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456 SMILES Strings for jak2

Compound NameSMILES String
BDBM275372 CC1CCN(CC1n1ccc(=O)c2cnc3[nH]ccc3c12)C(=O)C1CCC(CC1)C(C)(C)C |(-4,3.08,;-2.67,2.31,;-1.33,3.08,;,2.31,;,.77,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-8,-2.31,;-5.33,-2.31,;-5.33,-3.85,;-4,-4.62,;-2.67,-3.85,;-1.2,-4.33,;-.3,-3.08,;-1.2,-1.83,;-2.67,-2.31,;-4,-1.54,;1.33,,;1.33,-1.54,;2.67,.77,;4,,;5.33,.77,;5.33,2.31,;4,3.08,;2.67,2.31,;6.67,3.08,;8,2.31,;6.67,4.62,;8,3.85,)|
BDBM198294 Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
BDBM198295 CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |r,wU:6.9,wD:3.2,(2.22,.61,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.91,3.18,;2.51,4.67,;3.6,5.76,;5.09,5.36,;6.18,6.45,;5.49,3.87,;4.4,2.78,)|
BDBM198296 Cc1cc(ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:12.16,wD:9.9,(.48,4.52,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;5.63,5.91,;6.72,6.99,)|
BDBM198374 FC(F)(F)c1nc2cc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)ccc2[nH]1 |r,wU:14.17,wD:11.10,(7.91,4.33,;6.82,5.42,;7.22,6.9,;8.31,5.81,;5.33,5.02,;4.86,3.55,;3.32,3.55,;2.29,2.41,;.78,2.73,;-.31,1.64,;-1.8,2.04,;-2.88,.95,;-4.37,1.35,;-5.46,.26,;-5.06,-1.23,;-3.57,-1.63,;-2.49,-.54,;-6.15,-2.32,;-7.68,-2.16,;-8.31,-3.56,;-7.16,-4.59,;-7.16,-6.13,;-5.83,-6.9,;-4.5,-6.13,;-3.03,-6.61,;-2.13,-5.36,;-3.03,-4.12,;-4.5,-4.59,;-5.83,-3.82,;.31,4.19,;1.34,5.34,;2.84,5.02,;4.09,5.92,)|
BDBM198375 Clc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
BDBM198376 Clc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
BDBM198377 Clc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
BDBM198457 C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCSC1 |r,wU:4.7,wD:1.0,(1.33,4.05,;.24,2.96,;-1.25,3.36,;-2.34,2.27,;-1.94,.78,;-.45,.38,;.64,1.47,;-3.03,-.31,;-4.56,-.15,;-5.19,-1.55,;-4.04,-2.58,;-4.04,-4.12,;-2.71,-4.89,;-1.37,-4.12,;.09,-4.6,;1,-3.35,;.09,-2.11,;-1.37,-2.58,;-2.71,-1.81,;2.82,3.65,;3.72,4.89,;5.19,4.42,;5.19,2.88,;3.72,2.4,)|
BDBM198458 FC(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.16,;4.74,4.07,;5.14,2.58,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198459 FC(F)(F)CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.69,5.91,;5.09,4.42,;6.58,4.02,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
BDBM198460 OC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,wD:5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
BDBM198461 FC(F)(F)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(6.58,3.62,;5.49,2.53,;5.89,1.04,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198635 CC(C)(C)OC(=O)N1CC(CC#N)(C1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:19.23,wD:16.16,(7.97,3.8,;6.89,2.71,;7.28,1.22,;8.37,2.31,;5.4,3.11,;4.31,2.02,;4.71,.53,;2.82,2.42,;1.49,1.65,;.72,2.98,;.32,4.47,;1.41,5.56,;2.5,6.65,;2.05,3.75,;-.37,1.89,;-1.86,2.29,;-2.95,1.2,;-4.44,1.6,;-5.52,.51,;-5.13,-.97,;-3.64,-1.37,;-2.55,-.28,;-6.21,-2.06,;-7.75,-1.9,;-8.37,-3.31,;-7.23,-4.34,;-7.23,-5.88,;-5.89,-6.65,;-4.56,-5.88,;-3.1,-6.35,;-2.19,-5.11,;-3.1,-3.86,;-4.56,-4.34,;-5.89,-3.57,)|
BDBM198637 N#C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(3.8,5.02,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-.55,.66,;.93,.26,;2.02,1.35,;-1.64,-.43,;-3.18,-.27,;-3.8,-1.68,;-2.66,-2.71,;-2.66,-4.25,;-1.32,-5.02,;.01,-4.25,;1.48,-4.72,;2.38,-3.48,;1.48,-2.23,;.01,-2.71,;-1.32,-1.94,)|
BDBM198638 N#CC(=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,;3.31,1.7,;3.71,.21,)|
BDBM198639 N#CC(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C#N |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,;3.31,1.7,;3.71,.21,)|
BDBM198297 Cc1cc(OC(F)(F)F)ccc1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.21,wD:14.14,(-.46,4.72,;1.03,4.33,;2.11,5.41,;3.6,5.02,;4.69,6.1,;6.18,5.71,;7.67,5.31,;6.58,4.22,;7.27,6.79,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,)|
BDBM198298 FC(F)(F)c1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:12.15,wD:9.8,(3.75,7.19,;2.66,6.1,;1.17,6.5,;2.26,7.59,;3.06,4.62,;1.97,3.53,;2.37,2.04,;1.28,.95,;-.21,1.35,;-1.3,.26,;-2.79,.66,;-3.87,-.43,;-3.48,-1.92,;-1.99,-2.32,;-.9,-1.23,;-4.57,-3.01,;-6.1,-2.84,;-6.72,-4.25,;-5.58,-5.28,;-5.58,-6.82,;-4.24,-7.59,;-2.91,-6.82,;-1.45,-7.3,;-.54,-6.05,;-1.45,-4.81,;-2.91,-5.28,;-4.24,-4.51,;3.85,1.64,;4.94,2.73,;4.55,4.22,;5.63,5.31,;6.72,6.4,)|
BDBM198299 Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)s1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|
BDBM198300 FCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198301 CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C#N |r,wU:6.9,wD:3.2,(1.68,.06,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;2.37,2.64,;1.97,4.13,;3.06,5.21,;4.55,4.82,;4.94,3.33,;3.85,2.24,;5.63,5.91,;6.72,6.99,)|
BDBM198378 Fc1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:10.13,wD:7.6,(6.57,5.94,;5.24,5.17,;3.91,5.94,;2.57,5.17,;2.57,3.63,;1.43,2.6,;-.06,3,;-1.15,1.91,;-2.64,2.31,;-3.73,1.22,;-3.33,-.27,;-1.84,-.67,;-.75,.42,;-4.42,-1.36,;-5.95,-1.19,;-6.57,-2.6,;-5.43,-3.63,;-5.43,-5.17,;-4.1,-5.94,;-2.76,-5.17,;-1.3,-5.65,;-.39,-4.4,;-1.3,-3.16,;-2.76,-3.63,;-4.1,-2.86,;2.05,1.19,;3.59,1.36,;3.91,2.86,;5.24,3.63,)|
BDBM198379 N#CCCN(CCC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;2.02,1.35,;3.51,.95,;3.91,-.54,;4.31,-2.02,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
BDBM198380 CN(C)[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,3.2,wD:8.7,(5.84,5.21,;5.45,3.73,;6.53,2.64,;3.96,3.33,;3.48,1.86,;1.94,1.86,;1.47,3.33,;-.02,3.73,;-1.11,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.8,.06,;-.71,1.15,;-4.38,-.63,;-5.91,-.47,;-6.53,-1.87,;-5.39,-2.9,;-5.39,-4.44,;-4.06,-5.21,;-2.72,-4.44,;-1.26,-4.92,;-.35,-3.67,;-1.26,-2.43,;-2.72,-2.9,;-4.06,-2.13,;2.71,4.23,)|
BDBM198381 Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:11.14,wD:8.7,(7.2,4.93,;5.87,4.16,;5.39,2.7,;3.85,2.7,;3.38,4.16,;1.89,4.56,;.8,3.47,;-.69,3.87,;-1.78,2.78,;-3.26,3.18,;-4.35,2.09,;-3.95,.61,;-2.47,.21,;-1.38,1.3,;-5.04,-.48,;-6.58,-.32,;-7.2,-1.73,;-6.06,-2.76,;-6.06,-4.3,;-4.72,-5.07,;-3.39,-4.3,;-1.93,-4.78,;-1.02,-3.53,;-1.93,-2.28,;-3.39,-2.76,;-4.72,-1.99,;4.62,5.07,)|
BDBM198382 Cc1cnc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cn1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,)|
BDBM198462 N#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198463 O=C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CCN1 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,;2.57,1.89,;4.05,1.5,;5.14,2.58,)|
BDBM198464 NC(=O)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:11.14,wD:8.7,(6.78,3.62,;5.69,2.53,;6.09,1.04,;4.2,2.93,;3.11,1.84,;1.62,2.24,;1.22,3.73,;-.26,4.13,;-1.35,3.04,;-2.84,3.44,;-3.93,2.35,;-3.53,.86,;-2.04,.46,;-.95,1.55,;-4.62,-.23,;-6.15,-.07,;-6.78,-1.48,;-5.63,-2.51,;-5.63,-4.05,;-4.3,-4.82,;-2.96,-4.05,;-1.5,-4.52,;-.59,-3.28,;-1.5,-2.03,;-2.96,-2.51,;-4.3,-1.74,;2.31,4.82,;3.8,4.42,)|
BDBM198465 N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:11.14,wD:8.7,(6.13,6.99,;5.04,5.91,;3.95,4.82,;2.46,5.21,;1.37,4.13,;1.77,2.64,;.68,1.55,;-.81,1.95,;-1.9,.86,;-3.38,1.26,;-4.47,.17,;-4.07,-1.32,;-2.59,-1.72,;-1.5,-.63,;-5.16,-2.41,;-6.69,-2.25,;-7.32,-3.65,;-6.18,-4.68,;-6.18,-6.22,;-4.84,-6.99,;-3.51,-6.22,;-2.04,-6.7,;-1.14,-5.45,;-2.04,-4.21,;-3.51,-4.68,;-4.84,-3.91,;3.26,2.24,;4.35,3.33,;5.83,2.93,;7.32,2.53,)|
BDBM198466 Clc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;7.32,3.08,)|
BDBM198640 C=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198641 N#CC=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;1.08,1.89,;-.01,.81,;-1.5,1.2,;-1.9,2.69,;-.81,3.78,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
BDBM198642 N#CC[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,3.2,(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;1.08,1.89,;-.01,.81,;-1.5,1.2,;-1.9,2.69,;-.81,3.78,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
BDBM198643 N#CC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.74,3.67,;3.26,4.07,;1.77,4.47,;.68,3.38,;-.81,3.78,;-1.9,2.69,;-1.5,1.2,;-.01,.81,;1.08,1.89,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
BDBM198302 CC(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)c(F)c1 |r,wU:7.10,wD:4.3,(1.17,5.56,;1.57,4.07,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-3.58,2.69,;-4.67,1.6,;-4.27,.12,;-2.79,-.28,;-1.7,.81,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,;3.06,3.67,;4.15,4.76,;5.63,4.36,;6.03,2.88,;7.52,2.48,;4.94,1.79,;5.34,.3,;3.46,2.19,)|
BDBM198303 FC(F)(F)Oc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:15.18,wD:12.11,(5.89,.3,;6.98,1.39,;8.46,.99,;7.37,-.1,;6.58,2.88,;5.09,3.28,;4.69,4.76,;3.2,5.16,;2.11,4.07,;.63,4.47,;-.46,3.38,;-1.95,3.78,;-3.04,2.69,;-4.53,3.09,;-5.61,2,;-5.22,.51,;-3.73,.12,;-2.64,1.2,;-6.31,-.58,;-7.84,-.41,;-8.46,-1.82,;-7.32,-2.85,;-7.32,-4.39,;-5.99,-5.16,;-4.65,-4.39,;-3.19,-4.87,;-2.28,-3.62,;-3.19,-2.38,;-4.65,-2.85,;-5.99,-2.08,;2.51,2.58,;4,2.19,)|
BDBM198304 Fc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
BDBM198305 Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;5.63,4.76,;4.15,5.16,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;3.46,2.58,;4.94,2.19,;5.34,.7,;6.83,.3,;4.25,-.39,;5.74,-.79,)|
BDBM198383 C[C@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,1.1,wD:6.5,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198384 C[C@@H](O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,1.1,(5.14,2.58,;4.74,4.07,;5.83,5.16,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198385 OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,wD:5.4,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
BDBM198386 N#C[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,2.1,wD:7.6,(6.73,4.62,;5.25,4.22,;3.76,3.82,;3.28,2.35,;1.74,2.35,;1.27,3.82,;-.22,4.22,;-1.31,3.13,;-2.8,3.53,;-3.89,2.44,;-3.49,.95,;-2,.55,;-.91,1.64,;-4.58,-.14,;-6.11,.02,;-6.73,-1.38,;-5.59,-2.41,;-5.59,-3.95,;-4.26,-4.72,;-2.92,-3.95,;-1.46,-4.43,;-.55,-3.18,;-1.46,-1.94,;-2.92,-2.41,;-4.26,-1.64,;2.51,4.72,)|
BDBM198387 FC(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
BDBM198467 N#CCc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.67,5.65,;6.18,6.05,;4.69,6.45,;3.6,5.36,;4,3.87,;2.91,2.78,;1.42,3.18,;.34,2.09,;-1.15,2.49,;-2.24,1.4,;-3.73,1.8,;-4.82,.71,;-4.42,-.77,;-2.93,-1.17,;-1.84,-.08,;-5.51,-1.86,;-7.04,-1.7,;-7.67,-3.11,;-6.52,-4.14,;-6.52,-5.68,;-5.19,-6.45,;-3.85,-5.68,;-2.39,-6.16,;-1.48,-4.91,;-2.39,-3.66,;-3.85,-4.14,;-5.19,-3.37,;1.03,4.67,;2.11,5.76,)|
BDBM198468 OC[C@H]1CCCN1C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,2.1,wD:8.8,(4.41,6.18,;3.32,5.09,;3.72,3.61,;5.19,3.13,;5.19,1.59,;3.72,1.11,;2.82,2.36,;1.33,2.76,;.24,1.67,;-1.25,2.07,;-2.34,.98,;-1.94,-.51,;-.45,-.91,;.64,.18,;-3.03,-1.6,;-4.56,-1.44,;-5.19,-2.84,;-4.04,-3.87,;-4.04,-5.41,;-2.71,-6.18,;-1.37,-5.41,;.09,-5.89,;1,-4.64,;.09,-3.4,;-1.37,-3.87,;-2.71,-3.1,)|
BDBM198469 OC[C@@H]1CCCN1C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,2.1,(4.41,6.18,;3.32,5.09,;3.72,3.61,;5.19,3.13,;5.19,1.59,;3.72,1.11,;2.82,2.36,;1.33,2.76,;.24,1.67,;-1.25,2.07,;-2.34,.98,;-1.94,-.51,;-.45,-.91,;.64,.18,;-3.03,-1.6,;-4.56,-1.44,;-5.19,-2.84,;-4.04,-3.87,;-4.04,-5.41,;-2.71,-6.18,;-1.37,-5.41,;.09,-5.89,;1,-4.64,;.09,-3.4,;-1.37,-3.87,;-2.71,-3.1,)|
BDBM198470 O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-1.92,3.21,;-3,2.12,;-2.61,.63,;-1.12,.24,;-.03,1.32,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|
BDBM198471 OCCN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:8.11,wD:5.4,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;1.97,1.89,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,;4.55,2.58,)|
BDBM198646 CCOC(=O)CC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;2.57,1.89,;.68,3.78,;-.41,2.69,;-.01,1.2,;-1.1,.12,;-2.59,.51,;-2.98,2,;-1.9,3.09,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198647 CC(C#N)[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;1.08,1.15,;-.01,.06,;-1.5,.46,;-1.9,1.95,;-.81,3.04,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|
BDBM198648 CC(C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(1.37,5.21,;1.77,3.73,;3.26,3.33,;4.74,2.93,;.68,2.64,;-.81,3.04,;-1.9,1.95,;-1.5,.46,;-.01,.06,;1.08,1.15,;-2.59,-.63,;-4.12,-.47,;-4.74,-1.87,;-3.6,-2.9,;-3.6,-4.44,;-2.27,-5.21,;-.93,-4.44,;.53,-4.92,;1.44,-3.67,;.53,-2.43,;-.93,-2.9,;-2.27,-2.13,)|
BDBM198649 N#C\C=C\[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|
BDBM198650 N#CCC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|
BDBM198306 CS(=O)(=O)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.06,3.97,;6.98,2.88,;6.58,1.39,;8.06,1.79,;5.49,3.28,;5.09,4.76,;3.6,5.16,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;2.91,2.58,;4.4,2.19,)|
BDBM198307 FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.27,6.79,;7.67,5.31,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;2.11,5.41,)|
BDBM198308 FC(F)(F)Oc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1 |r,wU:14.17,wD:11.10,(6.58,4.22,;6.18,5.71,;7.67,5.31,;7.27,6.79,;4.69,6.1,;3.6,5.02,;4,3.53,;2.91,2.44,;1.42,2.84,;.34,1.75,;-1.15,2.15,;-2.24,1.06,;-3.73,1.46,;-4.82,.37,;-4.42,-1.12,;-2.93,-1.52,;-1.84,-.43,;-5.51,-2.21,;-7.04,-2.05,;-7.67,-3.45,;-6.52,-4.48,;-6.52,-6.02,;-5.19,-6.79,;-3.85,-6.02,;-2.39,-6.5,;-1.48,-5.25,;-2.39,-4.01,;-3.85,-4.48,;-5.19,-3.71,;1.03,4.33,;-.46,4.72,;2.11,5.41,)|
BDBM198309 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C#N |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,;1.03,5.07,;-.46,5.47,)|
BDBM198388 CS(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:13.16,wD:10.9,(7.24,4.51,;5.91,5.28,;5.14,6.61,;6.68,6.61,;4.57,4.51,;3.24,5.28,;1.91,4.51,;1.91,2.97,;.76,1.93,;-.73,2.33,;-1.82,1.24,;-3.3,1.64,;-4.39,.55,;-3.99,-.93,;-2.51,-1.33,;-1.42,-.24,;-5.08,-2.02,;-6.61,-1.86,;-7.24,-3.27,;-6.1,-4.3,;-6.1,-5.84,;-4.76,-6.61,;-3.43,-5.84,;-1.96,-6.31,;-1.06,-5.07,;-1.96,-3.82,;-3.43,-4.3,;-4.76,-3.53,;1.39,.53,;2.92,.69,;3.24,2.2,;4.57,2.97,)|
BDBM198389 CN(C)S(=O)(=O)c1ccc2N(C[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)CCc2c1 |r,wU:15.18,wD:12.11,(6.57,2.97,;6.57,4.51,;7.91,5.28,;5.24,5.28,;4.47,6.61,;6.01,6.61,;3.91,4.51,;2.57,5.28,;1.24,4.51,;1.24,2.97,;.09,1.93,;-1.39,2.33,;-2.48,1.24,;-3.97,1.64,;-5.06,.55,;-4.66,-.93,;-3.17,-1.33,;-2.08,-.24,;-5.75,-2.02,;-7.28,-1.86,;-7.91,-3.27,;-6.76,-4.3,;-6.76,-5.84,;-5.43,-6.61,;-4.1,-5.84,;-2.63,-6.31,;-1.73,-5.07,;-2.63,-3.82,;-4.1,-4.3,;-5.43,-3.53,;.72,.53,;2.25,.69,;2.57,2.2,;3.91,2.97,)|
BDBM198390 O=C1NCCN1CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(3.02,6.21,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;4.83,3.98,;3.74,2.89,;2.25,3.29,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|
BDBM198391 C(Cc1c[nH]cn1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(2.25,3.29,;3.74,2.89,;4.83,3.98,;4.35,5.44,;5.6,6.35,;6.84,5.44,;6.37,3.98,;1.16,2.2,;-.33,2.6,;-1.42,1.51,;-2.9,1.91,;-3.99,.82,;-3.59,-.67,;-2.11,-1.07,;-1.02,.02,;-4.68,-1.76,;-6.21,-1.6,;-6.84,-3.01,;-5.7,-4.04,;-5.7,-5.58,;-4.36,-6.35,;-3.03,-5.58,;-1.56,-6.05,;-.66,-4.81,;-1.56,-3.56,;-3.03,-4.04,;-4.36,-3.27,)|
BDBM198472 FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
BDBM198473 COc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.06,3.97,;6.98,2.88,;5.49,3.28,;4.4,2.19,;2.91,2.58,;2.51,4.07,;1.03,4.47,;-.06,3.38,;-1.55,3.78,;-2.64,2.69,;-4.13,3.09,;-5.22,2,;-4.82,.51,;-3.33,.12,;-2.24,1.2,;-5.91,-.58,;-7.44,-.41,;-8.06,-1.82,;-6.92,-2.85,;-6.92,-4.39,;-5.59,-5.16,;-4.25,-4.39,;-2.79,-4.87,;-1.88,-3.62,;-2.79,-2.38,;-4.25,-2.85,;-5.59,-2.08,;3.6,5.16,;5.09,4.76,)|
BDBM198474 OC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:9.12,wD:6.5,(6.23,2.53,;4.74,2.93,;4.35,4.42,;2.86,4.82,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.18,2.24,;3.67,1.84,)|
BDBM198475 OCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198476 O=C1COc2cc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)ccc2N1 |r,wU:12.15,wD:9.8,(7.47,6.81,;6.39,5.71,;6.79,4.21,;5.69,3.11,;4.2,3.51,;3.11,2.42,;1.62,2.82,;.53,1.73,;-.95,2.13,;-2.04,1.04,;-3.53,1.44,;-4.62,.35,;-4.22,-1.13,;-2.73,-1.53,;-1.64,-.44,;-5.31,-2.22,;-6.84,-2.06,;-7.47,-3.47,;-6.32,-4.5,;-6.32,-6.04,;-4.99,-6.81,;-3.66,-6.04,;-2.19,-6.52,;-1.29,-5.27,;-2.19,-4.02,;-3.66,-4.5,;-4.99,-3.73,;1.22,4.31,;2.31,5.4,;3.8,5,;4.89,6.09,)|
BDBM198651 FC(F)(F)CNC(=O)C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-.75,.46,;-1.84,-.63,;-3.33,-.23,;-3.73,1.26,;-2.64,2.35,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
BDBM198652 FC(F)(F)CNC(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.82,1.15,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
BDBM198653 O=C(C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-.55,.66,;-1.64,-.43,;-3.13,-.03,;-3.53,1.46,;-2.44,2.55,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
BDBM198654 O=C(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:6.9,wD:3.2,(2.02,1.35,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
BDBM198655 N#CC1CC11CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.94,2.78,;3.46,3.18,;1.97,3.58,;.88,4.67,;.48,3.18,;.88,1.7,;-.21,.61,;-1.7,1.01,;-2.1,2.49,;-1.01,3.58,;-2.79,-.08,;-4.32,.08,;-4.94,-1.33,;-3.8,-2.36,;-3.8,-3.9,;-2.47,-4.67,;-1.13,-3.9,;.33,-4.38,;1.24,-3.13,;.33,-1.88,;-1.13,-2.36,;-2.47,-1.59,)|
BDBM198310 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c(c1)C(F)(F)F |r,wU:10.13,wD:7.6,(6.18,6.4,;5.09,5.31,;5.49,3.82,;4.4,2.73,;2.91,3.13,;1.82,2.04,;.34,2.44,;-.75,1.35,;-2.24,1.75,;-3.33,.66,;-2.93,-.83,;-1.44,-1.23,;-.36,-.14,;-4.02,-1.92,;-5.55,-1.76,;-6.18,-3.16,;-5.03,-4.19,;-5.03,-5.73,;-3.7,-6.5,;-2.37,-5.73,;-.9,-6.21,;0,-4.96,;-.9,-3.72,;-2.37,-4.19,;-3.7,-3.42,;2.51,4.62,;3.6,5.71,;1.03,5.02,;.63,6.5,;-.06,3.93,;-.46,5.41,)|
BDBM198311 C(Nc1ccc(cc1)N1CCOCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.22,wD:14.15,(-.95,1.2,;.53,.81,;1.62,1.89,;3.11,1.5,;4.2,2.58,;3.8,4.07,;2.31,4.47,;1.22,3.38,;4.89,5.16,;6.38,4.76,;7.47,5.85,;7.07,7.34,;5.58,7.74,;4.49,6.65,;-2.04,.12,;-3.53,.51,;-4.62,-.58,;-4.22,-2.06,;-2.73,-2.46,;-1.64,-1.37,;-5.31,-3.15,;-6.84,-2.99,;-7.47,-4.4,;-6.32,-5.43,;-6.32,-6.97,;-4.99,-7.74,;-3.65,-6.97,;-2.19,-7.44,;-1.29,-6.2,;-2.19,-4.95,;-3.65,-5.43,;-4.99,-4.66,)|
BDBM198312 O[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
BDBM198313 C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)[C@@H]1CCCO1 |r,wU:6.9,21.24,wD:3.2,(2.56,4.56,;1.47,3.47,;-.02,3.87,;-1.11,2.78,;-2.6,3.18,;-3.69,2.09,;-3.29,.61,;-1.8,.21,;-.71,1.3,;-4.38,-.48,;-5.91,-.32,;-6.53,-1.73,;-5.39,-2.76,;-5.39,-4.3,;-4.06,-5.07,;-2.72,-4.3,;-1.26,-4.78,;-.35,-3.53,;-1.26,-2.28,;-2.72,-2.76,;-4.06,-1.99,;4.04,4.16,;4.52,2.7,;6.06,2.7,;6.53,4.16,;5.29,5.07,)|
BDBM198314 N#Cc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198392 C(NCc1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(-.26,3.78,;1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198393 C(N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|
BDBM198394 C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:5.8,wD:2.1,(2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,;3.26,3.53,;4.74,3.13,;5.83,4.22,;5.43,5.71,;3.95,6.1,;2.86,5.02,)|
BDBM198395 Fc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
BDBM198396 Fc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
BDBM198477 O=C1COc2ccc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)cc2N1 |r,wU:13.16,wD:10.9,(7.87,4.17,;6.39,4.57,;5.98,6.07,;4.48,6.45,;3.39,5.36,;1.91,5.76,;.82,4.67,;1.22,3.18,;.13,2.09,;-1.36,2.49,;-2.45,1.4,;-3.94,1.8,;-5.03,.71,;-4.63,-.77,;-3.14,-1.17,;-2.05,-.08,;-5.72,-1.86,;-7.25,-1.7,;-7.87,-3.11,;-6.73,-4.14,;-6.73,-5.68,;-5.4,-6.45,;-4.06,-5.68,;-2.6,-6.16,;-1.69,-4.91,;-2.6,-3.66,;-4.06,-4.14,;-5.4,-3.37,;2.7,2.78,;3.79,3.87,;5.28,3.47,)|
BDBM198478 FC1(F)Oc2ccc(NC[C@H]3CC[C@@H](CC3)c3nnn4cnc5[nH]ccc5c34)cc2O1 |r,wU:13.16,wD:10.9,(7.49,4.65,;6.15,5.42,;7.24,6.51,;4.91,6.32,;3.66,5.42,;2.16,5.74,;1.13,4.59,;1.6,3.13,;.51,2.04,;-.97,2.44,;-2.06,1.35,;-3.55,1.75,;-4.64,.66,;-4.24,-.83,;-2.75,-1.23,;-1.66,-.14,;-5.33,-1.92,;-6.86,-1.76,;-7.49,-3.16,;-6.34,-4.2,;-6.34,-5.74,;-5.01,-6.51,;-3.68,-5.74,;-2.21,-6.21,;-1.31,-4.97,;-2.21,-3.72,;-3.68,-4.2,;-5.01,-3.43,;3.11,2.81,;4.14,3.95,;5.68,3.95,)|
BDBM198479 O[C@@H](CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,wD:5.4,1.0,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;4.55,2.58,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,)|
BDBM198480 O[C@H](CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:8.11,1.0,wD:5.4,(5.24,5.16,;4.15,4.07,;2.66,4.47,;1.57,3.38,;.08,3.78,;-1.01,2.69,;-2.49,3.09,;-3.58,2,;-3.18,.51,;-1.7,.12,;-.61,1.2,;-4.27,-.58,;-5.8,-.41,;-6.43,-1.82,;-5.29,-2.85,;-5.29,-4.39,;-3.95,-5.16,;-2.62,-4.39,;-1.15,-4.87,;-.25,-3.62,;-1.15,-2.38,;-2.62,-2.85,;-3.95,-2.08,;4.55,2.58,;3.46,1.5,;3.85,.01,;5.34,-.39,;6.43,.7,;6.03,2.19,)|
BDBM198656 OC12CC3CC(C1)CC(C3)(C2)c1nnn2cnc3[nH]ccc3c12 |TLB:11:8:4:2.1.6,THB:7:8:2:4.5.6,7:5:2:8.10.9,10:8:4:2.1.6,10:1:4:8.7.9|
BDBM198657 OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1cccnc1)C(F)(F)F |r,wU:4.3,wD:7.10,(7.37,-10.27,;5.87,-10.59,;5.55,-9.09,;4.08,-8.61,;3.76,-7.1,;2.3,-6.63,;1.98,-5.12,;3.12,-4.09,;4.59,-4.57,;4.91,-6.07,;2.8,-2.58,;1.4,-1.96,;1.56,-.43,;3.06,-.11,;3.83,1.23,;5.37,1.23,;6.14,-.11,;7.65,-.43,;7.81,-1.96,;6.4,-2.58,;5.37,-1.44,;3.83,-1.44,;6.19,-12.1,;5.04,-13.13,;5.36,-14.64,;6.83,-15.11,;7.97,-14.08,;7.65,-12.57,;4.36,-10.91,;2.86,-11.23,;4.68,-12.42,;4.04,-9.41,)|
BDBM198315 C(Cc1ccncc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198316 C(Cc1ccccc1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198317 C1CN(CCO1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.55,3.87,;3.46,2.78,;1.97,3.18,;1.57,4.67,;2.66,5.76,;4.15,5.36,;.88,2.09,;1.28,.61,;.19,-.48,;-1.3,-.08,;-1.7,1.4,;-.61,2.49,;-2.39,-1.17,;-3.92,-1.01,;-4.55,-2.42,;-3.4,-3.45,;-3.4,-4.99,;-2.07,-5.76,;-.73,-4.99,;.73,-5.47,;1.64,-4.22,;.73,-2.97,;-.73,-3.45,;-2.07,-2.68,)|
BDBM198318 FC(F)(F)c1cccc(CCNC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1 |(7.17,.3,;5.69,.7,;4.6,-.39,;6.09,-.79,;5.29,2.19,;6.38,3.28,;5.98,4.76,;4.49,5.16,;3.4,4.07,;1.92,4.47,;.83,3.38,;-.66,3.78,;-1.75,2.69,;-1.35,1.2,;-2.44,.12,;-3.93,.51,;-4.33,2,;-3.24,3.09,;-5.02,-.58,;-6.55,-.41,;-7.17,-1.82,;-6.03,-2.85,;-6.03,-4.39,;-4.7,-5.16,;-3.36,-4.39,;-1.9,-4.87,;-.99,-3.62,;-1.9,-2.38,;-3.36,-2.85,;-4.7,-2.08,;3.8,2.58,)|
BDBM198319 C(CN1CCOCC1)NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198397 OC(CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-.95,.22,;-2.04,-.87,;-3.53,-.47,;-3.93,1.01,;-2.84,2.1,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;2.31,6.15,;3.85,6.15,)|
BDBM198398 OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:7.10,wD:4.3,(1.22,4.57,;2.31,3.48,;1.22,2.39,;-.26,2.79,;-1.35,1.7,;-2.84,2.1,;-3.93,1.01,;-3.53,-.47,;-2.04,-.87,;-.95,.22,;-4.62,-1.56,;-6.15,-1.4,;-6.78,-2.81,;-5.63,-3.84,;-5.63,-5.38,;-4.3,-6.15,;-2.96,-5.38,;-1.5,-5.86,;-.59,-4.61,;-1.5,-3.36,;-2.96,-3.84,;-4.3,-3.07,;3.8,3.08,;4.2,1.6,;5.69,1.2,;6.78,2.29,;6.38,3.77,;4.89,4.17,;3.08,4.82,;4.62,4.82,;3.85,6.15,;2.31,6.15,)|
BDBM198399 Clc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-.36,-.08,;-1.44,-1.17,;-2.93,-.77,;-3.33,.71,;-2.24,1.8,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;2.51,4.67,;3.6,5.76,)|
BDBM198400 Clc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|
BDBM198481 OC(=O)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(6.34,4.01,;5.25,2.92,;5.65,1.44,;3.76,3.32,;2.43,2.55,;1.66,3.89,;.17,4.29,;-.92,3.2,;-2.4,3.6,;-3.49,2.51,;-3.09,1.02,;-1.61,.62,;-.52,1.71,;-4.18,-.07,;-5.71,.09,;-6.34,-1.32,;-5.2,-2.35,;-5.2,-3.89,;-3.86,-4.66,;-2.53,-3.89,;-1.06,-4.36,;-.16,-3.12,;-1.06,-1.87,;-2.53,-2.35,;-3.86,-1.58,;2.99,4.66,)|
BDBM198482 O=C1OCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|
BDBM198483 C(NC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.12,wD:5.5,(1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198484 N#CC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(6.54,2.53,;5.05,2.92,;3.56,3.32,;2.23,2.55,;1.46,3.89,;-.03,4.29,;-1.12,3.2,;-2.6,3.6,;-3.69,2.51,;-3.29,1.02,;-1.81,.62,;-.72,1.71,;-4.38,-.07,;-5.91,.09,;-6.54,-1.32,;-5.4,-2.35,;-5.4,-3.89,;-4.06,-4.66,;-2.73,-3.89,;-1.26,-4.36,;-.36,-3.12,;-1.26,-1.87,;-2.73,-2.35,;-4.06,-1.58,;2.79,4.66,)|
BDBM198485 N#Cc1ccc(CCNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(8.01,7.34,;6.92,6.25,;5.83,5.16,;6.23,3.67,;5.14,2.58,;3.66,2.98,;2.57,1.89,;1.08,2.29,;-.01,1.2,;-1.5,1.6,;-2.59,.51,;-4.07,.91,;-5.16,-.18,;-4.76,-1.66,;-3.28,-2.06,;-2.19,-.97,;-5.85,-2.75,;-7.38,-2.59,;-8.01,-4,;-6.87,-5.03,;-6.87,-6.57,;-5.53,-7.34,;-4.2,-6.57,;-2.73,-7.05,;-1.83,-5.8,;-2.73,-4.55,;-4.2,-5.03,;-5.53,-4.26,;3.26,4.47,;4.35,5.56,)|
BDBM198320 N#CC1CCN(CC1)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(5.43,6.65,;4.35,5.56,;3.26,4.47,;3.66,2.98,;2.57,1.89,;1.08,2.29,;.68,3.78,;1.77,4.87,;-.01,1.2,;.39,-.28,;-.7,-1.37,;-2.19,-.97,;-2.59,.51,;-1.5,1.6,;-3.28,-2.06,;-4.81,-1.9,;-5.43,-3.31,;-4.29,-4.34,;-4.29,-5.88,;-2.96,-6.65,;-1.62,-5.88,;-.16,-6.35,;.75,-5.11,;-.16,-3.86,;-1.62,-4.34,;-2.96,-3.57,)|
BDBM198322 Fc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|
BDBM198323 CN(C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(F)cc1 |(-.12,5.21,;.28,3.73,;-.81,2.64,;-.41,1.15,;-1.5,.06,;-2.98,.46,;-3.38,1.95,;-2.29,3.04,;-4.07,-.63,;-5.61,-.47,;-6.23,-1.87,;-5.09,-2.9,;-5.09,-4.44,;-3.75,-5.21,;-2.42,-4.44,;-.96,-4.92,;-.05,-3.67,;-.96,-2.43,;-2.42,-2.9,;-3.75,-2.13,;1.77,3.33,;2.17,1.84,;3.66,1.44,;4.74,2.53,;6.23,2.13,;4.35,4.02,;2.86,4.42,)|
BDBM198324 Fc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198401 Clc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
BDBM198402 OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(Cl)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.42,;1.59,3.33,;.5,2.24,;-.99,2.64,;-2.08,1.55,;-3.56,1.95,;-4.65,.86,;-4.26,-.63,;-2.77,-1.03,;-1.68,.06,;-5.34,-1.72,;-6.88,-1.56,;-7.5,-2.96,;-6.36,-3.99,;-6.36,-5.53,;-5.02,-6.3,;-3.69,-5.53,;-2.23,-6.01,;-1.32,-4.76,;-2.23,-3.52,;-3.69,-3.99,;-5.02,-3.22,;3.04,2.93,;3.44,1.44,;4.93,1.04,;6.01,2.13,;7.5,1.73,;5.62,3.62,;4.13,4.02,;1.99,4.82,;.9,5.91,;3.47,5.21,;2.39,6.3,)|
BDBM198403 OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:7.10,wD:4.3,(.5,4.57,;1.59,3.48,;.5,2.39,;-.99,2.79,;-2.08,1.7,;-3.56,2.1,;-4.65,1.01,;-4.26,-.47,;-2.77,-.87,;-1.68,.22,;-5.34,-1.56,;-6.88,-1.4,;-7.5,-2.81,;-6.36,-3.84,;-6.36,-5.38,;-5.02,-6.15,;-3.69,-5.38,;-2.23,-5.86,;-1.32,-4.61,;-2.23,-3.36,;-3.69,-3.84,;-5.02,-3.07,;3.04,3.08,;3.44,1.6,;4.93,1.2,;6.01,2.29,;7.5,1.89,;5.62,3.77,;4.13,4.17,;2.36,4.82,;1.59,6.15,;3.9,4.82,;3.13,6.15,)|
BDBM198404 Fc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(7.52,2.88,;6.03,3.28,;4.94,2.19,;3.46,2.58,;3.06,4.07,;1.57,4.47,;.48,3.38,;-1.01,3.78,;-2.1,2.69,;-3.58,3.09,;-4.67,2,;-4.27,.51,;-2.79,.12,;-1.7,1.2,;-5.36,-.58,;-6.89,-.41,;-7.52,-1.82,;-6.38,-2.85,;-6.38,-4.39,;-5.04,-5.16,;-3.71,-4.39,;-2.24,-4.87,;-1.34,-3.62,;-2.24,-2.38,;-3.71,-2.85,;-5.04,-2.08,;4.15,5.16,;5.63,4.76,)|
BDBM198486 C(NC1CCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|
BDBM198487 C(NC1CCCC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(.96,2.94,;2.45,2.54,;3.54,3.63,;5.08,3.63,;5.55,5.1,;4.31,6,;3.06,5.1,;-.13,1.85,;-1.62,2.25,;-2.7,1.16,;-2.31,-.33,;-.82,-.72,;.27,.36,;-3.4,-1.41,;-4.93,-1.25,;-5.55,-2.66,;-4.41,-3.69,;-4.41,-5.23,;-3.07,-6,;-1.74,-5.23,;-.28,-5.71,;.63,-4.46,;-.28,-3.22,;-1.74,-3.69,;-3.07,-2.92,)|
BDBM198488 C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:6.9,wD:3.2,(3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,;4.55,4.42,;5.63,3.33,;6.03,4.82,)|
BDBM198489 C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCC1 |r,wU:4.7,wD:1.0,(1.46,4.29,;.37,3.2,;-1.12,3.6,;-2.2,2.51,;-1.81,1.02,;-.32,.62,;.77,1.71,;-2.89,-.07,;-4.43,.09,;-5.05,-1.32,;-3.91,-2.35,;-3.91,-3.89,;-2.57,-4.66,;-1.24,-3.89,;.22,-4.36,;1.13,-3.12,;.22,-1.87,;-1.24,-2.35,;-2.57,-1.58,;2.95,3.89,;3.72,2.55,;5.05,3.32,;4.28,4.66,)|
BDBM198490 C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCCC1 |r,wU:4.7,wD:1.0,(1.33,4.05,;.24,2.96,;-1.25,3.36,;-2.34,2.27,;-1.94,.78,;-.45,.38,;.64,1.47,;-3.03,-.31,;-4.56,-.15,;-5.19,-1.55,;-4.04,-2.58,;-4.04,-4.12,;-2.71,-4.89,;-1.37,-4.12,;.09,-4.6,;1,-3.35,;.09,-2.11,;-1.37,-2.58,;-2.71,-1.81,;2.82,3.65,;3.72,2.4,;5.19,2.88,;5.19,4.42,;3.72,4.89,)|
BDBM198325 Cc1cc(ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N |(1.72,5.56,;2.11,4.07,;3.6,3.67,;4,2.19,;2.91,1.1,;1.42,1.5,;1.03,2.98,;-.46,3.38,;-1.55,2.29,;-1.15,.81,;-2.24,-.28,;-3.73,.12,;-4.13,1.6,;-3.04,2.69,;-4.82,-.97,;-6.35,-.81,;-6.98,-2.22,;-5.83,-3.25,;-5.83,-4.79,;-4.5,-5.56,;-3.16,-4.79,;-1.7,-5.27,;-.79,-4.02,;-1.7,-2.77,;-3.16,-3.25,;-4.5,-2.48,;5.49,1.79,;6.98,1.39,)|
BDBM198326 Cc1cc(OC(F)(F)F)ccc1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(1.17,5.56,;1.57,4.07,;3.06,3.67,;3.46,2.19,;4.94,1.79,;6.03,2.88,;5.63,4.36,;7.52,2.48,;7.12,3.97,;2.37,1.1,;.88,1.5,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-1.7,.81,;-2.79,-.28,;-4.27,.12,;-4.67,1.6,;-3.58,2.69,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,)|
BDBM198327 N#Cc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-1.15,1.55,;-2.24,.46,;-3.73,.86,;-4.13,2.35,;-3.04,3.44,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198328 N#Cc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198329 C(Cc1ccccc1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-.95,1.2,;-2.04,.12,;-3.53,.51,;-3.93,2,;-2.84,3.09,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198405 OC(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|
BDBM198406 O[C@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,1.0,wD:4.3,(1.93,5.56,;2.33,4.07,;1.24,2.98,;-.24,3.38,;-1.33,2.29,;-2.82,2.69,;-3.91,1.6,;-3.51,.12,;-2.02,-.28,;-.94,.81,;-4.6,-.97,;-6.13,-.81,;-6.76,-2.22,;-5.61,-3.25,;-5.61,-4.79,;-4.28,-5.56,;-2.95,-4.79,;-1.48,-5.27,;-.58,-4.02,;-1.48,-2.77,;-2.95,-3.25,;-4.28,-2.48,;3.78,3.67,;4.18,2.19,;5.67,1.79,;6.76,2.88,;6.36,4.36,;4.87,4.76,)|
BDBM198407 O[C@@H](CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,1.0,(1.92,5.56,;2.31,4.07,;1.22,2.98,;-.26,3.38,;-1.35,2.29,;-2.84,2.69,;-3.93,1.6,;-3.53,.12,;-2.04,-.28,;-.95,.81,;-4.62,-.97,;-6.15,-.81,;-6.78,-2.22,;-5.63,-3.25,;-5.63,-4.79,;-4.3,-5.56,;-2.96,-4.79,;-1.5,-5.27,;-.59,-4.02,;-1.5,-2.77,;-2.96,-3.25,;-4.3,-2.48,;3.8,3.67,;4.2,2.19,;5.69,1.79,;6.78,2.88,;6.38,4.36,;4.89,4.76,)|
BDBM198408 Clc1ccc(NC2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198491 O=C1NOC[C@H]1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,5.6,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|
BDBM198492 C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)[C@H]1CCCO1 |r,wU:6.9,wD:3.2,21.24,(2.62,4.39,;1.53,3.3,;.04,3.7,;-1.05,2.61,;-2.54,3.01,;-3.63,1.92,;-3.23,.44,;-1.74,.04,;-.65,1.13,;-4.32,-.65,;-5.85,-.49,;-6.47,-1.9,;-5.33,-2.93,;-5.33,-4.47,;-4,-5.24,;-2.66,-4.47,;-1.2,-4.95,;-.29,-3.7,;-1.2,-2.45,;-2.66,-2.93,;-4,-2.16,;4.1,3.99,;5.01,2.75,;6.47,3.22,;6.47,4.76,;5.01,5.24,)|
BDBM198493 CC1(C)CC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.88,4.05,;4.55,4.82,;5.88,5.59,;3.21,5.59,;3.21,4.05,;2.12,2.96,;.63,3.36,;-.45,2.27,;-1.94,2.67,;-3.03,1.58,;-2.63,.09,;-1.14,-.31,;-.06,.78,;-3.72,-1,;-5.25,-.84,;-5.88,-2.25,;-4.73,-3.28,;-4.73,-4.82,;-3.4,-5.59,;-2.07,-4.82,;-.6,-5.29,;.3,-4.05,;-.6,-2.8,;-2.07,-3.28,;-3.4,-2.51,)|
BDBM198494 CC1CC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(6.03,4.07,;4.55,4.47,;3.46,5.56,;3.06,4.07,;1.97,2.98,;.48,3.38,;-.61,2.29,;-2.1,2.69,;-3.18,1.6,;-2.79,.12,;-1.3,-.28,;-.21,.81,;-3.87,-.97,;-5.41,-.81,;-6.03,-2.22,;-4.89,-3.25,;-4.89,-4.79,;-3.55,-5.56,;-2.22,-4.79,;-.76,-5.27,;.15,-4.02,;-.76,-2.77,;-2.22,-3.25,;-3.55,-2.48,)|
BDBM198495 FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(4.94,2.19,;4.55,3.67,;5.63,4.76,;6.03,3.28,;3.06,4.07,;3.46,5.56,;1.97,5.16,;1.97,2.98,;.48,3.38,;-.61,2.29,;-2.1,2.69,;-3.18,1.6,;-2.79,.12,;-1.3,-.28,;-.21,.81,;-3.87,-.97,;-5.41,-.81,;-6.03,-2.22,;-4.89,-3.25,;-4.89,-4.79,;-3.55,-5.56,;-2.22,-4.79,;-.76,-5.27,;.15,-4.02,;-.76,-2.77,;-2.22,-3.25,;-3.55,-2.48,)|
BDBM198330 C(Cc1ccccc1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(1.22,3.38,;2.31,4.47,;3.8,4.07,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198332 C(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
BDBM198333 N#Cc1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-.9,-.63,;-1.99,-1.72,;-3.48,-1.32,;-3.87,.17,;-2.79,1.26,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|
BDBM198410 Fc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(7.52,2.82,;6.03,3.22,;4.94,2.13,;3.46,2.53,;3.06,4.02,;1.57,4.42,;.48,3.33,;-1.01,3.73,;-1.41,5.21,;-2.1,2.64,;-3.58,3.04,;-4.67,1.95,;-4.27,.46,;-2.79,.06,;-1.7,1.15,;-5.36,-.63,;-6.89,-.47,;-7.52,-1.87,;-6.38,-2.9,;-6.38,-4.44,;-5.04,-5.21,;-3.71,-4.44,;-2.24,-4.92,;-1.34,-3.67,;-2.24,-2.43,;-3.71,-2.9,;-5.04,-2.13,;4.15,5.11,;5.63,4.71,)|
BDBM198411 Fc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
BDBM198412 F[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.91,4.1,;4.58,3.33,;4.1,1.86,;2.56,1.86,;2.09,3.33,;3.33,4.23,;.6,3.73,;.2,5.21,;-.49,2.64,;-1.98,3.04,;-3.07,1.95,;-2.67,.46,;-1.18,.06,;-.09,1.15,;-3.76,-.63,;-5.29,-.47,;-5.91,-1.87,;-4.77,-2.9,;-4.77,-4.44,;-3.44,-5.21,;-2.1,-4.44,;-.64,-4.92,;.27,-3.67,;-.64,-2.43,;-2.1,-2.9,;-3.44,-2.13,)|
BDBM198414 O=C(OCc1ccccc1)N1CCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198597 COc1ccc(cc1OC)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:17.21,wD:14.14,(7.72,.4,;7.32,1.89,;5.83,2.29,;5.43,3.77,;3.95,4.17,;2.86,3.08,;3.26,1.6,;4.74,1.2,;5.14,-.29,;6.63,-.69,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
BDBM198598 N#Cc1ccc(CCN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.26,2.48,;6.78,2.88,;5.29,3.28,;4.2,2.19,;2.71,2.58,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;3.4,5.16,;4.89,4.76,)|
BDBM198599 C1CC1N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.11,wD:4.4,(4.35,2.98,;4.74,4.47,;3.26,4.07,;1.77,4.47,;.68,3.38,;-.81,3.78,;-1.9,2.69,;-1.5,1.2,;-.01,.81,;1.08,1.89,;-2.59,.12,;-4.12,.28,;-4.74,-1.13,;-3.6,-2.16,;-3.6,-3.7,;-2.27,-4.47,;-.93,-3.7,;.53,-4.18,;1.44,-2.93,;.53,-1.69,;-.93,-2.16,;-2.27,-1.39,)|
BDBM198600 N#CCN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.36,;4,4.27,;2.91,3.18,;1.42,3.58,;.34,2.49,;-1.15,2.89,;-2.24,1.8,;-1.84,.31,;-.36,-.08,;.73,1.01,;-2.93,-.77,;-4.46,-.61,;-5.09,-2.02,;-3.95,-3.05,;-3.95,-4.59,;-2.61,-5.36,;-1.28,-4.59,;.19,-5.07,;1.09,-3.82,;.19,-2.57,;-1.28,-3.05,;-2.61,-2.28,)|
BDBM198601 N#CCCN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198334 N#Cc1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:11.14,wD:8.7,(6.72,6.99,;5.63,5.91,;4.55,4.82,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,)|
BDBM198335 FC(F)(F)c1ccc(CN[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,10.9,(5.04,7.19,;5.43,5.71,;6.92,5.31,;6.52,6.79,;4.35,4.62,;4.74,3.13,;3.66,2.04,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-1.1,-.83,;-2.19,-1.92,;-3.68,-1.52,;-4.07,-.03,;-2.98,1.06,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;1.77,3.93,;2.86,5.02,)|
BDBM198336 FC(F)(F)c1ccc(CN[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.52,6.79,;5.43,5.71,;5.04,7.19,;6.92,5.31,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|
BDBM198337 C1CN(CCO1)N[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;.34,1.55,;-.75,.46,;-2.24,.86,;-2.64,2.35,;-1.55,3.44,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|
BDBM198415 OC(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)C(F)(F)F
BDBM198416 N#CCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198417 Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
BDBM198418 C(\C=C\c1ccco1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198420 Clc1n[nH]c2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc12
BDBM198602 FC(F)(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198603 C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:5.8,wD:2.1,(2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.8,4.07,;5.29,4.47,;4.2,5.56,)|
BDBM198604 CN(C)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
BDBM198605 CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198606 FC(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198338 C1CN(CCO1)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(4.4,1.84,;2.91,2.24,;2.51,3.73,;3.6,4.82,;5.09,4.42,;5.49,2.93,;1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,)|
BDBM198339 OCc1ccc(cc1)-c1nnn2cnc3[nH]ccc3c12
BDBM198341 Fc1ccccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198342 FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
BDBM198343 N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198421 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc2nccnc2c1
BDBM198422 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cocn1
BDBM198423 FC(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198424 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccc(cc1)-n1ccnc1
BDBM198425 Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N
BDBM198426 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
BDBM198607 FC(F)(F)C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:9.12,wD:6.5,(3.4,5.56,;3.8,4.07,;5.29,3.67,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.11,1.5,;2.02,.41,;4.6,1.1,;3.51,.01,)|
BDBM198608 OC[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;.73,.81,;-.75,1.2,;-1.15,2.69,;-.06,3.78,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198609 O=C[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;.73,.81,;-.75,1.2,;-1.15,2.69,;-.06,3.78,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198610 OC1CN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;.03,1.71,;-1.06,.62,;-2.55,1.02,;-2.95,2.51,;-1.86,3.6,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
BDBM198611 O[C@H]1CCN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,6.5,1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-.03,1.32,;-1.12,.24,;-2.61,.63,;-3,2.12,;-1.92,3.21,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|
BDBM198344 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
BDBM198345 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccco1
BDBM198346 Ic1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
BDBM198347 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccs1
BDBM198348 Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
BDBM198349 Clc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198350 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccn[nH]1
BDBM198427 Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F
BDBM198428 O=C1COc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2N1
BDBM198430 FC1(F)Oc2ccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)cc2O1
BDBM198431 Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)o1
BDBM198432 FC1(F)Oc2cccc(CN3CCC(CC3)c3nnn4cnc5[nH]ccc5c34)c2O1
BDBM198612 O[C@@H]1CCN(C[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,6.5,wD:1.0,(5.85,5.04,;4.52,4.27,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-.03,1.32,;-1.12,.24,;-2.61,.63,;-3,2.12,;-1.92,3.21,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|
BDBM198613 C(NC1CC1)[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.12,5.5,(1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;.53,.81,;-.55,-.28,;-2.04,.12,;-2.44,1.6,;-1.35,2.69,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198614 FC(F)(F)CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(=O)CC#N |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,;2.37,1.89,;1.28,.81,;3.85,1.5,;4.25,.01,;4.65,-1.48,)|
BDBM198615 O=C(CC#N)N(CC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(1.28,1.15,;2.37,2.24,;3.85,1.84,;4.25,.35,;4.65,-1.13,;1.97,3.73,;3.06,4.82,;4.55,4.42,;6.03,4.02,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198616 O=C(CC#N)N(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:10.13,wD:7.6,(1.97,.41,;3.06,1.5,;4.55,1.1,;4.94,-.39,;5.34,-1.88,;2.66,2.98,;1.17,3.38,;.08,2.29,;-1.41,2.69,;-2.49,1.6,;-2.1,.12,;-.61,-.28,;.48,.81,;-3.18,-.97,;-4.72,-.81,;-5.34,-2.22,;-4.2,-3.25,;-4.2,-4.79,;-2.86,-5.56,;-1.53,-4.79,;-.07,-5.27,;.84,-4.02,;-.07,-2.77,;-1.53,-3.25,;-2.86,-2.48,;3.75,4.07,;5.24,4.47,;4.15,5.56,)|
BDBM198351 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1csnn1
BDBM198352 Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198353 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F
BDBM198354 FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl
BDBM198355 CS(=O)(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198356 Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F
BDBM198433 N#C\C(=C/N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
BDBM198434 Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)n1
BDBM198437 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cnc(s1)N1CCOCC1
BDBM198438 Clc1ccc(cc1)C(=C\N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)\C#N
BDBM198617 Cc1ccc(CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C(=O)CC#N)o1 |r,wU:11.14,wD:8.7,(7.14,5.39,;5.81,4.62,;5.81,3.08,;4.34,2.6,;3.44,3.85,;1.95,4.25,;.86,3.16,;-.63,3.56,;-1.72,2.47,;-3.2,2.86,;-4.29,1.78,;-3.89,.29,;-2.41,-.11,;-1.32,.98,;-4.98,-.8,;-6.51,-.64,;-7.14,-2.05,;-6,-3.08,;-6,-4.62,;-4.66,-5.39,;-3.33,-4.62,;-1.86,-5.09,;-.96,-3.85,;-1.86,-2.6,;-3.33,-3.08,;-4.66,-2.31,;1.26,1.67,;.17,.58,;2.75,1.27,;3.15,-.22,;3.54,-1.7,;4.34,5.09,)|
BDBM198618 FC(F)(F)CN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(=O)CC(F)(F)F |r,wU:10.13,wD:7.6,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,;2.37,1.89,;1.28,.81,;3.85,1.5,;4.25,.01,;5.74,-.39,;3.16,-1.08,;4.65,-1.48,)|
BDBM198619 FC(F)(F)CC(=O)N(CC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.18,wD:12.11,(5.74,-.04,;4.25,.35,;3.16,-.74,;4.65,-1.13,;3.85,1.84,;2.37,2.24,;1.28,1.15,;1.97,3.73,;3.06,4.82,;4.55,4.42,;6.03,4.02,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198620 FC(F)(F)CN(CC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(4.94,.15,;3.46,.55,;2.37,-.54,;3.85,-.93,;3.06,2.04,;1.57,2.44,;1.17,3.93,;2.26,5.02,;3.75,5.41,;2.66,6.5,;.48,1.35,;-1.01,1.75,;-2.1,.66,;-1.7,-.83,;-.21,-1.23,;.88,-.14,;-2.79,-1.92,;-4.32,-1.76,;-4.94,-3.16,;-3.8,-4.19,;-3.8,-5.73,;-2.47,-6.5,;-1.13,-5.73,;.33,-6.21,;1.24,-4.96,;.33,-3.72,;-1.13,-4.19,;-2.47,-3.42,)|
BDBM198357 Fc1cc(Cl)ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198358 Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1Cl
BDBM198359 Clc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccn1
BDBM198360 Fc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198361 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)nc1
BDBM198362 Clc1cnccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198439 Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198440 Brc1csc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
BDBM198441 Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198442 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccncc1
BDBM198443 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cscn1
BDBM198444 NC(=O)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198445 N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
BDBM198621 N#CCN(CC1CC1)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,wD:9.9,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;2.37,2.24,;3.85,1.84,;4.94,.75,;5.34,2.24,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198622 FC(F)(F)CN(CC1CC1)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(4.94,2.58,;4.55,4.07,;5.63,5.16,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;1.28,.81,;-.21,.41,;.88,-.68,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
BDBM198623 OS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;2.94,2.24,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|
BDBM198624 O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NC1CC1 |r,wU:7.10,wD:4.3,(1.57,2.24,;1.97,3.73,;3.3,2.96,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,;3.06,4.82,;4.55,4.42,;5.63,3.33,;6.03,4.82,)|
BDBM198625 CN(C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198363 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(F)c1
BDBM198364 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)c1
BDBM198365 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F
BDBM198366 Fc1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C(F)(F)F
BDBM198367 OCCOc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198368 FC(F)C(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198446 FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N
BDBM198447 FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N
BDBM198448 CC(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
BDBM198449 N#CCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198450 Clc1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)ccc1C#N |r,wU:9.12,wD:6.5,(2.66,6.7,;3.06,5.21,;1.97,4.13,;2.37,2.64,;1.28,1.55,;-.21,1.95,;-1.3,.86,;-2.79,1.26,;-3.87,.17,;-3.48,-1.32,;-1.99,-1.72,;-.9,-.63,;-4.57,-2.41,;-6.1,-2.25,;-6.72,-3.65,;-5.58,-4.68,;-5.58,-6.22,;-4.24,-6.99,;-2.91,-6.22,;-1.45,-6.7,;-.54,-5.45,;-1.45,-4.21,;-2.91,-4.68,;-4.24,-3.91,;3.85,2.24,;4.94,3.33,;4.55,4.82,;5.63,5.91,;6.72,6.99,)|
BDBM198451 N#Cc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)c2ccccc12 |r,wU:11.14,wD:8.7,(6.67,6.99,;5.58,5.91,;4.49,4.82,;3,5.21,;1.92,4.13,;2.31,2.64,;1.22,1.55,;-.26,1.95,;-1.35,.86,;-2.84,1.26,;-3.93,.17,;-3.53,-1.32,;-2.04,-1.72,;-.95,-.63,;-4.62,-2.41,;-6.15,-2.25,;-6.78,-3.65,;-5.63,-4.68,;-5.63,-6.22,;-4.3,-6.99,;-2.96,-6.22,;-1.5,-6.7,;-.59,-5.45,;-1.5,-4.21,;-2.96,-4.68,;-4.3,-3.91,;3.8,2.24,;4.2,.75,;5.69,.35,;6.78,1.44,;6.38,2.93,;4.89,3.33,)|
BDBM198626 O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)NCC#N |r,wU:7.10,wD:4.3,(1.22,1.35,;1.62,2.84,;2.96,2.07,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,)|
BDBM198627 FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;1.42,2.64,;1.03,1.15,;2.76,1.87,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
BDBM198628 FC(F)(F)COC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:13.16,wD:10.9,(6.39,-.45,;6,1.04,;7.08,2.13,;7.48,.64,;4.51,1.44,;4.11,2.92,;2.62,3.32,;1.29,2.55,;.52,3.89,;-.97,4.29,;-2.06,3.2,;-3.55,3.6,;-4.63,2.51,;-4.24,1.02,;-2.75,.62,;-1.66,1.71,;-5.33,-.07,;-6.86,.09,;-7.48,-1.32,;-6.34,-2.35,;-6.34,-3.89,;-5,-4.66,;-3.67,-3.89,;-2.21,-4.36,;-1.3,-3.12,;-2.21,-1.87,;-3.67,-2.35,;-5,-1.58,;1.85,4.66,)|
BDBM198629 CC1(O)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.72,4.09,;4.39,3.32,;5.16,1.99,;3.05,2.55,;2.28,3.89,;.79,4.29,;-.29,3.2,;-1.78,3.6,;-2.87,2.51,;-2.47,1.02,;-.98,.62,;.1,1.71,;-3.56,-.07,;-5.09,.09,;-5.72,-1.32,;-4.57,-2.35,;-4.57,-3.89,;-3.24,-4.66,;-1.91,-3.89,;-.44,-4.36,;.46,-3.12,;-.44,-1.87,;-1.91,-2.35,;-3.24,-1.58,;3.62,4.66,)|
BDBM198630 CN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(6.34,4.01,;5.25,2.92,;5.65,1.44,;3.76,3.32,;2.43,2.55,;1.66,3.89,;.17,4.29,;-.92,3.2,;-2.4,3.6,;-3.49,2.51,;-3.09,1.02,;-1.61,.62,;-.52,1.71,;-4.18,-.07,;-5.71,.09,;-6.34,-1.32,;-5.2,-2.35,;-5.2,-3.89,;-3.86,-4.66,;-2.53,-3.89,;-1.06,-4.36,;-.16,-3.12,;-1.06,-1.87,;-2.53,-2.35,;-3.86,-1.58,;2.99,4.66,)|
BDBM198369 COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
BDBM198370 CC(C)(C)OC(=O)NCCN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198371 OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:8.11,wD:5.4,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;4.79,.47,;6.12,2.78,;6.12,1.24,)|
BDBM198372 FC(F)(F)S(=O)(=O)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:16.19,wD:13.12,(6.58,3.82,;6.18,5.31,;7.27,6.4,;7.67,4.91,;4.69,5.71,;3.6,6.79,;5.09,7.19,;3.6,4.62,;4,3.13,;2.91,2.04,;1.42,2.44,;.34,1.35,;-1.15,1.75,;-2.24,.66,;-3.73,1.06,;-4.82,-.03,;-4.42,-1.52,;-2.93,-1.92,;-1.84,-.83,;-5.51,-2.61,;-7.04,-2.45,;-7.67,-3.85,;-6.52,-4.88,;-6.52,-6.42,;-5.19,-7.19,;-3.85,-6.42,;-2.39,-6.9,;-1.48,-5.65,;-2.39,-4.41,;-3.85,-4.88,;-5.19,-4.11,;1.03,3.93,;2.11,5.02,)|
BDBM198373 C(Cc1ccccc1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,(1.97,3.18,;3.46,2.78,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;.88,2.09,;-.61,2.49,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,)|
BDBM198452 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1F |r,wU:10.13,wD:7.6,(5.78,6.45,;4.69,5.36,;3.2,5.76,;2.11,4.67,;2.51,3.18,;1.42,2.09,;-.06,2.49,;-1.15,1.4,;-2.64,1.8,;-3.73,.71,;-3.33,-.77,;-1.84,-1.17,;-.75,-.08,;-4.42,-1.86,;-5.95,-1.7,;-6.58,-3.11,;-5.43,-4.14,;-5.43,-5.68,;-4.1,-6.45,;-2.77,-5.68,;-1.3,-6.16,;-.4,-4.91,;-1.3,-3.66,;-2.77,-4.14,;-4.1,-3.37,;4,2.78,;5.09,3.87,;6.58,3.47,)|
BDBM198453 Fc1cc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc(F)c1F |r,wU:9.12,wD:6.5,(6.58,3.08,;5.09,3.47,;4,2.39,;2.51,2.78,;1.42,1.7,;-.06,2.09,;-1.15,1.01,;-2.64,1.4,;-3.73,.31,;-3.33,-1.17,;-1.84,-1.57,;-.75,-.48,;-4.42,-2.26,;-5.95,-2.1,;-6.58,-3.51,;-5.43,-4.54,;-5.43,-6.08,;-4.1,-6.85,;-2.77,-6.08,;-1.3,-6.55,;-.4,-5.31,;-1.3,-4.06,;-2.77,-4.54,;-4.1,-3.77,;2.11,4.27,;3.2,5.36,;2.8,6.85,;4.69,4.96,;5.78,6.05,)|
BDBM198454 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;6.92,4.56,;6.23,1.99,;7.32,3.08,)|
BDBM198455 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C#N |r,wU:10.13,wD:7.6,(5.04,6.45,;3.95,5.36,;2.46,5.76,;1.37,4.67,;1.77,3.18,;.68,2.09,;-.81,2.49,;-1.9,1.4,;-3.38,1.8,;-4.47,.71,;-4.07,-.77,;-2.59,-1.17,;-1.5,-.08,;-5.16,-1.86,;-6.69,-1.7,;-7.32,-3.11,;-6.18,-4.14,;-6.18,-5.68,;-4.84,-6.45,;-3.51,-5.68,;-2.04,-6.16,;-1.14,-4.91,;-2.04,-3.66,;-3.51,-4.14,;-4.84,-3.37,;3.26,2.78,;4.35,3.87,;5.83,3.47,;7.32,3.08,)|
BDBM198456 O=C1SCCC1NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(5.7,2.3,;4.93,3.63,;5.41,5.1,;4.16,6,;2.91,5.1,;3.39,3.63,;2.3,2.54,;.81,2.94,;-.28,1.85,;-1.76,2.25,;-2.85,1.16,;-2.45,-.33,;-.97,-.72,;.12,.36,;-3.54,-1.41,;-5.07,-1.25,;-5.7,-2.66,;-4.56,-3.69,;-4.56,-5.23,;-3.22,-6,;-1.89,-5.23,;-.42,-5.71,;.48,-4.46,;-.42,-3.22,;-1.89,-3.69,;-3.22,-2.92,)|
BDBM198631 CCN(C)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,wD:8.7,(7.08,3.61,;5.6,4.01,;4.51,2.92,;4.91,1.44,;3.02,3.32,;1.69,2.55,;.92,3.89,;-.57,4.29,;-1.66,3.2,;-3.15,3.6,;-4.24,2.51,;-3.84,1.02,;-2.35,.62,;-1.26,1.71,;-4.93,-.07,;-6.46,.09,;-7.08,-1.32,;-5.94,-2.35,;-5.94,-3.89,;-4.61,-4.66,;-3.27,-3.89,;-1.81,-4.36,;-.9,-3.12,;-1.81,-1.87,;-3.27,-2.35,;-4.61,-1.58,;2.25,4.66,)|
BDBM198632 OC1(CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1)C(F)(F)F |r,wU:8.11,wD:5.4,(4.49,1.5,;3.72,2.83,;2.39,2.06,;1.62,3.4,;.13,3.8,;-.96,2.71,;-2.45,3.11,;-3.54,2.02,;-3.14,.53,;-1.65,.13,;-.56,1.22,;-4.23,-.56,;-5.76,-.4,;-6.39,-1.8,;-5.24,-2.83,;-5.24,-4.37,;-3.91,-5.14,;-2.57,-4.37,;-1.11,-4.85,;-.2,-3.6,;-1.11,-2.36,;-2.57,-2.83,;-3.91,-2.06,;2.95,4.17,;5.05,3.6,;6.39,2.83,;5.05,5.14,;6.39,4.37,)|
BDBM198633 FC(F)(F)CNC(=O)C1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,wD:12.11,(8.37,3.54,;6.89,3.94,;6.49,5.42,;7.97,5.03,;5.8,2.85,;4.31,3.25,;3.22,2.16,;3.62,.67,;1.73,2.56,;.4,1.79,;-.37,3.12,;-1.86,3.52,;-2.95,2.43,;-4.44,2.83,;-5.52,1.74,;-5.13,.25,;-3.64,-.15,;-2.55,.94,;-6.21,-.84,;-7.75,-.68,;-8.37,-2.08,;-7.23,-3.11,;-7.23,-4.65,;-5.89,-5.42,;-4.56,-4.65,;-3.1,-5.13,;-2.19,-3.88,;-3.1,-2.64,;-4.56,-3.11,;-5.89,-2.34,;.96,3.89,)|
BDBM198634 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;4.2,5.56,;2.71,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198514 CC(C)(O)C1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(6.58,3.62,;5.49,2.53,;5.89,1.04,;6.98,2.13,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198515 O[C@H]1CCCC[C@H]1CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.17,wD:10.10,6.7,1.0,(3.11,1.5,;4.2,2.58,;5.69,2.19,;6.78,3.28,;6.38,4.76,;4.89,5.16,;3.8,4.07,;2.31,4.47,;1.22,3.38,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198516 OC1(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CCCCC1 |r,wU:8.11,wD:5.4,(5.43,5.16,;4.35,4.07,;2.86,4.47,;1.77,3.38,;.28,3.78,;-.81,2.69,;-2.29,3.09,;-3.38,2,;-2.98,.51,;-1.5,.12,;-.41,1.2,;-4.07,-.58,;-5.61,-.41,;-6.23,-1.82,;-5.09,-2.85,;-5.09,-4.39,;-3.75,-5.16,;-2.42,-4.39,;-.96,-4.87,;-.05,-3.62,;-.96,-2.38,;-2.42,-2.85,;-3.75,-2.08,;3.26,2.98,;3.66,1.5,;5.14,1.1,;6.23,2.19,;5.83,3.67,)|
BDBM198517 N#CCCN1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:12.15,wD:9.8,(7.92,.25,;6.43,.65,;4.94,1.04,;4.55,2.53,;3.06,2.93,;1.97,1.84,;.48,2.24,;.08,3.73,;-1.41,4.13,;-2.49,3.04,;-3.98,3.44,;-5.07,2.35,;-4.67,.86,;-3.18,.46,;-2.1,1.55,;-5.76,-.23,;-7.29,-.07,;-7.92,-1.48,;-6.77,-2.51,;-6.77,-4.05,;-5.44,-4.82,;-4.11,-4.05,;-2.64,-4.52,;-1.74,-3.28,;-2.64,-2.03,;-4.11,-2.51,;-5.44,-1.74,;1.17,4.82,;2.66,4.42,)|
BDBM198518 OCCN1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:11.14,wD:8.7,(7.17,.65,;5.69,1.04,;5.29,2.53,;3.8,2.93,;2.71,1.84,;1.22,2.24,;.83,3.73,;-.66,4.13,;-1.75,3.04,;-3.24,3.44,;-4.33,2.35,;-3.93,.86,;-2.44,.46,;-1.35,1.55,;-5.02,-.23,;-6.55,-.07,;-7.17,-1.48,;-6.03,-2.51,;-6.03,-4.05,;-4.7,-4.82,;-3.36,-4.05,;-1.9,-4.52,;-.99,-3.28,;-1.9,-2.03,;-3.36,-2.51,;-4.7,-1.74,;1.92,4.82,;3.4,4.42,)|
BDBM198590 FC(F)(F)CNC(=O)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-1.5,.81,;-2.59,-.28,;-4.07,.12,;-4.47,1.6,;-3.38,2.69,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|
BDBM198591 FC(F)(F)CNC(=O)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.92,5.45,;5.83,4.36,;6.23,2.88,;7.32,3.97,;4.35,4.76,;3.26,3.67,;1.77,4.07,;1.37,5.56,;.68,2.98,;-.81,3.38,;-1.9,2.29,;-3.38,2.69,;-4.47,1.6,;-4.07,.12,;-2.59,-.28,;-1.5,.81,;-5.16,-.97,;-6.69,-.81,;-7.32,-2.22,;-6.18,-3.25,;-6.18,-4.79,;-4.84,-5.56,;-3.51,-4.79,;-2.04,-5.27,;-1.14,-4.02,;-2.04,-2.77,;-3.51,-3.25,;-4.84,-2.48,)|
BDBM198593 CSc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
BDBM198519 C(NC12CC(C1)C2)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.15,wD:7.8,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;4.2,5.16,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|
BDBM198520 FC(F)(F)C(NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:10.13,wD:7.6,(4.94,1.44,;4.55,2.93,;5.63,4.02,;6.03,2.53,;3.06,3.33,;1.97,2.24,;.48,2.64,;-.61,1.55,;-2.1,1.95,;-3.18,.86,;-2.79,-.63,;-1.3,-1.03,;-.21,.06,;-3.87,-1.72,;-5.41,-1.56,;-6.03,-2.96,;-4.89,-3.99,;-4.89,-5.53,;-3.55,-6.3,;-2.22,-5.53,;-.76,-6.01,;.15,-4.76,;-.76,-3.52,;-2.22,-3.99,;-3.55,-3.22,;2.66,4.82,;3.75,5.91,;1.17,5.21,;2.26,6.3,)|
BDBM198521 CC(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:12.15,wD:9.8,4.3,(7.19,5.04,;5.85,4.27,;5.85,2.73,;4.52,5.04,;3.19,4.27,;3.19,2.73,;1.72,2.26,;.82,3.5,;-.67,3.9,;-1.76,2.81,;-3.25,3.21,;-4.34,2.12,;-3.94,.63,;-2.45,.24,;-1.36,1.32,;-5.03,-.46,;-6.56,-.29,;-7.19,-1.7,;-6.04,-2.73,;-6.04,-4.27,;-4.71,-5.04,;-3.37,-4.27,;-1.91,-4.75,;-1,-3.5,;-1.91,-2.26,;-3.37,-2.73,;-4.71,-1.96,;1.72,4.75,)|
BDBM198522 CC(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:12.15,4.3,wD:9.8,(7.19,5.04,;5.85,4.27,;5.85,2.73,;4.52,5.04,;3.19,4.27,;3.19,2.73,;1.72,2.26,;.82,3.5,;-.67,3.9,;-1.76,2.81,;-3.25,3.21,;-4.34,2.12,;-3.94,.63,;-2.45,.24,;-1.36,1.32,;-5.03,-.46,;-6.56,-.29,;-7.19,-1.7,;-6.04,-2.73,;-6.04,-4.27,;-4.71,-5.04,;-3.37,-4.27,;-1.91,-4.75,;-1,-3.5,;-1.91,-2.26,;-3.37,-2.73,;-4.71,-1.96,;1.72,4.75,)|
BDBM198594 COc1ccc(cn1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;5.43,3.77,;3.95,4.17,;2.86,3.08,;3.26,1.6,;4.74,1.2,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
BDBM198595 COc1ccc(cc1)C(O)(CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:15.19,wD:12.12,(7.72,.4,;7.32,1.89,;5.83,2.29,;4.74,1.2,;3.26,1.6,;2.86,3.08,;3.95,4.17,;5.43,3.77,;1.37,3.48,;.28,4.57,;.28,2.39,;-1.21,2.79,;-2.29,1.7,;-3.78,2.1,;-4.87,1.01,;-4.47,-.47,;-2.98,-.87,;-1.9,.22,;-5.56,-1.56,;-7.09,-1.4,;-7.72,-2.81,;-6.57,-3.84,;-6.57,-5.38,;-5.24,-6.15,;-3.91,-5.38,;-2.44,-5.86,;-1.54,-4.61,;-2.44,-3.36,;-3.91,-3.84,;-5.24,-3.07,;2.14,4.82,;3.68,4.82,;1.37,6.15,;2.91,6.15,)|
BDBM198596 Fc1ccc(cc1)[C@@H]1C[C@H]1CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.20,7.7,wD:12.13,9.11,(6.83,7.68,;6.06,6.35,;6.83,5.02,;6.06,3.68,;4.52,3.68,;3.75,5.02,;4.52,6.35,;3.75,2.35,;2.66,3.44,;2.26,1.95,;1.17,.86,;-.32,1.26,;-1.4,.17,;-2.89,.57,;-3.98,-.52,;-3.58,-2.01,;-2.09,-2.41,;-1.01,-1.32,;-4.67,-3.1,;-6.2,-2.94,;-6.83,-4.34,;-5.68,-5.37,;-5.68,-6.91,;-4.35,-7.68,;-3.02,-6.91,;-1.55,-7.39,;-.65,-6.14,;-1.55,-4.9,;-3.02,-5.37,;-4.35,-4.6,)|
BDBM198523 FC(F)(F)C(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,wD:12.11,7.6,(7.85,3.5,;6.52,4.27,;6.52,5.81,;7.85,5.04,;5.19,3.5,;5.19,1.96,;3.85,4.27,;2.52,3.5,;2.52,1.96,;1.05,1.49,;.15,2.73,;-1.34,3.13,;-2.43,2.04,;-3.92,2.44,;-5,1.35,;-4.61,-.14,;-3.12,-.53,;-2.03,.55,;-5.7,-1.23,;-7.23,-1.06,;-7.85,-2.47,;-6.71,-3.5,;-6.71,-5.04,;-5.37,-5.81,;-4.04,-5.04,;-2.58,-5.52,;-1.67,-4.27,;-2.58,-3.03,;-4.04,-3.5,;-5.37,-2.73,;1.05,3.98,)|
BDBM198524 FC(F)(F)C(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:15.18,7.6,wD:12.11,(7.85,3.5,;6.52,4.27,;6.52,5.81,;7.85,5.04,;5.19,3.5,;5.19,1.96,;3.85,4.27,;2.52,3.5,;2.52,1.96,;1.05,1.49,;.15,2.73,;-1.34,3.13,;-2.43,2.04,;-3.92,2.44,;-5,1.35,;-4.61,-.14,;-3.12,-.53,;-2.03,.55,;-5.7,-1.23,;-7.23,-1.06,;-7.85,-2.47,;-6.71,-3.5,;-6.71,-5.04,;-5.37,-5.81,;-4.04,-5.04,;-2.58,-5.52,;-1.67,-4.27,;-2.58,-3.03,;-4.04,-3.5,;-5.37,-2.73,;1.05,3.98,)|
BDBM198525 Fc1ccc(cc1)C1(COC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.21,wD:13.14,(7.52,2.17,;6.03,2.57,;4.94,1.48,;3.46,1.88,;3.06,3.37,;4.15,4.45,;5.63,4.06,;1.57,3.76,;2.34,5.1,;1.01,5.87,;.24,4.53,;.48,2.68,;-1.01,3.07,;-2.1,1.99,;-3.58,2.38,;-4.67,1.29,;-4.27,-.19,;-2.79,-.59,;-1.7,.5,;-5.36,-1.28,;-6.89,-1.12,;-7.52,-2.53,;-6.38,-3.56,;-6.38,-5.1,;-5.04,-5.87,;-3.71,-5.1,;-2.24,-5.57,;-1.34,-4.33,;-2.24,-3.08,;-3.71,-3.56,;-5.04,-2.79,)|
BDBM198526 Fc1ccc(cc1)C1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.20,wD:12.13,(7.52,2.48,;6.03,2.88,;4.94,1.79,;3.46,2.19,;3.06,3.67,;4.15,4.76,;5.63,4.36,;1.57,4.07,;1.97,5.56,;.48,5.16,;.48,2.98,;-1.01,3.38,;-2.1,2.29,;-3.58,2.69,;-4.67,1.6,;-4.27,.12,;-2.79,-.28,;-1.7,.81,;-5.36,-.97,;-6.89,-.81,;-7.52,-2.22,;-6.38,-3.25,;-6.38,-4.79,;-5.04,-5.56,;-3.71,-4.79,;-2.24,-5.27,;-1.34,-4.02,;-2.24,-2.77,;-3.71,-3.25,;-5.04,-2.48,)|
BDBM198527 Fc1ccc(cc1)C1(CCC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.21,wD:13.14,(7.52,2.17,;6.03,2.57,;4.94,1.48,;3.46,1.88,;3.06,3.37,;4.15,4.45,;5.63,4.06,;1.57,3.76,;2.34,5.1,;1.01,5.87,;.24,4.53,;.48,2.68,;-1.01,3.07,;-2.1,1.99,;-3.58,2.38,;-4.67,1.29,;-4.27,-.19,;-2.79,-.59,;-1.7,.5,;-5.36,-1.28,;-6.89,-1.12,;-7.52,-2.53,;-6.38,-3.56,;-6.38,-5.1,;-5.04,-5.87,;-3.71,-5.1,;-2.24,-5.57,;-1.34,-4.33,;-2.24,-3.08,;-3.71,-3.56,;-5.04,-2.79,)|
BDBM198528 COCCN(C)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(6.58,4.76,;5.09,5.16,;4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;-.06,3.78,;-1.15,2.69,;-2.64,3.09,;-3.73,2,;-3.33,.51,;-1.84,.12,;-.75,1.2,;-4.42,-.58,;-5.95,-.41,;-6.58,-1.82,;-5.43,-2.85,;-5.43,-4.39,;-4.1,-5.16,;-2.77,-4.39,;-1.3,-4.87,;-.4,-3.62,;-1.3,-2.38,;-2.77,-2.85,;-4.1,-2.08,)|
BDBM198529 COCCN(CCOC)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.58,4.76,;5.09,5.16,;4,4.07,;2.51,4.47,;1.42,3.38,;1.82,1.89,;3.31,1.5,;3.71,.01,;5.2,-.39,;-.06,3.78,;-1.15,2.69,;-2.64,3.09,;-3.73,2,;-3.33,.51,;-1.84,.12,;-.75,1.2,;-4.42,-.58,;-5.95,-.41,;-6.58,-1.82,;-5.43,-2.85,;-5.43,-4.39,;-4.1,-5.16,;-2.77,-4.39,;-1.3,-4.87,;-.4,-3.62,;-1.3,-2.38,;-2.77,-2.85,;-4.1,-2.08,)|
BDBM198530 OCC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.83,4.76,;4.74,3.67,;3.26,4.07,;3.66,5.56,;2.17,5.16,;2.17,2.98,;.68,3.38,;-.41,2.29,;-1.9,2.69,;-2.98,1.6,;-2.59,.12,;-1.1,-.28,;-.01,.81,;-3.68,-.97,;-5.21,-.81,;-5.83,-2.22,;-4.69,-3.25,;-4.69,-4.79,;-3.36,-5.56,;-2.02,-4.79,;-.56,-5.27,;.35,-4.02,;-.56,-2.77,;-2.02,-3.25,;-3.36,-2.48,)|
BDBM198531 FC1(F)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,(5.85,5.04,;4.52,4.27,;5.85,3.5,;4.52,2.73,;3.05,2.26,;2.15,3.5,;.66,3.9,;-.43,2.81,;-1.92,3.21,;-3,2.12,;-2.61,.63,;-1.12,.24,;-.03,1.32,;-3.69,-.46,;-5.23,-.29,;-5.85,-1.7,;-4.71,-2.73,;-4.71,-4.27,;-3.37,-5.04,;-2.04,-4.27,;-.58,-4.75,;.33,-3.5,;-.58,-2.26,;-2.04,-2.73,;-3.37,-1.96,;3.05,4.75,)|
BDBM198532 CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
BDBM198533 CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.29,4.42,;3.8,4.82,;2.71,3.73,;1.22,4.13,;.14,3.04,;-1.35,3.44,;-2.44,2.35,;-2.04,.86,;-.55,.46,;.53,1.55,;-3.13,-.23,;-4.66,-.07,;-5.29,-1.48,;-4.14,-2.51,;-4.14,-4.05,;-2.81,-4.82,;-1.48,-4.05,;-.01,-4.52,;.89,-3.28,;-.01,-2.03,;-1.48,-2.51,;-2.81,-1.74,)|
BDBM198534 CC(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198535 CC(C)(C)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198536 C#CCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(6.03,4.02,;4.55,4.42,;3.06,4.82,;1.97,3.73,;.48,4.13,;-.61,3.04,;-2.1,3.44,;-3.18,2.35,;-2.79,.86,;-1.3,.46,;-.21,1.55,;-3.87,-.23,;-5.41,-.07,;-6.03,-1.48,;-4.89,-2.51,;-4.89,-4.05,;-3.55,-4.82,;-2.22,-4.05,;-.76,-4.52,;.15,-3.28,;-.76,-2.03,;-2.22,-2.51,;-3.55,-1.74,)|
BDBM198202 OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198538 CC(C)(C)OC(=O)N1CCC(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:17.20,wD:14.13,(8.46,2.08,;8.06,3.57,;9.15,4.66,;9.55,3.17,;6.58,3.97,;5.49,2.88,;5.89,1.39,;4,3.28,;2.91,2.19,;1.42,2.58,;1.03,4.07,;-.46,4.47,;-1.55,3.38,;-3.04,3.78,;-4.13,2.69,;-5.61,3.09,;-6.7,2,;-6.31,.51,;-4.82,.12,;-3.73,1.2,;-7.39,-.58,;-8.93,-.41,;-9.55,-1.82,;-8.41,-2.85,;-8.41,-4.39,;-7.07,-5.16,;-5.74,-4.39,;-4.28,-4.87,;-3.37,-3.62,;-4.28,-2.38,;-5.74,-2.85,;-7.07,-2.08,;2.11,5.16,;3.6,4.76,)|
BDBM198539 CC(C)(C)OC(=O)NCC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:17.20,wD:14.13,(8.48,2.35,;8.07,3.83,;9.15,4.93,;9.56,3.44,;6.58,4.23,;5.5,3.13,;5.9,1.65,;4.01,3.52,;2.92,2.43,;1.44,2.82,;1.02,4.31,;-.47,4.7,;-1.56,3.61,;-3.04,4.01,;-4.13,2.92,;-5.62,3.32,;-6.71,2.23,;-6.31,.75,;-4.82,.35,;-3.73,1.44,;-7.4,-.34,;-8.93,-.18,;-9.56,-1.59,;-8.41,-2.62,;-8.41,-4.16,;-7.08,-4.93,;-5.75,-4.16,;-4.28,-4.63,;-3.38,-3.39,;-4.28,-2.14,;-5.75,-2.62,;-7.08,-1.85,;-1.14,2.13,;.35,1.73,)|
BDBM198540 CC(C)(C)OC(=O)N1CC[C@@H](C1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:17.21,wD:14.14,10.12,(6.93,7.16,;5.6,6.39,;5.6,4.85,;6.93,5.62,;4.26,7.16,;2.93,6.39,;1.6,7.16,;2.93,4.85,;4.18,3.94,;3.7,2.48,;2.16,2.48,;1.68,3.94,;1.07,1.39,;-.42,1.79,;-1.51,.7,;-2.99,1.1,;-4.08,.01,;-3.68,-1.48,;-2.2,-1.88,;-1.11,-.79,;-4.77,-2.57,;-6.3,-2.41,;-6.93,-3.82,;-5.79,-4.85,;-5.79,-6.39,;-4.45,-7.16,;-3.12,-6.39,;-1.65,-6.86,;-.75,-5.62,;-1.65,-4.37,;-3.12,-4.85,;-4.45,-4.08,)|
BDBM198541 FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:8.11,wD:5.4,(5.8,2.92,;4.31,3.32,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
BDBM198542 FC1(F)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.4,2.23,;4.31,3.32,;5.8,3.72,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
BDBM198543 CN(C)[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:11.14,wD:8.7,3.2,(6.58,3.12,;5.25,3.89,;5.25,5.43,;3.91,3.12,;3.44,1.65,;1.9,1.65,;1.42,3.12,;-.07,3.52,;-1.16,2.43,;-2.64,2.83,;-3.73,1.74,;-3.33,.25,;-1.85,-.15,;-.76,.94,;-4.42,-.84,;-5.95,-.68,;-6.58,-2.09,;-5.44,-3.12,;-5.44,-4.66,;-4.1,-5.43,;-2.77,-4.66,;-1.3,-5.13,;-.4,-3.89,;-1.3,-2.64,;-2.77,-3.12,;-4.1,-2.35,;2.67,4.02,)|
BDBM198544 FC(F)(F)CNC(=O)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.17,wD:11.10,(7.87,4.36,;6.38,4.76,;5.98,6.25,;7.47,5.85,;5.29,3.67,;3.8,4.07,;2.71,2.98,;3.11,1.5,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-3.93,2,;-5.02,.91,;-4.62,-.58,;-3.13,-.97,;-2.04,.12,;-5.71,-1.66,;-7.24,-1.5,;-7.87,-2.91,;-6.72,-3.94,;-6.72,-5.48,;-5.39,-6.25,;-4.05,-5.48,;-2.59,-5.96,;-1.68,-4.71,;-2.59,-3.46,;-4.05,-3.94,;-5.39,-3.17,)|
BDBM198545 FC(F)(F)C(F)(F)CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:13.16,wD:10.9,(6.38,4.76,;5.29,3.67,;5.69,2.19,;6.78,3.28,;3.8,4.07,;4.89,5.16,;4.2,2.58,;2.31,4.47,;1.22,3.38,;-.26,3.78,;-1.35,2.69,;-2.84,3.09,;-3.93,2,;-3.53,.51,;-2.04,.12,;-.95,1.2,;-4.62,-.58,;-6.15,-.41,;-6.78,-1.82,;-5.63,-2.85,;-5.63,-4.39,;-4.3,-5.16,;-2.96,-4.39,;-1.5,-4.87,;-.59,-3.62,;-1.5,-2.38,;-2.96,-2.85,;-4.3,-2.08,)|
BDBM198546 OC(CNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C(F)(F)F |r,wU:8.11,wD:5.4,(4.4,1.84,;4,3.33,;2.51,3.73,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,;5.09,4.42,;4.69,5.91,;6.58,4.02,;6.18,5.51,)|
BDBM198547 C(NC1CSC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|
BDBM198548 CCS(=O)(=O)N1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:13.16,wD:10.9,(7.52,3.22,;6.03,3.62,;4.94,2.53,;4.55,1.04,;6.28,1.76,;3.46,2.93,;2.37,1.84,;.88,2.24,;.48,3.73,;-1.01,4.13,;-2.1,3.04,;-3.58,3.44,;-4.67,2.35,;-4.27,.86,;-2.79,.46,;-1.7,1.55,;-5.36,-.23,;-6.89,-.07,;-7.52,-1.48,;-6.38,-2.51,;-6.38,-4.05,;-5.04,-4.82,;-3.71,-4.05,;-2.24,-4.52,;-1.34,-3.28,;-2.24,-2.03,;-3.71,-2.51,;-5.04,-1.74,;1.57,4.82,;3.06,4.42,)|
BDBM198549 OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccccc1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.06,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,;4.79,2.01,;6.12,2.78,;4.79,.47,;6.12,1.24,)|
BDBM198550 OC(CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)(c1ccc(F)cc1)C(F)(F)F |r,wU:9.12,wD:6.5,(2.71,.95,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;4.2,3.53,;5.69,3.13,;6.78,4.22,;6.38,5.71,;7.47,6.79,;4.89,6.1,;3.8,5.02,;4.44,1.67,;5.78,2.44,;4.44,.13,;5.78,.9,)|
BDBM198551 NC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
BDBM198552 Cc1ccc(CNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)o1 |r,wU:12.15,wD:9.8,(7.14,5.39,;5.81,4.62,;5.81,3.08,;4.34,2.6,;3.44,3.85,;1.95,4.25,;.86,3.16,;-.63,3.56,;-1.03,5.04,;-1.72,2.47,;-3.2,2.86,;-4.29,1.78,;-3.89,.29,;-2.41,-.11,;-1.32,.98,;-4.98,-.8,;-6.51,-.64,;-7.14,-2.05,;-6,-3.08,;-6,-4.62,;-4.66,-5.39,;-3.33,-4.62,;-1.86,-5.09,;-.96,-3.85,;-1.86,-2.6,;-3.33,-3.08,;-4.66,-2.31,;4.34,5.09,)|
BDBM198553 O=C(NCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-2.15,5.21,;-1.75,3.73,;-.26,3.33,;.83,4.42,;2.31,4.02,;2.71,2.53,;4.2,2.13,;5.29,3.22,;4.89,4.71,;3.4,5.11,;6.78,2.82,;8.26,2.42,;-2.84,2.64,;-4.33,3.04,;-5.42,1.95,;-5.02,.46,;-3.53,.06,;-2.44,1.15,;-6.11,-.63,;-7.64,-.47,;-8.26,-1.87,;-7.12,-2.9,;-7.12,-4.44,;-5.79,-5.21,;-4.45,-4.44,;-2.99,-4.92,;-2.08,-3.67,;-2.99,-2.43,;-4.45,-2.9,;-5.79,-2.13,)|
BDBM198554 O=C(NC(C#N)c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:15.19,wD:12.12,(-.66,4.13,;-.26,2.64,;1.22,2.24,;2.31,3.33,;1.92,4.82,;1.52,6.3,;3.8,2.93,;4.2,1.44,;5.69,1.04,;6.78,2.13,;6.38,3.62,;4.89,4.02,;-1.35,1.55,;-2.84,1.95,;-3.93,.86,;-3.53,-.63,;-2.04,-1.03,;-.95,.06,;-4.62,-1.72,;-6.15,-1.56,;-6.78,-2.96,;-5.63,-3.99,;-5.63,-5.53,;-4.3,-6.3,;-2.96,-5.53,;-1.5,-6.01,;-.59,-4.76,;-1.5,-3.52,;-2.96,-3.99,;-4.3,-3.22,)|
BDBM198555 Clc1ccc(CCNC(=O)[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(7.47,6.79,;6.38,5.71,;6.78,4.22,;5.69,3.13,;4.2,3.53,;3.11,2.44,;1.62,2.84,;.53,1.75,;-.95,2.15,;-1.35,3.63,;-2.04,1.06,;-3.53,1.46,;-4.62,.37,;-4.22,-1.12,;-2.73,-1.52,;-1.64,-.43,;-5.31,-2.21,;-6.84,-2.05,;-7.47,-3.45,;-6.32,-4.48,;-6.32,-6.02,;-4.99,-6.79,;-3.65,-6.02,;-2.19,-6.5,;-1.29,-5.25,;-2.19,-4.01,;-3.65,-4.48,;-4.99,-3.71,;3.8,5.02,;4.89,6.1,)|
BDBM198556 O[C@H](CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:9.12,wD:6.5,1.0,(3.85,1.3,;3.46,2.78,;1.97,3.18,;.88,2.09,;-.61,2.49,;-1.01,3.98,;-1.7,1.4,;-3.18,1.8,;-4.27,.71,;-3.87,-.77,;-2.39,-1.17,;-1.3,-.08,;-4.96,-1.86,;-6.5,-1.7,;-7.12,-3.11,;-5.98,-4.14,;-5.98,-5.68,;-4.64,-6.45,;-3.31,-5.68,;-1.85,-6.16,;-.94,-4.91,;-1.85,-3.66,;-3.31,-4.14,;-4.64,-3.37,;4.55,3.87,;6.03,3.47,;7.12,4.56,;6.72,6.05,;5.24,6.45,;4.15,5.36,)|
BDBM198557 FC(F)(F)CNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.94,2.53,;4.55,4.02,;5.63,5.11,;6.03,3.62,;3.06,4.42,;1.97,3.33,;.48,3.73,;.08,5.21,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|
BDBM198558 O=C(NCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(.08,5.21,;.48,3.73,;1.97,3.33,;3.06,4.42,;4.55,4.02,;6.03,3.62,;-.61,2.64,;-2.1,3.04,;-3.18,1.95,;-2.79,.46,;-1.3,.06,;-.21,1.15,;-3.87,-.63,;-5.41,-.47,;-6.03,-1.87,;-4.89,-2.9,;-4.89,-4.44,;-3.55,-5.21,;-2.22,-4.44,;-.76,-4.92,;.15,-3.67,;-.76,-2.43,;-2.22,-2.9,;-3.55,-2.13,)|
BDBM198559 O=C(NCCC#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(-.26,4.72,;.14,3.24,;1.62,2.84,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
BDBM198560 O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC[C@@H](C1)C#N |r,wU:5.8,23.29,wD:2.1,(-.4,5,;-.01,3.52,;-1.09,2.43,;-2.58,2.83,;-3.67,1.74,;-3.27,.25,;-1.78,-.15,;-.7,.94,;-4.36,-.84,;-5.89,-.68,;-6.52,-2.09,;-5.37,-3.12,;-5.37,-4.66,;-4.04,-5.43,;-2.71,-4.66,;-1.24,-5.13,;-.34,-3.89,;-1.24,-2.64,;-2.71,-3.12,;-4.04,-2.35,;1.48,3.12,;2.39,1.87,;3.85,2.35,;3.85,3.89,;2.39,4.36,;5.19,4.66,;6.52,5.43,)|
BDBM198561 O[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,1.0,wD:8.8,(5.85,4.87,;4.52,4.1,;4.52,2.56,;3.05,2.08,;2.15,3.33,;3.05,4.57,;.66,3.73,;.26,5.21,;-.43,2.64,;-1.92,3.04,;-3,1.95,;-2.61,.46,;-1.12,.06,;-.03,1.15,;-3.69,-.63,;-5.23,-.47,;-5.85,-1.87,;-4.71,-2.9,;-4.71,-4.44,;-3.37,-5.21,;-2.04,-4.44,;-.58,-4.92,;.33,-3.67,;-.58,-2.43,;-2.04,-2.9,;-3.37,-2.13,)|
BDBM198562 O=C(NC1CC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(.83,4.87,;1.22,3.38,;2.71,2.98,;3.8,4.07,;5.29,4.47,;4.2,5.56,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198563 OCCNC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.83,5.11,;4.74,4.02,;3.26,4.42,;2.17,3.33,;.68,3.73,;.28,5.21,;-.41,2.64,;-1.9,3.04,;-2.98,1.95,;-2.59,.46,;-1.1,.06,;-.01,1.15,;-3.68,-.63,;-5.21,-.47,;-5.83,-1.87,;-4.69,-2.9,;-4.69,-4.44,;-3.36,-5.21,;-2.02,-4.44,;-.56,-4.92,;.35,-3.67,;-.56,-2.43,;-2.02,-2.9,;-3.36,-2.13,)|
BDBM198564 OC1CN(C1)C(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.14,wD:7.7,(5.8,2.37,;4.31,2.77,;2.98,2,;2.21,3.33,;3.54,4.1,;.72,3.73,;.32,5.21,;-.37,2.64,;-1.86,3.04,;-2.95,1.95,;-2.55,.46,;-1.06,.06,;.03,1.15,;-3.64,-.63,;-5.17,-.47,;-5.8,-1.87,;-4.65,-2.9,;-4.65,-4.44,;-3.32,-5.21,;-1.98,-4.44,;-.52,-4.92,;.39,-3.67,;-.52,-2.43,;-1.98,-2.9,;-3.32,-2.13,)|
BDBM198565 O=C(NCCc1ccc(cc1)C#N)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.20,wD:13.13,(-1.9,3.09,;-1.5,1.6,;-.01,1.2,;1.08,2.29,;2.57,1.89,;3.66,2.98,;5.14,2.58,;6.23,3.67,;5.83,5.16,;4.35,5.56,;3.26,4.47,;6.92,6.25,;8.01,7.34,;-2.59,.51,;-4.07,.91,;-5.16,-.18,;-4.76,-1.66,;-3.28,-2.06,;-2.19,-.97,;-5.85,-2.75,;-7.38,-2.59,;-8.01,-4,;-6.87,-5.03,;-6.87,-6.57,;-5.53,-7.34,;-4.2,-6.57,;-2.73,-7.05,;-1.83,-5.8,;-2.73,-4.55,;-4.2,-5.03,;-5.53,-4.26,)|
BDBM198566 O=C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CC(C1)C#N |r,wU:5.8,wD:2.1,(-.42,5.21,;-.03,3.73,;-1.12,2.64,;-2.6,3.04,;-3.69,1.95,;-3.29,.46,;-1.81,.06,;-.72,1.15,;-4.38,-.63,;-5.91,-.47,;-6.54,-1.87,;-5.4,-2.9,;-5.4,-4.44,;-4.06,-5.21,;-2.73,-4.44,;-1.26,-4.92,;-.36,-3.67,;-1.26,-2.43,;-2.73,-2.9,;-4.06,-2.13,;1.46,3.33,;2.23,2,;3.56,2.77,;2.79,4.1,;5.05,2.37,;6.54,1.97,)|
BDBM198568 Fc1ccc(cc1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:14.18,wD:11.11,(6.18,6.45,;5.09,5.36,;5.49,3.87,;4.4,2.78,;2.91,3.18,;2.51,4.67,;3.6,5.76,;1.82,2.09,;1.42,.61,;3.16,1.32,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,)|
BDBM198496 COCC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.15,wD:8.8,(6.58,4.36,;5.09,4.76,;4,3.67,;2.51,4.07,;2.91,5.56,;1.42,5.16,;1.42,2.98,;-.06,3.38,;-1.15,2.29,;-2.64,2.69,;-3.73,1.6,;-3.33,.12,;-1.84,-.28,;-.75,.81,;-4.42,-.97,;-5.95,-.81,;-6.58,-2.22,;-5.43,-3.25,;-5.43,-4.79,;-4.1,-5.56,;-2.77,-4.79,;-1.3,-5.27,;-.4,-4.02,;-1.3,-2.77,;-2.77,-3.25,;-4.1,-2.48,)|
BDBM198497 C(NC1COC1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(1.2,3.36,;2.69,2.96,;3.78,4.05,;5.32,4.05,;5.32,5.59,;3.78,5.59,;.11,2.27,;-1.38,2.67,;-2.47,1.58,;-2.07,.09,;-.58,-.31,;.51,.78,;-3.16,-1,;-4.69,-.84,;-5.32,-2.25,;-4.17,-3.28,;-4.17,-4.82,;-2.84,-5.59,;-1.5,-4.82,;-.04,-5.29,;.87,-4.05,;-.04,-2.8,;-1.5,-3.28,;-2.84,-2.51,)|
BDBM198498 CC1(CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.13,wD:6.6,(5.29,3.67,;3.8,4.07,;4.2,5.56,;2.71,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198499 CN(C)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(4.55,4.82,;3.46,3.73,;3.85,2.24,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
BDBM198500 CN(CCO)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(2.57,1.89,;2.17,3.38,;3.26,4.47,;4.74,4.07,;5.83,5.16,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198569 O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CC1 |r,wU:7.10,wD:4.3,(2.31,1.5,;2.71,2.98,;3.8,1.89,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,;3.8,4.07,;5.29,4.47,;4.2,5.56,)|
BDBM198570 IC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198571 FC(F)(F)S(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;2.31,1.5,;4.05,2.21,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198573 CC(C)(O)c1cn(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)nn1 |r,wU:11.14,wD:8.7,(4.42,5.71,;5.19,4.37,;5.96,5.71,;6.52,3.6,;3.85,3.6,;2.39,4.08,;1.48,2.83,;-.01,3.23,;-1.09,2.14,;-2.58,2.54,;-3.67,1.45,;-3.27,-.03,;-1.78,-.43,;-.7,.66,;-4.36,-1.12,;-5.89,-.96,;-6.52,-2.37,;-5.37,-3.4,;-5.37,-4.94,;-4.04,-5.71,;-2.71,-4.94,;-1.24,-5.41,;-.34,-4.17,;-1.24,-2.92,;-2.71,-3.4,;-4.04,-2.63,;2.39,1.59,;3.85,2.06,)|
BDBM198501 OCCN(CCO)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(4.45,.01,;4.05,1.5,;2.57,1.89,;2.17,3.38,;3.26,4.47,;4.74,4.07,;5.83,5.16,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,)|
BDBM198502 CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:16.19,wD:13.12,8.7,(8.52,5.04,;7.19,4.27,;7.19,2.73,;8.52,3.5,;5.85,5.04,;4.52,4.27,;4.52,2.73,;3.19,5.04,;1.85,4.27,;1.85,2.73,;.39,2.26,;-.52,3.5,;-2.01,3.9,;-3.09,2.81,;-4.58,3.21,;-5.67,2.12,;-5.27,.63,;-3.79,.24,;-2.7,1.32,;-6.36,-.46,;-7.89,-.29,;-8.52,-1.7,;-7.38,-2.73,;-7.38,-4.27,;-6.04,-5.04,;-4.71,-4.27,;-3.24,-4.75,;-2.34,-3.5,;-3.24,-2.26,;-4.71,-2.73,;-6.04,-1.96,;.39,4.75,)|
BDBM198503 N#CCCN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:9.12,wD:6.5,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,;2.02,1.35,;.93,.26,;1.33,-1.23,;2.82,-1.62,;3.91,-.54,;3.51,.95,)|
BDBM198504 N#C[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:10.13,wD:7.6,2.1,(6.52,5.43,;5.19,4.66,;3.85,3.89,;3.85,2.35,;2.39,1.87,;1.48,3.12,;-.01,3.52,;-1.09,2.43,;-2.58,2.83,;-3.67,1.74,;-3.27,.25,;-1.78,-.15,;-.7,.94,;-4.36,-.84,;-5.89,-.68,;-6.52,-2.09,;-5.37,-3.12,;-5.37,-4.66,;-4.04,-5.43,;-2.71,-4.66,;-1.24,-5.13,;-.34,-3.89,;-1.24,-2.64,;-2.71,-3.12,;-4.04,-2.35,;2.39,4.36,)|
BDBM198505 CN(CCC#N)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.02,1.35,;1.62,2.84,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
BDBM198574 NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198575 O=C(CC#N)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:10.13,wD:7.6,(2.31,5.41,;2.71,3.93,;4.2,3.53,;5.29,4.62,;6.38,5.71,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
BDBM198576 FC(F)(F)CC(=O)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(6.58,4.02,;5.09,4.42,;4.69,5.91,;6.18,5.51,;4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-2.64,2.35,;-3.73,1.26,;-3.33,-.23,;-1.84,-.63,;-.75,.46,;-4.42,-1.32,;-5.95,-1.16,;-6.58,-2.56,;-5.43,-3.6,;-5.43,-5.14,;-4.1,-5.91,;-2.77,-5.14,;-1.3,-5.61,;-.4,-4.37,;-1.3,-3.12,;-2.77,-3.6,;-4.1,-2.83,)|
BDBM198577 Cc1c(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c(Cl)nn1CC(F)(F)F
BDBM198578 N#Cc1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198579 N#Cc1ccc(cc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198506 OC12CC3CC(C1)C(NC[C@H]1CC[C@@H](CC1)c1nnn4cnc5[nH]ccc5c14)C(C3)C2 |r,wU:13.17,wD:10.10,TLB:8:7:4:1.2.6,0:1:4:7.28.29,THB:8:7:1.30.6:4.3.29,2:1:7:4.3.29,2:3:7:1.30.6,30:1:4:7.28.29,30:28:4:1.2.6,(7.04,3.9,;5.55,4.3,;5.55,5.84,;4.22,6.61,;2.89,5.84,;2.89,4.3,;4.22,3.53,;2.05,3.02,;.96,1.93,;-.52,2.33,;-1.61,1.24,;-3.1,1.64,;-4.19,.55,;-3.79,-.93,;-2.3,-1.33,;-1.21,-.24,;-4.88,-2.02,;-6.41,-1.86,;-7.04,-3.27,;-5.89,-4.3,;-5.89,-5.84,;-4.56,-6.61,;-3.22,-5.84,;-1.76,-6.32,;-.85,-5.07,;-1.76,-3.82,;-3.22,-4.3,;-4.56,-3.53,;3.45,3.04,;3.47,5.44,;4.65,2.38,)|
BDBM198508 O[C@H]1CC[C@@H](CC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.16,4.7,wD:9.9,1.0,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;4.4,2.78,;5.49,3.87,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,)|
BDBM198509 OCCN(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)C1CCCCC1 |r,wU:8.11,wD:5.4,(5.83,5.16,;4.74,4.07,;3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-1.9,3.09,;-2.98,2,;-2.59,.51,;-1.1,.12,;-.01,1.2,;-3.68,-.58,;-5.21,-.41,;-5.83,-1.82,;-4.69,-2.85,;-4.69,-4.39,;-3.36,-5.16,;-2.02,-4.39,;-.56,-4.87,;.35,-3.62,;-.56,-2.38,;-2.02,-2.85,;-3.36,-2.08,;2.57,1.89,;1.48,.81,;1.88,-.68,;3.36,-1.08,;4.45,.01,;4.05,1.5,)|
BDBM198580 Clc1c[nH]c2ncn3nnc(C4CCN(Cc5ccc(cc5)C#N)CC4)c3c12
BDBM198581 O[C@H]1Cc2ccccc2[C@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wD:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|
BDBM198582 O[C@@H]1Cc2ccccc2[C@@H]1NC1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.11,1.0,(1.95,-.14,;2.72,1.19,;4.25,1.36,;4.57,2.86,;5.91,3.63,;5.91,5.17,;4.57,5.94,;3.24,5.17,;3.24,3.63,;2.09,2.6,;.61,3,;-.48,1.91,;-.08,.42,;-1.17,-.67,;-2.66,-.27,;-3.06,1.22,;-1.97,2.31,;-3.75,-1.36,;-5.28,-1.19,;-5.91,-2.6,;-4.76,-3.63,;-4.76,-5.17,;-3.43,-5.94,;-2.09,-5.17,;-.63,-5.65,;.28,-4.4,;-.63,-3.16,;-2.09,-3.63,;-3.43,-2.86,)|
BDBM198583 N#CCCN(CCC#N)C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(4.49,4.96,;3,5.36,;1.52,5.76,;.43,4.67,;.83,3.18,;2.31,2.78,;2.71,1.3,;4.2,.9,;5.69,.5,;-.26,2.09,;.14,.61,;-.95,-.48,;-2.44,-.08,;-2.84,1.4,;-1.75,2.49,;-3.53,-1.17,;-5.06,-1.01,;-5.69,-2.42,;-4.54,-3.45,;-4.54,-4.99,;-3.21,-5.76,;-1.88,-4.99,;-.41,-5.47,;.49,-4.22,;-.41,-2.97,;-1.88,-3.45,;-3.21,-2.68,)|
BDBM198584 Fc1ccc(N[C@H]2CC[C@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-.41,1.55,;-1.5,.46,;-2.98,.86,;-3.38,2.35,;-2.29,3.44,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198510 CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:16.19,8.7,wD:13.12,(8.52,5.04,;7.19,4.27,;7.19,2.73,;8.52,3.5,;5.85,5.04,;4.52,4.27,;4.52,2.73,;3.19,5.04,;1.85,4.27,;1.85,2.73,;.39,2.26,;-.52,3.5,;-2.01,3.9,;-3.09,2.81,;-4.58,3.21,;-5.67,2.12,;-5.27,.63,;-3.79,.24,;-2.7,1.32,;-6.36,-.46,;-7.89,-.29,;-8.52,-1.7,;-7.38,-2.73,;-7.38,-4.27,;-6.04,-5.04,;-4.71,-4.27,;-3.24,-4.75,;-2.34,-3.5,;-3.24,-2.26,;-4.71,-2.73,;-6.04,-1.96,;.39,4.75,)|
BDBM198511 Clc1ccc(cc1)C1(COC1)NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:16.21,wD:13.14,(7.52,2.17,;6.03,2.57,;4.94,1.48,;3.46,1.88,;3.06,3.37,;4.15,4.45,;5.63,4.06,;1.57,3.76,;2.34,5.1,;1.01,5.87,;.24,4.53,;.48,2.68,;-1.01,3.07,;-2.1,1.99,;-3.58,2.38,;-4.67,1.29,;-4.27,-.19,;-2.79,-.59,;-1.7,.5,;-5.36,-1.28,;-6.89,-1.12,;-7.52,-2.53,;-6.38,-3.56,;-6.38,-5.1,;-5.04,-5.87,;-3.71,-5.1,;-2.24,-5.57,;-1.34,-4.33,;-2.24,-3.08,;-3.71,-3.56,;-5.04,-2.79,)|
BDBM198512 OC1(CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(Cl)c(c1)C(F)(F)F |r,wU:9.12,wD:6.5,(3.5,4.02,;2.41,2.93,;1.32,1.84,;-.17,2.24,;-.57,3.73,;-2.05,4.13,;-3.14,3.04,;-4.63,3.44,;-5.72,2.35,;-5.32,.86,;-3.83,.46,;-2.74,1.55,;-6.41,-.23,;-7.94,-.07,;-8.57,-1.48,;-7.42,-2.51,;-7.42,-4.05,;-6.09,-4.82,;-4.76,-4.05,;-3.29,-4.52,;-2.39,-3.28,;-3.29,-2.03,;-4.76,-2.51,;-6.09,-1.74,;.52,4.82,;2.01,4.42,;3.18,1.6,;2.41,.26,;3.18,-1.07,;4.72,-1.07,;5.49,-2.4,;5.49,.26,;4.72,1.6,;7.03,.26,;7.8,-1.07,;7.8,1.6,;8.57,.26,)|
BDBM198513 N#CC1(CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1)c1ccccc1 |r,wU:10.13,wD:7.6,(6.13,4.96,;5.04,3.87,;3.95,2.78,;2.86,1.7,;1.37,2.09,;.97,3.58,;-.51,3.98,;-1.6,2.89,;-3.09,3.29,;-4.18,2.2,;-3.78,.71,;-2.29,.31,;-1.2,1.4,;-4.87,-.38,;-6.4,-.21,;-7.03,-1.62,;-5.88,-2.65,;-5.88,-4.19,;-4.55,-4.96,;-3.22,-4.19,;-1.75,-4.67,;-.85,-3.42,;-1.75,-2.18,;-3.22,-2.65,;-4.55,-1.88,;2.06,4.67,;3.55,4.27,;4.72,1.45,;3.95,.12,;4.72,-1.22,;6.26,-1.22,;7.03,.12,;6.26,1.45,)|
BDBM198585 Fc1ccc(N[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:9.12,wD:6.5,(6.23,2.53,;4.74,2.93,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198586 FC(F)(Br)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;.53,.81,;-.55,-.28,;-2.04,.12,;-2.44,1.6,;-1.35,2.69,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198587 FC(F)(Br)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(5.29,3.67,;3.8,4.07,;3.4,5.56,;4.89,5.16,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198588 FC(F)(F)C(F)(F)CN[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-.01,.26,;-1.1,-.83,;-2.59,-.43,;-2.98,1.06,;-1.9,2.15,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|
BDBM198589 FC(F)(F)C(F)(F)CN[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:12.15,wD:9.8,(3.95,6.1,;4.35,4.62,;5.83,4.22,;5.43,5.71,;3.26,3.53,;4.74,3.13,;2.86,5.02,;2.17,2.44,;.68,2.84,;-.41,1.75,;-1.9,2.15,;-2.98,1.06,;-2.59,-.43,;-1.1,-.83,;-.01,.26,;-3.68,-1.52,;-5.21,-1.36,;-5.83,-2.76,;-4.69,-3.79,;-4.69,-5.33,;-3.36,-6.1,;-2.02,-5.33,;-.56,-5.81,;.35,-4.56,;-.56,-3.32,;-2.02,-3.79,;-3.36,-3.02,)|
BDBM198252 CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:11.14,wD:8.7,(5.63,5.16,;4.55,4.07,;4.94,2.58,;6.03,3.67,;3.06,4.47,;1.97,3.38,;2.37,1.89,;.48,3.78,;-.61,2.69,;-2.1,3.09,;-3.18,2,;-2.79,.51,;-1.3,.12,;-.21,1.2,;-3.87,-.58,;-5.41,-.41,;-6.03,-1.82,;-4.89,-2.85,;-4.89,-4.39,;-3.55,-5.16,;-2.22,-4.39,;-.76,-4.87,;.15,-3.62,;-.76,-2.38,;-2.22,-2.85,;-3.55,-2.08,)|
BDBM198253 O=C(N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)OCc1ccccc1 |r,wU:6.9,wD:3.2,(1.97,2.24,;1.57,3.73,;.08,4.13,;-1.01,3.04,;-2.49,3.44,;-3.58,2.35,;-3.18,.86,;-1.7,.46,;-.61,1.55,;-4.27,-.23,;-5.8,-.07,;-6.43,-1.48,;-5.29,-2.51,;-5.29,-4.05,;-3.95,-4.82,;-2.62,-4.05,;-1.15,-4.52,;-.25,-3.28,;-1.15,-2.03,;-2.62,-2.51,;-3.95,-1.74,;2.66,4.82,;4.15,4.42,;4.55,2.93,;3.46,1.84,;3.85,.35,;5.34,-.04,;6.43,1.04,;6.03,2.53,)|
BDBM198254 N[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
BDBM198255 COC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
BDBM198256 CO[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198258 C1CC2CC1CC2c1nnn2cnc3[nH]ccc3c12
BDBM198259 C1CCCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198260 C1CC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198262 FC(F)(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(4,3.33,;2.51,3.73,;2.11,5.21,;3.6,4.82,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
BDBM198264 CC(=O)SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198265 CC(=O)OC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(5.29,3.67,;3.8,4.07,;3.4,5.56,;2.71,2.98,;1.22,3.38,;.14,2.29,;-1.35,2.69,;-2.44,1.6,;-2.04,.12,;-.55,-.28,;.53,.81,;-3.13,-.97,;-4.66,-.81,;-5.29,-2.22,;-4.14,-3.25,;-4.14,-4.79,;-2.81,-5.56,;-1.48,-4.79,;-.01,-5.27,;.89,-4.02,;-.01,-2.77,;-1.48,-3.25,;-2.81,-2.48,)|
BDBM198266 FC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198267 BrC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198268 ClC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198269 SC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198270 CS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:8.11,wD:5.4,(4.42,4.82,;3.33,3.73,;3.33,2.19,;4.67,2.96,;1.85,4.13,;.76,3.04,;-.73,3.44,;-1.82,2.35,;-1.42,.86,;.07,.46,;1.16,1.55,;-2.51,-.23,;-4.04,-.07,;-4.67,-1.48,;-3.52,-2.51,;-3.52,-4.05,;-2.19,-4.82,;-.86,-4.05,;.61,-4.52,;1.51,-3.28,;.61,-2.03,;-.86,-2.51,;-2.19,-1.74,)|
BDBM198271 O=C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:5.8,wD:2.1,(4,4.07,;2.51,4.47,;1.42,3.38,;-.06,3.78,;-1.15,2.69,;-.75,1.2,;.73,.81,;1.82,1.89,;-1.84,.12,;-3.37,.28,;-4,-1.13,;-2.86,-2.16,;-2.86,-3.7,;-1.52,-4.47,;-.19,-3.7,;1.28,-4.18,;2.18,-2.93,;1.28,-1.69,;-.19,-2.16,;-1.52,-1.39,)|
BDBM198272 FC(F)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
BDBM198274 O[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,wD:1.0,(3.26,4.47,;2.17,3.38,;.68,3.78,;-.41,2.69,;-.01,1.2,;1.48,.81,;2.57,1.89,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
BDBM198275 O=C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198276 O[C@H]1CC[C@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:4.7,1.0,(3.26,4.47,;2.17,3.38,;2.57,1.89,;1.48,.81,;-.01,1.2,;-.41,2.69,;.68,3.78,;-1.1,.12,;-2.63,.28,;-3.26,-1.13,;-2.11,-2.16,;-2.11,-3.7,;-.78,-4.47,;.55,-3.7,;2.02,-4.18,;2.92,-2.93,;2.02,-1.69,;.55,-2.16,;-.78,-1.39,)|
BDBM198278 O=C(OCc1ccccc1)N1CCC(CC1)c1[nH]c(=S)n2cnc3[nH]ccc3c12
BDBM198279 FC(F)(F)c1ccc(CN2CCC(CC2)c2[nH]c(=S)n3cnc4[nH]ccc4c23)cc1
BDBM198281 O=S1(=O)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198282 N#CC1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.98,2.13,;5.49,2.53,;4,2.93,;2.91,1.84,;1.42,2.24,;1.03,3.73,;-.46,4.13,;-1.55,3.04,;-3.04,3.44,;-4.13,2.35,;-3.73,.86,;-2.24,.46,;-1.15,1.55,;-4.82,-.23,;-6.35,-.07,;-6.98,-1.48,;-5.83,-2.51,;-5.83,-4.05,;-4.5,-4.82,;-3.16,-4.05,;-1.7,-4.52,;-.79,-3.28,;-1.7,-2.03,;-3.16,-2.51,;-4.5,-1.74,;2.11,4.82,;3.6,4.42,)|
BDBM198283 N#CCCNC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:9.12,wD:6.5,(6.38,5.71,;5.29,4.62,;4.2,3.53,;2.71,3.93,;1.62,2.84,;.14,3.24,;-.95,2.15,;-2.44,2.55,;-3.53,1.46,;-3.13,-.03,;-1.64,-.43,;-.55,.66,;-4.22,-1.12,;-5.75,-.96,;-6.38,-2.37,;-5.23,-3.4,;-5.23,-4.94,;-3.9,-5.71,;-2.57,-4.94,;-1.1,-5.41,;-.2,-4.17,;-1.1,-2.92,;-2.57,-3.4,;-3.9,-2.63,)|
BDBM198284 C([C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)N1CCOCC1 |r,wU:4.7,wD:1.0,(1.03,4.13,;-.06,3.04,;-1.55,3.44,;-2.64,2.35,;-2.24,.86,;-.75,.46,;.34,1.55,;-3.33,-.23,;-4.86,-.07,;-5.49,-1.48,;-4.34,-2.51,;-4.34,-4.05,;-3.01,-4.82,;-1.68,-4.05,;-.21,-4.52,;.69,-3.28,;-.21,-2.03,;-1.68,-2.51,;-3.01,-1.74,;2.51,3.73,;2.91,2.24,;4.4,1.84,;5.49,2.93,;5.09,4.42,;3.6,4.82,)|
BDBM198286 N#Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:12.15,wD:9.8,(8.26,2.48,;6.78,2.88,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|
BDBM198193 Cc1nc(C2CCCCC2)c2c3cc[nH]c3ncn12
BDBM198287 F[C@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,1.0,wD:6.5,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
BDBM198288 F[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,1.0,(5.91,4.59,;4.58,3.82,;4.1,2.35,;2.56,2.35,;2.09,3.82,;.6,4.22,;-.49,3.13,;-1.98,3.53,;-3.07,2.44,;-2.67,.95,;-1.18,.55,;-.09,1.64,;-3.76,-.14,;-5.29,.02,;-5.91,-1.38,;-4.77,-2.41,;-4.77,-3.95,;-3.44,-4.72,;-2.1,-3.95,;-.64,-4.43,;.27,-3.18,;-.64,-1.94,;-2.1,-2.41,;-3.44,-1.64,;3.33,4.72,)|
BDBM198289 CC1(C)CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1 |r,wU:9.12,wD:6.5,(5.8,3.72,;4.31,3.32,;5.4,2.23,;2.98,2.55,;2.21,3.89,;.72,4.29,;-.37,3.2,;-1.86,3.6,;-2.95,2.51,;-2.55,1.02,;-1.06,.62,;.03,1.71,;-3.64,-.07,;-5.17,.09,;-5.8,-1.32,;-4.65,-2.35,;-4.65,-3.89,;-3.32,-4.66,;-1.98,-3.89,;-.52,-4.36,;.39,-3.12,;-.52,-1.87,;-1.98,-2.35,;-3.32,-1.58,;3.54,4.66,)|
BDBM198290 FC1(F)CCN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)CC1 |r,wU:10.13,wD:7.6,(6.23,3.33,;4.74,2.93,;5.83,1.84,;3.66,1.84,;2.17,2.24,;1.77,3.73,;.28,4.13,;-.81,3.04,;-2.29,3.44,;-3.38,2.35,;-2.98,.86,;-1.5,.46,;-.41,1.55,;-4.07,-.23,;-5.61,-.07,;-6.23,-1.48,;-5.09,-2.51,;-5.09,-4.05,;-3.75,-4.82,;-2.42,-4.05,;-.96,-4.52,;-.05,-3.28,;-.96,-2.03,;-2.42,-2.51,;-3.75,-1.74,;2.86,4.82,;4.35,4.42,)|
BDBM198291 FC(F)(F)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:14.17,wD:11.10,(8.26,2.48,;6.78,2.88,;7.17,1.39,;7.87,3.97,;5.29,3.28,;4.89,4.76,;3.4,5.16,;2.31,4.07,;.83,4.47,;-.26,3.38,;-1.75,3.78,;-2.84,2.69,;-4.33,3.09,;-5.42,2,;-5.02,.51,;-3.53,.12,;-2.44,1.2,;-6.11,-.58,;-7.64,-.41,;-8.26,-1.82,;-7.12,-2.85,;-7.12,-4.39,;-5.79,-5.16,;-4.45,-4.39,;-2.99,-4.87,;-2.08,-3.62,;-2.99,-2.38,;-4.45,-2.85,;-5.79,-2.08,;2.71,2.58,;4.2,2.19,)|
BDBM198194 C1CCC(CC1)c1ncn2cnc3[nH]ccc3c12
BDBM198195 O=C(OCc1ccccc1)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12
BDBM198196 O=C(CC#N)N1CCCC(C1)c1ncn2cnc3[nH]ccc3c12
BDBM198197 Cc1ccccc1-c1nnn2cnc3[nH]ccc3c12
BDBM198198 C1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198199 CC1CCCCC1c1nnn2cnc3[nH]ccc3c12
BDBM198200 S=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12
BDBM198292 FC(F)(F)c1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:13.16,wD:10.9,(6.92,5.31,;5.43,5.71,;5.04,7.19,;6.52,6.79,;4.35,4.62,;2.86,5.02,;1.77,3.93,;2.17,2.44,;1.08,1.35,;-.41,1.75,;-1.5,.66,;-2.98,1.06,;-4.07,-.03,;-3.68,-1.52,;-2.19,-1.92,;-1.1,-.83,;-4.76,-2.61,;-6.3,-2.45,;-6.92,-3.85,;-5.78,-4.88,;-5.78,-6.42,;-4.44,-7.19,;-3.11,-6.42,;-1.65,-6.9,;-.74,-5.65,;-1.65,-4.41,;-3.11,-4.88,;-4.44,-4.11,;3.66,2.04,;4.74,3.13,)|
BDBM198293 Fc1ccc(NC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1 |r,wU:10.13,wD:7.6,(6.18,6.45,;5.09,5.36,;3.6,5.76,;2.51,4.67,;2.91,3.18,;1.82,2.09,;.34,2.49,;-.75,1.4,;-2.24,1.8,;-3.33,.71,;-2.93,-.77,;-1.44,-1.17,;-.36,-.08,;-4.02,-1.86,;-5.55,-1.7,;-6.18,-3.11,;-5.03,-4.14,;-5.03,-5.68,;-3.7,-6.45,;-2.37,-5.68,;-.9,-6.16,;0,-4.91,;-.9,-3.66,;-2.37,-4.14,;-3.7,-3.37,;4.4,2.78,;5.49,3.87,)|
BDBM198201 O=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12
BDBM198203 CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)OC(C)(C)C
BDBM198204 CC1CCN(CC1c1nnn2cnc3[nH]ccc3c12)C(=O)CC#N
BDBM198206 O=C(OCc1ccccc1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198207 C1CNCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198208 C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
BDBM198209 FC(F)(F)CC(=O)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198210 C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1
BDBM198211 C(N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12)c1cncs1
BDBM198212 O=C(Nc1nncs1)N1CCCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM198213 Cc1cc(NC(=O)N2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)sn1
BDBM198214 N#Cc1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198215 FC(F)(F)c1ccc(CN2CCCC(C2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198216 CC(C)(C)OC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198217 FC(F)(F)CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198218 O=C(OCc1ccccc1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198219 C1CC(CCN1)c1nnn2cnc3[nH]ccc3c12
BDBM198220 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cccnc1
BDBM198221 FC(F)(F)CC(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198222 O=C(Nc1nncs1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198223 Cc1cc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sn1
BDBM198224 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1
BDBM198225 FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198226 N#Cc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198227 N#Cc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
BDBM198228 Cc1noc(C)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198229 FC(F)(F)Oc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198230 FC(F)(F)Sc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198231 FC(F)(F)c1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
BDBM198232 Fc1cc(ccc1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N
BDBM198233 Brc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198234 FC(F)(F)c1ccc(CCN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198235 Fc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198236 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1cncs1
BDBM198237 C(CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)Cc1ccccc1
BDBM198238 COc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1F
BDBM198239 FC(F)(F)c1cc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc(c1)C(F)(F)F
BDBM198240 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1nccs1
BDBM198241 Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
BDBM198243 C1CCC(C1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM198244 FC(F)(F)c1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cn1
BDBM198245 Fc1cc(cc(F)c1CN1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)C#N
BDBM198246 Clc1ccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)cc1
BDBM198247 Fc1cccc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
BDBM198248 FC(F)(F)C1CCC(CC1)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12 |(3.75,6.85,;4.15,5.36,;5.24,6.45,;5.63,4.96,;3.06,4.27,;3.46,2.78,;2.37,1.7,;.88,2.09,;.48,3.58,;1.57,4.67,;-.21,1.01,;.19,-.48,;-.9,-1.57,;-2.39,-1.17,;-2.79,.31,;-1.7,1.4,;-3.48,-2.26,;-5.01,-2.1,;-5.63,-3.51,;-4.49,-4.54,;-4.49,-6.08,;-3.16,-6.85,;-1.82,-6.08,;-.36,-6.55,;.55,-5.31,;-.36,-4.06,;-1.82,-4.54,;-3.16,-3.77,)|
BDBM198250 FC(F)(F)c1cccc(NC(=O)N2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)c1
BDBM198251 FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM274974 CC1(C)CCC(CC1)c1nnn2cnc3[nH]ccc3c12
BDBM275148 C(N1CCC(CC1)c1nnn2cnc3[nH]ccc3c12)c1nc2ccccc2s1
BDBM275149 Brc1nc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)sc1Br
BDBM275280 O=S(=O)(C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12)c1ccccc1 |r,wU:7.10,wD:4.3,(1.78,.91,;2.18,2.4,;3.27,1.31,;.69,2.8,;-.4,1.71,;-1.89,2.11,;-2.97,1.02,;-2.58,-.47,;-1.09,-.87,;0,.22,;-3.67,-1.56,;-5.2,-1.4,;-5.82,-2.8,;-4.68,-3.83,;-4.68,-5.37,;-3.35,-6.14,;-2.01,-5.37,;-.55,-5.85,;.36,-4.6,;-.55,-3.36,;-2.01,-3.83,;-3.35,-3.06,;3.27,3.55,;4.77,3.19,;5.82,4.31,;5.38,5.79,;3.89,6.14,;2.83,5.03,)|
BDBM275285 [N-]=[N+]=NC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:7.10,wD:4.3,(5.09,5.39,;4,4.3,;2.91,3.15,;1.42,3.55,;.34,2.46,;-1.15,2.86,;-2.24,1.77,;-1.84,.28,;-.36,-.12,;.73,.97,;-2.93,-.81,;-4.46,-.64,;-5.09,-2.05,;-3.95,-3.08,;-3.95,-4.62,;-2.61,-5.39,;-1.28,-4.62,;.19,-5.1,;1.09,-3.85,;.19,-2.61,;-1.28,-3.08,;-2.61,-2.31,)|
BDBM275349 O\N=C\[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4.55,4.82,;3.46,3.73,;1.97,4.13,;.88,3.04,;-.61,3.44,;-1.7,2.35,;-1.3,.86,;.19,.46,;1.28,1.55,;-2.39,-.23,;-3.92,-.07,;-4.55,-1.48,;-3.4,-2.51,;-3.4,-4.05,;-2.07,-4.82,;-.73,-4.05,;.73,-4.52,;1.64,-3.28,;.73,-2.03,;-.73,-2.51,;-2.07,-1.74,)|
BDBM275370 C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1n1ccc(=O)c2cnc3[nH]ccc3c12 |r|
BDBM275371 C[C@@H]1CCN(C)C[C@@H]1n1ccc(=O)c2cnc3[nH]ccc3c12 |r|
BDBM275374 FC(F)(F)c1ccc(CN2CCC(CC2)n2ccc(=O)c3cnc4[nH]ccc4c23)cc1
BDBM275375 C1CCC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM275377 OC(=O)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12 |r,wU:6.9,wD:3.2,(4,3.33,;2.51,3.73,;2.11,5.21,;1.42,2.64,;-.06,3.04,;-1.15,1.95,;-.75,.46,;.73,.06,;1.82,1.15,;-1.84,-.63,;-3.37,-.47,;-4,-1.87,;-2.86,-2.9,;-2.86,-4.44,;-1.52,-5.21,;-.19,-4.44,;1.28,-4.92,;2.18,-3.67,;1.28,-2.43,;-.19,-2.9,;-1.52,-2.13,)|
BDBM275378 O=C(OCc1ccccc1)N1CC(C1)c1nnn2cnc3[nH]ccc3c12
BDBM275379 O=c1[nH]c(=O)c2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:18.21,wD:15.17,(-4,2.69,;-4,1.15,;-5.33,.38,;-5.33,-1.15,;-6.67,-1.93,;-4,-1.93,;-4,-3.47,;-2.67,-4.23,;-1.33,-3.47,;.13,-3.94,;1.04,-2.69,;.13,-1.45,;-1.33,-1.93,;-2.67,-1.15,;-2.67,.38,;-1.33,1.15,;,.38,;1.33,1.15,;1.33,2.69,;2.67,3.47,;4,2.69,;5.33,3.47,;6.67,4.23,;,3.47,;-1.33,2.69,)|
BDBM275380 FC(F)(F)CN(C[C@H]1CC[C@@H](CC1)n1c2c3cc[nH]c3ncc2c(=O)[nH]c1=O)C(=O)CC#N |r,wU:10.13,wD:7.6,(7.34,3.85,;6,3.08,;6,1.54,;7.34,2.31,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-.54,-1.06,;.37,-2.31,;-.54,-3.56,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-6,.77,;-4.67,1.54,;-4.67,3.08,;3.33,1.54,;2,.77,;4.67,.77,;4.67,-.77,;4.67,-2.31,)|
BDBM275381 CN(C[C@H]1CC[C@@H](CC1)n1c2c3cc[nH]c3ncc2c(=O)[nH]c1=O)CC(F)(F)F |r,wU:6.9,wD:3.2,(3.33,1.54,;3.33,3.08,;2,3.85,;.67,3.08,;-.67,3.85,;-2,3.08,;-2,1.54,;-.67,.77,;.67,1.54,;-3.33,.77,;-3.33,-.77,;-2,-1.54,;-.54,-1.06,;.37,-2.31,;-.54,-3.56,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-6,.77,;-4.67,1.54,;-4.67,3.08,;4.67,3.85,;6,3.08,;7.34,3.85,;6,1.54,;7.34,2.31,)|
BDBM275383 Cn1c(=O)n(C2CCCCC2)c2c3cc[nH]c3ncc2c1=O
BDBM275384 FC(F)(F)Cn1c(=O)n(C2CCCCC2)c2c3cc[nH]c3ncc2c1=O