDBM50331350 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1Cl)C(F)(F)F
BDBM50331351 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)C#N)C(F)(F)F
BDBM50331352 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)[N+]([O-])=O)C(F)(F)F
BDBM50331353 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)-c1ccc(cc1)C#N)C(F)(F)F
BDBM50331354 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)-c1ccncc1)C(F)(F)F
BDBM50331355 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1Cl)C(F)(F)F
BDBM50331356 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)C(N)=O)C(F)(F)F
BDBM50331357 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(NC(N)=O)cc1Cl)C(F)(F)F
BDBM50331358 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C#N)cc1Cl)C(F)(F)F
BDBM50331359 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C(N)=O)cc1Cl)C(F)(F)F
BDBM50331360 C[C@@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)-c1ccc(cc1)C#N)C(F)(F)F |r|
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
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
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
BDBM50340431 O=C(N1CCC(CC1)c1cnc[nH]1)N1CCCc2ccccc12
BDBM50340432 CC1COc2ccccc2N1C(=O)N1CCC(CC1)c1cnc[nH]1
BDBM50340433 COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
BDBM50340434 O=C(N1CCC(CC1)c1ccn[nH]1)N1CCCc2ccccc12
BDBM50340435 O=C(N1CCC(CC1)c1cn[nH]c1)N1CCCc2ccccc12
BDBM50340436 O=C(N1CCC(CC1)c1cccnc1)N1CCCc2ccccc12
BDBM50340437 O=C(N1[C@H]2CC[C@@H]1C[C@@H](C2)c1ccn[nH]1)N1CCCc2ccccc12 |r,THB:1:2:7.8.9:4.5|
BDBM50340438 O=C(N1CCC(C1)c1cn[nH]c1)N1CCCc2ccccc12
BDBM50340439 CC1(C)CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
BDBM50340440 O=C(N1CCC(C1)c1cn[nH]c1)N1CCC2(CC2)c2ccccc12
BDBM50340441 O=C(N1CCC(C1)c1cn[nH]c1)N1CCOc2ccccc12
BDBM50340442 O=C(N1CCC(C1)c1cn[nH]c1)N1CCNc2ccccc12
BDBM50340443 CN1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
BDBM50340444 NC(=O)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
BDBM50340445 O=C(N1CCC(C1)c1cn[nH]c1)N1CCN(c2ccc(cc2)C#N)c2ccccc12
BDBM50340446 O=C(NC1CC1)c1ccc(cc1)N1CCN(C(=O)N2CCC(C2)c2cn[nH]c2)c2ccccc12
BDBM50340447 O=C(NC1CC1)c1ccc(CN2CCN(C(=O)N3CCC(C3)c3cn[nH]c3)c3ccccc23)cc1
BDBM50340448 Cn1cc(cn1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
BDBM50340449 O=C(N1CCC(CC1)c1ncc[nH]1)N1CCCc2ccccc12
BDBM50340450 O=C(N1CCC(CC1)C1=NCCN1)N1CCCc2ccccc12 |t:9|
BDBM50340451 Cc1nnc(o1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
BDBM50340452 O=C(N1CCC(CC1)c1ncon1)N1CCCc2ccccc12
BDBM50340453 Cc1nc(no1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
BDBM50340454 Cc1noc(n1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
BDBM50340455 Cc1ncc(o1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
BDBM50340456 Cc1nnc(C2CCN(CC2)C(=O)N2CCCc3ccccc23)n1C
BDBM50340457 O=C(N1[C@H]2CC[C@@H]1C[C@H](C2)c1ccn[nH]1)N1CCCc2ccccc12 |r,THB:1:2:7.8.9:4.5|
BDBM50329301 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(C)(C)O |r,wU:8.7,16.16,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,(22.08,-44.56,;20.54,-44.53,;19.79,-43.19,;21.3,-43.19,;19.75,-45.85,;18.21,-45.83,;17.46,-44.48,;17.42,-47.15,;15.88,-47.12,;14.99,-45.86,;13.52,-46.32,;13.5,-47.86,;14.95,-48.36,;12.15,-48.62,;12.14,-50.16,;10.83,-47.84,;9.49,-48.6,;9.48,-50.12,;8.46,-51.4,;7.06,-50.84,;7.05,-49.25,;8.09,-48.02,;6.74,-48.49,;6.75,-49.98,;5.56,-51.26,;8.08,-50.47,;5.41,-49.2,;4.64,-47.86,;6.18,-47.86,;4.07,-49.98,)|
BDBM50329302 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:8.7,16.16,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,(42.66,-42.33,;41.12,-42.3,;40.37,-40.95,;41.88,-40.96,;40.33,-43.62,;38.79,-43.6,;38.04,-42.25,;38,-44.92,;36.46,-44.89,;35.57,-43.63,;34.1,-44.08,;34.08,-45.63,;35.53,-46.12,;32.73,-46.39,;32.72,-47.93,;31.41,-45.61,;30.07,-46.36,;30.06,-47.89,;29.04,-49.17,;27.64,-48.6,;27.63,-47.02,;28.67,-45.78,;27.32,-46.26,;27.33,-47.75,;26.14,-49.02,;28.66,-48.24,;25.99,-46.97,;24.65,-47.74,;26,-45.43,)|
BDBM50329303 CC(C)(C)OC(=O)N[C@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:16.16,wD:8.7,23.29,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,(7.71,5.47,;6.17,5.49,;5.42,6.84,;6.93,6.84,;5.38,4.17,;3.84,4.2,;3.09,5.54,;3.05,2.88,;1.51,2.9,;.62,4.16,;-.85,3.71,;-.88,2.16,;.58,1.67,;-2.22,1.41,;-2.23,-.13,;-3.55,2.19,;-4.89,1.43,;-4.9,-.1,;-5.91,-1.37,;-7.32,-.81,;-7.32,.77,;-6.28,2.01,;-7.63,1.53,;-7.62,.05,;-8.82,-1.23,;-6.29,-.44,;-8.96,.82,;-10.31,.05,;-8.96,2.36,)|
BDBM50329304 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C#N |r,wU:8.7,16.16,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,(26.4,5.69,;24.86,5.72,;24.11,7.07,;25.62,7.06,;24.07,4.4,;22.53,4.42,;21.78,5.77,;21.74,3.1,;20.2,3.13,;19.31,4.39,;17.84,3.94,;17.81,2.39,;19.27,1.9,;16.47,1.63,;16.46,.09,;15.14,2.41,;13.8,1.66,;13.79,.13,;12.78,-1.15,;11.37,-.58,;11.37,1,;12.41,2.24,;11.06,1.76,;11.07,.27,;9.87,-1,;12.4,-.22,;9.73,1.05,;8.39,1.83,)|
BDBM50329305 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.48,-11.09,;-9.13,-10.31,;-9.13,-8.77,;-7.79,-11.09,;-8.99,-12.37,;-7.49,-11.95,;-6.08,-12.51,;-5.07,-11.23,;-6.46,-11.58,;-5.06,-9.71,;-3.72,-8.95,;-2.39,-9.73,;-2.41,-11.27,;-1.05,-8.97,;-1.02,-7.43,;.45,-6.98,;1.33,-8.24,;.41,-9.47,;2.87,-8.26,;3.67,-6.94,;5.21,-6.97,;6,-5.65,;5.25,-4.31,;3.7,-4.28,;2.92,-5.61,;2.95,-2.94,;3.73,-1.62,;1.41,-2.92,;2.16,-1.6,;-6.45,-9.13,;-7.49,-10.36,;-7.8,-9.61,)|
BDBM50329306 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccnc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(6.77,-10.92,;8.12,-10.15,;8.12,-8.61,;9.46,-10.93,;8.26,-12.2,;9.76,-11.78,;11.17,-12.35,;12.18,-11.07,;10.79,-11.42,;12.19,-9.54,;13.53,-8.79,;14.86,-9.57,;14.85,-11.11,;16.2,-8.81,;16.23,-7.26,;17.7,-6.81,;18.59,-8.07,;17.66,-9.3,;20.13,-8.1,;20.92,-6.78,;22.46,-6.81,;23.25,-5.49,;22.5,-4.14,;20.95,-4.12,;20.17,-5.44,;20.2,-2.78,;20.99,-1.45,;18.66,-2.76,;19.41,-1.44,;10.8,-8.96,;9.76,-10.2,;9.45,-9.44,)|
BDBM50329307 Cc1cc(N[C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)nc(C)n1 |r,wU:5.4,13.13,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,(41.14,-5.48,;39.6,-5.45,;38.81,-6.77,;37.27,-6.74,;36.48,-8.06,;34.94,-8.03,;34.06,-6.77,;32.59,-7.23,;32.56,-8.77,;34.02,-9.26,;31.22,-9.53,;31.2,-11.07,;29.89,-8.75,;28.55,-9.5,;28.54,-11.03,;27.53,-12.31,;26.12,-11.74,;26.12,-10.16,;27.15,-8.92,;25.81,-9.4,;25.82,-10.89,;24.62,-12.16,;27.14,-11.38,;24.48,-10.11,;23.13,-10.88,;24.48,-8.57,;36.52,-5.4,;37.31,-4.08,;36.56,-2.74,;38.86,-4.1,)|
BDBM50329308 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nnc(s1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:30:8.7.9,6:7:4.5.29:30,THB:9:7:4:29.28.30,9:28:4:8.6.7,10:9:4.5.29:30,(-10.21,-23.19,;-8.86,-22.42,;-8.86,-20.88,;-7.52,-23.19,;-8.72,-24.47,;-7.22,-24.05,;-5.81,-24.61,;-4.8,-23.34,;-6.19,-23.68,;-4.79,-21.81,;-3.44,-21.05,;-2.12,-21.83,;-2.13,-23.37,;-.78,-21.08,;-.75,-19.53,;.72,-19.08,;1.61,-20.34,;.68,-21.57,;3.15,-20.36,;3.94,-19.04,;3.33,-17.62,;4.49,-16.61,;5.81,-17.4,;5.47,-18.9,;7.23,-16.8,;8.46,-17.72,;7.42,-15.27,;8.56,-16.01,;-6.18,-21.23,;-7.22,-22.47,;-7.53,-21.71,)|
BDBM50329309 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(7.67,-22.53,;9.01,-21.75,;9.02,-20.21,;10.35,-22.53,;9.16,-23.81,;10.66,-23.39,;12.06,-23.95,;13.08,-22.68,;11.68,-23.02,;13.09,-21.15,;14.43,-20.39,;15.75,-21.17,;15.74,-22.71,;17.1,-20.41,;17.12,-18.87,;18.6,-18.42,;19.48,-19.68,;18.55,-20.91,;21.02,-19.7,;21.81,-18.38,;21.06,-17.05,;21.85,-15.73,;23.39,-15.75,;24.14,-17.09,;23.35,-18.41,;24.1,-19.76,;23.3,-21.08,;25.64,-19.79,;24.86,-21.09,;11.69,-20.57,;10.65,-21.8,;10.35,-21.05,)|
BDBM50329310 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1cc(ccn1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(25.09,-21.61,;26.44,-20.84,;26.44,-19.3,;27.78,-21.61,;26.58,-22.89,;28.08,-22.47,;29.49,-23.04,;30.5,-21.76,;29.1,-22.1,;30.51,-20.23,;31.85,-19.47,;33.18,-20.25,;33.16,-21.79,;34.52,-19.5,;34.55,-17.95,;36.02,-17.5,;36.9,-18.76,;35.98,-19.99,;38.44,-18.78,;39.23,-17.46,;40.77,-17.5,;41.56,-16.18,;40.82,-14.83,;39.27,-14.81,;38.48,-16.13,;43.1,-16.2,;43.85,-17.55,;43.9,-14.88,;44.64,-16.2,;29.11,-19.65,;28.08,-20.89,;27.77,-20.13,)|
BDBM50329311 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.14,-33.31,;-8.79,-32.53,;-8.79,-30.99,;-7.45,-33.31,;-8.65,-34.59,;-7.15,-34.17,;-5.74,-34.73,;-4.73,-33.46,;-6.12,-33.8,;-4.72,-31.93,;-3.37,-31.17,;-2.05,-31.95,;-2.06,-33.49,;-.71,-31.19,;-.68,-29.65,;.79,-29.2,;1.68,-30.46,;.75,-31.69,;3.22,-30.48,;4.01,-29.16,;5.55,-29.19,;6.34,-27.87,;5.59,-26.53,;4.04,-26.51,;3.26,-27.83,;6.38,-25.2,;7.92,-25.23,;5.63,-23.86,;7.14,-23.86,;-6.11,-31.35,;-7.15,-32.58,;-7.46,-31.83,)|
BDBM50329312 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1cccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(4.49,-33.95,;5.83,-33.18,;5.84,-31.64,;7.17,-33.96,;5.98,-35.23,;7.48,-34.81,;8.88,-35.38,;9.9,-34.1,;8.5,-34.45,;9.91,-32.57,;11.25,-31.82,;12.57,-32.6,;12.56,-34.14,;13.92,-31.84,;13.94,-30.29,;15.41,-29.84,;16.3,-31.1,;15.37,-32.33,;17.84,-31.13,;18.63,-29.81,;20.17,-29.84,;20.96,-28.52,;20.21,-27.17,;18.66,-27.15,;17.88,-28.47,;17.91,-25.81,;18.7,-24.48,;16.37,-25.79,;17.13,-24.47,;8.51,-31.99,;7.47,-33.23,;7.16,-32.47,)|
BDBM50329313 NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
BDBM50329314 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-11.32,-46.08,;-9.96,-45.31,;-9.95,-43.77,;-8.62,-46.08,;-9.81,-47.36,;-8.31,-46.94,;-6.91,-47.5,;-5.89,-46.23,;-7.29,-46.57,;-5.88,-44.7,;-4.54,-43.94,;-3.22,-44.72,;-3.23,-46.26,;-1.87,-43.97,;-1.85,-42.42,;-.37,-41.97,;.51,-43.23,;-.42,-44.46,;2.05,-43.25,;2.84,-41.93,;4.38,-41.96,;5.17,-40.64,;4.42,-39.3,;2.88,-39.28,;2.09,-40.6,;5.21,-37.98,;6.75,-38,;4.46,-36.63,;5.97,-36.63,;-7.28,-44.12,;-8.32,-45.36,;-8.62,-44.6,)|
BDBM50329315 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(3.85,-46.65,;5.2,-45.88,;5.2,-44.34,;6.53,-46.66,;5.34,-47.93,;6.84,-47.51,;8.24,-48.08,;9.26,-46.8,;7.86,-47.15,;9.27,-45.27,;10.61,-44.52,;11.94,-45.3,;11.92,-46.84,;13.28,-44.54,;13.3,-43,;14.78,-42.54,;15.66,-43.8,;14.74,-45.03,;17.2,-43.83,;17.99,-42.51,;17.24,-41.17,;18.03,-39.85,;19.58,-39.87,;20.32,-41.22,;19.53,-42.54,;20.28,-43.88,;21.03,-45.23,;7.87,-44.69,;6.83,-45.93,;6.53,-45.17,)|
BDBM50329316 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(23.78,-45.32,;25.12,-44.54,;25.13,-43,;26.46,-45.32,;25.26,-46.6,;26.77,-46.18,;28.17,-46.74,;29.18,-45.46,;27.79,-45.81,;29.2,-43.94,;30.54,-43.18,;31.86,-43.96,;31.85,-45.5,;33.2,-43.2,;33.23,-41.66,;34.7,-41.21,;35.59,-42.47,;34.66,-43.7,;37.13,-42.49,;37.92,-41.17,;39.46,-41.2,;40.25,-39.88,;39.5,-38.54,;37.95,-38.51,;37.17,-39.84,;40.29,-37.21,;41.08,-35.89,;27.8,-43.36,;26.76,-44.59,;26.45,-43.84,)|
BDBM50329317 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(2.39,-49.17,;3.73,-48.39,;3.74,-46.85,;5.07,-49.17,;3.88,-50.45,;5.38,-50.03,;6.78,-50.59,;7.8,-49.31,;6.4,-49.66,;7.81,-47.79,;9.15,-47.03,;10.47,-47.81,;10.46,-49.35,;11.82,-47.05,;11.84,-45.51,;13.31,-45.06,;14.2,-46.32,;13.27,-47.55,;15.74,-46.34,;16.53,-45.02,;15.78,-43.69,;16.56,-42.36,;18.11,-42.39,;18.86,-43.73,;18.07,-45.05,;18.82,-46.4,;19.56,-47.74,;6.41,-47.21,;5.37,-48.44,;5.06,-47.69,)|
BDBM50329318 NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ccc(cn1)C#N)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(23.94,-49.07,;25.29,-48.29,;25.29,-46.75,;26.62,-49.07,;25.43,-50.35,;26.93,-49.93,;28.33,-50.49,;29.35,-49.21,;27.95,-49.56,;29.36,-47.69,;30.7,-46.93,;32.03,-47.71,;32.01,-49.25,;33.37,-46.95,;33.39,-45.41,;34.87,-44.95,;35.75,-46.21,;34.83,-47.45,;37.29,-46.24,;38.08,-44.92,;39.62,-44.95,;40.41,-43.63,;39.67,-42.28,;38.12,-42.26,;37.33,-43.58,;40.45,-40.96,;41.24,-39.64,;27.96,-47.11,;26.92,-48.34,;26.62,-47.58,)|
BDBM50329287 O=C(OC1C2CC3CC(C2)CC1C3)N1CCCCC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(10.68,1.46,;10.69,3,;9.37,3.78,;8.02,3.03,;8.01,1.5,;6.62,1.15,;5.29,1.64,;4.09,.37,;5.59,.79,;7,.22,;5.59,2.37,;6.63,3.61,;5.28,3.13,;12.03,3.76,;13.36,2.97,;14.69,3.72,;14.71,5.26,;13.39,6.05,;12.04,5.3,)|
BDBM50329288 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(33.72,4.21,;32.18,4.23,;31.44,5.58,;32.95,5.58,;31.39,2.91,;29.85,2.94,;29.11,4.28,;29.06,1.62,;27.52,1.64,;26.64,2.9,;25.17,2.45,;25.14,.9,;26.6,.41,;23.8,.15,;23.78,-1.39,;22.47,.93,;21.13,.17,;21.12,-1.36,;19.72,-1.7,;18.4,-1.21,;17.2,-2.49,;18.7,-2.07,;20.11,-2.63,;18.7,-.49,;19.73,.75,;18.39,.27,)|
BDBM50329289 CCOC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:6.5,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(5.15,-3.67,;3.61,-3.64,;2.82,-4.97,;1.28,-4.94,;.53,-3.59,;.49,-6.26,;-1.05,-6.24,;-1.94,-4.98,;-3.41,-5.43,;-3.44,-6.97,;-1.98,-7.47,;-4.78,-7.73,;-4.79,-9.27,;-6.1,-6.95,;-7.45,-7.71,;-7.46,-9.24,;-8.85,-9.58,;-10.18,-9.09,;-11.38,-10.37,;-9.88,-9.95,;-8.47,-10.51,;-9.88,-8.36,;-8.84,-7.13,;-10.19,-7.61,)|
BDBM50329290 CC(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:7.6,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(16.75,-5.72,;15.21,-5.69,;14.46,-4.34,;14.41,-7.01,;12.87,-6.99,;12.13,-5.64,;12.08,-8.31,;10.54,-8.28,;9.66,-7.02,;8.19,-7.47,;8.16,-9.02,;9.62,-9.51,;6.82,-9.78,;6.8,-11.32,;5.49,-9,;4.15,-9.75,;4.14,-11.28,;2.74,-11.63,;1.42,-11.14,;.22,-12.41,;1.72,-11.99,;3.13,-12.56,;1.72,-10.41,;2.76,-9.17,;1.41,-9.65,)|
BDBM50329291 CCCOC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:7.6,TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(35.18,-1.92,;34.39,-3.24,;32.85,-3.22,;32.06,-4.54,;30.52,-4.51,;29.77,-3.17,;29.73,-5.83,;28.19,-5.81,;27.31,-4.55,;25.83,-5,;25.81,-6.55,;27.27,-7.04,;24.47,-7.3,;24.45,-8.84,;23.14,-6.52,;21.8,-7.28,;21.79,-8.81,;20.39,-9.15,;19.06,-8.66,;17.87,-9.94,;19.37,-9.52,;20.77,-10.09,;19.36,-7.94,;20.4,-6.7,;19.06,-7.18,)|
BDBM50329292 CC(C)COC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(5.77,-14.44,;4.98,-15.76,;5.73,-17.11,;3.44,-15.74,;2.65,-17.06,;1.11,-17.04,;.36,-15.69,;.32,-18.36,;-1.22,-18.33,;-2.11,-17.07,;-3.58,-17.52,;-3.61,-19.07,;-2.15,-19.56,;-4.95,-19.83,;-4.96,-21.37,;-6.28,-19.04,;-7.62,-19.8,;-7.63,-21.33,;-9.02,-21.68,;-10.35,-21.19,;-11.55,-22.46,;-10.05,-22.04,;-8.64,-22.61,;-10.05,-20.46,;-9.01,-19.22,;-10.36,-19.7,)|
BDBM50329293 O=C(N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3)OCc1ccccc1 |r,wU:3.2,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(15.71,-16.06,;16.45,-17.4,;15.66,-18.72,;14.12,-18.7,;13.24,-17.44,;11.77,-17.89,;11.74,-19.44,;13.2,-19.93,;10.4,-20.19,;10.38,-21.73,;9.07,-19.41,;7.73,-20.17,;7.72,-21.7,;6.32,-22.04,;4.99,-21.55,;3.8,-22.83,;5.3,-22.41,;6.7,-22.97,;5.29,-20.83,;6.33,-19.59,;4.99,-20.07,;17.99,-17.43,;18.79,-16.11,;20.33,-16.13,;21.07,-17.48,;22.61,-17.5,;23.4,-16.18,;22.64,-14.83,;21.11,-14.81,)|
BDBM50329294 CC(C)(C)CC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(38.7,-14.79,;37.16,-14.77,;36.41,-13.42,;37.92,-13.42,;36.37,-16.09,;34.83,-16.06,;34.08,-14.72,;34.04,-17.38,;32.5,-17.36,;31.62,-16.1,;30.14,-16.55,;30.12,-18.1,;31.57,-18.59,;28.77,-18.85,;28.76,-20.39,;27.45,-18.07,;26.11,-18.83,;26.1,-20.36,;24.7,-20.7,;23.37,-20.21,;22.18,-21.49,;23.68,-21.07,;25.08,-21.64,;23.67,-19.49,;24.71,-18.25,;23.37,-18.73,)|
BDBM50329295 CN([C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C |r,wU:2.1,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:10:11:14:17.18.19,10:18:14:12.16.11,9:10:14.15.17:19,(2.39,-29.14,;1.64,-27.79,;.1,-27.77,;-.79,-26.51,;-2.26,-26.96,;-2.29,-28.5,;-.83,-29,;-3.63,-29.26,;-3.64,-30.8,;-4.95,-28.48,;-6.29,-29.24,;-6.31,-30.76,;-7.7,-31.11,;-9.03,-30.62,;-10.23,-31.9,;-8.72,-31.48,;-7.32,-32.04,;-8.73,-29.89,;-7.69,-28.66,;-9.04,-29.14,;2.43,-26.47,;1.68,-25.12,;3.97,-26.49,;4.76,-25.17,;6.3,-25.2,;4.01,-23.83,;5.52,-23.83,)|
BDBM50329296 CC(C)(C)OC(=O)N(Cc1ccccc1)[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:15.15,TLB:29:28:32:25.24.23,29:24:27.28.30:32,THB:23:24:27:30.31.32,23:31:27:25.29.24,22:23:27.28.30:32,(22.47,-24.3,;20.93,-24.28,;20.18,-22.93,;21.69,-22.94,;20.14,-25.6,;18.6,-25.58,;17.85,-24.23,;17.81,-26.9,;18.56,-28.24,;20.1,-28.27,;20.84,-29.61,;22.38,-29.64,;23.17,-28.32,;22.42,-26.97,;20.88,-26.95,;16.27,-26.87,;15.38,-25.61,;13.91,-26.06,;13.88,-27.61,;15.34,-28.1,;12.54,-28.37,;12.53,-29.91,;11.22,-27.58,;9.88,-28.34,;9.86,-29.87,;8.47,-30.22,;7.14,-29.73,;5.94,-31,;7.45,-30.58,;8.85,-31.15,;7.44,-29,;8.48,-27.76,;7.13,-28.24,)|
BDBM50329297 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:25:20.21.22,15:16:25.19.20:22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(6.15,-33.79,;4.61,-33.76,;3.86,-32.41,;5.37,-32.42,;3.82,-35.08,;2.28,-35.06,;1.53,-33.71,;1.49,-36.38,;-.05,-36.35,;-.93,-35.09,;-2.41,-35.54,;-2.43,-37.09,;-.98,-37.58,;-3.78,-37.85,;-3.79,-39.39,;-5.1,-37.07,;-6.44,-37.82,;-6.45,-39.35,;-7.47,-40.63,;-8.87,-40.06,;-8.88,-38.48,;-7.84,-37.24,;-9.18,-37.72,;-9.18,-39.21,;-10.52,-38.43,;-10.37,-40.48,;-7.85,-39.7,)|
BDBM50329298 CC(=O)N[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2 |r,wU:17.20,10.11,wD:4.3,TLB:7:6:29:9.8.10,7:8:5.6.28:29,THB:10:8:5:28.27.29,10:27:5:9.7.8,11:10:5.6.28:29,(6.47,-37.02,;7.8,-37.8,;7.8,-39.34,;9.14,-37.03,;10.48,-37.81,;9.28,-39.08,;10.78,-38.66,;12.19,-39.23,;13.2,-37.95,;11.81,-38.3,;13.21,-36.42,;14.55,-35.67,;15.88,-36.45,;15.86,-37.99,;17.22,-35.69,;17.25,-34.14,;18.72,-33.69,;19.6,-34.95,;18.68,-36.18,;21.14,-34.98,;21.94,-33.66,;21.19,-32.31,;23.48,-33.68,;24.27,-32.36,;25.81,-32.39,;23.52,-31.01,;25.03,-31.02,;11.82,-35.84,;10.78,-37.08,;10.47,-36.32,)|
BDBM50329299 COC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)NC(=O)OC(C)(C)C)C(C3)C2 |r,wU:17.20,10.11,wD:4.3,TLB:7:6:29:9.8.10,7:8:5.6.28:29,THB:10:8:5:28.27.29,10:27:5:9.7.8,11:10:5.6.28:29,(22.87,-36.96,;24.2,-37.73,;25.55,-36.96,;25.55,-35.41,;26.89,-37.74,;25.69,-39.01,;27.19,-38.59,;28.6,-39.16,;29.61,-37.88,;28.22,-38.23,;29.62,-36.35,;30.96,-35.6,;32.29,-36.38,;32.28,-37.92,;33.63,-35.62,;33.66,-34.07,;35.13,-33.62,;36.02,-34.88,;35.09,-36.11,;37.56,-34.91,;38.35,-33.59,;37.6,-32.24,;39.89,-33.61,;40.68,-32.29,;42.22,-32.32,;39.93,-30.94,;41.44,-30.95,;28.23,-35.77,;27.19,-37.01,;26.88,-36.25,)|
BDBM50329300 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](CO)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:26:20.21.22,15:16:26.19.20:22,THB:18:19:22:27.17.16,18:17:26.19.20:22,16:21:26:27.18.17,(8,-43.38,;6.46,-43.35,;5.71,-42,;7.22,-42.01,;5.66,-44.67,;4.12,-44.65,;3.38,-43.3,;3.33,-45.97,;1.79,-45.94,;.91,-44.68,;-.56,-45.13,;-.59,-46.68,;.87,-47.17,;-1.93,-47.44,;-1.95,-48.98,;-3.26,-46.66,;-4.6,-47.41,;-4.61,-48.94,;-5.62,-50.22,;-7.03,-49.65,;-7.03,-48.07,;-5.99,-46.83,;-7.34,-47.31,;-7.33,-48.8,;-8.67,-48.02,;-10.02,-48.79,;-8.53,-50.07,;-6.01,-49.29,)|
BDBM50331361 C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)-c1ccc(cc1)C#N)C(F)(F)F |r|
BDBM50331362 C[C@@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1C1CC1)-c1ccc(cc1)C#N)C(F)(F)F |r|
BDBM50331363 C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1C1CC1)-c1ccc(cc1)C#N)C(F)(F)F |r|
BDBM50331364 C[C@@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1CCF)-c1ccc(cc1)C#N)C(F)(F)F |r|
BDBM50331365 C[C@](O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1CCF)-c1ccc(cc1)C#N)C(F)(F)F |r|
BDBM50340791 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(N)cc1
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
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
BDBM50329187 CON[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:17|
BDBM50329188 CON[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:17|
BDBM50329189 CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:18|
BDBM50329190 CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O |r,t:11|
BDBM50329191 CO\N=C1/CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C |r,t:17|
BDBM50329192 CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
BDBM50329193 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)NO)C1(C)C |r,t:18|
BDBM50329194 CONC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
BDBM50329195 CC1(C)[C@@H](O)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)NO |r,t:19|
BDBM50331328 CC(O)(c1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F
BDBM50260794 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(O)c(F)c1
BDBM50260704 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1Cl
BDBM50260705 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1
BDBM50260707 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccccc1F
BDBM50260708 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(F)c1
BDBM50260878 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Oc2ccccc2)cc1
BDBM50294772 CCN1CCN(CC1)C(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(30.77,-18.12,;29.44,-17.35,;28.1,-18.12,;28.1,-19.66,;26.77,-20.42,;25.44,-19.65,;25.43,-18.12,;26.77,-17.35,;24.11,-20.43,;24.11,-21.97,;22.77,-19.66,;21.44,-20.43,;20.1,-19.67,;18.77,-20.44,;18.78,-21.98,;17.44,-19.67,;16.15,-20.53,;16.14,-22.06,;14.75,-22.4,;13.42,-21.92,;12.22,-23.2,;13.72,-22.78,;15.13,-23.33,;13.72,-21.18,;14.76,-19.96,;13.41,-20.43,;20.2,-21.35,;20.69,-22.81,;22.23,-22.79,;22.69,-21.32,)|
BDBM50294773 O=C(CC1(CC(=O)N2CCCC2)CCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(-2.8,-30.55,;-2.81,-29.01,;-1.47,-28.24,;-.14,-29,;1.19,-28.23,;2.53,-29,;2.53,-30.54,;3.86,-28.22,;5.27,-28.84,;6.3,-27.7,;5.52,-26.36,;4.02,-26.69,;-1.38,-29.92,;-.89,-31.38,;.65,-31.37,;1.11,-29.9,;-4.14,-28.25,;-5.42,-29.1,;-5.43,-30.63,;-6.83,-30.97,;-8.16,-30.49,;-9.36,-31.77,;-7.85,-31.35,;-6.45,-31.91,;-7.86,-29.76,;-6.82,-28.53,;-8.17,-29,)|
BDBM50294774 O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(24.92,-29.6,;24.92,-28.06,;23.58,-27.3,;22.25,-28.07,;20.91,-27.3,;19.58,-28.08,;19.59,-29.62,;18.25,-27.31,;16.96,-28.17,;16.95,-29.69,;15.56,-30.04,;14.23,-29.56,;13.03,-30.83,;14.53,-30.41,;15.94,-30.97,;14.53,-28.82,;15.57,-27.59,;14.22,-28.07,;21.01,-28.99,;21.5,-30.45,;23.04,-30.43,;23.5,-28.96,;26.25,-27.29,;27.58,-28.06,;28.36,-29.39,;29.12,-28.05,)|
BDBM50294775 O=C(CCCC(=O)NC1C2CC3CC(C2)CC1C3)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(2.3,-37.64,;2.3,-36.1,;.96,-35.34,;-.37,-36.11,;-1.71,-35.34,;-3.04,-36.12,;-3.03,-37.66,;-4.37,-35.35,;-5.66,-36.2,;-5.67,-37.73,;-7.06,-38.08,;-8.39,-37.6,;-9.59,-38.87,;-8.09,-38.45,;-6.68,-39.01,;-8.09,-36.86,;-7.05,-35.63,;-8.4,-36.1,;3.63,-35.33,;4.96,-36.09,;5.74,-37.42,;6.51,-36.09,)|
BDBM50294776 CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(21.36,-36.48,;22.43,-35.36,;23.51,-36.45,;23.76,-34.59,;25.09,-35.36,;25.1,-36.9,;26.42,-34.58,;27.76,-35.35,;28.54,-36.68,;29.3,-35.34,;21.09,-34.6,;19.76,-35.37,;19.76,-36.91,;18.42,-34.6,;17.14,-35.46,;17.13,-36.99,;15.73,-37.33,;14.41,-36.85,;13.21,-38.13,;14.71,-37.71,;16.12,-38.26,;14.71,-36.12,;15.74,-34.89,;14.4,-35.36,)|
BDBM50294777 O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1)NC1CC1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:7:8:12.13.15:17,8:9:12:15.16.17,8:16:12:10.14.9,(1.91,-43.51,;1.91,-41.97,;.57,-41.21,;-.76,-41.98,;-2.1,-41.22,;-3.43,-41.99,;-3.42,-43.53,;-4.76,-41.22,;-6.05,-42.08,;-6.06,-43.61,;-7.45,-43.95,;-8.78,-43.47,;-9.98,-44.75,;-8.48,-44.33,;-7.07,-44.88,;-8.48,-42.73,;-7.44,-41.51,;-8.79,-41.98,;-2.1,-42.74,;-2.11,-44.27,;-.78,-45.05,;.55,-44.29,;.57,-42.75,;3.24,-41.2,;4.58,-41.97,;5.35,-43.29,;6.12,-41.96,)|
BDBM50294778 CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccc(Cl)cc1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(20.7,-43.65,;21.8,-42.57,;22.88,-43.65,;20.46,-41.8,;19.13,-42.58,;19.13,-44.12,;17.79,-41.81,;16.51,-42.66,;16.5,-44.19,;15.1,-44.54,;13.78,-44.06,;12.58,-45.33,;14.08,-44.91,;15.49,-45.47,;14.08,-43.32,;15.12,-42.09,;13.77,-42.56,;23.13,-41.79,;24.46,-42.56,;25.84,-41.85,;26.93,-42.93,;26.25,-44.3,;24.72,-44.08,;28.47,-42.93,;29.23,-44.27,;30.77,-44.28,;31.55,-42.94,;33.09,-42.95,;30.77,-41.6,;29.24,-41.6,)|
BDBM50294779 CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)-c1ccccn1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(-1.74,3.17,;-.64,4.25,;.44,3.17,;-1.98,5.02,;-3.31,4.24,;-3.31,2.7,;-4.65,5.01,;-5.93,4.15,;-5.94,2.63,;-7.34,2.28,;-8.66,2.76,;-9.86,1.49,;-8.36,1.91,;-6.95,1.35,;-8.36,3.5,;-7.32,4.73,;-8.67,4.25,;.69,5.02,;2.02,4.26,;3.4,4.97,;4.49,3.89,;3.81,2.51,;2.28,2.74,;6.03,3.88,;6.79,2.55,;8.33,2.54,;9.1,3.87,;8.33,5.21,;6.79,5.21,)|
BDBM50294780 CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)C1CC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(19.12,3.89,;20.22,4.97,;21.3,3.89,;18.88,5.74,;17.55,4.96,;17.55,3.42,;16.21,5.73,;14.93,4.88,;14.92,3.35,;13.52,3,;12.2,3.49,;11,2.21,;12.5,2.63,;13.91,2.07,;12.5,4.22,;13.54,5.45,;12.19,4.98,;21.55,5.75,;22.88,4.98,;24.26,5.69,;25.35,4.61,;24.67,3.24,;23.14,3.46,;26.89,4.61,;28.22,3.83,;28.22,5.37,)|
BDBM50294781 CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)|
BDBM50294782 CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(O)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(20.7,-3.32,;21.8,-2.23,;22.88,-3.32,;23.13,-1.47,;24.46,-2.25,;24.46,-3.79,;25.8,-1.48,;27.13,-2.26,;27.9,-3.59,;28.67,-2.26,;20.47,-1.46,;19.13,-2.22,;19.12,-3.76,;17.8,-1.45,;16.53,-2.32,;16.55,-3.83,;15.61,-4.9,;14.23,-4.34,;14.27,-2.93,;15.11,-1.76,;13.55,-2.23,;13.54,-3.74,;12.6,-4.98,;15.02,-4.34,;12,-3.73,;11.22,-5.06,;11.24,-2.39,)|
BDBM50294783 CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)|
BDBM50294784 OC(=O)CC1(CC(=O)NCc2ccc(F)cc2Cl)CCCC1
BDBM50294785 CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:14.14,21.23,TLB:18:17:24:20.19.14,18:19:23.17.16:24,14:15:23:20.18.19,THB:14:19:23:16.15.24,13:14:23.17.16:24,(-.41,-18.77,;.69,-17.68,;1.77,-18.77,;2.03,-16.92,;3.36,-17.69,;3.35,-19.23,;4.69,-16.93,;6.02,-17.71,;6.79,-19.04,;7.57,-17.71,;-.64,-16.91,;-1.98,-17.67,;-1.99,-19.21,;-3.31,-16.89,;-4.58,-17.77,;-4.56,-19.27,;-6.09,-19.78,;-7.57,-19.19,;-7.56,-17.68,;-6,-17.21,;-6.84,-18.38,;-6.88,-19.79,;-6.89,-21.33,;-8.51,-20.43,;-5.5,-20.35,)|
BDBM50294786 OC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:9:10:13:16.17.18,9:17:13:11.15.10,8:9:13.14.16:18,(24.62,-42,;23.29,-41.23,;23.29,-39.69,;21.95,-42,;20.62,-41.22,;19.28,-42,;17.95,-41.23,;17.95,-39.69,;16.62,-42,;15.34,-41.15,;15.33,-39.62,;13.93,-39.27,;12.6,-39.75,;11.41,-38.47,;12.91,-38.89,;14.32,-38.34,;12.9,-40.49,;13.94,-41.71,;12.59,-41.24,;19.36,-40.34,;19.81,-38.87,;21.35,-38.84,;21.85,-40.3,)|
BDBM50296705 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3cccc4ccccc34)CC2)cc1)(Oc1ccccc1)C(O)=O
BDBM50296706 CC(C)(C)c1ccc(CN2CCN(CC2)c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(O)=O)cc3)nc(N)n2)cc1
BDBM50296707 Cc1cccc(CN2CCN(CC2)c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(O)=O)cc3)nc(N)n2)c1
BDBM50296708 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)cc1)(Oc1ccccc1)C(O)=O
BDBM50321150 [O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321151 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1
BDBM50321152 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1OC(F)(F)F
BDBM50321153 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(Br)c1
BDBM50321154 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(Cl)c1
BDBM50260880 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1
BDBM50260881 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-n1cccc1
BDBM50260882 Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1nccs1
BDBM50321155 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(OC(F)(F)F)c1
BDBM50321156 CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321157 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cccc(F)c1
BDBM50321158 COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321159 CS(=O)(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321160 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C#N
BDBM50321161 Cc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50321162 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C#N
BDBM50321163 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
BDBM50321164 Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(Br)cc1
BDBM50260795 COc1ccc(cc1F)-c1nnc(n1C)C1(CCC1)c1ccc(Cl)cc1
BDBM50296710 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2ccccc2)cc1)(Oc1ccccc1)C(O)=O
BDBM50296711 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)c2cccc(Cl)c2)cc1)(Oc1ccccc1)C(O)=O
BDBM50294764 CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)|
BDBM50294765 Fc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:14:15:18:21.22.23,14:22:18:16.20.15,13:14:18.19.21:23,(8.39,2.65,;7.05,3.42,;5.72,2.65,;4.39,3.41,;4.39,4.96,;3.05,5.73,;1.72,4.96,;1.72,3.42,;.38,5.72,;-.95,4.95,;-2.28,5.72,;-3.61,4.94,;-3.61,3.4,;-4.95,5.71,;-6.23,4.85,;-6.24,3.33,;-7.64,2.98,;-8.97,3.46,;-10.16,2.19,;-8.66,2.61,;-7.26,2.05,;-8.67,4.2,;-7.63,5.43,;-8.98,4.95,;-2.19,4.03,;-1.7,2.57,;-.16,2.59,;.31,4.06,;5.71,5.73,;7.04,4.97,)|
BDBM50294766 O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccc1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(24.76,3.6,;24.75,5.14,;23.42,5.9,;22.09,5.13,;20.75,5.9,;19.42,5.12,;19.42,3.58,;18.08,5.89,;16.8,5.03,;16.79,3.51,;15.39,3.16,;14.07,3.64,;12.87,2.36,;14.37,2.79,;15.78,2.23,;14.37,4.38,;15.4,5.61,;14.06,5.13,;20.85,4.21,;21.34,2.75,;22.88,2.77,;23.34,4.24,;26.09,5.91,;27.42,5.14,;27.43,3.6,;26.08,2.83,;26.08,1.29,;27.42,.52,;28.76,1.3,;28.75,2.84,)|
BDBM50294767 COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)|
BDBM50294768 COc1ccc(NC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(30.63,-7.21,;30.62,-5.67,;29.29,-4.9,;27.95,-5.68,;26.62,-4.91,;26.62,-3.36,;25.28,-2.59,;23.95,-3.37,;23.95,-4.91,;22.62,-2.6,;21.28,-3.37,;19.95,-2.61,;18.62,-3.38,;18.62,-4.92,;17.28,-2.61,;16,-3.47,;15.99,-5,;14.59,-5.34,;13.26,-4.86,;12.07,-6.14,;13.57,-5.72,;14.97,-6.27,;13.56,-4.13,;14.6,-2.9,;13.26,-3.37,;20.05,-4.29,;20.54,-5.75,;22.08,-5.73,;22.54,-4.27,;27.94,-2.6,;29.28,-3.36,)|
BDBM50294769 Fc1ccc(CNC(=O)CC2(CC(=O)NC3C4CC5CC(C4)CC3C5)CCCC2)cc1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.29,-7.96,;7.96,-8.73,;7.96,-10.27,;6.63,-11.05,;5.3,-10.27,;3.97,-11.05,;2.63,-10.28,;1.3,-11.05,;1.3,-12.59,;-.04,-10.29,;-1.37,-11.06,;-2.7,-10.29,;-4.04,-11.07,;-4.03,-12.61,;-5.37,-10.3,;-6.65,-11.15,;-6.66,-12.68,;-8.06,-13.03,;-9.39,-12.55,;-10.59,-13.82,;-9.08,-13.4,;-7.68,-13.96,;-9.09,-11.81,;-8.05,-10.58,;-9.4,-11.05,;-2.61,-11.98,;-2.12,-13.44,;-.58,-13.42,;-.11,-11.95,;5.29,-8.74,;6.61,-7.97,)|
BDBM50294770 O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 |TLB:14:13:17:10.9.8,14:9:12.13.15:17,THB:8:9:12:15.16.17,8:16:12:10.14.9,7:8:12.13.15:17,(23,-13.1,;23,-11.56,;21.66,-10.79,;20.33,-11.56,;18.99,-10.8,;17.66,-11.57,;17.66,-13.11,;16.32,-10.81,;15.04,-11.66,;15.03,-13.19,;13.64,-13.53,;12.31,-13.05,;11.11,-14.33,;12.61,-13.91,;14.02,-14.47,;12.61,-12.32,;13.65,-11.09,;12.3,-11.56,;19.09,-12.48,;19.58,-13.94,;21.12,-13.93,;21.58,-12.46,;24.33,-10.79,;25.66,-11.55,;27,-10.78,;28.32,-11.55,;29.65,-10.78,;29.65,-9.24,;28.31,-8.47,;26.98,-9.25,)|
BDBM50294771 CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)|
BDBM50295398 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(O)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295399 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(OC(F)F)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295400 CCOc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295401 COCCOc1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295402 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(OCCN(C)C)cc1Cl)c1ccc(F)cc1C(F)(F)F |r|
BDBM50295403 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)C#N)c1ccc(F)cc1C(F)(F)F |r|
BDBM50296701 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC2)C(=O)c2ccccc2)cc1)(Oc1ccccc1)C(O)=O
BDBM50296702 CCCc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(Oc2ccc(CC(C)(Oc3ccccc3)C(O)=O)cc2)nc(N)n1
BDBM50296703 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(CC3CCCCC3)CC2)cc1)(Oc1ccccc1)C(O)=O
BDBM50296704 CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3ccccc3)CC2)cc1)(Oc1ccccc1)C(O)=O
BDBM50358118 COc1cccc(-c2ccc(s2)C(=O)N(C)Cc2cccc(O)c2)c1F
BDBM50356333 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:14:4:7.6.13:9.10.11,13:12:10:7.6.8,THB:14:4:10:7.6.8,13:7:10:4.12.11,3:4:7.6.13:9.10.11,8:7:4:9.10.11,8:9:4:7.6.13,(-3.97,.7,;-2.43,.85,;-1.8,2.25,;-1.54,-.41,;-0,-.26,;1.37,.44,;1.37,1.84,;2.21,3.31,;3.58,2.61,;3.58,1.22,;2.74,-.26,;2.21,.52,;.83,1.22,;.83,2.61,;-.23,-1.78,;.98,-2.73,;.76,-4.26,;-.67,-4.83,;-.89,-6.35,;-1.88,-3.88,;-1.66,-2.35,)|
BDBM50356334 OC(=O)CC1(CCc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(25.04,-5.78,;26.38,-6.56,;27.72,-5.79,;26.37,-8.11,;27.72,-8.89,;26.98,-10.25,;25.43,-10.28,;24.69,-11.63,;23.15,-11.66,;22.41,-13.01,;23.21,-14.33,;24.76,-14.29,;25.49,-12.94,;28.93,-7.61,;30.27,-8.1,;31.67,-7.75,;31.68,-6.21,;30.28,-5.63,;28.92,-6.11,;29.23,-6.87,;29.24,-8.47,;30.65,-9.04,)|
BDBM50356335 OC(=O)CC1(Cc2cccc(Cl)c2)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(10.51,-8.67,;11.84,-9.44,;13.18,-8.67,;11.84,-10.98,;13.18,-11.76,;12.44,-13.11,;10.9,-13.14,;10.16,-14.48,;8.63,-14.52,;7.83,-13.19,;8.57,-11.84,;7.78,-10.52,;10.11,-11.82,;14.38,-10.48,;15.71,-10.98,;17.1,-10.63,;17.12,-9.1,;15.72,-8.52,;14.37,-9,;14.68,-9.76,;14.68,-11.34,;16.09,-11.91,)|
BDBM50356336 OC(=O)CC1(Cc2ccccc2Cl)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,3:4:14.21.15:19.17.18,THB:21:15:4.20.19:18,16:15:4:19.17.18,16:17:4:14.21.15,3:4:18:14.15.16,5:4:14.21.15:19.17.18,(-6.8,-7.84,;-5.47,-8.62,;-4.13,-7.85,;-5.47,-10.16,;-4.13,-10.94,;-4.87,-12.29,;-6.41,-12.32,;-7.2,-10.99,;-8.74,-11.02,;-9.48,-12.37,;-8.68,-13.69,;-7.15,-13.66,;-6.35,-14.97,;-2.93,-9.66,;-1.6,-10.15,;-.21,-9.8,;-.2,-8.27,;-1.59,-7.69,;-2.94,-8.17,;-2.63,-8.93,;-2.63,-10.52,;-1.22,-11.08,)|
BDBM50356337 OC(=O)CC1(Cc2ccccc2)C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,3:4:13.20.14:18.16.17,THB:20:14:4.19.18:17,15:14:4:18.16.17,15:16:4:13.20.14,3:4:17:13.14.15,5:4:13.20.14:18.16.17,(24.85,5.4,;26.19,4.63,;27.52,5.4,;26.18,3.09,;27.52,2.31,;26.78,.96,;25.24,.93,;24.46,2.26,;22.92,2.23,;22.17,.88,;22.97,-.44,;24.51,-.41,;28.72,3.59,;30.05,3.1,;31.45,3.44,;31.46,4.97,;30.06,5.55,;28.71,5.07,;29.02,4.32,;29.03,2.73,;30.43,2.17,)|
BDBM50356338 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(10.92,5.69,;12.25,4.92,;13.59,5.69,;12.25,3.38,;13.59,2.6,;14.78,3.88,;16.11,3.39,;17.51,3.73,;17.52,5.26,;16.12,5.84,;14.78,5.36,;15.08,4.61,;15.09,3.02,;16.5,2.46,;12.84,1.25,;11.31,1.22,;10.56,-.13,;11.36,-1.45,;12.91,-1.41,;13.65,-.06,)|
BDBM50356339 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(c1)C#N |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(-6.3,4.58,;-4.97,3.8,;-3.63,4.57,;-4.97,2.26,;-3.63,1.49,;-2.43,2.76,;-1.11,2.27,;.29,2.62,;.3,4.15,;-1.09,4.73,;-2.44,4.25,;-2.13,3.49,;-2.13,1.91,;-.72,1.34,;-4.37,.14,;-3.57,-1.17,;-4.3,-2.52,;-5.85,-2.56,;-6.65,-1.24,;-5.91,.11,;-8.19,-1.28,;-9.73,-1.31,)|
BDBM50356340 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(Cl)c1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(24.11,-35.98,;25.44,-36.76,;26.78,-35.99,;25.44,-38.3,;26.78,-39.08,;27.97,-37.8,;29.3,-38.29,;30.7,-37.94,;30.71,-36.41,;29.31,-35.83,;27.97,-36.31,;28.27,-37.07,;28.28,-38.66,;29.69,-39.22,;26.03,-40.43,;26.84,-41.74,;26.1,-43.09,;24.55,-43.12,;23.75,-41.8,;22.21,-41.84,;24.5,-40.45,)|
BDBM50356341 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(6.49,-37.27,;7.83,-38.04,;9.16,-37.27,;7.82,-39.58,;9.17,-40.36,;10.36,-39.08,;11.69,-39.57,;13.09,-39.23,;13.1,-37.7,;11.7,-37.12,;10.36,-37.6,;10.66,-38.35,;10.67,-39.94,;12.08,-40.51,;8.42,-41.71,;6.88,-41.74,;6.14,-43.09,;6.94,-44.41,;6.2,-45.76,;8.49,-44.37,;9.23,-43.02,)|
BDBM50356342 Cc1ccc(cc1)C1(CC(O)=O)C2CC3CC(C2)CC1C3 |TLB:20:19:17:13.14.15,8:7:13.20.14:18.16.17,THB:20:14:7.19.18:17,15:14:7:18.16.17,15:16:7:13.20.14,8:7:17:13.14.15,4:7:13.20.14:18.16.17,(-7.42,-42.44,;-6.68,-41.09,;-7.48,-39.77,;-6.74,-38.42,;-5.2,-38.4,;-4.4,-39.7,;-5.14,-41.05,;-4.46,-37.05,;-5.8,-36.27,;-5.8,-34.73,;-7.13,-33.95,;-4.46,-33.96,;-3.27,-35.77,;-1.94,-36.26,;-.54,-35.91,;-.53,-34.38,;-1.93,-33.81,;-3.27,-34.28,;-2.97,-35.04,;-2.96,-36.63,;-1.56,-37.19,)|
BDBM50356343 COc1ccc(cc1)C1(CC(O)=O)C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,9:8:14.21.15:19.17.18,THB:21:15:8.20.19:18,16:15:8:19.17.18,16:17:8:14.21.15,9:8:18:14.15.16,5:8:14.21.15:19.17.18,(20.62,-30.43,;22.16,-30.39,;22.9,-29.04,;22.1,-27.72,;22.84,-26.37,;24.38,-26.35,;25.18,-27.65,;24.45,-29,;25.12,-25,;23.78,-24.22,;23.79,-22.68,;22.45,-21.9,;25.12,-21.91,;26.32,-23.72,;27.65,-24.21,;29.04,-23.86,;29.06,-22.33,;27.66,-21.75,;26.31,-22.23,;26.62,-22.99,;26.62,-24.58,;28.03,-25.14,)|
BDBM50356344 OC(=O)CC1(C2CC3CC(C2)CC1C3)c1cccc(F)c1 |TLB:13:12:10:6.7.8,3:4:6.13.7:11.9.10,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,14:4:6.13.7:11.9.10,(5.96,-24.19,;7.29,-24.96,;8.63,-24.19,;7.29,-26.5,;8.63,-27.28,;9.83,-26,;11.16,-26.49,;12.55,-26.15,;12.56,-24.62,;11.17,-24.04,;9.82,-24.52,;10.13,-25.28,;10.13,-26.86,;11.54,-27.43,;7.89,-28.63,;8.69,-29.94,;7.95,-31.29,;6.4,-31.33,;5.61,-30.01,;4.06,-30.04,;6.35,-28.66,)|
BDBM50356345 CC1(O)C2CC3CC(C2)C(CC(O)=O)(C1C3)c1ccc(F)cc1 |TLB:2:1:9:15.5.6,0:1:9:15.5.6,4:5:9:8.1.3,10:9:6:8.3.4,16:9:8.1.3:15.5.6,THB:1:14:6:8.3.4,1:3:9.14.15:6,4:3:9:15.5.6,10:9:8.1.3:15.5.6|
BDBM50356346 OC1C2CC3CC1CC(C2)C3(CC(O)=O)c1ccc(F)cc1 |TLB:0:1:10.8.7:5,9:8:5:3.2.1,1:2:10:7.6.5,1:6:10:3.9.2,11:10:3.9.2:7.6.5,THB:9:2:10.8.7:5,11:10:5:3.2.1,15:10:3.9.2:7.6.5,(30.92,-7.82,;29.64,-8.68,;29.63,-10.2,;28.23,-10.55,;26.9,-10.06,;26.89,-8.58,;28.24,-8.1,;27.2,-9.33,;27.21,-10.92,;28.61,-11.48,;25.7,-11.34,;24.36,-10.56,;24.37,-9.02,;23.03,-8.25,;25.7,-8.25,;24.96,-12.69,;23.42,-12.72,;22.68,-14.06,;23.48,-15.38,;22.74,-16.74,;25.03,-15.35,;25.76,-14,)|
BDBM50356347 OC(=O)CC1(C2CC3CC1CC(O)(C3)C2)c1ccc(F)cc1 |TLB:14:11:4.5.6:8,3:4:10.14.11:6.7.8,3:4:8:10.11.13,THB:14:5:8:10.11.13,12:11:4:6.7.8,12:11:4.5.6:8,13:11:4:6.7.8,13:7:4:10.14.11,15:4:10.14.11:6.7.8,(7.01,-8.14,;8.34,-8.91,;9.67,-8.14,;8.33,-10.45,;9.67,-11.23,;11.18,-10.81,;11.17,-9.22,;12.21,-7.99,;10.86,-8.47,;10.87,-9.95,;12.2,-10.44,;13.6,-10.1,;15.14,-10.04,;13.61,-8.57,;12.58,-11.37,;8.93,-12.58,;7.39,-12.61,;6.65,-13.96,;7.45,-15.28,;6.71,-16.63,;9,-15.24,;9.73,-13.89,)|
BDBM50356348 OC1C2CC3CC(C2)C(CC(O)=O)(C1C3)c1ccc(F)cc1 |TLB:0:1:8:14.4.5,3:4:8:7.1.2,9:8:5:7.2.3,15:8:7.1.2:14.4.5,THB:1:13:5:7.2.3,1:2:8.13.14:5,3:2:8:14.4.5,9:8:7.1.2:14.4.5|
BDBM50356349 COC12CC3CC(C1)C(CC(O)=O)(C(C3)C2)c1ccc(F)cc1 |TLB:7:2:8.6.5:14,9:8:15.7.2:5.4.14,9:8:14:15.2.3,THB:7:6:14:15.2.3,1:2:8:5.4.14,1:2:8.6.5:14,3:2:8:5.4.14,3:4:8:15.7.2,16:8:15.7.2:5.4.14,(15.09,1.33,;14.27,2.63,;12.73,2.57,;12.74,4.1,;11.35,4.68,;10.31,3.44,;10.31,1.86,;11.72,1.29,;8.81,1.44,;7.47,2.22,;7.47,3.76,;6.14,4.53,;8.81,4.53,;10.01,2.72,;10,4.2,;11.34,2.23,;8.07,.09,;6.53,.06,;5.79,-1.29,;6.59,-2.61,;5.85,-3.96,;8.14,-2.57,;8.87,-1.22,)|
BDBM50356350 OC(=O)CC1(C2CC3CC1CC(F)(C3)C2)c1ccc(F)cc1 |TLB:14:11:4.5.6:8,3:4:10.14.11:6.7.8,3:4:8:10.11.13,THB:14:5:8:10.11.13,12:11:4:6.7.8,12:11:4.5.6:8,13:11:4:6.7.8,13:7:4:10.14.11,15:4:10.14.11:6.7.8,(-7.87,4.48,;-6.54,3.7,;-5.2,4.47,;-6.54,2.16,;-5.2,1.39,;-3.7,1.81,;-3.71,3.39,;-2.67,4.63,;-4.01,4.15,;-4.01,2.66,;-2.68,2.17,;-1.28,2.52,;.26,2.58,;-1.27,4.05,;-2.3,1.24,;-5.95,.03,;-7.48,.01,;-8.23,-1.34,;-7.43,-2.66,;-8.17,-4.01,;-5.88,-2.62,;-5.14,-1.27,)|
BDBM50356351 OC(=O)CC1(C2CC3CC1CC(C2)O3)c1ccc(F)cc1 |TLB:8:7:4.9.10:12,3:4:12:6.7.13,14:4:6.8.7:10.11.12,THB:8:9:12:6.7.13,13:7:4:10.11.12,13:11:4:6.8.7,3:4:6.8.7:10.11.12,(24.4,-36.59,;25.73,-37.36,;27.07,-36.6,;25.73,-38.9,;27.07,-39.68,;28.27,-38.41,;29.59,-38.9,;30.99,-38.55,;29.98,-39.83,;28.57,-39.26,;28.57,-37.68,;29.6,-36.44,;28.26,-36.92,;31,-37.02,;26.33,-41.03,;24.79,-41.06,;24.05,-42.41,;24.85,-43.73,;24.11,-45.08,;26.39,-43.69,;27.13,-42.34,)|
BDBM50356352 OC1CC2CCCC(C1)C2(CC(O)=O)c1ccc(F)cc1 |(-9,-36.85,;-7.46,-36.85,;-6.69,-38.19,;-5.15,-38.19,;-6.16,-37.73,;-6.77,-36.81,;-6.11,-35.9,;-5.15,-35.52,;-6.69,-35.52,;-4.37,-36.85,;-3.04,-36.08,;-3.05,-34.54,;-4.39,-33.77,;-1.72,-33.76,;-3.04,-37.62,;-3.03,-39.16,;-1.7,-39.92,;-.37,-39.15,;.97,-39.91,;-.38,-37.6,;-1.72,-36.84,)|
BDBM50356353 OC(=O)CC1(C2CCCC1COC2)c1ccc(F)cc1
BDBM50356354 OC(=O)CC1(C2CCCC1CCC2)c1ccc(F)cc1
BDBM50356355 OC(=O)CC1(CC2(C1)CCCCC2)c1ccc(F)cc1
BDBM50356357 OC(=O)CC1(CC2CCC(C2)C1)c1ccc(F)cc1
BDBM50356358 OC(=O)CC1(CC2CCC1C2)c1ccc(F)cc1
BDBM50356359 OC(=O)CC1(CCCCC1)c1ccc(F)cc1
BDBM50356360 OC(=O)CC1(C2CC3CC(C2)CC1(O)C3)c1ccc(F)cc1 |TLB:13:12:10:6.7.8,14:12:10:6.7.8,3:4:6.14.7:11.9.10,THB:14:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.14.7,3:4:10:6.7.8,15:4:6.14.7:11.9.10|
BDBM50356361 OC(=O)CCC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:14:13:11:7.8.9,4:5:7.14.8:12.10.11,THB:14:8:5.13.12:11,9:8:5:12.10.11,9:10:5:7.14.8,4:5:11:7.8.9,15:5:7.14.8:12.10.11,(5.25,3.04,;6.59,3.8,;6.59,5.34,;7.92,3.03,;7.91,1.49,;9.25,.71,;10.46,1.98,;11.79,1.5,;13.18,1.84,;13.2,3.37,;11.8,3.95,;10.45,3.47,;10.75,2.72,;10.76,1.13,;12.17,.56,;8.52,-.65,;6.98,-.68,;6.23,-2.02,;7.03,-3.34,;6.29,-4.69,;8.58,-3.3,;9.31,-1.95,)|
BDBM50356362 OC(=O)C1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:12:11:9:5.6.7,1:3:5.12.6:10.8.9,THB:12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,1:3:9:5.6.7,13:3:5.12.6:10.8.9,(-6.49,3.94,;-6.5,2.4,;-7.84,1.64,;-5.16,1.63,;-3.96,2.91,;-2.63,2.41,;-1.24,2.76,;-1.23,4.29,;-2.62,4.87,;-3.97,4.39,;-3.66,3.63,;-3.65,2.04,;-2.25,1.48,;-5.9,.27,;-7.44,.25,;-8.18,-1.1,;-7.38,-2.42,;-8.12,-3.78,;-5.84,-2.39,;-5.1,-1.04,)|
BDBM50356363 OC(=O)CC1(C#N)C2CC3CC(C2)CC1C3 |TLB:15:14:12:8.9.10,3:4:8.15.9:13.11.12,THB:15:9:4.14.13:12,10:9:4:13.11.12,10:11:4:8.15.9,3:4:12:8.9.10,5:4:8.15.9:13.11.12,(23.49,-19.7,;24.83,-20.48,;26.18,-19.7,;24.83,-22.02,;26.18,-22.8,;25.44,-24.16,;24.69,-25.51,;27.38,-21.52,;28.71,-22.01,;30.12,-21.67,;30.13,-20.13,;28.73,-19.55,;27.37,-20.03,;27.68,-20.79,;27.69,-22.38,;29.1,-22.95,)|
BDBM50356364 OC(=O)CC1C2CC3CC(C2)CC1C3 |TLB:13:12:10:6.7.8,THB:13:7:4.12.11:10,8:7:4:11.9.10,8:9:4:6.13.7,3:4:10:6.7.8,(21.16,-10.69,;22.47,-9.89,;22.44,-8.35,;23.82,-10.63,;25.14,-9.83,;26.34,-8.55,;27.66,-9.05,;29.06,-8.7,;29.07,-7.17,;27.68,-6.59,;26.33,-7.07,;26.64,-7.83,;26.64,-9.41,;28.05,-9.98,)|
BDBM50356365 O=C(N1CCC(CCSc2ncc[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 |TLB:1:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,1:16:19:23.22.21|
BDBM50356429 CS(=O)(=O)c1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356430 O=c1[nH]c(SCc2ccccc2-c2ccccc2)c2CCCCc2c1C#N
BDBM50356431 COc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356432 Clc1ccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)cc1
BDBM50356433 Clc1cccc(CSc2[nH]c(=O)c(C#N)c3CCCCc23)c1
BDBM50356434 O=c1[nH]c(SCc2ccccc2)c2CCCCc2c1C#N
BDBM50356435 Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356436 Clc1ccccc1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
BDBM50356437 Fc1ccc2c(C#N)c(=O)[nH]c(OCc3ccccc3Cl)c2c1
BDBM50356438 Fc1ccc2c(C#N)c(=O)[nH]c(SCc3cccnc3C#N)c2c1
BDBM50356439 Fc1ccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c2c1
BDBM50356440 Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccc(cc12)C#N
BDBM50356441 Fc1ccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c2c1
BDBM50356442 Fc1cccc2c(C#N)c(=O)[nH]c(SCc3ccccc3Cl)c12
BDBM50356443 Fc1cccc2c(SCc3ccccc3Cl)[nH]c(=O)c(C#N)c12
BDBM50356444 Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2ccccc12
BDBM50356445 O=c1[nH]c(SCc2cccnc2C#N)c2COCCc2c1C#N
BDBM50356446 Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCOCc12
BDBM50356447 Clc1ccccc1CSc1[nH]c(=O)c(C#N)c2CCN(Cc3ccccc3)Cc12
BDBM50356448 O=c1[nH]c(SCc2ccccc2)c2CCc3ccccc3-c2c1C#N
BDBM50356449 O=c1[nH]c(SCc2cccnc2C#N)c2CCCCc2c1C#N
BDBM50356450 O=c1[nH]c(SCC2CCC2)c2CCCCc2c1C#N
BDBM50356451 Clc1ccccc1COc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356452 Clc1ccccc1CCSc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356453 O=c1[nH]c(-c2ccccc2)c2CCCCc2c1C#N
BDBM50356454 Clc1ccccc1Sc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356455 Clc1ccccc1CS(=O)(=O)c1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356456 NC(=O)c1c2CCCCc2c(SCc2ccccc2Cl)[nH]c1=O
BDBM50356457 Clc1ccccc1CSc1[nH]c(=O)c(-c2ccc(cc2)C#N)c2CCCCc12
BDBM50356458 Clc1ccccc1CSc1[nH]c(=O)c(Br)c2CCCCc12
BDBM50356459 Clc1ccccc1CSc1[nH]c(=O)cc2CCCCc12
BDBM50356460 Fc1ccc(cc1CSc1[nH]c(=O)c(C#N)c2CCCCc12)C#N
BDBM50356461 Clc1cccc(Cl)c1CSc1[nH]c(=O)c(C#N)c2CCCCc12
BDBM50356462 O=c1[nH]c(SCc2ccccc2C#N)c2CCCCc2c1C#N
BDBM50359991 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)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O)C(O)=O |r,t:18|
BDBM50354740 O=S(=O)(N1CCC(=CC1)c1ccccc1)c1ccc2ccccc2c1 |c:6|
BDBM50354741 FC(F)(F)c1cnc(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1
BDBM50354742 Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1-c1ccc(OCc2ccccc2)cc1
BDBM50354743 Clc1ccc(c(Cl)c1)S(=O)(=O)C(=C\c1ccc2OCCc2c1)\C#N
BDBM50354744 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(CCc2ccccn2)c1
BDBM50354745 Fc1cccc(Cl)c1CN1CCCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM50354746 CN(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1
BDBM50353386 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353387 C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353388 C[C@H](N1CC[C@@](CC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353389 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353390 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353391 C[C@H](N1CC[C@@](CCNS(N)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353392 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353393 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353394 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353395 C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353396 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1cccc(F)c1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353397 C[C@H](N1CC[C@@](CCNC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353398 C[C@H](N1CC[C@@](CCCNC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353399 C[C@H](N1CC[C@@](CCN)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353400 CC[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353401 CNC(=O)NCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
BDBM50353402 CNC(=O)NCCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
BDBM50353403 C[C@H](N1CC[C@@](CCNC(C)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353404 C[C@H](N1CC[C@@](CCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353405 C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353406 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353407 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM50353408 OCCC1(CCN(C(=O)O1)c1cccc(c1)-c1ccc(F)cc1F)c1ccccc1
BDBM50353409 CNC(=O)CC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
BDBM50353410 CCNC(=O)NCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
BDBM50353411 CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccccc1)c1ccccc1
BDBM50353412 Fc1ccc(c(F)c1)-c1cccc(c1)N1CCC(CC=C)(OC1=O)c1ccccc1
BDBM50353413 CC1(CCN(C(=O)O1)c1cccc(c1)-c1cccc(F)c1)c1ccccc1
BDBM50353414 CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccccc1F)c1ccccc1
BDBM50353415 CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccc(F)cc1)c1ccccc1
BDBM50353416 CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccc(F)cc1F)c1ccccc1
BDBM50353417 C[C@H](N1CC[C@@](CCCN)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353418 OCCCC1(CCN(C(=O)O1)c1cccc(c1)-c1ccc(F)cc1F)c1ccccc1
BDBM50353419 Cc1cccc(c1)N1CC[C@@H](OC1=O)c1ccccc1 |r|
BDBM50353420 CC1(CCN(C(=O)O1)c1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM50353421 CC1(CCN(Cc2ccc(Br)cc2)C(=O)O1)c1ccccc1
BDBM50353422 Cc1cccc(c1)N1CC[C@H](OC1=O)c1ccccc1 |r|
BDBM50353423 CC1(CCN(C(=O)O1)c1ccc(Cl)cc1)c1ccccc1
BDBM50353424 CC1(CCN(C(=O)O1)c1ccccc1)c1ccccc1
BDBM50353425 Cc1cccc(c1)N1CCC(C)(OC1=O)c1ccccc1
BDBM50353426 CC1(CCN(C(=O)O1)c1cccc(Cl)c1)c1ccccc1
BDBM50353427 CC1(CCN(C(=O)O1)c1ccccc1Cl)c1ccccc1
BDBM50353428 CC1(CCN(C(=O)O1)c1cccc(Br)c1)c1ccccc1
BDBM50353429 C[C@H](N1CC[C@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353430 C[C@@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50353431 C[C@@H](N1CC[C@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50348280 Clc1cccc(Cl)c1SCc1cccn2c(nnc12)C1CCCCC1
BDBM50348281 Clc1cccc(Cl)c1OCc1cccn2c(nnc12)C1CCCCC1
BDBM50348282 Clc1cccc(Cl)c1OCc1cccn2c(nnc12)C1CCCCCC1
BDBM50348283 Clc1cccc(Cl)c1COc1cccn2c(nnc12)C1CCCCCC1
BDBM50348284 Clc1cccc(Cl)c1COCc1cccn2c(nnc12)C1CCCCCC1
BDBM50348285 Clc1cccc(Cl)c1Oc1cccn2c(nnc12)C1CCCCCC1
BDBM50348286 Clc1cccc(Cl)c1S(=O)(=O)Cc1cccn2c(nnc12)C1CCCCCC1
BDBM50348287 Clc1cccc(Cl)c1S(=O)(=O)NCc1cccn2c(nnc12)C1CCCCCC1
BDBM50348288 Clc1cccc(Cl)c1S(=O)(=O)Nc1cccn2c(nnc12)C1CCCCCC1
BDBM50348289 Clc1cc(Cl)cc(SCc2cccn3c(nnc23)C2CCCCCC2)c1
BDBM50348290 Cc1c(Cl)cccc1S(=O)(=O)NCc1cccn2c(nnc12)C1CCCCCC1
BDBM50348291 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCCCCC1
BDBM50348292 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(CC1)C2
BDBM50348293 COC1(CCCCCC1)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
BDBM50348294 COC12CC3CC(C1)CC(C3)(C2)c1nnc2c(Oc3cccc(Cl)c3C)cccn12 |TLB:5:4:11:8.6.7,5:6:10.4.3:11,7:2:10:8.5.6,THB:7:6:10:3.2.11,1:2:10:8.5.6|
BDBM50348295 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)[C@]12CCC(C[C@H]1O)C2(C)C |r|
BDBM50348296 Cc1c(Cl)cccc1Oc1cccn2c(CC3CC4CCC3C4)nnc12
BDBM50348297 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCC(F)(F)CC1
BDBM50348298 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCC(C)(O)CC1 |(2.2,-13.08,;2.25,-14.62,;.94,-15.43,;-.41,-14.7,;.99,-16.97,;2.36,-17.7,;3.66,-16.88,;3.61,-15.35,;4.93,-14.56,;6.27,-15.33,;6.27,-16.87,;7.63,-17.62,;8.94,-16.85,;8.93,-15.32,;10.07,-14.29,;9.43,-12.88,;7.89,-13.04,;7.6,-14.55,;11.57,-14.6,;12.05,-16.07,;13.55,-16.38,;14.58,-15.23,;15.91,-15.99,;15.91,-14.45,;14.1,-13.77,;12.59,-13.45,)|
BDBM50348299 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCC(=O)CC1
BDBM50348300 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCOCC1
BDBM50348301 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCNC(=O)CC1
BDBM50348302 CC(=O)N1CCC(CC1)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
BDBM50348303 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCN(CC1)CC2
BDBM50348304 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(N)(CC1)CC2
BDBM50348305 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCCCCC1O
BDBM50348306 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CC3CC(CC(O)(C3)C1)C2 |TLB:21:22:19.20.26:27,25:24:19:28.21.22,THB:21:20:27:28.22.23,23:22:19:26.24.27,23:24:19:28.21.22|
BDBM50348307 COC12CCC(CC1)(CC2)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
BDBM50348308 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(F)(CC1)CC2
BDBM50348309 Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
BDBM50370742 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O |r|
BDBM50382815 CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:28:29:26.27.32:33,THB:28:27:33:34.29.30,30:29:26:32.31.33,30:31:26:34.28.29|
BDBM50382816 Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
BDBM50382817 Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
BDBM50382818 CN(C1C2CC3CC(C2)CC1C3)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1 |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,(31.33,-9.37,;31.33,-7.83,;32.66,-7.06,;34.07,-7.53,;34.89,-9.07,;34.97,-7.52,;35.96,-6.36,;35.08,-5,;34.96,-6.43,;33.63,-4.49,;32.64,-5.64,;33.47,-7.02,;29.99,-7.06,;29.99,-5.52,;28.66,-7.83,;28.67,-9.38,;27.33,-10.15,;26,-9.37,;26.01,-7.84,;24.67,-7.06,;23.34,-7.83,;23.34,-9.38,;24.67,-10.15,;22,-10.14,;20.66,-9.37,;19.34,-10.15,;18,-9.38,;18,-7.83,;16.67,-7.06,;19.33,-7.06,;20.67,-7.83,;22,-7.05,;21.22,-5.71,;22.76,-5.71,;27.34,-7.07,)|
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
BDBM50382821 Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
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,;2