SMILES for ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1

CC(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.55,3.14,;7.22,3.91,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM587855

CC(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.54,3.14,;7.2,3.91,;7.2,5.45,;5.87,3.14,;4.54,3.91,;3.2,3.14,;1.87,3.91,;.54,3.14,;.54,1.6,;1.87,.83,;3.2,1.6,;-.8,.83,;-.8,-.71,;.54,-1.48,;-2.13,-1.48,;-3.46,-.71,;-4.8,-1.48,;-4.8,-3.02,;-3.46,-3.79,;-3.14,-5.29,;-1.61,-5.45,;-.99,-4.05,;-2.13,-3.02,;-6.13,-.71,;-7.57,-1.26,;-8.54,-.06,;-7.7,1.23,;-6.21,.83,)|

BDBM587994

CC(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.55,3.14,;7.22,3.91,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM50461149

CC(=O)c1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:13|

BDBM587859

CC(C)(C#N)c1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1

BDBM50086391

CC(C)(C)Nc1ncnc2ccc(cc12)-c1cncs1

BDBM588005

CC(C)(N[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1)C(F)F |r,wU:7.10,4.3,(6.98,2.05,;5.89,3.14,;5.49,1.66,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,;7.22,3.91,;8.55,3.14,;7.22,5.45,)|

BDBM588030

CC(C)(N[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:7.10,4.3,(3.68,4.3,;5.22,4.3,;4.45,5.63,;5.22,2.76,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-.11,-1.86,;1.22,-2.63,;-1.45,-2.63,;-2.78,-1.86,;-4.12,-2.63,;-4.12,-4.17,;-2.78,-4.94,;-2.46,-6.45,;-.93,-6.61,;-.3,-5.2,;-1.45,-4.17,;-5.45,-1.86,;-6.86,-2.49,;-7.89,-1.34,;-7.12,-.01,;-5.61,-.33,;6.55,5.07,;7.89,4.3,;6.55,6.61,;7.89,5.84,)|

BDBM588004

CC(C)(N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1)C(F)F |r,wU:7.10,wD:4.3,(6.98,2.05,;5.89,3.14,;5.49,1.66,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,;7.22,3.91,;8.55,3.14,;7.22,5.45,)|

BDBM588025

CC(C)(N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:7.10,wD:4.3,(6.9,2.16,;5.81,3.25,;5.41,1.76,;4.48,4.02,;3.14,3.25,;1.81,4.02,;.47,3.25,;.47,1.71,;1.81,.94,;3.14,1.71,;-.86,.94,;-.86,-.6,;.47,-1.37,;-2.19,-1.37,;-3.53,-.6,;-4.86,-1.37,;-4.86,-2.91,;-3.53,-3.68,;-3.21,-5.19,;-1.67,-5.35,;-1.05,-3.94,;-2.19,-2.91,;-6.19,-.6,;-7.6,-1.23,;-8.63,-.09,;-7.86,1.25,;-6.35,.93,;7.14,4.02,;8.48,3.25,;8.63,4.42,;6.37,5.35,)|

BDBM588026

CC(C)(N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)F |r,wU:7.10,wD:4.3,(6.98,2.05,;5.89,3.14,;5.49,1.66,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,;7.22,3.91,;8.55,3.14,;7.22,5.45,)|

BDBM588029

CC(C)(N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:7.10,wD:4.3,(3.68,4.3,;5.22,4.3,;4.45,5.63,;5.22,2.76,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-.11,-1.86,;1.22,-2.63,;-1.45,-2.63,;-2.78,-1.86,;-4.12,-2.63,;-4.12,-4.17,;-2.78,-4.94,;-2.46,-6.45,;-.93,-6.61,;-.3,-5.2,;-1.45,-4.17,;-5.45,-1.86,;-6.86,-2.49,;-7.89,-1.34,;-7.12,-.01,;-5.61,-.33,;6.55,5.07,;7.89,4.3,;6.55,6.61,;7.89,5.84,)|

BDBM588011

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.97,5.49,;5.94,3.98,;7.29,4.73,;7.24,3.09,;4.56,3.15,;3.21,3.9,;1.91,3.15,;1.89,1.61,;3.24,.83,;4.56,1.61,;.53,.78,;.51,-.7,;1.86,-1.56,;-.79,-1.48,;-2.15,-.75,;-3.47,-1.48,;-3.5,-3.04,;-2.15,-3.8,;-1.83,-5.3,;-.27,-5.49,;.35,-4.13,;-.85,-3.04,;-4.85,-.75,;-6.25,-1.33,;-7.29,-.21,;-6.51,1.09,;-5.01,.81,)|

BDBM587850

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.1,5.35,;5.87,4.02,;6.64,5.35,;7.2,3.25,;4.54,3.25,;3.2,4.02,;1.87,3.25,;1.87,1.71,;3.2,.94,;4.54,1.71,;.54,.94,;.54,-.6,;1.87,-1.37,;-.8,-1.37,;-2.13,-.6,;-3.46,-1.37,;-3.46,-2.91,;-2.13,-3.68,;-1.81,-5.19,;-.28,-5.35,;.35,-3.94,;-.8,-2.91,;-4.8,-.6,;-6.24,-1.16,;-7.2,.04,;-6.37,1.33,;-4.88,.93,)|

BDBM587889

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.3,wD:7.10,(5.89,5.45,;5.89,3.91,;7.22,4.68,;7.22,3.14,;4.55,3.14,;4.55,1.6,;3.22,.83,;1.89,1.6,;1.89,3.14,;3.22,3.91,;.55,.83,;.55,-.71,;1.89,-1.48,;-.78,-1.48,;-2.12,-.71,;-3.45,-1.48,;-3.45,-3.02,;-2.12,-3.79,;-1.8,-5.29,;-.26,-5.45,;.36,-4.05,;-.78,-3.02,;-4.78,-.71,;-6.19,-1.33,;-7.22,-.19,;-6.45,1.15,;-4.94,.83,)|

BDBM587961

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.89,5.45,;5.89,3.91,;7.22,4.68,;7.22,3.14,;4.55,3.14,;3.22,3.91,;1.89,3.14,;1.89,1.6,;3.22,.83,;4.55,1.6,;.55,.83,;.55,-.71,;1.89,-1.48,;-.78,-1.48,;-2.12,-.71,;-3.45,-1.48,;-3.45,-3.02,;-2.12,-3.79,;-1.8,-5.29,;-.26,-5.45,;.36,-4.05,;-.78,-3.02,;-4.78,-.71,;-6.19,-1.33,;-7.22,-.19,;-6.45,1.15,;-4.94,.83,)|

BDBM587932

CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(5.12,5.35,;5.89,4.02,;6.66,5.35,;7.22,3.25,;4.55,3.25,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|

BDBM588018

CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:6.8,wD:4.3,(5.57,5.34,;5.55,3.8,;6.9,2.94,;6.85,4.5,;4.16,2.96,;2.67,3.35,;2.28,1.89,;3.77,1.47,;.93,1.06,;.87,-.46,;2.26,-1.32,;-.4,-1.24,;-1.76,-.51,;-3.09,-1.24,;-3.12,-2.86,;-1.74,-3.61,;-1.45,-5.1,;.09,-5.34,;.74,-3.9,;-.46,-2.81,;-4.45,-.51,;-5.86,-1.08,;-6.9,.04,;-6.15,1.37,;-4.61,1.08,)|

BDBM588017

CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:6.8,wD:4.3,(5.58,5.34,;5.55,3.8,;6.91,2.94,;6.86,4.51,;4.17,2.97,;2.68,3.36,;2.29,1.89,;3.78,1.48,;.93,1.06,;.88,-.46,;2.26,-1.32,;-.4,-1.24,;-1.76,-.51,;-3.1,-1.24,;-3.12,-2.86,;-1.74,-3.62,;-1.45,-5.11,;.09,-5.34,;.74,-3.91,;-.46,-2.81,;-4.45,-.51,;-5.87,-1.08,;-6.91,.04,;-6.15,1.37,;-4.61,1.08,)|

BDBM587834

CC(C)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM50086392

CC(C)Nc1ncnc2ccc(cc12)-c1cncs1

BDBM587860

CC(C)[C@@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,3.3,(9.22,11.81,;7.89,11.04,;7.89,9.5,;6.55,11.81,;6.55,13.35,;5.22,11.04,;3.89,11.81,;2.55,11.04,;1.22,11.81,;-.11,11.04,;-.11,9.5,;1.22,8.73,;2.55,9.5,;-1.45,8.73,;-1.45,7.19,;-.11,6.42,;-2.78,6.42,;-4.12,7.19,;-5.45,6.42,;-5.45,4.88,;-4.12,4.11,;-3.8,2.6,;-2.26,2.44,;-1.64,3.85,;-2.78,4.88,;-6.78,7.19,;-8.19,6.56,;-9.22,7.71,;-8.45,9.04,;-6.94,8.72,)|

BDBM587873

CC(C)[C@@](C)(O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:11.14,3.3,wD:8.7,3.4,(9.22,12.28,;7.89,11.51,;7.89,9.97,;6.55,12.28,;7.32,13.61,;5.78,13.61,;5.22,11.51,;3.89,12.28,;2.55,11.51,;1.22,12.28,;-.11,11.51,;-.11,9.97,;1.22,9.2,;2.55,9.97,;-1.45,9.2,;-1.45,7.66,;-.11,6.89,;-2.78,6.89,;-4.12,7.66,;-5.45,6.89,;-5.45,5.35,;-4.12,4.58,;-3.8,3.07,;-2.26,2.91,;-1.64,4.32,;-2.78,5.35,;-6.78,7.66,;-8.19,7.03,;-9.22,8.18,;-8.45,9.51,;-6.94,9.19,)|

BDBM587861

CC(C)[C@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,3.3,wD:7.6,(9.22,11.81,;7.89,11.04,;7.89,9.5,;6.55,11.81,;6.55,13.35,;5.22,11.04,;3.89,11.81,;2.55,11.04,;1.22,11.81,;-.11,11.04,;-.11,9.5,;1.22,8.73,;2.55,9.5,;-1.45,8.73,;-1.45,7.19,;-.11,6.42,;-2.78,6.42,;-4.12,7.19,;-5.45,6.42,;-5.45,4.88,;-4.12,4.11,;-3.8,2.6,;-2.26,2.44,;-1.64,3.85,;-2.78,4.88,;-6.78,7.19,;-8.19,6.56,;-9.22,7.71,;-8.45,9.04,;-6.94,8.72,)|

BDBM587874

CC(C)[C@](C)(O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:11.14,3.4,wD:8.7,3.3,(9.22,12.28,;7.89,11.51,;7.89,9.97,;6.55,12.28,;7.32,13.61,;5.78,13.61,;5.22,11.51,;3.89,12.28,;2.55,11.51,;1.22,12.28,;-.11,11.51,;-.11,9.97,;1.22,9.2,;2.55,9.97,;-1.45,9.2,;-1.45,7.66,;-.11,6.89,;-2.78,6.89,;-4.12,7.66,;-5.45,6.89,;-5.45,5.35,;-4.12,4.58,;-3.8,3.07,;-2.26,2.91,;-1.64,4.32,;-2.78,5.35,;-6.78,7.66,;-8.19,7.03,;-9.22,8.18,;-8.45,9.51,;-6.94,9.19,)|

BDBM588013

CC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.57,4.71,;7.26,3.97,;7.24,5.43,;8.57,3.12,;5.9,3.17,;4.54,3.89,;3.21,3.17,;1.85,3.91,;.56,3.17,;.54,1.63,;1.9,.89,;3.21,1.63,;-.8,.81,;-.82,-.65,;.54,-1.5,;-2.13,-1.45,;-3.47,-.73,;-4.8,-1.45,;-4.8,-2.99,;-3.47,-3.76,;-3.13,-5.25,;-1.62,-5.43,;-1,-4.07,;-2.13,-2.99,;-6.16,-.73,;-7.49,-1.3,;-8.57,-.17,;-7.83,1.12,;-6.29,.83,)|

BDBM587944

CC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(6.45,14.78,;6.45,13.24,;7.99,13.24,;7.22,11.91,;5.12,12.47,;5.12,10.93,;3.78,10.16,;2.45,10.93,;1.12,10.16,;1.12,8.62,;2.45,7.85,;3.78,8.62,;-.22,7.85,;-.22,6.31,;1.12,5.54,;-1.55,5.54,;-2.89,6.31,;-4.22,5.54,;-4.22,4,;-2.89,3.23,;-2.57,1.72,;-1.03,1.56,;-.41,2.97,;-1.55,4,;-5.55,6.31,;-6.96,5.68,;-7.99,6.83,;-7.22,8.16,;-5.71,7.84,)|

BDBM587986

CC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.55,4.68,;7.22,3.91,;8.55,3.14,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM587997

CC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:9.12,wD:6.5,(7.14,5.45,;7.14,3.91,;8.48,3.14,;8.63,4.31,;5.81,3.14,;4.48,3.91,;3.14,3.14,;1.81,3.91,;.47,3.14,;.47,1.6,;1.81,.83,;3.14,1.6,;-.86,.83,;-.86,-.71,;.47,-1.48,;-2.19,-1.48,;-3.53,-.71,;-4.86,-1.48,;-4.86,-3.02,;-3.53,-3.79,;-3.21,-5.29,;-1.67,-5.45,;-1.05,-4.05,;-2.19,-3.02,;-6.19,-.71,;-7.6,-1.33,;-8.63,-.19,;-7.86,1.15,;-6.35,.83,)|

BDBM587995

CC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(7.14,5.45,;7.14,3.91,;8.48,3.14,;8.63,4.31,;5.81,3.14,;4.48,3.91,;3.14,3.14,;1.81,3.91,;.47,3.14,;.47,1.6,;1.81,.83,;3.14,1.6,;-.86,.83,;-.86,-.71,;.47,-1.48,;-2.19,-1.48,;-3.53,-.71,;-4.86,-1.48,;-4.86,-3.02,;-3.53,-3.79,;-3.21,-5.29,;-1.67,-5.45,;-1.05,-4.05,;-2.19,-3.02,;-6.19,-.71,;-7.6,-1.33,;-8.63,-.19,;-7.86,1.15,;-6.35,.83,)|

BDBM587945

CC(F)(F)CN[C@H]1CC[C@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,6.5,(6.45,14.78,;6.45,13.24,;7.99,13.24,;7.22,11.91,;5.12,12.47,;5.12,10.93,;3.78,10.16,;3.78,8.62,;2.45,7.85,;1.12,8.62,;1.12,10.16,;2.45,10.93,;-.22,7.85,;-.22,6.31,;1.12,5.54,;-1.55,5.54,;-2.89,6.31,;-4.22,5.54,;-4.22,4,;-2.89,3.23,;-2.57,1.72,;-1.03,1.56,;-.41,2.97,;-1.55,4,;-5.55,6.31,;-6.96,5.68,;-7.99,6.83,;-7.22,8.16,;-5.71,7.84,)|

BDBM50461155

CC1(C)N(Cc2c(N)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:13|

BDBM587885

CC1(CCOCC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM588010

CC1(CN(C1)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)C#N |r,wU:8.12,5.5,(7.51,11.79,;6.17,12.56,;5.79,11.07,;4.3,11.45,;4.68,12.94,;2.97,10.67,;1.61,11.41,;.33,10.69,;.3,9.15,;1.66,8.38,;2.97,9.15,;-1.06,8.33,;-1.09,6.84,;.3,5.99,;-2.37,6.07,;-3.7,6.84,;-5.04,6.07,;-5.04,4.53,;-3.7,3.76,;-3.38,2.25,;-1.85,2.09,;-1.23,3.5,;-2.37,4.53,;-6.4,6.79,;-7.76,6.2,;-8.84,7.33,;-8.09,8.64,;-6.55,8.35,;7.51,13.33,;8.84,14.1,)|

BDBM588009

CC1(CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)C#N |r,wU:8.12,wD:5.5,(7.51,12.02,;6.17,12.79,;5.79,11.3,;4.3,11.68,;4.68,13.17,;2.97,10.89,;1.61,11.64,;.33,10.92,;.3,9.38,;1.66,8.61,;2.97,9.38,;-1.06,8.55,;-1.09,7.06,;.3,6.22,;-2.37,6.29,;-3.7,7.06,;-5.04,6.29,;-5.04,4.75,;-3.7,3.98,;-3.38,2.48,;-1.85,2.32,;-1.23,3.72,;-2.37,4.75,;-6.4,7.01,;-7.76,6.42,;-8.84,7.55,;-8.09,8.86,;-6.55,8.58,;7.51,13.56,;8.84,14.33,)|

BDBM588007

CC1(F)CN(C1)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:9.13,6.6,(6.84,14.1,;6.84,12.56,;8.17,13.33,;6.46,11.07,;4.97,11.45,;5.35,12.94,;3.64,10.67,;2.28,11.41,;.99,10.69,;.97,9.15,;2.33,8.38,;3.64,9.15,;-.39,8.33,;-.42,6.84,;.97,5.99,;-1.7,6.07,;-3.04,6.84,;-4.37,6.07,;-4.37,4.53,;-3.04,3.76,;-2.72,2.25,;-1.18,2.09,;-.56,3.5,;-1.7,4.53,;-5.73,6.79,;-7.09,6.2,;-8.17,7.33,;-7.43,8.64,;-5.89,8.35,)|

BDBM588008

CC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:9.13,wD:6.6,(6.84,14.1,;6.84,12.56,;8.17,13.33,;6.46,11.07,;4.97,11.45,;5.35,12.94,;3.64,10.67,;2.28,11.41,;.99,10.69,;.97,9.15,;2.33,8.38,;3.64,9.15,;-.39,8.33,;-.42,6.84,;.97,5.99,;-1.7,6.07,;-3.04,6.84,;-4.37,6.07,;-4.37,4.53,;-3.04,3.76,;-2.72,2.25,;-1.18,2.09,;-.56,3.5,;-1.7,4.53,;-5.73,6.79,;-7.09,6.2,;-8.17,7.33,;-7.43,8.64,;-5.89,8.35,)|

BDBM50086324

CC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |(6.41,5.99,;5.34,5.38,;4.01,6.15,;2.68,5.39,;2.67,3.85,;4,3.07,;5.34,3.84,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086321

CC1CCCC(C1)Nc1ncnc2ccc(cc12)-c1cncs1

BDBM50086317

CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(10.41,5.51,;9.35,6.13,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086393

CCNc1ncnc2ccc(cc12)-c1cncs1

BDBM50461161

CC[C@@H]1N(Cc2cn[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461166

CC[C@H]1N(Cc2cn[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461165

CCc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:12|

BDBM50086333

CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.14,;6.69,7.37,;8.01,5.36,;9.08,5.97,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086435

CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.15,;6.68,7.69,;8.02,8.46,;8.02,10,;9.09,10.61,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50600836

CCn1ccc2c(cc(nc12)-c1cncs1)C(=O)N[C@H]1CC[C@@H](CC1)OCCOC |r,wU:19.21,wD:22.28,(-4.89,8.75,;-3.41,8.35,;-3.01,6.87,;-3.92,5.61,;-3.01,4.36,;-1.54,4.84,;-.2,4.06,;1.13,4.84,;1.13,6.39,;-.2,7.15,;-1.54,6.39,;2.46,7.16,;3.87,6.53,;4.89,7.67,;4.13,9.01,;2.62,8.69,;-.2,2.52,;1.13,1.75,;-1.54,1.75,;-1.54,.21,;-.21,-.56,;-.21,-2.1,;-1.55,-2.87,;-2.88,-2.09,;-2.88,-.56,;-1.55,-4.41,;-2.89,-5.17,;-2.89,-6.71,;-4.23,-7.47,;-4.23,-9.01,)|

BDBM587953

CN(C)C(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(9.22,3.91,;7.89,3.14,;7.89,1.6,;6.55,3.91,;6.55,5.45,;5.22,3.14,;3.89,3.91,;2.55,3.14,;1.22,3.91,;-.11,3.14,;-.11,1.6,;1.22,.83,;2.55,1.6,;-1.45,.83,;-1.45,-.71,;-.11,-1.48,;-2.78,-1.48,;-4.12,-.71,;-5.45,-1.48,;-5.45,-3.02,;-4.12,-3.79,;-3.8,-5.29,;-2.26,-5.45,;-1.64,-4.05,;-2.78,-3.02,;-6.78,-.71,;-8.19,-1.33,;-9.22,-.19,;-8.45,1.15,;-6.94,.83,)|

BDBM587896

CN(C)C(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(9.22,3.91,;7.89,3.14,;7.89,1.6,;6.55,3.91,;6.55,5.45,;5.22,3.14,;3.89,3.91,;2.55,3.14,;1.22,3.91,;-.11,3.14,;-.11,1.6,;1.22,.83,;2.55,1.6,;-1.45,.83,;-1.45,-.71,;-.11,-1.48,;-2.78,-1.48,;-4.12,-.71,;-5.45,-1.48,;-5.45,-3.02,;-4.12,-3.79,;-3.8,-5.29,;-2.26,-5.45,;-1.64,-4.05,;-2.78,-3.02,;-6.78,-.71,;-8.19,-1.33,;-9.22,-.19,;-8.45,1.15,;-6.94,.83,)|

BDBM587952

CN(C)C(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(9.22,3.91,;7.89,3.14,;7.89,1.6,;6.55,3.91,;6.55,5.45,;5.22,3.14,;3.89,3.91,;2.55,3.14,;1.22,3.91,;-.11,3.14,;-.11,1.6,;1.22,.83,;2.55,1.6,;-1.45,.83,;-1.45,-.71,;-.11,-1.48,;-2.78,-1.48,;-4.12,-.71,;-5.45,-1.48,;-5.45,-3.02,;-4.12,-3.79,;-3.8,-5.29,;-2.26,-5.45,;-1.64,-4.05,;-2.78,-3.02,;-6.78,-.71,;-8.19,-1.33,;-9.22,-.19,;-8.45,1.15,;-6.94,.83,)|

BDBM50111128

CN(C)C(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12

BDBM587940

CN(C)CC#Cc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1

BDBM587883

CN(C)CCOCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:12.15,wD:9.8,(11.22,3.14,;9.89,3.91,;9.89,5.45,;8.55,3.14,;7.22,3.91,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;-.78,3.91,;-2.12,3.14,;-2.12,1.6,;-.78,.83,;.55,1.6,;-3.45,.83,;-3.45,-.71,;-2.12,-1.48,;-4.78,-1.48,;-6.12,-.71,;-7.45,-1.48,;-7.45,-3.02,;-6.12,-3.79,;-5.8,-5.29,;-4.26,-5.45,;-3.64,-4.05,;-4.78,-3.02,;-8.78,-.71,;-10.19,-1.33,;-11.22,-.19,;-10.45,1.15,;-8.94,.83,)|

BDBM587812

CN(C)CCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(9.22,4.68,;7.89,3.91,;7.89,2.37,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587974

CN(C)CCOc1ccc(NC(=O)c2nc(cc3cn[nH]c23)-n2ccnc2)cn1

BDBM587879

CN(C)CCOc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)nc1

BDBM587901

CN(C)CCOc1ccc(NC(=O)c2nc(nc3ccsc23)-n2ccnc2)cn1

BDBM587854

CN(CC(F)(F)F)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,7.6,(4.54,12.92,;4.54,11.38,;5.87,10.61,;7.2,11.38,;8.54,12.15,;7.97,10.05,;6.43,12.72,;3.2,10.61,;1.87,11.38,;.54,10.61,;.54,9.07,;1.87,8.3,;3.2,9.07,;-.8,8.3,;-.8,6.76,;.54,5.99,;-2.13,5.99,;-3.46,6.76,;-4.8,5.99,;-4.8,4.45,;-3.46,3.68,;-3.14,2.18,;-1.61,2.02,;-.99,3.42,;-2.13,4.45,;-6.13,6.76,;-7.57,6.21,;-8.54,7.41,;-7.7,8.7,;-6.21,8.3,)|

BDBM587969

CN(CC(F)(F)F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(5.22,4.3,;5.22,2.76,;6.55,1.99,;7.89,2.76,;9.22,3.53,;8.66,1.43,;7.12,4.09,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-1.45,.45,;-1.45,1.99,;-2.78,-.32,;-4.12,.45,;-5.45,-.32,;-5.45,-1.86,;-4.12,-2.63,;-3.8,-4.14,;-2.26,-4.3,;-1.64,-2.89,;-2.78,-1.86,;-6.78,.45,;-8.19,-.18,;-9.22,.97,;-8.45,2.3,;-6.94,1.98,)|

BDBM587853

CN(CC(F)(F)F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(4.54,12.92,;4.54,11.38,;5.87,10.61,;7.2,11.38,;8.54,12.15,;7.97,10.05,;6.43,12.72,;3.2,10.61,;1.87,11.38,;.54,10.61,;.54,9.07,;1.87,8.3,;3.2,9.07,;-.8,8.3,;-.8,6.76,;.54,5.99,;-2.13,5.99,;-3.46,6.76,;-4.8,5.99,;-4.8,4.45,;-3.46,3.68,;-3.14,2.18,;-1.61,2.02,;-.99,3.42,;-2.13,4.45,;-6.13,6.76,;-7.57,6.21,;-8.54,7.41,;-7.7,8.7,;-6.21,8.3,)|

BDBM587999

CN(CC(F)(F)F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(5.22,4.3,;5.22,2.76,;6.55,1.99,;7.89,2.76,;9.22,3.53,;8.66,1.43,;7.12,4.09,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-1.45,.45,;-1.45,1.99,;-2.78,-.32,;-4.12,.45,;-5.45,-.32,;-5.45,-1.86,;-4.12,-2.63,;-3.8,-4.14,;-2.26,-4.3,;-1.64,-2.89,;-2.78,-1.86,;-6.78,.45,;-8.19,-.18,;-9.22,.97,;-8.45,2.3,;-6.94,1.98,)|

BDBM587852

CN(CCC(F)(F)F)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:11.14,8.7,(3.87,12.79,;3.87,11.25,;5.2,10.48,;5.2,8.94,;6.54,8.17,;7.87,7.4,;5.77,6.84,;7.31,9.51,;2.54,10.48,;1.2,11.25,;-.13,10.48,;-.13,8.94,;1.2,8.17,;2.54,8.94,;-1.46,8.17,;-1.46,6.63,;-.13,5.86,;-2.8,5.86,;-4.13,6.63,;-5.47,5.86,;-5.47,4.32,;-4.13,3.55,;-3.81,2.05,;-2.28,1.89,;-1.65,3.29,;-2.8,4.32,;-6.8,6.63,;-8.24,6.08,;-9.21,7.28,;-8.37,8.57,;-6.88,8.17,)|

BDBM587851

CN(CCC(F)(F)F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:11.14,wD:8.7,(3.87,12.79,;3.87,11.25,;5.2,10.48,;5.2,8.94,;6.54,8.17,;7.87,7.4,;5.77,6.84,;7.31,9.51,;2.54,10.48,;1.2,11.25,;-.13,10.48,;-.13,8.94,;1.2,8.17,;2.54,8.94,;-1.46,8.17,;-1.46,6.63,;-.13,5.86,;-2.8,5.86,;-4.13,6.63,;-5.47,5.86,;-5.47,4.32,;-4.13,3.55,;-3.81,2.05,;-2.28,1.89,;-1.65,3.29,;-2.8,4.32,;-6.8,6.63,;-8.24,6.08,;-9.21,7.28,;-8.37,8.57,;-6.88,8.17,)|

BDBM50111139

CN(Cc1c(Cl)cccc1Cl)c1cc(C)nc2c(cccc12)C(N)=O

BDBM50461135

CN(Cc1ccn[nH]1)c1nc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM587814

CN1CCC(C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587800

CN1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM50111144

CN1CCC(CNc2cc(C)nc3c(cccc23)C(N)=O)CC1

BDBM587904

CN1CCN(CC1)c1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM587820

CNC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(9.22,3.91,;7.89,3.14,;6.55,3.91,;6.55,5.45,;5.22,3.14,;3.89,3.91,;2.55,3.14,;1.22,3.91,;-.11,3.14,;-.11,1.6,;1.22,.83,;2.55,1.6,;-1.45,.83,;-1.45,-.71,;-.11,-1.48,;-2.78,-1.48,;-4.12,-.71,;-5.45,-1.48,;-5.45,-3.02,;-4.12,-3.79,;-3.8,-5.29,;-2.26,-5.45,;-1.64,-4.05,;-2.78,-3.02,;-6.78,-.71,;-8.19,-1.33,;-9.22,-.19,;-8.45,1.15,;-6.94,.83,)|

BDBM587950

CNC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.61,3.94,;7.25,4.71,;5.89,4.01,;5.89,2.37,;4.53,4.73,;3.19,3.96,;1.86,4.73,;.55,3.96,;.53,2.42,;1.89,1.65,;3.19,2.42,;-.83,1.6,;-.86,.12,;.53,-.73,;-2.14,-.68,;-3.5,.04,;-4.84,-.68,;-4.84,-2.24,;-3.48,-3.01,;-3.17,-4.53,;-1.63,-4.73,;-1.01,-3.32,;-2.17,-2.24,;-6.17,.04,;-7.55,-.53,;-8.61,.6,;-7.86,1.91,;-6.32,1.63,)|

BDBM587968

CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.89,3.91,;6.55,3.14,;5.22,3.91,;5.22,5.45,;3.89,3.14,;2.55,3.91,;1.22,3.14,;1.22,1.6,;2.55,.83,;3.89,1.6,;-.11,.83,;-.11,-.71,;1.22,-1.48,;-1.45,-1.48,;-2.78,-.71,;-4.12,-1.48,;-4.12,-3.02,;-2.78,-3.79,;-2.46,-5.29,;-.93,-5.45,;-.3,-4.05,;-1.45,-3.02,;-5.45,-.71,;-6.86,-1.33,;-7.89,-.19,;-7.12,1.15,;-5.61,.83,)|

BDBM587920

CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.89,3.91,;6.55,3.14,;5.22,3.91,;5.22,5.45,;3.89,3.14,;2.55,3.91,;1.22,3.14,;1.22,1.6,;2.55,.83,;3.89,1.6,;-.11,.83,;-.11,-.71,;1.22,-1.48,;-1.45,-1.48,;-2.78,-.71,;-4.12,-1.48,;-4.12,-3.02,;-2.78,-3.79,;-2.46,-5.29,;-.93,-5.45,;-.3,-4.05,;-1.45,-3.02,;-5.45,-.71,;-6.86,-1.33,;-7.89,-.19,;-7.12,1.15,;-5.61,.83,)|

BDBM587993

CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.89,3.91,;6.55,3.14,;5.22,3.91,;5.22,5.45,;3.89,3.14,;2.55,3.91,;1.22,3.14,;1.22,1.6,;2.55,.83,;3.89,1.6,;-.11,.83,;-.11,-.71,;1.22,-1.48,;-1.45,-1.48,;-2.78,-.71,;-4.12,-1.48,;-4.12,-3.02,;-2.78,-3.79,;-2.46,-5.29,;-.93,-5.45,;-.3,-4.05,;-1.45,-3.02,;-5.45,-.71,;-6.86,-1.33,;-7.89,-.19,;-7.12,1.15,;-5.61,.83,)|

BDBM50086336

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086337

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086334

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086335

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086343

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(C)cc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086347

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(C)nc2c(cc(cc12)-c1cncs1)C(F)(F)F |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,;-1.32,-3.08,;-.25,-3.69,;-2.39,-3.7,;-1.32,-4.31,)|

BDBM50086346

CNC(=O)[C@H]1CC[C@@H](CC1)Nc1nc(nc2c(C)cc(cc12)-c1cncs1)C(F)(F)F |r,wU:4.3,wD:7.10,(9.08,5.97,;8.01,5.36,;6.68,6.14,;6.69,7.37,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,;4,-1.54,;5.06,-.92,;4,-2.77,;5.06,-2.16,)|

BDBM50600807

CNC(=O)c1c[nH]c2c(cc(cc12)-n1ccnc1)C(=O)N[C@H]1CC[C@@H](CC1)OCCOC |r,wU:21.23,wD:24.30,(-5.19,9.57,;-4.71,8.1,;-3.21,7.78,;-2.12,8.87,;-2.73,6.32,;-3.64,5.07,;-2.73,3.81,;-1.26,4.29,;.08,3.51,;1.41,4.29,;1.41,5.84,;.08,6.61,;-1.26,5.84,;2.75,6.61,;4.15,5.99,;5.19,7.13,;4.42,8.47,;2.91,8.15,;.08,1.97,;1.41,1.2,;-1.25,1.2,;-1.25,-.34,;.09,-1.11,;.09,-2.65,;-1.24,-3.42,;-2.58,-2.65,;-2.58,-1.11,;-1.24,-4.96,;.1,-5.73,;.1,-7.27,;1.45,-8.03,;1.45,-9.57,)|

BDBM50111129

CNC(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12

BDBM587810

CNC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587811

CNCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM50111127

COC(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12

BDBM587937

COC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(7.89,3.91,;6.55,3.14,;5.22,3.91,;5.22,5.45,;6.55,4.68,;3.89,3.14,;2.55,3.91,;1.22,3.14,;1.22,1.6,;2.55,.83,;3.89,1.6,;-.11,.83,;-.11,-.71,;1.22,-1.48,;-1.45,-1.48,;-2.78,-.71,;-4.12,-1.48,;-4.12,-3.02,;-2.78,-3.79,;-2.46,-5.29,;-.93,-5.45,;-.3,-4.05,;-1.45,-3.02,;-5.45,-.71,;-6.86,-1.33,;-7.89,-.19,;-7.12,1.15,;-5.61,.83,)|

BDBM50600839

COCCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:9.12,wD:6.5,(-5.23,-9.39,;-3.9,-8.62,;-3.9,-7.09,;-2.56,-6.32,;-2.56,-4.79,;-1.21,-4.02,;-1.21,-2.48,;.13,-1.72,;.13,-.17,;-1.2,.6,;-2.54,-.17,;-2.54,-1.71,;-1.2,2.14,;.13,2.9,;1.46,2.14,;.13,4.44,;1.47,5.22,;1.47,6.77,;.13,7.54,;-1.2,6.77,;-2.68,7.25,;-3.59,6,;-2.68,4.74,;-1.2,5.22,;2.8,7.54,;4.2,6.91,;5.23,8.06,;4.46,9.39,;2.95,9.07,)|

BDBM587797

COCCN(C)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(9.22,3.91,;7.89,3.14,;6.55,3.91,;5.22,3.14,;3.89,3.91,;3.89,5.45,;2.55,3.14,;1.22,3.91,;-.11,3.14,;-.11,1.6,;1.22,.83,;2.55,1.6,;-1.45,.83,;-1.45,-.71,;-.11,-1.48,;-2.78,-1.48,;-4.12,-.71,;-5.45,-1.48,;-5.45,-3.02,;-4.12,-3.79,;-3.8,-5.29,;-2.26,-5.45,;-1.64,-4.05,;-2.78,-3.02,;-6.78,-.71,;-8.19,-1.33,;-9.22,-.19,;-8.45,1.15,;-6.94,.83,)|

BDBM587793

COCCN1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587929

COCCN1CCc2cc(NC(=O)c3nc(nc4cc[nH]c34)-n3ccnc3)ccc2C1

BDBM587913

COCCN1CCc2ccc(NC(=O)c3nc(nc4cc[nH]c34)-n3ccnc3)cc2C1

BDBM587796

COCCN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM50086389

COCCNc1ncnc2ccc(cc12)-c1cncs1

BDBM50600841

COCCOC12CCC(CC1)(C2)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1

BDBM587870

COCCO[C@@H]1CCC[C@@H](C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM50600838

COCCO[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:5.4,8.11,(-4.56,-9.01,;-4.56,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;-.53,7.15,;-1.87,6.39,;-3.34,6.87,;-4.25,5.61,;-3.34,4.36,;-1.87,4.84,;2.13,7.16,;3.53,6.53,;4.56,7.67,;3.8,9.01,;2.28,8.69,)|

BDBM587809

COCCO[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587869

COCCO[C@H]1CCC[C@@H](C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM50600842

COCCO[C@H]1CC[C@@H](C1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r|

BDBM50600837

COCCO[C@H]1CC[C@@H](CC1)N(C)C(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.57,-9.01,;-4.57,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-3.2,2.52,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;-.53,7.15,;-1.87,6.39,;-3.34,6.87,;-4.25,5.62,;-3.34,4.36,;-1.87,4.84,;2.13,7.16,;3.54,6.53,;4.57,7.68,;3.8,9.01,;2.29,8.69,)|

BDBM50600828

COCCO[C@H]1CC[C@@H](CC1)NC(=O)C1=CC(=CC2NC(=O)NC12)c1cncs1 |r,wU:8.11,wD:5.4,c:17,t:15,(-3.95,-9.02,;-3.95,-7.48,;-2.61,-6.71,;-2.61,-5.17,;-1.27,-4.41,;-1.27,-2.87,;.07,-2.1,;.07,-.56,;-1.25,.21,;-2.6,-.56,;-2.6,-2.09,;-1.25,1.75,;.08,2.52,;1.41,1.75,;.08,4.06,;1.41,4.84,;1.41,6.39,;.08,7.16,;-1.26,6.39,;-2.73,6.87,;-3.64,5.62,;-5.18,5.62,;-2.73,4.36,;-1.26,4.84,;2.75,7.16,;4.15,6.53,;5.18,7.68,;4.41,9.02,;2.9,8.69,)|

BDBM50600832

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(-c2cncs2)c(F)c2[nH]ccc12 |r,wU:8.11,wD:5.4,(-4.57,-9.01,;-4.57,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;2.13,7.16,;3.54,6.53,;4.57,7.68,;3.8,9.01,;2.29,8.69,;-.53,7.15,;-.53,8.69,;-1.87,6.39,;-3.34,6.87,;-4.25,5.62,;-3.34,4.36,;-1.87,4.84,)|

BDBM587769

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(c(F)c2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-6.82,-3.02,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM50580353

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(79.63,-28.03,;78.29,-27.25,;76.96,-28.02,;75.62,-27.25,;74.29,-28.02,;72.96,-27.24,;72.96,-25.7,;71.63,-24.93,;70.3,-25.7,;70.3,-27.24,;71.63,-28.01,;68.96,-24.94,;67.63,-25.71,;67.63,-27.25,;66.29,-24.95,;64.98,-25.72,;63.64,-24.96,;63.63,-23.42,;64.97,-22.64,;66.29,-23.41,;64.96,-21.1,;63.71,-20.2,;64.18,-18.73,;65.72,-18.73,;66.19,-20.19,;62.31,-25.75,;62.16,-27.28,;60.65,-27.62,;59.87,-26.29,;60.9,-25.13,)|

BDBM50580351

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.25,-27.1,;22.92,-26.32,;21.58,-27.09,;20.25,-26.32,;18.91,-27.09,;17.59,-26.31,;17.59,-24.77,;16.26,-24,;14.93,-24.77,;14.93,-26.31,;16.26,-27.08,;13.59,-24.01,;12.26,-24.78,;12.26,-26.32,;10.92,-24.02,;9.6,-24.79,;8.27,-24.04,;8.26,-22.49,;9.59,-21.71,;10.92,-22.48,;9.58,-20.17,;8.34,-19.27,;8.81,-17.8,;10.35,-17.8,;10.83,-19.26,;6.93,-24.82,;6.78,-26.35,;5.27,-26.69,;4.49,-25.35,;2.96,-25.2,;5.51,-24.2,)|

BDBM50580352

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-n1ccnc1 |r,wU:8.11,wD:5.4,(50.94,-27.34,;49.61,-26.56,;48.27,-27.33,;46.94,-26.56,;45.61,-27.33,;44.27,-26.55,;44.27,-25.01,;42.94,-24.24,;41.61,-25.01,;41.61,-26.55,;42.94,-27.32,;40.27,-24.25,;38.94,-25.02,;38.94,-26.56,;37.6,-24.26,;36.29,-25.03,;34.95,-24.28,;34.94,-22.73,;36.27,-21.95,;37.6,-22.72,;36.27,-20.41,;35.01,-19.51,;35.48,-18.04,;37.03,-18.04,;37.5,-19.5,;33.62,-25.06,;33.47,-26.59,;31.96,-26.93,;31.18,-25.6,;32.2,-24.44,)|

BDBM50600831

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2[nH]cc(C#N)c12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.57,-9.02,;-4.57,-7.48,;-3.23,-6.71,;-3.23,-5.18,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.54,2.52,;.8,1.75,;-.54,4.06,;.8,4.84,;.8,6.39,;-.54,7.16,;-1.87,6.39,;-3.35,6.87,;-4.26,5.62,;-3.35,4.36,;-3.74,2.88,;-4.14,1.39,;-1.87,4.84,;2.13,7.16,;3.54,6.53,;4.57,7.68,;3.8,9.02,;2.29,8.7,)|

BDBM50600829

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.56,-9.01,;-4.56,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;-.53,7.15,;-1.87,6.39,;-3.34,6.87,;-4.25,5.61,;-3.34,4.36,;-1.87,4.84,;2.13,7.16,;3.53,6.53,;4.56,7.67,;3.8,9.01,;2.28,8.69,)|

BDBM50600810

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(CO)c[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.2,-5.8,;7.86,-5.03,;6.53,-5.8,;5.19,-5.03,;3.86,-5.8,;2.53,-5.03,;2.53,-3.49,;1.19,-2.72,;-.14,-3.49,;-.14,-5.03,;1.19,-5.8,;-1.47,-2.72,;-1.47,-1.18,;-.14,-.41,;-2.81,-.41,;-2.81,1.13,;-4.14,1.89,;-5.47,1.13,;-5.47,-.41,;-6.62,-1.45,;-8.11,-1.05,;-9.2,-2.14,;-5.99,-2.85,;-4.46,-2.69,;-4.14,-1.18,;-4.14,3.44,;-5.39,4.34,;-4.91,5.8,;-3.37,5.8,;-2.89,4.34,)|

BDBM50600802

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(Cl)c[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(.67,-9.01,;.67,-7.47,;-.67,-6.71,;-.67,-5.17,;-2.01,-4.41,;-2.01,-2.87,;-.68,-2.09,;-.68,-.56,;-2.02,.21,;-3.35,-.56,;-3.35,-2.1,;-2.02,1.75,;-.69,2.52,;.64,1.75,;-.69,4.06,;.64,4.84,;.64,6.38,;-.69,7.15,;-2.03,6.39,;-3.5,6.86,;-3.98,8.33,;-4.41,5.61,;-3.5,4.36,;-2.03,4.84,;1.97,7.15,;3.38,6.53,;4.41,7.67,;3.64,9.01,;2.13,8.69,)|

BDBM50600801

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C#N)-n1ccnc1 |r,wU:8.11,wD:5.4,(.69,-9.41,;.69,-7.87,;-.65,-7.11,;-.65,-5.57,;-1.99,-4.8,;-1.99,-3.26,;-.66,-2.49,;-.66,-.95,;-2.01,-.18,;-3.33,-.95,;-3.33,-2.49,;-2.01,1.36,;-.67,2.13,;.66,1.36,;-.67,3.67,;.66,4.45,;.66,6,;-.67,6.77,;-2.01,6,;-3.48,6.48,;-4.39,5.23,;-3.48,3.97,;-2.01,4.45,;-3.96,7.94,;-4.43,9.41,;1.99,6.77,;3.4,6.15,;4.43,7.29,;3.66,8.62,;2.16,8.31,)|

BDBM50600808

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C(=O)N(C)C)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.21,-9.98,;1.21,-8.44,;-.13,-7.68,;-.13,-6.14,;-1.48,-5.38,;-1.48,-3.84,;-.15,-3.06,;-.15,-1.52,;-1.49,-.75,;-2.82,-1.52,;-2.82,-3.07,;-1.49,.79,;-.16,1.56,;1.17,.79,;-.16,3.1,;1.18,3.88,;1.18,5.43,;-.16,6.19,;-1.5,5.43,;-2.97,5.91,;-3.88,4.66,;-2.97,3.4,;-1.5,3.88,;-3.45,7.37,;-4.95,7.69,;-2.42,8.52,;-2.89,9.98,;-.91,8.2,;2.51,6.2,;3.92,5.58,;4.95,6.72,;4.18,8.05,;2.67,7.74,)|

BDBM50600806

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C(=O)OC)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.45,-9.57,;1.45,-8.03,;.1,-7.27,;.1,-5.73,;-1.24,-4.96,;-1.24,-3.42,;.09,-2.65,;.09,-1.11,;-1.25,-.34,;-2.58,-1.11,;-2.58,-2.65,;-1.25,1.2,;.08,1.97,;1.41,1.2,;.08,3.51,;1.41,4.29,;1.41,5.84,;.08,6.61,;-1.26,5.84,;-2.73,6.32,;-3.64,5.07,;-2.73,3.81,;-1.26,4.29,;-3.21,7.78,;-2.12,8.87,;-4.71,8.1,;-5.19,9.57,;2.75,6.61,;4.16,5.99,;5.19,7.13,;4.42,8.47,;2.91,8.15,)|

BDBM50600811

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C(C)O)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.2,-5.7,;7.87,-4.94,;6.54,-5.73,;5.2,-4.97,;3.87,-5.76,;2.54,-5.01,;2.51,-3.47,;1.18,-2.71,;-.16,-3.49,;-.14,-5.03,;1.2,-5.79,;-1.49,-2.74,;-1.51,-1.2,;-.18,-.42,;-2.84,-.44,;-2.87,1.11,;-4.21,1.87,;-5.54,1.09,;-5.53,-.45,;-6.68,-1.49,;-6.03,-2.91,;-4.49,-2.73,;-4.18,-1.21,;-8.18,-1.19,;-9.2,-2.34,;-8.67,.27,;-4.23,3.41,;-2.99,4.33,;-3.47,5.79,;-5.01,5.78,;-5.48,4.31,)|

BDBM50600804

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C(F)(F)F)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.21,-9.42,;1.21,-7.88,;-.13,-7.12,;-.13,-5.58,;-1.48,-4.81,;-1.48,-3.28,;-.15,-2.5,;-.15,-.96,;-1.49,-.19,;-2.82,-.96,;-2.82,-2.51,;-1.49,1.35,;-.16,2.12,;1.17,1.35,;-.16,3.66,;1.18,4.44,;1.18,5.99,;-.16,6.75,;-1.49,5.99,;-2.97,6.47,;-3.88,5.22,;-2.97,3.96,;-1.49,4.44,;-3.44,7.93,;-4.95,8.25,;-2.36,9.02,;-3.84,9.42,;2.51,6.76,;3.92,6.14,;4.95,7.28,;4.18,8.61,;2.67,8.3,)|

BDBM50600809

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)C(N)=O)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.21,-9.25,;1.21,-7.71,;-.14,-6.95,;-.14,-5.41,;-1.48,-4.64,;-1.48,-3.1,;-.15,-2.33,;-.15,-.79,;-1.49,-.02,;-2.82,-.79,;-2.82,-2.33,;-1.49,1.52,;-.16,2.29,;1.17,1.52,;-.16,3.83,;1.18,4.61,;1.18,6.16,;-.16,6.93,;-1.49,6.16,;-2.97,6.64,;-3.88,5.39,;-2.97,4.13,;-1.49,4.61,;-3.44,8.1,;-2.41,9.25,;-4.95,8.42,;2.51,6.93,;3.92,6.31,;4.95,7.45,;4.18,8.79,;2.67,8.47,)|

BDBM50600805

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2c(c[nH]c12)[N+]([O-])=O)-n1ccnc1 |r,wU:8.11,wD:5.4,(1.21,-9.21,;1.21,-7.68,;-.13,-6.91,;-.13,-5.37,;-1.48,-4.61,;-1.48,-3.07,;-.15,-2.3,;-.15,-.76,;-1.49,.01,;-2.82,-.76,;-2.82,-2.3,;-1.49,1.55,;-.16,2.32,;1.17,1.55,;-.16,3.85,;1.18,4.64,;1.18,6.18,;-.16,6.95,;-1.49,6.18,;-2.97,6.66,;-3.88,5.41,;-2.97,4.16,;-1.49,4.64,;-3.44,8.13,;-4.95,8.45,;-2.35,9.21,;2.51,6.95,;3.91,6.33,;4.95,7.47,;4.18,8.81,;2.67,8.49,)|

BDBM587785

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc(C)[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,5.35,;7.89,4.58,;6.55,5.35,;5.22,4.58,;3.89,5.35,;2.55,4.58,;1.22,5.35,;-.11,4.58,;-.11,3.04,;1.22,2.27,;2.55,3.04,;-1.45,2.27,;-1.45,.73,;-.11,-.04,;-2.78,-.04,;-4.12,.73,;-5.45,-.04,;-5.45,-1.58,;-4.12,-2.35,;-3.8,-3.86,;-2.26,-4.02,;-1.49,-5.35,;-1.64,-2.61,;-2.78,-1.58,;-6.78,.73,;-8.19,.1,;-9.22,1.25,;-8.45,2.58,;-6.94,2.26,)|

BDBM587748

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc(C)[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,5.35,;7.89,4.58,;6.55,5.35,;5.22,4.58,;3.89,5.35,;2.55,4.58,;1.22,5.35,;-.11,4.58,;-.11,3.04,;1.22,2.27,;2.55,3.04,;-1.45,2.27,;-1.45,.73,;-.11,-.04,;-2.78,-.04,;-4.12,.73,;-5.45,-.04,;-5.45,-1.58,;-4.12,-2.35,;-3.8,-3.86,;-2.26,-4.02,;-1.49,-5.35,;-1.64,-2.61,;-2.78,-1.58,;-6.78,.73,;-8.19,.1,;-9.22,1.25,;-8.45,2.58,;-6.94,2.26,)|

BDBM587758

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc(CN)[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,5.35,;7.89,4.58,;6.55,5.35,;5.22,4.58,;3.89,5.35,;2.55,4.58,;1.22,5.35,;-.11,4.58,;-.11,3.04,;1.22,2.27,;2.55,3.04,;-1.45,2.27,;-1.45,.73,;-.11,-.04,;-2.78,-.04,;-4.12,.73,;-5.45,-.04,;-5.45,-1.58,;-4.12,-2.35,;-3.8,-3.86,;-2.26,-4.02,;-1.49,-5.35,;.05,-5.35,;-1.64,-2.61,;-2.78,-1.58,;-6.78,.73,;-8.19,.1,;-9.22,1.25,;-8.45,2.58,;-6.94,2.26,)|

BDBM50600820

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1 |r,wU:8.11,wD:5.4,(-.56,-9.22,;-.56,-7.69,;.78,-6.92,;.78,-5.39,;2.12,-4.63,;2.12,-3.09,;3.46,-2.33,;3.46,-.79,;2.13,-.02,;.79,-.79,;.79,-2.32,;2.13,1.52,;.8,2.28,;-.53,1.52,;.8,3.82,;-.53,4.6,;-.53,6.14,;.8,6.9,;2.13,6.14,;3.6,6.62,;4.51,5.37,;3.6,4.12,;2.13,4.6,;-1.86,6.91,;-1.86,8.45,;-3.18,9.22,;-4.51,8.46,;-4.51,6.92,;-3.19,6.14,)|

BDBM50600821

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1ccccn1 |r,wU:8.11,wD:5.4,(-.56,-9.22,;-.56,-7.69,;.78,-6.92,;.78,-5.39,;2.12,-4.63,;2.12,-3.09,;3.46,-2.33,;3.46,-.79,;2.13,-.02,;.79,-.79,;.79,-2.32,;2.13,1.52,;.8,2.28,;-.53,1.52,;.8,3.82,;-.53,4.6,;-.53,6.14,;.8,6.9,;2.13,6.14,;3.6,6.62,;4.51,5.37,;3.6,4.12,;2.13,4.6,;-1.86,6.91,;-1.86,8.45,;-3.18,9.22,;-4.51,8.46,;-4.51,6.92,;-3.19,6.14,)|

BDBM50600822

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cccnc1 |r,wU:8.11,wD:5.4,(-.55,-9.21,;-.55,-7.67,;.79,-6.91,;.79,-5.38,;2.12,-4.62,;2.12,-3.09,;3.46,-2.32,;3.46,-.78,;2.14,-.02,;.8,-.78,;.8,-2.32,;2.14,1.51,;.81,2.28,;-.52,1.51,;.81,3.81,;-.52,4.59,;-.52,6.13,;.81,6.9,;2.14,6.13,;3.61,6.61,;4.52,5.36,;3.61,4.11,;2.14,4.59,;-1.84,6.9,;-1.84,8.43,;-3.17,9.21,;-4.52,8.44,;-4.52,6.9,;-3.18,6.13,)|

BDBM50600823

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cccnn1 |r,wU:8.11,wD:5.4,(-.55,-9.22,;-.55,-7.68,;.79,-6.92,;.79,-5.39,;2.13,-4.63,;2.13,-3.09,;3.47,-2.33,;3.47,-.78,;2.14,-.02,;.8,-.78,;.8,-2.32,;2.14,1.52,;.81,2.28,;-.52,1.52,;.81,3.82,;-.52,4.6,;-.52,6.14,;.81,6.9,;2.14,6.14,;3.61,6.62,;4.52,5.37,;3.61,4.12,;2.14,4.6,;-1.85,6.91,;-1.85,8.44,;-3.17,9.22,;-4.52,8.45,;-4.52,6.91,;-3.18,6.14,)|

BDBM50600815

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cn[nH]c1 |r,wU:8.11,wD:5.4,(-2.06,-9.01,;-2.06,-7.47,;-.72,-6.71,;-.72,-5.17,;.62,-4.41,;.62,-2.87,;1.97,-2.1,;1.97,-.56,;.64,.21,;-.7,-.56,;-.7,-2.1,;.64,1.75,;-.69,2.52,;-2.02,1.75,;-.69,4.05,;.64,4.84,;.64,6.38,;-.69,7.15,;-2.03,6.38,;-3.5,6.86,;-4.41,5.61,;-3.5,4.36,;-2.03,4.84,;1.97,7.15,;3.38,6.53,;4.41,7.68,;3.64,9.01,;2.13,8.68,)|

BDBM587745

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-6.94,1.6,;-8.45,1.92,;-9.22,.58,;-8.19,-.56,)|

BDBM50600816

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(-2.83,-9.01,;-2.83,-7.47,;-1.49,-6.71,;-1.49,-5.17,;-.14,-4.41,;-.14,-2.87,;1.2,-2.1,;1.2,-.56,;-.13,.21,;-1.47,-.56,;-1.47,-2.09,;-.13,1.75,;-1.46,2.52,;-2.79,1.75,;-1.46,4.06,;-.13,4.84,;-.13,6.38,;-1.46,7.15,;-2.8,6.39,;-4.27,6.86,;-5.18,5.61,;-4.27,4.36,;-2.8,4.84,;1.2,7.15,;1.36,8.69,;2.87,9.01,;3.64,7.67,;5.18,7.68,;2.61,6.53,)|

BDBM50600819

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1cscn1 |r,wU:8.11,wD:5.4,(.68,-9.01,;.68,-7.47,;-.67,-6.71,;-.67,-5.17,;-2.01,-4.41,;-2.01,-2.87,;-.68,-2.09,;-.68,-.56,;-2.02,.21,;-3.35,-.56,;-3.35,-2.1,;-2.02,1.75,;-.69,2.52,;.64,1.75,;-.69,4.06,;.64,4.84,;.64,6.39,;-.69,7.15,;-2.02,6.39,;-3.5,6.87,;-4.41,5.61,;-3.5,4.36,;-2.02,4.84,;1.98,7.16,;2.13,8.69,;3.64,9.01,;4.41,7.67,;3.38,6.53,)|

BDBM50600814

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1ncc[nH]1 |r,wU:8.11,wD:5.4,(-2.06,-9.01,;-2.06,-7.47,;-.72,-6.71,;-.72,-5.17,;.62,-4.41,;.62,-2.87,;1.97,-2.1,;1.97,-.56,;.64,.21,;-.7,-.56,;-.7,-2.09,;.64,1.75,;-.69,2.52,;-2.03,1.75,;-.69,4.06,;.64,4.84,;.64,6.39,;-.69,7.15,;-2.03,6.39,;-3.5,6.87,;-4.41,5.61,;-3.5,4.36,;-2.03,4.84,;1.97,7.16,;3.38,6.54,;4.41,7.68,;3.64,9.01,;2.13,8.69,)|

BDBM50600818

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-c1nnn[nH]1 |r,wU:8.11,wD:5.4,(.67,-9,;.67,-7.46,;-.67,-6.7,;-.67,-5.16,;-2.01,-4.4,;-2.01,-2.87,;-.68,-2.09,;-.68,-.55,;-2.02,.21,;-3.35,-.55,;-3.35,-2.1,;-2.02,1.75,;-.69,2.52,;.64,1.75,;-.69,4.05,;.64,4.83,;.64,6.38,;-.69,7.14,;-2.02,6.38,;-3.49,6.86,;-4.4,5.61,;-3.49,4.36,;-2.02,4.83,;1.97,7.15,;2.13,8.68,;3.64,9,;4.4,7.67,;3.38,6.52,)|

BDBM50600803

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(.65,-9,;.65,-7.46,;-.69,-6.7,;-.68,-5.16,;-2.02,-4.4,;-2.02,-2.86,;-.69,-2.09,;-.69,-.55,;-2.03,.22,;-3.36,-.55,;-3.36,-2.09,;-2.03,1.75,;-.7,2.52,;.63,1.75,;-.7,4.06,;.64,4.83,;.64,6.38,;-.69,7.15,;-2.03,6.39,;-3.5,6.87,;-4.41,5.61,;-3.5,4.36,;-2.03,4.84,;1.97,7.15,;3.37,6.53,;4.41,7.66,;3.64,9,;2.13,8.68,)|

BDBM50600813

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-n1ccnc1C |r,wU:8.11,wD:5.4,(-2.06,-9.01,;-2.06,-7.47,;-.72,-6.71,;-.72,-5.17,;.62,-4.41,;.62,-2.87,;1.97,-2.1,;1.97,-.56,;.64,.21,;-.7,-.56,;-.7,-2.09,;.64,1.75,;-.69,2.52,;-2.02,1.75,;-.69,4.06,;.64,4.84,;.64,6.38,;-.69,7.15,;-2.03,6.39,;-3.5,6.87,;-4.41,5.61,;-3.5,4.36,;-2.03,4.84,;1.97,7.16,;2.13,8.69,;3.64,9.01,;4.41,7.67,;3.38,6.53,;3.78,5.05,)|

BDBM50600812

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-n1cnc(C)c1 |r,wU:8.11,wD:5.4,(-2.83,-9.01,;-2.83,-7.48,;-1.48,-6.71,;-1.48,-5.17,;-.14,-4.41,;-.14,-2.87,;1.2,-2.1,;1.2,-.56,;-.13,.21,;-1.47,-.56,;-1.47,-2.09,;-.13,1.75,;-1.46,2.52,;-2.79,1.75,;-1.46,4.06,;-.12,4.84,;-.12,6.39,;-1.46,7.16,;-2.79,6.39,;-4.27,6.87,;-5.18,5.62,;-4.27,4.36,;-2.79,4.84,;1.21,7.16,;1.37,8.7,;2.88,9.01,;3.65,7.68,;5.18,7.52,;2.62,6.54,)|

BDBM50600817

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cc[nH]c12)-n1cncn1 |r,wU:8.11,wD:5.4,(-2.05,-8.99,;-2.05,-7.46,;-.72,-6.69,;-.72,-5.16,;.62,-4.4,;.62,-2.86,;1.96,-2.1,;1.96,-.56,;.64,.21,;-.7,-.56,;-.7,-2.09,;.64,1.75,;-.69,2.51,;-2.02,1.75,;-.69,4.05,;.64,4.83,;.64,6.37,;-.69,7.13,;-2.02,6.37,;-3.49,6.85,;-4.4,5.6,;-3.49,4.35,;-2.02,4.83,;1.97,7.14,;3.37,6.52,;4.4,7.66,;3.63,8.99,;2.13,8.67,)|

BDBM587747

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587781

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2cnsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.21,4.68,;7.87,3.91,;6.54,4.68,;5.2,3.91,;3.87,4.68,;2.54,3.91,;1.2,4.68,;-.13,3.91,;-.13,2.37,;1.2,1.6,;2.54,2.37,;-1.46,1.6,;-1.46,.06,;-.13,-.71,;-2.8,-.71,;-4.13,.06,;-5.47,-.71,;-5.47,-2.25,;-4.13,-3.02,;-3.81,-4.52,;-2.28,-4.68,;-1.65,-3.28,;-2.8,-2.25,;-6.8,.06,;-8.24,-.49,;-9.21,.71,;-8.37,2,;-6.88,1.6,)|

BDBM50600830

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2n(C)ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.57,-9.01,;-4.57,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;-.53,7.15,;-1.87,6.39,;-3.34,6.87,;-3.74,8.36,;-4.25,5.62,;-3.34,4.36,;-1.87,4.84,;2.13,7.16,;3.54,6.53,;4.57,7.68,;3.8,9.01,;2.29,8.69,)|

BDBM587752

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2nc(C)[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,5.36,;7.89,4.59,;6.55,5.36,;5.22,4.59,;3.88,5.36,;2.55,4.59,;1.22,5.34,;-.11,4.61,;-.14,3.07,;1.24,2.31,;2.55,3.07,;-1.47,2.3,;-1.47,.76,;-.14,-.01,;-2.81,-.01,;-4.16,.72,;-5.47,-.01,;-5.47,-1.55,;-4.14,-2.33,;-3.82,-3.89,;-2.28,-4.02,;-1.51,-5.36,;-1.66,-2.64,;-2.81,-1.55,;-6.8,.76,;-8.19,.13,;-9.22,1.24,;-8.42,2.61,;-6.94,2.23,)|

BDBM587770

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2nc(C)[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,5.35,;7.85,4.58,;6.52,5.35,;5.19,4.58,;3.85,5.35,;2.52,4.58,;1.18,5.35,;-.15,4.58,;-.15,3.04,;1.18,2.27,;2.52,3.04,;-1.48,2.27,;-1.48,.73,;-.15,-.04,;-2.82,-.04,;-4.15,.73,;-5.48,-.04,;-5.48,-1.58,;-4.15,-2.35,;-3.83,-3.86,;-2.3,-4.02,;-1.53,-5.35,;-1.67,-2.61,;-2.82,-1.58,;-6.82,.73,;-8.28,.25,;-9.19,1.5,;-8.28,2.75,;-6.82,2.27,)|

BDBM587743

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2nc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-6.94,1.6,;-8.45,1.92,;-9.22,.58,;-8.19,-.56,)|

BDBM587719

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2nc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM50600826

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cn2ccnc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-2.06,-9.02,;-2.06,-7.48,;-.71,-6.71,;-.71,-5.18,;.63,-4.41,;.63,-2.87,;1.97,-2.1,;1.97,-.56,;.64,.21,;-.7,-.56,;-.7,-2.09,;.64,1.75,;-.69,2.52,;-2.02,1.75,;-.69,4.06,;.64,4.84,;.64,6.39,;-.69,7.16,;-2.03,6.39,;-3.5,6.87,;-4.41,5.62,;-3.5,4.36,;-2.03,4.84,;1.98,7.16,;3.38,6.53,;4.41,7.68,;3.64,9.02,;2.13,8.7,)|

BDBM50600827

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cn2cnnc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.57,-9.02,;-4.57,-7.48,;-3.23,-6.71,;-3.23,-5.18,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.54,2.52,;.8,1.75,;-.54,4.06,;.8,4.84,;.8,6.39,;-.54,7.16,;-1.87,6.39,;-3.35,6.87,;-4.26,5.62,;-3.35,4.36,;-1.87,4.84,;2.13,7.16,;3.54,6.53,;4.57,7.68,;3.8,9.02,;2.29,8.7,)|

BDBM50580349

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(c1)-c1cncs1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(51.17,-11.37,;49.83,-10.59,;48.5,-11.37,;47.16,-10.59,;45.82,-11.36,;44.5,-10.59,;44.5,-9.05,;43.17,-8.27,;41.84,-9.05,;41.84,-10.59,;43.17,-11.35,;40.5,-8.28,;39.16,-9.05,;39.17,-10.59,;37.83,-8.29,;36.5,-9.06,;35.17,-8.31,;35.17,-6.76,;36.49,-5.98,;37.83,-6.75,;36.49,-4.45,;35.25,-3.55,;35.72,-2.08,;37.26,-2.09,;37.73,-3.54,;33.84,-9.08,;33.69,-10.62,;32.19,-10.95,;31.41,-9.62,;29.87,-9.47,;32.43,-8.47,)|

BDBM50580348

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(c1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(23.22,-11.28,;21.89,-10.5,;20.55,-11.28,;19.22,-10.5,;17.88,-11.27,;16.55,-10.5,;16.55,-8.95,;15.22,-8.18,;13.89,-8.95,;13.89,-10.5,;15.22,-11.26,;12.55,-8.19,;11.22,-8.96,;11.22,-10.5,;9.88,-8.2,;9.88,-6.66,;8.55,-5.89,;7.22,-6.67,;7.23,-8.22,;8.56,-8.97,;5.89,-8.99,;5.74,-10.52,;4.23,-10.86,;3.45,-9.53,;4.48,-8.37,;8.55,-4.35,;7.3,-3.45,;7.77,-2,;9.32,-1.98,;9.79,-3.45,)|

BDBM50580350

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(n1)-c1cncs1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(81.48,-11.66,;80.14,-10.88,;78.81,-11.65,;77.47,-10.88,;76.14,-11.65,;74.81,-10.87,;74.81,-9.33,;73.48,-8.56,;72.15,-9.33,;72.15,-10.87,;73.48,-11.64,;70.81,-8.57,;69.48,-9.34,;69.48,-10.88,;68.14,-8.58,;66.82,-9.35,;65.49,-8.59,;65.48,-7.05,;66.8,-6.27,;68.14,-7.04,;66.8,-4.73,;65.56,-3.84,;66.03,-2.37,;67.57,-2.37,;68.05,-3.83,;64.16,-9.37,;64.01,-10.9,;62.5,-11.24,;61.72,-9.91,;60.18,-9.76,;62.74,-8.76,)|

BDBM50580354

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc(n1)-n1ccnc1)-c1cnn(C)c1 |r,wU:8.11,wD:5.4,(24.41,-42.35,;23.08,-41.58,;21.74,-42.35,;20.41,-41.57,;19.07,-42.34,;17.74,-41.57,;17.74,-40.03,;16.41,-39.25,;15.08,-40.03,;15.08,-41.57,;16.41,-42.33,;13.74,-39.26,;12.41,-40.03,;12.42,-41.58,;11.07,-39.27,;9.75,-40.05,;8.42,-39.29,;8.41,-37.74,;9.74,-36.96,;11.08,-37.73,;9.74,-35.42,;8.5,-34.52,;8.97,-33.05,;10.51,-33.05,;10.98,-34.51,;7.08,-40.07,;6.93,-41.6,;5.43,-41.94,;4.64,-40.61,;3.11,-40.46,;5.67,-39.45,)|

BDBM50600833

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2[nH]ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.55,-8.99,;-4.55,-7.45,;-3.21,-6.69,;-3.21,-5.16,;-1.88,-4.4,;-1.88,-2.86,;-.54,-2.1,;-.54,-.55,;-1.86,.21,;-3.2,-.55,;-3.2,-2.09,;-1.86,1.75,;-.53,2.51,;.8,1.75,;-.53,4.05,;.8,4.83,;.8,6.37,;-.53,7.13,;-1.86,6.37,;-3.33,6.85,;-4.24,5.6,;-3.33,4.35,;-1.86,4.83,;2.13,7.14,;3.53,6.51,;4.55,7.66,;3.79,8.99,;2.28,8.67,)|

BDBM50600824

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2cc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(-2.05,-8.99,;-2.05,-7.45,;-.71,-6.69,;-.71,-5.16,;.63,-4.39,;.63,-2.86,;1.96,-2.09,;1.96,-.55,;.64,.22,;-.7,-.55,;-.7,-2.09,;.64,1.75,;-.69,2.52,;-2.02,1.75,;-.69,4.05,;.64,4.83,;.64,6.37,;-.69,7.14,;-2.02,6.38,;-3.49,6.85,;-4.4,5.6,;-3.49,4.35,;-2.02,4.83,;1.97,7.14,;3.37,6.52,;4.4,7.66,;3.63,8.99,;2.13,8.67,)|

BDBM587749

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587763

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM587756

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2cn[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM50600835

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nc2n(C)ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.55,-8.99,;-4.55,-7.45,;-3.21,-6.69,;-3.21,-5.16,;-1.88,-4.4,;-1.88,-2.86,;-.54,-2.1,;-.54,-.55,;-1.86,.21,;-3.2,-.55,;-3.2,-2.09,;-1.86,1.75,;-.53,2.51,;.8,1.75,;-.53,4.05,;.8,4.83,;.8,6.37,;-.53,7.13,;-1.86,6.37,;-3.33,6.85,;-3.73,8.33,;-4.24,5.6,;-3.33,4.35,;-1.86,4.83,;2.13,7.14,;3.53,6.51,;4.55,7.66,;3.79,8.99,;2.28,8.67,)|

BDBM50600825

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(-.62,-8.98,;-.62,-7.45,;.71,-6.68,;.71,-5.14,;2.04,-4.38,;2.04,-2.84,;3.38,-2.07,;3.38,-.53,;2.04,.24,;.71,-.54,;.71,-2.07,;2.04,1.77,;.7,2.53,;-.62,1.76,;.7,4.07,;-.64,4.84,;-.64,6.38,;.68,7.16,;2.03,6.39,;3.5,6.87,;4.41,5.62,;3.5,4.38,;2.03,4.85,;-1.97,7.14,;-3.37,6.51,;-4.41,7.64,;-3.65,8.98,;-2.14,8.67,)|

BDBM587751

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587949

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.31,4.7,;7.93,3.9,;6.56,4.72,;5.24,3.95,;3.9,4.67,;2.52,3.95,;1.18,4.7,;-.12,3.95,;-.14,2.39,;1.2,1.62,;2.52,2.39,;-1.49,1.57,;-1.51,.09,;-.14,-.76,;-2.81,-.71,;-4.18,.01,;-5.5,-.71,;-5.5,-2.27,;-4.18,-3.04,;-3.84,-4.54,;-2.32,-4.72,;-1.67,-3.35,;-2.86,-2.27,;-6.87,.01,;-8.22,-.56,;-9.31,.58,;-8.56,1.9,;-7,1.57,)|

BDBM587947

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn(C)nc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.89,9.98,;8.55,9.21,;7.22,9.98,;5.89,9.21,;4.55,9.98,;3.22,9.21,;1.89,9.98,;.55,9.21,;.55,7.67,;1.89,6.9,;3.22,7.67,;-.78,6.9,;-2.12,7.67,;-2.12,9.21,;-3.45,6.9,;-4.78,7.67,;-6.12,6.9,;-6.12,5.36,;-4.78,4.59,;-4.46,3.08,;-2.93,2.92,;-2.16,1.59,;-2.3,4.33,;-3.45,5.36,;-7.45,7.67,;-8.86,7.04,;-9.89,8.19,;-9.12,9.52,;-7.61,9.2,)|

BDBM587760

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(8.61,6.01,;7.52,4.92,;6.03,5.32,;4.94,4.23,;3.45,4.63,;2.36,3.54,;.88,3.94,;-.21,2.85,;.19,1.36,;1.67,.97,;2.76,2.05,;-.9,.28,;-.9,-1.26,;.43,-2.03,;-2.24,-2.03,;-3.57,-1.26,;-4.9,-2.03,;-4.9,-3.57,;-3.57,-4.34,;-3.25,-5.85,;-1.72,-6.01,;-1.09,-4.61,;-2.24,-3.57,;-6.24,-1.26,;-7.7,-1.74,;-8.61,-.49,;-7.7,.75,;-6.24,.28,)|

BDBM587755

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.92,5.42,;7.69,4.49,;6.27,5.08,;5.04,4.15,;3.62,4.75,;2.4,3.82,;.98,4.42,;-.25,3.49,;-.06,1.96,;1.36,1.36,;2.59,2.29,;-1.15,.87,;-1.15,-.67,;.19,-1.44,;-2.48,-1.44,;-3.81,-.67,;-5.15,-1.44,;-5.15,-2.98,;-3.81,-3.75,;-3.49,-5.26,;-1.96,-5.42,;-1.34,-4.01,;-2.48,-2.98,;-6.48,-.67,;-6.64,.86,;-8.15,1.18,;-8.92,-.15,;-7.89,-1.3,)|

BDBM587948

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cnn(C)c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.89,9.98,;8.55,9.21,;7.22,9.98,;5.89,9.21,;4.55,9.98,;3.22,9.21,;1.89,9.98,;.55,9.21,;.55,7.67,;1.89,6.9,;3.22,7.67,;-.78,6.9,;-2.12,7.67,;-2.12,9.21,;-3.45,6.9,;-4.78,7.67,;-6.12,6.9,;-6.12,5.36,;-4.78,4.59,;-4.46,3.08,;-2.93,2.92,;-2.3,4.33,;-.8,4.65,;-3.45,5.36,;-7.45,7.67,;-8.86,7.04,;-9.89,8.19,;-9.12,9.52,;-7.61,9.2,)|

BDBM587787

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2nc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587765

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2nc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM50600834

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2[nH]ccc12)-c1cncs1 |r,wU:8.11,wD:5.4,(-4.56,-9.01,;-4.56,-7.47,;-3.22,-6.71,;-3.22,-5.17,;-1.88,-4.41,;-1.88,-2.87,;-.54,-2.1,;-.54,-.56,;-1.87,.21,;-3.21,-.56,;-3.21,-2.09,;-1.87,1.75,;-.53,2.52,;.8,1.75,;-.53,4.06,;.8,4.84,;.8,6.39,;-.53,7.15,;-1.87,6.39,;-3.34,6.87,;-4.25,5.61,;-3.34,4.36,;-1.87,4.84,;2.13,7.16,;3.53,6.53,;4.56,7.67,;3.8,9.01,;2.28,8.69,)|

BDBM588021

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2c(C)c[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.36,5.15,;7.97,4.36,;6.6,5.17,;5.29,4.41,;3.9,5.15,;2.56,4.38,;1.19,5.15,;-.12,4.41,;-.14,2.86,;1.22,2.1,;2.56,2.86,;-1.48,2.05,;-1.54,.58,;-.14,-.26,;-2.82,-.21,;-4.19,.5,;-5.53,-.21,;-5.55,-1.81,;-4.16,-2.55,;-3.87,-4.02,;-4.9,-5.17,;-2.32,-4.2,;-1.69,-2.86,;-2.85,-1.76,;-6.89,.5,;-8.31,-.05,;-9.36,1.05,;-8.6,2.36,;-7.05,2.07,)|

BDBM587849

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc(C)[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.21,5.35,;7.87,4.58,;6.54,5.35,;5.2,4.58,;3.87,5.35,;2.54,4.58,;1.2,5.35,;-.13,4.58,;-.13,3.04,;1.2,2.27,;2.54,3.04,;-1.46,2.27,;-1.46,.73,;-.13,-.04,;-2.8,-.04,;-4.13,.73,;-5.47,-.04,;-5.47,-1.58,;-4.13,-2.35,;-3.81,-3.86,;-2.28,-4.02,;-1.51,-5.35,;-1.65,-2.61,;-2.8,-1.58,;-6.8,.73,;-8.24,.18,;-9.21,1.38,;-8.37,2.67,;-6.88,2.27,)|

BDBM587778

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-c1c[nH]cn1 |r,wU:8.11,wD:5.4,(9.21,4.68,;7.87,3.91,;6.54,4.68,;5.2,3.91,;3.87,4.68,;2.54,3.91,;1.2,4.68,;-.13,3.91,;-.13,2.37,;1.2,1.6,;2.54,2.37,;-1.46,1.6,;-1.46,.06,;-.13,-.71,;-2.8,-.71,;-4.13,.06,;-5.47,-.71,;-5.47,-2.25,;-4.13,-3.02,;-3.81,-4.52,;-2.28,-4.68,;-1.65,-3.28,;-2.8,-2.25,;-6.8,.06,;-8.24,-.49,;-9.21,.71,;-8.37,2,;-6.88,1.6,)|

BDBM587775

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-c1cn[nH]n1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM587772

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM587746

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587774

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1C |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,;-5.73,2.69,)|

BDBM587776

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1cncc1C |r,wU:8.11,wD:5.4,(9.22,11.73,;7.88,10.96,;6.55,11.73,;5.22,10.96,;3.88,11.73,;2.55,10.96,;1.22,11.73,;-.12,10.96,;-.12,9.42,;1.22,8.65,;2.55,9.42,;-1.45,8.65,;-1.45,7.11,;-.12,6.34,;-2.79,6.34,;-4.12,7.11,;-5.45,6.34,;-5.45,4.8,;-4.12,4.03,;-3.8,2.53,;-2.27,2.37,;-1.64,3.77,;-2.79,4.8,;-6.79,7.11,;-6.87,8.65,;-8.36,9.05,;-9.19,7.76,;-8.22,6.56,;-8.62,5.07,)|

BDBM587761

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccn(C)c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-.18,-2.88,;-2.82,-2.25,;-6.82,.06,;-8.28,-.41,;-9.19,.83,;-8.28,2.08,;-6.82,1.6,)|

BDBM587790

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-c1cncs1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587757

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-6.94,1.6,;-8.45,1.92,;-9.22,.58,;-8.19,-.56,)|

BDBM587762

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-6.82,1.6,;-8.28,2.08,;-9.19,.83,;-8.28,-.41,)|

BDBM587753

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2nc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,4.68,;7.89,3.91,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-8.19,-.56,;-9.22,.58,;-8.45,1.92,;-6.94,1.6,)|

BDBM587764

COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ncsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.19,4.68,;7.85,3.91,;6.52,4.68,;5.19,3.91,;3.85,4.68,;2.52,3.91,;1.18,4.68,;-.15,3.91,;-.15,2.37,;1.18,1.6,;2.52,2.37,;-1.48,1.6,;-1.48,.06,;-.15,-.71,;-2.82,-.71,;-4.15,.06,;-5.48,-.71,;-5.48,-2.25,;-4.15,-3.02,;-3.83,-4.52,;-2.3,-4.68,;-1.67,-3.28,;-2.82,-2.25,;-6.82,.06,;-6.82,1.6,;-8.28,2.08,;-9.19,.83,;-8.28,-.41,)|

BDBM50086432

COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086431

COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086434

COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086433

COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086349

COCCO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:5.4,wD:8.11,(9.09,10.61,;8.02,10,;8.02,8.46,;6.68,7.69,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50600840

COCCO[C@H]1CC[C@H](CNC(=O)c2cc(cc3[nH]ccc23)-c2cncs2)CC1 |r,wU:8.8,wD:5.4,(-.08,-10.05,;-.08,-8.51,;1.25,-7.74,;1.25,-6.2,;2.59,-5.43,;2.59,-3.89,;3.92,-3.12,;3.92,-1.58,;2.59,-.81,;2.59,.73,;1.25,1.5,;1.25,3.04,;2.59,3.81,;-.08,3.81,;-.09,5.36,;-1.43,6.14,;-2.76,5.36,;-2.77,3.82,;-3.92,2.79,;-3.29,1.37,;-1.75,1.53,;-1.43,3.05,;-1.43,7.68,;-.19,8.58,;-.66,10.04,;-2.2,10.05,;-2.68,8.58,;1.25,-1.58,;1.25,-3.12,)|

BDBM50600843

COCCO[C@H]1C[C@@H](C1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:7.9,wD:5.4,(-4.55,-8.56,;-4.55,-7.02,;-3.22,-6.25,;-3.22,-4.71,;-1.89,-3.94,;-1.89,-2.4,;-.8,-1.31,;-1.89,-.22,;-2.97,-1.31,;-1.89,1.32,;-.55,2.09,;.78,1.32,;-.55,3.63,;.78,4.4,;.78,5.94,;-.55,6.71,;-1.89,5.94,;-3.35,6.41,;-4.26,5.17,;-3.35,3.92,;-1.89,4.4,;2.12,6.71,;3.52,6.08,;4.55,7.23,;3.78,8.56,;2.28,8.24,)|

BDBM587805

COCCO[C@H]1C[C@@H](C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:7.9,wD:5.4,(8.83,4.46,;7.5,3.69,;6.16,4.46,;4.83,3.69,;3.5,4.46,;2.16,3.69,;.67,4.09,;.28,2.6,;1.76,2.2,;-1.06,1.83,;-1.06,.29,;.28,-.48,;-2.39,-.48,;-3.73,.29,;-5.06,-.48,;-5.06,-2.02,;-3.73,-2.79,;-3.41,-4.3,;-1.87,-4.46,;-1.25,-3.05,;-2.39,-2.02,;-6.39,.29,;-7.8,-.34,;-8.83,.81,;-8.06,2.14,;-6.55,1.82,)|

BDBM587803

COCCOc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1

BDBM587881

COCCOc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1F

BDBM587841

COCCOc1cccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1

BDBM587915

COCCOc1ncc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM587882

COCn1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM587877

CO[C@@]1(C)CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:6.9,2.2,wD:2.1,(7.22,11.29,;5.89,12.06,;4.55,11.29,;4.95,12.78,;3.22,12.06,;1.89,11.29,;1.89,9.75,;3.22,8.98,;4.55,9.75,;.55,8.98,;.55,7.44,;1.89,6.67,;-.78,6.67,;-2.12,7.44,;-3.45,6.67,;-3.45,5.13,;-2.12,4.36,;-1.8,2.85,;-.26,2.69,;.36,4.1,;-.78,5.13,;-4.78,7.44,;-6.19,6.81,;-7.22,7.96,;-6.45,9.29,;-4.94,8.97,)|

BDBM587798

CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)|

BDBM587886

CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)|

BDBM587933

CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(6.6,5.48,;6.6,3.94,;5.27,3.17,;3.89,3.91,;2.55,3.14,;2.55,1.6,;3.89,.83,;5.22,1.6,;1.22,.83,;1.22,-.71,;2.55,-1.48,;-.11,-1.48,;-1.45,-.71,;-2.78,-1.48,;-2.78,-3.02,;-1.45,-3.79,;-1.13,-5.29,;.4,-5.45,;1.03,-4.05,;-.11,-3.02,;-4.12,-.71,;-5.52,-1.33,;-6.55,-.19,;-5.78,1.15,;-4.28,.83,)|

BDBM50086436

CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086438

CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.69,7.38,;6.68,6.15,;5.35,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.02,6.16,;1.34,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.02,1.54,;-5.41,.92,;-6.43,2.07,;-5.65,3.4,;-4.15,3.07,)|

BDBM50086437

CO[C@H]1CC[C@@H](CC1)Nc1cc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086348

CO[C@H]1CC[C@@H](CC1)Nc1nc(=O)n(C)c2ccc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086350

CO[C@H]1CC[C@@H](CC1)Nc1nc(O)nc2c(C)cc(cc12)-c1cncs1 |r,wU:2.1,wD:5.8,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM587806

CO[C@H]1C[C@@H](C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.6,wD:2.1,(6.83,3.69,;5.5,4.46,;4.16,3.69,;2.67,4.09,;2.28,2.6,;3.76,2.2,;.94,1.83,;.94,.29,;2.28,-.48,;-.39,-.48,;-1.72,.29,;-3.06,-.48,;-3.06,-2.02,;-1.72,-2.79,;-1.4,-4.3,;.13,-4.46,;.75,-3.05,;-.39,-2.02,;-4.39,.29,;-5.8,-.34,;-6.83,.81,;-6.06,2.14,;-4.55,1.82,)|

BDBM587878

CO[C@]1(C)CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:6.9,2.1,wD:2.2,(7.22,11.29,;5.89,12.06,;4.55,11.29,;4.95,12.78,;3.22,12.06,;1.89,11.29,;1.89,9.75,;3.22,8.98,;4.55,9.75,;.55,8.98,;.55,7.44,;1.89,6.67,;-.78,6.67,;-2.12,7.44,;-3.45,6.67,;-3.45,5.13,;-2.12,4.36,;-1.8,2.85,;-.26,2.69,;.36,4.1,;-.78,5.13,;-4.78,7.44,;-6.19,6.81,;-7.22,7.96,;-6.45,9.29,;-4.94,8.97,)|

BDBM50081939

COc1cc(\C=N/NC(=O)c2ccoc2C)ccc1O

BDBM50347142

COc1cc(cc(O)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O

BDBM50347138

COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(=[OH+])c2cc1O

BDBM50086356

COc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1

BDBM50086355

COc1cc(cc2c(Nc3ccc(cc3)C(N)=O)ncnc12)-c1cncs1

BDBM50347140

COc1cc(ccc1O)-c1oc2cc(O)cc(=[OH+])c2cc1O

BDBM50111016

COc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)cc1

BDBM587826

COc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM587825

COc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)nc1

BDBM50347141

COc1ccc(cc1O)-c1ccc2c(cc(O)cc2=[OH+])o1

BDBM50111019

COc1cccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1

BDBM50111022

COc1ccccc1CNc1cc(C)nc2c(cccc12)C(N)=O

BDBM587815

CS(=O)(=O)N1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM50086408

CS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM587964

CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.22,3.17,;5.89,3.94,;6.66,5.27,;5.49,5.43,;4.55,3.17,;3.22,3.94,;1.89,3.17,;1.89,1.63,;3.22,.86,;4.55,1.63,;.55,.86,;.55,-.68,;1.89,-1.45,;-.78,-1.45,;-2.12,-.68,;-3.45,-1.45,;-3.45,-2.99,;-2.12,-3.76,;-1.8,-5.27,;-.26,-5.43,;.36,-4.02,;-.78,-2.99,;-4.78,-.68,;-6.19,-1.31,;-7.22,-.16,;-6.45,1.17,;-4.94,.85,)|

BDBM50086314

CS(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:4.3,wD:7.10,(7.75,6.76,;6.68,6.14,;6.68,7.38,;7.74,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086407

CS(=O)(=O)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1

BDBM50111143

C[C@@H](Nc1cc(C)nc2c(cccc12)C(N)=O)c1ccccc1C |r|

BDBM587959

C[C@@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,1.1,(8.55,3.14,;7.22,3.91,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM587871

C[C@@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,1.1,(8.55,11.04,;7.22,11.81,;7.22,13.35,;5.89,11.04,;4.55,11.81,;3.22,11.04,;1.89,11.81,;.55,11.04,;.55,9.5,;1.89,8.73,;3.22,9.5,;-.78,8.73,;-.78,7.19,;.55,6.42,;-2.12,6.42,;-3.45,7.19,;-4.78,6.42,;-4.78,4.88,;-3.45,4.11,;-3.13,2.6,;-1.6,2.44,;-.97,3.85,;-2.12,4.88,;-6.12,7.19,;-7.52,6.56,;-8.55,7.71,;-7.78,9.04,;-6.28,8.72,)|

BDBM588015

C[C@@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:6.9,1.1,wD:3.3,(5.95,13.15,;5.95,11.61,;7.26,10.73,;4.58,10.78,;3.24,11.53,;1.92,10.78,;1.9,9.26,;3.26,8.49,;4.58,9.23,;.55,8.43,;.5,6.94,;1.9,6.09,;-.79,6.14,;-2.13,6.86,;-3.47,6.14,;-3.47,4.59,;-2.13,3.79,;-1.82,2.32,;-.27,2.14,;.35,3.51,;-.81,4.59,;-4.81,6.86,;-6.23,6.29,;-7.26,7.43,;-6.49,8.74,;-4.97,8.46,)|

BDBM587943

C[C@@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,1.1,wD:6.9,(5.89,13.2,;5.89,11.66,;7.22,10.89,;4.55,10.89,;4.55,9.35,;3.22,8.58,;1.89,9.35,;1.89,10.89,;3.22,11.66,;.55,8.58,;.55,7.04,;1.89,6.27,;-.78,6.27,;-2.12,7.04,;-3.45,6.27,;-3.45,4.73,;-2.12,3.96,;-1.8,2.46,;-.26,2.29,;.36,3.7,;-.78,4.73,;-4.78,7.04,;-6.19,6.42,;-7.22,7.56,;-6.45,8.89,;-4.94,8.57,)|

BDBM588019

C[C@@H](O)[C@H]1C[C@@H](C1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:1.1,5.7,wD:3.3,(5.57,11.6,;5.54,10.06,;6.9,9.2,;4.16,9.23,;2.67,9.62,;2.28,8.16,;3.77,7.74,;.93,7.32,;.88,5.81,;2.26,4.95,;-.4,5.03,;-1.76,5.76,;-3.09,5.03,;-3.12,3.41,;-1.73,2.65,;-1.45,1.16,;.09,.93,;.74,2.37,;-.46,3.46,;-4.45,5.76,;-5.86,5.18,;-6.9,6.31,;-6.14,7.63,;-4.61,7.35,)|

BDBM50461152

C[C@@H](O)c1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:13|

BDBM50086322

C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1 |r|

BDBM50461145

C[C@@H]1N(Cc2[nH]ncc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|

BDBM50461154

C[C@@H]1N(Cc2c(C)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461164

C[C@@H]1N(Cc2c(N)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461136

C[C@@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|

BDBM587875

C[C@@](O)(C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:6.5,1.1,wD:9.12,1.2,(-1.19,15.36,;.35,15.36,;1.89,15.36,;.35,13.82,;1.68,13.05,;-.98,13.05,;-.98,11.51,;.35,10.74,;.35,9.2,;-.98,8.43,;-2.32,9.2,;-2.32,10.74,;-.98,6.89,;.35,6.12,;1.68,6.89,;.35,4.58,;1.68,3.81,;1.68,2.27,;.35,1.5,;-.98,2.27,;-2.45,1.8,;-3.35,3.04,;-2.45,4.29,;-.98,3.81,;3.02,1.5,;3.18,-.03,;4.68,-.35,;5.45,.99,;4.42,2.13,;.35,16.9,;.35,18.44,;1.89,16.9,;-1.19,16.9,)|

BDBM587991

C[C@@]1(CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1)NCC(F)(F)F |r,wU:4.7,1.0,wD:1.27,(3.22,4.79,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-6.28,.93,;-7.78,1.25,;-8.55,-.09,;-7.52,-1.23,;4.55,4.02,;5.89,3.25,;7.22,4.02,;8.55,4.79,;7.99,2.68,;6.45,5.35,)|

BDBM588028

C[C@@]1(CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)NCC(F)(F)F |r,wU:4.7,1.0,wD:1.27,(3.22,4.79,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-6.28,.93,;-7.78,1.25,;-8.55,-.09,;-7.52,-1.23,;4.55,4.02,;5.89,3.25,;7.22,4.02,;8.55,4.79,;7.99,2.68,;6.45,5.35,)|

BDBM587977

C[C@@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:5.8,1.1,wD:1.0,(5.89,4.97,;5.12,3.63,;6.66,3.63,;3.78,4.4,;2.45,3.63,;2.45,2.09,;3.78,1.32,;5.12,2.09,;1.12,1.32,;1.12,-.22,;2.45,-.99,;-.22,-.99,;-1.55,-.22,;-2.89,-.99,;-2.89,-2.53,;-1.55,-3.3,;-1.23,-4.8,;.3,-4.97,;.93,-3.56,;-.22,-2.53,;-4.22,-.22,;-5.63,-.84,;-6.66,.3,;-5.89,1.63,;-4.38,1.31,)|

BDBM587925

C[C@@]1(O)CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,1.1,wD:1.0,(5.89,4.97,;5.12,3.63,;6.66,3.63,;3.78,4.4,;2.45,3.63,;2.45,2.09,;3.78,1.32,;5.12,2.09,;1.12,1.32,;1.12,-.22,;2.45,-.99,;-.22,-.99,;-1.55,-.22,;-2.89,-.99,;-2.89,-2.53,;-1.55,-3.3,;-1.23,-4.8,;.3,-4.97,;.93,-3.56,;-.22,-2.53,;-4.22,-.22,;-5.63,-.84,;-6.66,.3,;-5.89,1.63,;-4.38,1.31,)|

BDBM50111142

C[C@H](Nc1cc(C)nc2c(cccc12)C(N)=O)c1c(C)cccc1C |r|

BDBM587958

C[C@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,1.1,wD:5.4,(8.55,3.14,;7.22,3.91,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM587872

C[C@H](O)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,1.1,wD:5.4,(8.55,11.04,;7.22,11.81,;7.22,13.35,;5.89,11.04,;4.55,11.81,;3.22,11.04,;1.89,11.81,;.55,11.04,;.55,9.5,;1.89,8.73,;3.22,9.5,;-.78,8.73,;-.78,7.19,;.55,6.42,;-2.12,6.42,;-3.45,7.19,;-4.78,6.42,;-4.78,4.88,;-3.45,4.11,;-3.13,2.6,;-1.6,2.44,;-.97,3.85,;-2.12,4.88,;-6.12,7.19,;-7.52,6.56,;-8.55,7.71,;-7.78,9.04,;-6.28,8.72,)|

BDBM588016

C[C@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:6.9,wD:1.1,3.3,(5.95,13.48,;5.95,11.94,;7.26,11.07,;4.58,11.12,;3.24,11.87,;1.92,11.12,;1.9,9.6,;3.26,8.82,;4.58,9.57,;.55,8.77,;.5,7.27,;1.9,6.42,;-.79,6.47,;-2.13,7.2,;-3.47,6.47,;-3.47,4.92,;-2.13,4.12,;-1.82,2.65,;-.27,2.47,;.35,3.84,;-.81,4.92,;-4.81,7.2,;-6.23,6.63,;-7.26,7.76,;-6.49,9.08,;-4.97,8.8,)|

BDBM587942

C[C@H](O)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,1.1,(5.89,13.2,;5.89,11.66,;7.22,10.89,;4.55,10.89,;4.55,9.35,;3.22,8.58,;1.89,9.35,;1.89,10.89,;3.22,11.66,;.55,8.58,;.55,7.04,;1.89,6.27,;-.78,6.27,;-2.12,7.04,;-3.45,6.27,;-3.45,4.73,;-2.12,3.96,;-1.8,2.46,;-.26,2.29,;.36,3.7,;-.78,4.73,;-4.78,7.04,;-6.19,6.42,;-7.22,7.56,;-6.45,8.89,;-4.94,8.57,)|

BDBM588020

C[C@H](O)[C@H]1C[C@@H](C1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:5.7,wD:1.1,3.3,(5.57,11.61,;5.54,10.07,;6.9,9.21,;4.16,9.24,;2.68,9.63,;2.28,8.16,;3.77,7.75,;.93,7.33,;.88,5.82,;2.26,4.96,;-.4,5.03,;-1.76,5.76,;-3.09,5.03,;-3.12,3.42,;-1.73,2.66,;-1.45,1.17,;.09,.94,;.74,2.37,;-.46,3.47,;-4.45,5.76,;-5.86,5.19,;-6.9,6.31,;-6.15,7.64,;-4.61,7.36,)|

BDBM50461169

C[C@H](O)c1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:13|

BDBM50086323

C[C@H]1CCCC[C@@H]1Nc1ncnc2ccc(cc12)-c1cncs1 |r|

BDBM50461146

C[C@H]1N(Cc2[nH]ncc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|

BDBM50461153

C[C@H]1N(Cc2c(C)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461170

C[C@H]1N(Cc2c(N)n[nH]c12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:12|

BDBM50461157

C[C@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|

BDBM587876

C[C@](O)(C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:6.5,1.2,wD:9.12,1.1,(-1.19,15.36,;.35,15.36,;1.89,15.36,;.35,13.82,;1.68,13.05,;-.98,13.05,;-.98,11.51,;.35,10.74,;.35,9.2,;-.98,8.43,;-2.32,9.2,;-2.32,10.74,;-.98,6.89,;.35,6.12,;1.68,6.89,;.35,4.58,;1.68,3.81,;1.68,2.27,;.35,1.5,;-.98,2.27,;-2.45,1.8,;-3.35,3.04,;-2.45,4.29,;-.98,3.81,;3.02,1.5,;3.18,-.03,;4.68,-.35,;5.45,.99,;4.42,2.13,;.35,16.9,;.35,18.44,;1.89,16.9,;-1.19,16.9,)|

BDBM587990

C[C@]1(CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1)NCC(F)(F)F |r,wU:4.7,1.27,wD:1.0,(3.22,4.79,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-6.28,.93,;-7.78,1.25,;-8.55,-.09,;-7.52,-1.23,;4.55,4.02,;5.89,3.25,;7.22,4.02,;8.55,4.79,;7.99,2.68,;6.45,5.35,)|

BDBM588027

C[C@]1(CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1)NCC(F)(F)F |r,wU:4.7,1.27,wD:1.0,(3.22,4.79,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-6.28,.93,;-7.78,1.25,;-8.55,-.09,;-7.52,-1.23,;4.55,4.02,;5.89,3.25,;7.22,4.02,;8.55,4.79,;7.99,2.68,;6.45,5.35,)|

BDBM587926

C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,1.0,wD:1.1,(5.89,4.97,;5.12,3.63,;6.66,3.63,;3.78,4.4,;2.45,3.63,;2.45,2.09,;3.78,1.32,;5.12,2.09,;1.12,1.32,;1.12,-.22,;2.45,-.99,;-.22,-.99,;-1.55,-.22,;-2.89,-.99,;-2.89,-2.53,;-1.55,-3.3,;-1.23,-4.8,;.3,-4.97,;.93,-3.56,;-.22,-2.53,;-4.22,-.22,;-5.63,-.84,;-6.66,.3,;-5.89,1.63,;-4.38,1.31,)|

BDBM50111134

Cc1cc(C(N)=O)c2nc(C)cc(NCc3c(C)cccc3C)c2c1

BDBM50110919

Cc1cc(C)cc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1

BDBM50110914

Cc1cc(N)c2cccc(C(N)=O)c2n1

BDBM50111138

Cc1cc(NC(=O)c2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111146

Cc1cc(NCC2CCCCC2)c2cccc(C(N)=O)c2n1

BDBM50111133

Cc1cc(NCc2c(C)cccc2C)c2cc(Br)cc(C(N)=O)c2n1

BDBM50111132

Cc1cc(NCc2c(C)cccc2C)c2cc(cc(C(N)=O)c2n1)-c1ccccc1

BDBM50110915

Cc1cc(NCc2c(C)cccc2C)c2cccc(C(N)=O)c2n1

BDBM50111262

Cc1cc(NCc2c(C)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111135

Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1

BDBM50111203

Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1

BDBM50111170

Cc1cc(NCc2c(Cl)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1

BDBM50110922

Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111153

Cc1cc(NCc2c(F)ccc(C)c2Cl)c2cccc(C(N)=O)c2n1

BDBM50111158

Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1

BDBM50111194

Cc1cc(NCc2c(F)ccc(Cl)c2F)c2cccc(C(N)=O)c2n1

BDBM50111177

Cc1cc(NCc2c(F)ccc(F)c2Cl)c2cccc(C(N)=O)c2n1

BDBM50111218

Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111263

Cc1cc(NCc2c(F)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111264

Cc1cc(NCc2c(F)cccc2F)c2cccc(C(N)=O)c2n1

BDBM50110918

Cc1cc(NCc2cc(Cl)cc(Cl)c2)c2cccc(C(N)=O)c2n1

BDBM50110943

Cc1cc(NCc2cc(Cl)ccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50110921

Cc1cc(NCc2ccc(C)c(C)c2)c2cccc(C(N)=O)c2n1

BDBM50110920

Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c2n1

BDBM50111017

Cc1cc(NCc2ccc(Cl)cc2)c2cccc(C(N)=O)c2n1

BDBM50110970

Cc1cc(NCc2ccc(Cl)cc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111020

Cc1cc(NCc2cccc(Cl)c2)c2cccc(C(N)=O)c2n1

BDBM50110916

Cc1cc(NCc2cccc(Cl)c2C)c2cccc(C(N)=O)c2n1

BDBM50111130

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(Br)c2n1

BDBM50111359

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C#N)c2n1

BDBM50111011

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1

BDBM50111126

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(O)=O)c2n1

BDBM50111360

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CN)c2n1

BDBM50111024

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CO)c2n1

BDBM50111267

Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(c2n1)S(N)(=O)=O

BDBM50111131

Cc1cc(NCc2cccc(Cl)c2Cl)c2ccccc2n1

BDBM50110917

Cc1cc(NCc2cccc(Cl)c2F)c2cccc(C(N)=O)c2n1

BDBM50111266

Cc1cc(NCc2cccc(c2F)C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111265

Cc1cc(NCc2cccc3ccccc23)c2cccc(C(N)=O)c2n1

BDBM50110913

Cc1cc(NCc2ccccc2)c2cccc(C(N)=O)c2n1

BDBM50111014

Cc1cc(NCc2ccccc2Br)c2cccc(C(N)=O)c2n1

BDBM50111015

Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111013

Cc1cc(NCc2ccccc2C(N)=O)c2cccc(C(N)=O)c2n1

BDBM50110912

Cc1cc(NCc2ccccc2C)c2cccc(C(N)=O)c2n1

BDBM50111023

Cc1cc(NCc2ccccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111149

Cc1cc(NCc2cccnc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111150

Cc1cc(NCc2ccncc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111151

Cc1cc(NCc2cnccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111152

Cc1cc(NCc2ncccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM50111148

Cc1cc(NCc2sccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111141

Cc1cc(N[C@@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r|

BDBM50111140

Cc1cc(N[C@H]2CCCc3ccccc23)c2cccc(C(N)=O)c2n1 |r|

BDBM50111137

Cc1cc(OCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50111136

Cc1cc(SCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1

BDBM50086424

Cc1cc(cc2c(NC3CCOCC3)cc(=O)[nH]c12)-c1cncs1

BDBM50086430

Cc1cc(cc2c(NC3CCOCC3)cc(=O)n(C)c12)-c1cncs1

BDBM50086351

Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1

BDBM50086352

Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)ncnc12)-c1cncs1

BDBM587750

Cc1cc2cc(cc(C(=O)NCc3c(F)cccc3C(F)(F)F)c2[nH]1)-c1cncs1

BDBM587923

Cc1cc2nc(nc(C(=O)NC3CCC(F)(F)CC3)c2[nH]1)-n1ccnc1

BDBM587934

Cc1cc2nc(nc(C(=O)N[C@H]3CC[C@@H](CC3)C(C)(C)O)c2[nH]1)-n1ccnc1 |r,wU:11.10,wD:14.17,(.51,-6.02,;-.26,-4.68,;-1.8,-4.52,;-2.12,-3.02,;-3.45,-2.25,;-3.45,-.71,;-2.12,.06,;-.78,-.71,;.55,.06,;1.89,-.71,;.55,1.6,;1.89,2.37,;1.89,3.91,;3.22,4.68,;4.55,3.91,;4.55,2.37,;3.22,1.6,;5.89,4.68,;5.12,6.02,;6.66,6.02,;7.22,3.91,;-.78,-2.25,;.36,-3.28,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)|

BDBM50110963

Cc1ccc(C)c(CNc2cc(C)nc3c(cccc23)C(N)=O)c1

BDBM50110997

Cc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c(C)c1

BDBM50111018

Cc1ccc(CNc2cc(C)nc3c(cccc23)C(N)=O)cc1

BDBM50086413

Cc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM50178773

Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O

BDBM50111012

Cc1ccc2cccc(C(=O)NNCc3cccc(C)c3C)c2n1

BDBM50111021

Cc1cccc(CNc2cc(C)nc3c(cccc23)C(N)=O)c1

BDBM50086412

Cc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1

BDBM50086411

Cc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1

BDBM50461162

Cc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:11|

BDBM50461133

Cc1n[nH]cc1CNc1nc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1

BDBM587782

Cc1nc2cc(cc(C(=O)NCc3c(F)cccc3C(F)(F)F)c2[nH]1)-n1ccnc1

BDBM587858

Cc1nc2nc(nc(C(=O)NC3CCC(F)(F)CC3)c2[nH]1)-n1ccnc1

BDBM50111147

Cc1noc(C)c1CNc1cc(C)nc2c(cccc12)C(N)=O

BDBM50081944

Cc1occc1C(=O)NNC(=O)c1ccccc1O

BDBM50081938

Cc1occc1C(=O)N\N=C/c1ccc(O)c(O)c1

BDBM50081942

Cc1occc1C(=O)N\N=C/c1cccc(Cl)c1O

BDBM50081943

Cc1occc1C(=O)N\N=C/c1cccc(F)c1O

BDBM50081940

Cc1occc1C(=O)N\N=C/c1ccccc1

BDBM50081941

Cc1occc1C(=O)N\N=C/c1ccccc1O

BDBM587890

Clc1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)ccn1

BDBM587906

Clc1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cnc1OCCN1CCOCC1

BDBM587828

Clc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1

BDBM587887

Clc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM587884

Clc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)nc1

BDBM50086419

Clc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM587829

Clc1cccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1

BDBM587894

Clc1cccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)n1

BDBM50086418

Clc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1

BDBM587830

Clc1ccccc1NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM50086417

Clc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1

BDBM587892

Clc1ccnc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1

BDBM587891

Clc1cncc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1

BDBM50086440

Cn1c2ccc(cc2c(N)cc1=O)-c1cncs1

BDBM50086425

Cn1c2ccc(cc2c(NC2CCOCC2)cc1=O)-c1cncs1

BDBM50086439

Cn1c2ccc(cc2c(N[C@H]2CC[C@H](O)CC2)cc1=O)-c1cncs1 |r,wU:13.14,wD:10.10,(1.33,-2.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;6.41,5.99,;4.01,6.15,;2.68,5.39,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM587840

Cn1cc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cn1

BDBM50461144

Cn1cc2CN(Cc2n1)C1NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1

BDBM587835

Cn1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)n1

BDBM587836

Cn1cnc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)c1

BDBM50461151

Cn1ncc2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:11|

BDBM587985

FC(F)(F)C1CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:11.15,wD:8.8,(8.85,5.73,;7.52,4.96,;8.29,3.62,;6.75,6.29,;6.18,4.19,;5.76,2.69,;4.28,3.09,;4.68,4.57,;2.94,2.32,;1.61,3.09,;.28,2.32,;.28,.78,;1.61,.01,;2.94,.78,;-1.06,.01,;-1.06,-1.53,;.28,-2.3,;-2.39,-2.3,;-3.73,-1.53,;-5.06,-2.3,;-5.06,-3.84,;-3.73,-4.61,;-3.41,-6.12,;-1.87,-6.28,;-1.25,-4.87,;-2.39,-3.84,;-6.39,-1.53,;-7.8,-2.16,;-8.83,-1.01,;-8.06,.32,;-6.55,-0,)|

BDBM587992

FC(F)(F)C1CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:11.15,wD:8.8,(8.85,5.73,;7.52,4.96,;8.29,3.62,;6.75,6.29,;6.18,4.19,;5.76,2.69,;4.28,3.09,;4.68,4.57,;2.94,2.32,;1.61,3.09,;.28,2.32,;.28,.78,;1.61,.01,;2.94,.78,;-1.06,.01,;-1.06,-1.53,;.28,-2.3,;-2.39,-2.3,;-3.73,-1.53,;-5.06,-2.3,;-5.06,-3.84,;-3.73,-4.61,;-3.41,-6.12,;-1.87,-6.28,;-1.25,-4.87,;-2.39,-3.84,;-6.39,-1.53,;-7.8,-2.16,;-8.83,-1.01,;-8.06,.32,;-6.55,-0,)|

BDBM587807

FC(F)(F)CCN1CCC(C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587795

FC(F)(F)CCN1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587939

FC(F)(F)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(7.89,.55,;6.55,1.32,;5.78,-.01,;7.32,2.66,;5.22,2.09,;5.22,3.63,;3.89,4.4,;2.55,3.63,;1.22,4.4,;-.11,3.63,;-.11,2.09,;1.22,1.32,;2.55,2.09,;-1.45,1.32,;-1.45,-.22,;-.11,-.99,;-2.78,-.99,;-4.12,-.22,;-5.45,-.99,;-5.45,-2.53,;-4.12,-3.3,;-3.8,-4.8,;-2.26,-4.97,;-1.64,-3.56,;-2.78,-2.53,;-6.78,-.22,;-8.19,-.84,;-9.22,.3,;-8.45,1.63,;-6.94,1.31,)|

BDBM587844

FC(F)(F)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(7.87,.55,;6.54,1.32,;5.77,-.01,;7.31,2.66,;5.2,2.09,;5.2,3.63,;3.87,4.4,;2.54,3.63,;1.2,4.4,;-.13,3.63,;-.13,2.09,;1.2,1.32,;2.54,2.09,;-1.46,1.32,;-1.46,-.22,;-.13,-.99,;-2.8,-.99,;-4.13,-.22,;-5.47,-.99,;-5.47,-2.53,;-4.13,-3.3,;-3.81,-4.8,;-2.28,-4.97,;-1.65,-3.56,;-2.8,-2.53,;-6.8,-.22,;-8.24,-.77,;-9.21,.43,;-8.37,1.72,;-6.88,1.32,)|

BDBM587973

FC(F)(F)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:10.13,wD:7.6,(9.22,4.3,;7.89,3.53,;7.89,5.07,;7.89,1.99,;6.55,4.3,;5.22,3.53,;3.89,4.3,;2.55,3.53,;1.22,4.3,;-.11,3.53,;-.11,1.99,;1.22,1.22,;2.55,1.99,;-1.45,1.22,;-1.45,-.32,;-.11,-1.09,;-2.78,-1.09,;-4.12,-.32,;-5.45,-1.09,;-5.45,-2.63,;-4.12,-3.4,;-3.8,-4.91,;-2.26,-5.07,;-1.64,-3.66,;-2.78,-2.63,;-6.78,-.32,;-6.94,1.21,;-8.45,1.53,;-9.22,.2,;-8.19,-.95,)|

BDBM587938

FC(F)(F)CCN[C@H]1CC[C@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,7.6,(7.89,.55,;6.55,1.32,;5.78,-.01,;7.32,2.66,;5.22,2.09,;5.22,3.63,;3.89,4.4,;2.55,3.63,;2.55,2.09,;1.22,1.32,;-.11,2.09,;-.11,3.63,;1.22,4.4,;-1.45,1.32,;-1.45,-.22,;-.11,-.99,;-2.78,-.99,;-4.12,-.22,;-5.45,-.99,;-5.45,-2.53,;-4.12,-3.3,;-3.8,-4.8,;-2.26,-4.97,;-1.64,-3.56,;-2.78,-2.53,;-6.78,-.22,;-8.19,-.84,;-9.22,.3,;-8.45,1.63,;-6.94,1.31,)|

BDBM588000

FC(F)(F)CCO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(7.89,.55,;6.55,1.32,;5.78,-.01,;7.32,2.66,;5.22,2.09,;5.22,3.63,;3.89,4.4,;2.55,3.63,;1.22,4.4,;-.11,3.63,;-.11,2.09,;1.22,1.32,;2.55,2.09,;-1.45,1.32,;-1.45,-.22,;-.11,-.99,;-2.78,-.99,;-4.12,-.22,;-5.45,-.99,;-5.45,-2.53,;-4.12,-3.3,;-3.8,-4.8,;-2.26,-4.97,;-1.64,-3.56,;-2.78,-2.53,;-6.78,-.22,;-8.19,-.84,;-9.22,.3,;-8.45,1.63,;-6.94,1.31,)|

BDBM587808

FC(F)(F)CN1CCC(C1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587792

FC(F)(F)CN1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587843

FC(F)(F)CNC1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |(4.92,-11.02,;4.92,-9.48,;3.38,-9.48,;6.46,-9.48,;4.92,-7.94,;6.26,-7.17,;6.26,-5.63,;7.59,-4.86,;7.59,-3.32,;6.26,-2.55,;4.92,-3.32,;4.92,-4.86,;6.26,-1.01,;4.92,-.24,;3.59,-1.01,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;7.59,4.38,;9,3.76,;10.03,4.9,;9.26,6.23,;7.75,5.91,)|

BDBM588001

FC(F)(F)CNC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(9.22,4.68,;7.89,3.91,;7.89,2.37,;9.22,3.14,;6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;1.22,4.68,;-.11,3.91,;-.11,2.37,;1.22,1.6,;2.55,2.37,;-1.45,1.6,;-1.45,.06,;-.11,-.71,;-2.78,-.71,;-4.12,.06,;-5.45,-.71,;-5.45,-2.25,;-4.12,-3.02,;-3.8,-4.52,;-2.26,-4.68,;-1.64,-3.28,;-2.78,-2.25,;-6.78,.06,;-6.94,1.6,;-8.45,1.92,;-9.22,.58,;-8.19,-.56,)|

BDBM588024

FC(F)(F)CNC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:10.13,wD:7.6,(7.89,.55,;6.55,1.32,;5.78,-.01,;7.32,2.66,;5.22,2.09,;5.22,3.63,;3.89,4.4,;2.55,3.63,;1.22,4.4,;-.11,3.63,;-.11,2.09,;1.22,1.32,;2.55,2.09,;-1.45,1.32,;-1.45,-.22,;-.11,-.99,;-2.78,-.99,;-4.12,-.22,;-5.45,-.99,;-5.45,-2.53,;-4.12,-3.3,;-3.8,-4.8,;-2.26,-4.97,;-1.64,-3.56,;-2.78,-2.53,;-6.78,-.22,;-8.19,-.84,;-9.22,.3,;-8.45,1.63,;-6.94,1.31,)|

BDBM588023

FC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.55,4.79,;7.22,4.02,;7.99,2.68,;6.45,5.35,;5.89,3.25,;4.55,4.02,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-7.52,-1.23,;-8.55,-.09,;-7.78,1.25,;-6.28,.93,)|

BDBM587856

FC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.55,12.37,;7.22,11.6,;7.99,10.27,;6.45,12.93,;5.89,10.83,;4.55,11.6,;3.22,10.83,;1.89,11.6,;.55,10.83,;.55,9.29,;1.89,8.52,;3.22,9.29,;-.78,8.52,;-.78,6.98,;.55,6.21,;-2.12,6.21,;-3.45,6.98,;-4.78,6.21,;-4.78,4.67,;-3.45,3.9,;-3.13,2.39,;-1.6,2.23,;-.97,3.64,;-2.12,4.67,;-6.12,6.98,;-7.52,6.35,;-8.55,7.5,;-7.78,8.83,;-6.28,8.51,)|

BDBM587842

FC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.54,12.02,;7.2,11.25,;7.97,9.91,;6.44,12.58,;5.87,10.48,;4.54,11.25,;3.2,10.48,;1.87,11.25,;.54,10.48,;.54,8.94,;1.87,8.17,;3.2,8.94,;-.8,8.17,;-.8,6.63,;.54,5.86,;-2.13,5.86,;-3.46,6.63,;-4.8,5.86,;-4.8,4.32,;-3.46,3.55,;-3.14,2.04,;-1.61,1.88,;-.99,3.29,;-2.13,4.32,;-6.13,6.63,;-7.57,6.08,;-8.54,7.27,;-7.7,8.56,;-6.21,8.17,)|

BDBM587971

FC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:9.12,wD:6.5,(9.76,1.6,;8.27,1.21,;8.67,-.28,;7.87,2.69,;6.78,.81,;5.7,1.9,;4.21,1.5,;3.12,2.59,;1.63,2.19,;1.23,.7,;2.32,-.39,;3.81,.01,;-.25,.3,;-1.59,1.07,;-1.59,2.61,;-2.92,.3,;-4.26,1.07,;-5.59,.3,;-5.59,-1.24,;-4.26,-2.01,;-3.94,-3.51,;-2.4,-3.68,;-1.78,-2.27,;-2.92,-1.24,;-6.92,1.07,;-8.33,.45,;-9.36,1.59,;-8.59,2.92,;-7.08,2.6,)|

BDBM587941

FC(F)(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.55,4.79,;7.22,4.02,;7.99,2.68,;6.45,5.35,;5.89,3.25,;4.55,4.02,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-7.52,-1.23,;-8.55,-.09,;-7.78,1.25,;-6.28,.93,)|

BDBM587857

FC(F)(F)CN[C@H]1CC[C@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,6.5,(8.55,12.37,;7.22,11.6,;7.99,10.27,;6.45,12.93,;5.89,10.83,;4.55,11.6,;3.22,10.83,;3.22,9.29,;1.89,8.52,;.55,9.29,;.55,10.83,;1.89,11.6,;-.78,8.52,;-.78,6.98,;.55,6.21,;-2.12,6.21,;-3.45,6.98,;-4.78,6.21,;-4.78,4.67,;-3.45,3.9,;-3.13,2.39,;-1.6,2.23,;-.97,3.64,;-2.12,4.67,;-6.12,6.98,;-7.52,6.35,;-8.55,7.5,;-7.78,8.83,;-6.28,8.51,)|

BDBM588002

FC(F)(F)CO[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,6.5,(8.55,4.79,;7.22,4.02,;7.99,2.68,;6.45,5.35,;5.89,3.25,;4.55,4.02,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-7.52,-1.23,;-8.55,-.09,;-7.78,1.25,;-6.28,.93,)|

BDBM588003

FC(F)(F)CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(8.55,4.79,;7.22,4.02,;7.99,2.68,;6.45,5.35,;5.89,3.25,;4.55,4.02,;3.22,3.25,;1.89,4.02,;.55,3.25,;.55,1.71,;1.89,.94,;3.22,1.71,;-.78,.94,;-.78,-.6,;.55,-1.37,;-2.12,-1.37,;-3.45,-.6,;-4.78,-1.37,;-4.78,-2.91,;-3.45,-3.68,;-3.13,-5.19,;-1.6,-5.35,;-.97,-3.94,;-2.12,-2.91,;-6.12,-.6,;-7.52,-1.23,;-8.55,-.09,;-7.78,1.25,;-6.28,.93,)|

BDBM587982

FC(F)(F)COc1ccc(NC(=O)c2nc(cc3cn[nH]c23)-n2ccnc2)cn1

BDBM587917

FC(F)(F)O[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(6.55,5.84,;6.55,4.3,;7.89,3.53,;7.89,5.07,;5.22,3.53,;3.89,2.76,;2.55,3.53,;1.22,2.76,;1.22,1.22,;2.55,.45,;3.89,1.22,;-.11,.45,;-.11,-1.09,;1.22,-1.86,;-1.45,-1.86,;-2.78,-1.09,;-4.12,-1.86,;-4.12,-3.4,;-2.78,-4.17,;-2.46,-5.68,;-.93,-5.84,;-.3,-4.43,;-1.45,-3.4,;-5.45,-1.09,;-6.86,-1.72,;-7.89,-.57,;-7.12,.76,;-5.61,.44,)|

BDBM587780

FC(F)(F)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:7.10,4.3,(7.25,11.31,;5.92,10.54,;6.69,9.21,;5.15,11.87,;4.59,9.77,;3.2,10.51,;1.87,9.74,;1.87,8.2,;3.2,7.43,;4.54,8.2,;.54,7.43,;.54,5.89,;1.87,5.12,;-.8,5.12,;-2.13,5.89,;-3.46,5.12,;-3.46,3.58,;-2.13,2.81,;-1.81,1.31,;-.28,1.15,;.35,2.55,;-.8,3.58,;-4.8,5.89,;-6.24,5.34,;-7.2,6.54,;-6.37,7.83,;-4.88,7.43,)|

BDBM587866

FC(F)(F)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:7.10,4.3,(7.27,12.73,;5.93,11.96,;6.7,10.63,;5.16,13.3,;4.6,11.19,;3.22,11.93,;1.89,11.16,;1.89,9.62,;3.22,8.85,;4.55,9.62,;.55,8.85,;.55,7.31,;1.89,6.54,;-.78,6.54,;-2.12,7.31,;-3.45,6.54,;-3.45,5,;-2.12,4.23,;-1.8,2.73,;-.26,2.57,;.36,3.97,;-.78,5,;-4.78,7.31,;-6.19,6.69,;-7.22,7.83,;-6.45,9.17,;-4.94,8.85,)|

BDBM587911

FC(F)(F)[C@@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,4.3,(7.27,4.81,;5.93,4.04,;6.7,2.71,;5.16,5.38,;4.6,3.27,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|

BDBM587921

FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.27,4.81,;5.93,4.04,;6.7,2.71,;5.16,5.38,;4.6,3.27,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|

BDBM587779

FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.3,wD:7.10,(7.25,11.31,;5.92,10.54,;6.69,9.21,;5.15,11.87,;4.59,9.77,;4.54,8.2,;3.2,7.43,;1.87,8.2,;1.87,9.74,;3.2,10.51,;.54,7.43,;.54,5.89,;1.87,5.12,;-.8,5.12,;-2.13,5.89,;-3.46,5.12,;-3.46,3.58,;-2.13,2.81,;-1.81,1.31,;-.28,1.15,;.35,2.55,;-.8,3.58,;-4.8,5.89,;-6.24,5.34,;-7.2,6.54,;-6.37,7.83,;-4.88,7.43,)|

BDBM587865

FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.27,12.73,;5.93,11.96,;6.7,10.63,;5.16,13.3,;4.6,11.19,;3.22,11.93,;1.89,11.16,;1.89,9.62,;3.22,8.85,;4.55,9.62,;.55,8.85,;.55,7.31,;1.89,6.54,;-.78,6.54,;-2.12,7.31,;-3.45,6.54,;-3.45,5,;-2.12,4.23,;-1.8,2.73,;-.26,2.57,;.36,3.97,;-.78,5,;-4.78,7.31,;-6.19,6.69,;-7.22,7.83,;-6.45,9.17,;-4.94,8.85,)|

BDBM587910

FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.10,wD:4.3,(7.27,4.81,;5.93,4.04,;6.7,2.71,;5.16,5.38,;4.6,3.27,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|

BDBM587897

FC(F)(F)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2nc[nH]c12)-n1ccnc1 |r,wU:4.3,wD:7.10,(5.89,5.45,;5.89,3.91,;7.22,3.14,;7.22,4.68,;4.55,3.14,;4.55,1.6,;3.22,.83,;1.89,1.6,;1.89,3.14,;3.22,3.91,;.55,.83,;.55,-.71,;1.89,-1.48,;-.78,-1.48,;-2.12,-.71,;-3.45,-1.48,;-3.45,-3.02,;-2.12,-3.79,;-1.8,-5.29,;-.26,-5.45,;.36,-4.05,;-.78,-3.02,;-4.78,-.71,;-6.19,-1.33,;-7.22,-.19,;-6.45,1.15,;-4.94,.83,)|

BDBM587980

FC(F)(F)c1ccc(NC(=O)c2nc(cc3cn[nH]c23)-n2ccnc2)cn1

BDBM50086410

FC(F)(F)c1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1

BDBM587996

FC(F)CCNC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587930

FC(F)CCN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,wD:6.5,(9.89,3.53,;8.55,2.76,;8.55,1.22,;7.22,3.53,;5.89,2.76,;4.55,3.53,;3.22,2.76,;1.89,3.53,;.55,2.76,;.55,1.22,;1.89,.45,;3.22,1.22,;-.78,.45,;-2.12,1.22,;-2.12,2.76,;-3.45,.45,;-4.78,1.22,;-6.12,.45,;-6.12,-1.09,;-4.78,-1.86,;-4.46,-3.37,;-2.93,-3.53,;-2.3,-2.12,;-3.45,-1.09,;-7.45,1.22,;-8.86,.59,;-9.89,1.74,;-9.12,3.07,;-7.61,2.75,)|

BDBM587931

FC(F)CCN[C@H]1CC[C@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.12,6.5,(9.89,3.53,;8.55,2.76,;8.55,1.22,;7.22,3.53,;5.89,2.76,;4.55,3.53,;3.22,2.76,;3.22,1.22,;1.89,.45,;.55,1.22,;.55,2.76,;1.89,3.53,;-.78,.45,;-2.12,1.22,;-2.12,2.76,;-3.45,.45,;-4.78,1.22,;-6.12,.45,;-6.12,-1.09,;-4.78,-1.86,;-4.46,-3.37,;-2.93,-3.53,;-2.3,-2.12,;-3.45,-1.09,;-7.45,1.22,;-8.86,.59,;-9.89,1.74,;-9.12,3.07,;-7.61,2.75,)|

BDBM588012

FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(7.26,5.5,;7.24,4,;8.61,3.16,;5.93,3.21,;4.58,3.94,;3.23,3.19,;1.9,3.97,;.57,3.21,;.52,1.65,;1.9,.87,;3.23,1.65,;-.81,.82,;-.83,-.66,;.52,-1.52,;-2.13,-1.47,;-3.49,-.74,;-4.82,-1.47,;-4.82,-3.03,;-3.49,-3.81,;-3.15,-5.32,;-1.61,-5.5,;-.99,-4.15,;-2.19,-3.03,;-6.17,-.74,;-7.55,-1.31,;-8.61,-.17,;-7.86,1.13,;-6.32,.85,)|

BDBM587946

FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(8.55,3.14,;7.22,3.91,;7.22,5.45,;5.89,3.14,;4.55,3.91,;3.22,3.14,;1.89,3.91,;.55,3.14,;.55,1.6,;1.89,.83,;3.22,1.6,;-.78,.83,;-.78,-.71,;.55,-1.48,;-2.12,-1.48,;-3.45,-.71,;-4.78,-1.48,;-4.78,-3.02,;-3.45,-3.79,;-3.13,-5.29,;-1.6,-5.45,;-.97,-4.05,;-2.12,-3.02,;-6.12,-.71,;-7.52,-1.33,;-8.55,-.19,;-7.78,1.15,;-6.28,.83,)|

BDBM587846

FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.4,wD:8.11,(4.54,8.29,;5.87,9.06,;7.2,8.29,;5.87,10.6,;4.54,11.37,;3.2,10.6,;3.2,9.06,;1.87,8.29,;.54,9.06,;.54,10.6,;1.87,11.37,;-.8,8.29,;-.8,6.75,;.54,5.98,;-2.13,5.98,;-3.46,6.75,;-4.8,5.98,;-4.8,4.44,;-3.46,3.67,;-3.14,2.17,;-1.61,2.01,;-.99,3.41,;-2.13,4.44,;-6.13,6.75,;-7.57,6.2,;-8.54,7.4,;-7.7,8.69,;-6.21,8.29,)|

BDBM587972

FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,1.99,;7.89,2.76,;7.89,4.3,;6.55,1.99,;5.22,2.76,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-1.45,.45,;-1.45,1.99,;-2.78,-.32,;-4.12,.45,;-5.45,-.32,;-5.45,-1.86,;-4.12,-2.63,;-3.8,-4.14,;-2.26,-4.3,;-1.64,-2.89,;-2.78,-1.86,;-6.78,.45,;-8.19,-.18,;-9.22,.97,;-8.45,2.3,;-6.94,1.98,)|

BDBM587957

FC(F)CN[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:8.11,wD:5.4,(9.22,1.99,;7.89,2.76,;7.89,4.3,;6.55,1.99,;5.22,2.76,;3.89,1.99,;2.55,2.76,;1.22,1.99,;1.22,.45,;2.55,-.32,;3.89,.45,;-.11,-.32,;-1.45,.45,;-1.45,1.99,;-2.78,-.32,;-4.12,.45,;-5.45,-.32,;-5.45,-1.86,;-4.12,-2.63,;-3.8,-4.14,;-2.26,-4.3,;-1.64,-2.89,;-2.78,-1.86,;-6.78,.45,;-8.19,-.18,;-9.22,.97,;-8.45,2.3,;-6.94,1.98,)|

BDBM587847

FC(F)CN[C@H]1CC[C@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:8.11,5.4,(4.54,8.29,;5.87,9.06,;7.2,8.29,;5.87,10.6,;4.54,11.37,;3.2,10.6,;3.2,9.06,;1.87,8.29,;.54,9.06,;.54,10.6,;1.87,11.37,;-.8,8.29,;-.8,6.75,;.54,5.98,;-2.13,5.98,;-3.46,6.75,;-4.8,5.98,;-4.8,4.44,;-3.46,3.67,;-3.14,2.17,;-1.61,2.01,;-.99,3.41,;-2.13,4.44,;-6.13,6.75,;-7.57,6.2,;-8.54,7.4,;-7.7,8.69,;-6.21,8.29,)|

BDBM587848

FC1(F)CCC(CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587899

FC1(F)CCC(CC1)NC(=O)c1nc(nc2ccsc12)-n1ccnc1

BDBM587909

FC1(F)CCC(CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1

BDBM587902

FC1(F)CCC(CC1)NC(=O)c1nc(nc2nc[nH]c12)-n1ccnc1

BDBM587907

FC1(F)CCC(CCNC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)CC1

BDBM587983

FC1(F)CCN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:10.14,wD:7.7,(6.32,6.35,;6.72,4.87,;8.05,5.81,;7.49,3.53,;6.46,2.39,;5.05,3.01,;5.22,4.55,;3.72,2.24,;2.39,3.01,;1.05,2.24,;1.05,.7,;2.39,-.07,;3.72,.7,;-.28,-.07,;-.28,-1.61,;1.05,-2.38,;-1.61,-2.38,;-2.95,-1.61,;-4.28,-2.38,;-4.28,-3.92,;-2.95,-4.69,;-2.63,-6.19,;-1.1,-6.35,;-.47,-4.95,;-1.61,-3.92,;-5.61,-1.61,;-7.02,-2.23,;-8.05,-1.09,;-7.28,.25,;-5.78,-.07,)|

BDBM587978

FC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:9.13,wD:6.6,(8.27,4.56,;6.73,4.56,;7.5,5.89,;6.33,3.07,;4.84,3.47,;5.24,4.96,;3.51,2.7,;2.17,3.47,;.84,2.7,;.84,1.16,;2.17,.39,;3.51,1.16,;-.49,.39,;-.49,-1.15,;.84,-1.92,;-1.83,-1.92,;-3.16,-1.15,;-4.5,-1.92,;-4.5,-3.46,;-3.16,-4.23,;-2.84,-5.73,;-1.31,-5.89,;-.68,-4.49,;-1.83,-3.46,;-5.83,-1.15,;-7.24,-1.77,;-8.27,-.63,;-7.5,.7,;-5.99,.38,)|

BDBM587955

FC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:9.13,wD:6.6,(7.5,5.89,;6.73,4.56,;8.27,4.56,;6.33,3.07,;4.84,3.47,;5.24,4.96,;3.51,2.7,;2.17,3.47,;.84,2.7,;.84,1.16,;2.17,.39,;3.51,1.16,;-.49,.39,;-.49,-1.15,;.84,-1.92,;-1.83,-1.92,;-3.16,-1.15,;-4.5,-1.92,;-4.5,-3.46,;-3.16,-4.23,;-2.84,-5.73,;-1.31,-5.89,;-.68,-4.49,;-1.83,-3.46,;-5.83,-1.15,;-7.24,-1.77,;-8.27,-.63,;-7.5,.7,;-5.99,.38,)|

BDBM588006

FC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:9.13,wD:6.6,(8.28,4.49,;6.74,4.49,;7.13,5.98,;6.35,3,;4.86,3.38,;5.24,4.87,;3.54,2.6,;2.18,3.34,;.89,2.62,;.87,1.08,;2.23,.31,;3.54,1.08,;-.5,.26,;-.52,-1.23,;.87,-2.08,;-1.81,-2,;-3.14,-1.23,;-4.47,-2,;-4.47,-3.54,;-3.14,-4.31,;-2.82,-5.82,;-1.29,-5.98,;-.66,-4.57,;-1.81,-3.54,;-5.84,-1.28,;-7.2,-1.87,;-8.28,-.74,;-7.53,.57,;-5.99,.28,)|

BDBM587868

F[C@@H]1CNCC[C@H]1NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM587918

F[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.7,wD:1.0,(6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;2.55,2.37,;3.89,1.6,;5.22,2.37,;1.22,1.6,;1.22,.06,;2.55,-.71,;-.11,-.71,;-1.45,.06,;-2.78,-.71,;-2.78,-2.25,;-1.45,-3.02,;-1.13,-4.52,;.4,-4.68,;1.03,-3.28,;-.11,-2.25,;-4.12,.06,;-5.52,-.56,;-6.55,.58,;-5.78,1.92,;-4.28,1.6,)|

BDBM587867

F[C@H]1CNCC[C@H]1NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM587837

Fc1ccc(NC(=O)c2nc(nc3cc[nH]c23)-n2ccnc2)cc1Cl

BDBM50086422

Fc1ccc(Nc2ccnc3ccc(cc23)-c2cncs2)cc1Cl

BDBM50086354

Fc1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1Cl

BDBM50086416

Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM50086420

Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1Cl

BDBM50086415

Fc1cccc(Nc2ncnc3ccc(cc23)-c2cncs2)c1

BDBM587771

Fc1cccc(c1CNC(=O)c1cc(cc2cc[nH]c12)-c1cncs1)C(F)(F)F

BDBM587744

Fc1cccc(c1CNC(=O)c1cc(cc2cc[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587742

Fc1cccc(c1CNC(=O)c1cc(cc2nc[nH]c12)-c1cncs1)C(F)(F)F

BDBM587741

Fc1cccc(c1CNC(=O)c1cc(cc2nc[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587784

Fc1cccc(c1CNC(=O)c1cc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587754

Fc1cccc(c1CNC(=O)c1cc(nc2cn[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587788

Fc1cccc(c1CNC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587773

Fc1cccc(c1CNC(=O)c1nc(cc2nc[nH]c12)-c1cncs1)C(F)(F)F

BDBM587783

Fc1cccc(c1CNC(=O)c1nc(nc2cc[nH]c12)-c1cncs1)C(F)(F)F

BDBM587791

Fc1cccc(c1CNC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F

BDBM587759

Fc1cccc(c1CNC(=O)c1nc(nc2ccsc12)-c1cncs1)C(F)(F)F

BDBM587789

Fc1cccc(c1CNC(=O)c1nc(nc2ccsc12)-n1ccnc1)C(F)(F)F

BDBM587786

Fc1cccc(c1CNC(=O)c1nc(nc2nc[nH]c12)-n1ccnc1)C(F)(F)F

BDBM50086414

Fc1ccccc1Nc1ncnc2ccc(cc12)-c1cncs1

BDBM50086405

N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50086404

N(c1ccc(cc1)-n1ccnc1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50086421

N(c1ccccc1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50086402

N(c1ccccn1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50086327

N(c1cccnc1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50086328

N(c1ccncc1)c1ncnc2ccc(cc12)-c1cncs1

BDBM50178766

NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21

BDBM50178769

NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21

BDBM50178767

NC(=O)C1CCCc2c1[nH]c1ccccc21

BDBM50086326

NC(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1

BDBM50086318

NC(=O)[C@@H]1CCC[C@H](C1)Nc1ncnc2ccc(cc12)-c1cncs1 |r|

BDBM50086319

NC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:3.2,wD:6.9,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50461140

NC(=O)c1c(ccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3ncco3)nc12)C(F)(F)F

BDBM50086353

NC(=O)c1ccc(Nc2ncnc3c(cc(cc23)-c2cncs2)C(F)(F)F)cc1

BDBM50086406

NC(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM50461150

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1CCCc2cn[nH]c2C1 |c:23|

BDBM50461147

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2[nH][nH]c(=O)c2C1 |c:23|

BDBM50461148

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2[nH]nc(N)c2C1 |c:23|

BDBM50461168

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2[nH]nc(c2C1)C(F)(F)F |c:23|

BDBM50461132

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CC1 |c:23|

BDBM50461156

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CCC1 |c:23|

BDBM50461171

NC(=O)c1cccc2C(NCc3c(F)cccc3C(F)(F)F)N=C(Nc12)N1Cc2c(N)n[nH]c2C11CCCC1 |c:23|

BDBM50461158

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)cc(NCc3cn[nH]c3)nc12

BDBM50461138

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3c[nH]cn3)nc12

BDBM50461134

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3ccn[nH]3)nc12

BDBM50461141

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3ccon3)nc12

BDBM50461137

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3cn[nH]c3)nc12

BDBM50461163

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3cnco3)nc12

BDBM50461167

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3nc[nH]n3)nc12

BDBM50461139

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3ncc[nH]3)nc12

BDBM50461159

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3nnn[nH]3)nc12

BDBM50461160

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(nc12)N1CCc2[nH]ncc2C1

BDBM50461143

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(nc12)N1CCc2cn[nH]c2C1

BDBM50461142

NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(nc12)N1Cc2cn[nH]c2C1

BDBM50086423

NC(=O)c1cnc2ccc(cc2c1Nc1ccc(F)c(Cl)c1)-c1cncs1

BDBM50086409

NS(=O)(=O)c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM587893

O=C(CN1CCOCC1)N1CCC(CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587914

O=C(NC1(CC1)c1ccccc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587817

O=C(NC1CCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587831

O=C(NC1CCCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587799

O=C(NC1CCCCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587833

O=C(NC1CCCCCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587766

O=C(NC1CCCOC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587816

O=C(NC1CCN(CC1)C1COC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587813

O=C(NC1CCNC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587794

O=C(NC1CCNCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587832

O=C(NC1CCOC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587802

O=C(NC1CCOCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587801

O=C(NC1CCS(=O)(=O)CC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587818

O=C(NCC1CCCCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587916

O=C(NC[C@H]1CC[C@@H](CC1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.3,wD:7.10,(-.78,2.99,;-.78,1.45,;.55,.68,;1.89,1.45,;3.22,.68,;4.55,1.45,;5.89,.68,;5.93,-.89,;4.55,-1.63,;3.22,-.86,;7.27,-1.66,;8.6,-2.43,;-2.12,.68,;-3.45,1.45,;-4.78,.68,;-4.78,-.86,;-3.45,-1.63,;-3.13,-3.14,;-1.6,-3.3,;-.97,-1.89,;-2.12,-.86,;-6.12,1.45,;-7.52,.82,;-8.55,1.97,;-7.78,3.3,;-6.28,2.98,)|

BDBM587819

O=C(NCc1ccccc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587768

O=C(N[C@@H]1CCCOC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM587767

O=C(N[C@H]1CCCOC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r|

BDBM587898

O=C(N[C@H]1CC[C@@H](CC1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(1.89,-1.09,;.55,-.32,;.55,1.22,;1.89,1.99,;1.89,3.53,;3.22,4.3,;4.6,3.56,;4.55,1.99,;3.22,1.22,;5.93,4.33,;7.27,5.1,;-.78,-1.09,;-2.12,-.32,;-3.45,-1.09,;-3.45,-2.63,;-2.12,-3.4,;-1.8,-4.91,;-.26,-5.07,;.36,-3.66,;-.78,-2.63,;-4.78,-.32,;-6.19,-.95,;-7.22,.2,;-6.45,1.53,;-4.94,1.21,)|

BDBM588022

O=C(N[C@H]1CC[C@@H](CC1)N1CC(C1)C#N)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.28,-2.02,;-1.06,-1.25,;-1.06,.29,;.28,1.06,;.28,2.6,;1.61,3.37,;2.94,2.6,;2.94,1.06,;1.61,.29,;4.28,3.37,;5.76,2.97,;6.16,4.46,;4.68,4.86,;7.5,5.23,;8.83,6,;-2.39,-2.02,;-3.73,-1.25,;-5.06,-2.02,;-5.06,-3.56,;-3.73,-4.33,;-3.4,-5.83,;-1.87,-6,;-1.25,-4.59,;-2.39,-3.56,;-6.39,-1.25,;-6.55,.28,;-8.06,.6,;-8.83,-.73,;-7.8,-1.87,)|

BDBM587928

O=C(N[C@H]1CC[C@@H](CC1)N1CCCS1(=O)=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(1.37,-2.22,;.03,-1.45,;.03,.09,;1.37,.86,;1.37,2.4,;2.7,3.17,;4.03,2.4,;4.03,.86,;2.7,.09,;5.37,3.17,;6.83,2.69,;7.74,3.94,;6.83,5.19,;5.37,4.71,;3.88,5.11,;5.77,6.2,;-1.3,-2.22,;-2.63,-1.45,;-3.97,-2.22,;-3.97,-3.76,;-2.63,-4.53,;-2.31,-6.04,;-.78,-6.2,;-.16,-4.79,;-1.3,-3.76,;-5.3,-1.45,;-6.71,-2.08,;-7.74,-.93,;-6.97,.4,;-5.46,.08,)|

BDBM587905

O=C(N[C@H]1CC[C@@H](CC1)N1CCOCC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(1.22,-1.86,;-.11,-1.09,;-.11,.45,;1.22,1.22,;1.22,2.76,;2.55,3.53,;3.89,2.76,;3.89,1.22,;2.55,.45,;5.22,3.53,;6.55,2.76,;7.89,3.53,;7.89,5.07,;6.55,5.84,;5.22,5.07,;-1.45,-1.86,;-2.78,-1.09,;-4.12,-1.86,;-4.12,-3.4,;-2.78,-4.17,;-2.46,-5.68,;-.93,-5.84,;-.3,-4.43,;-1.45,-3.4,;-5.45,-1.09,;-6.86,-1.72,;-7.89,-.57,;-7.12,.76,;-5.61,.44,)|

BDBM587984

O=C(N[C@H]1CC[C@@H](CC1)NC1COC1)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.94,-.71,;-.39,.06,;-.39,1.6,;.94,2.37,;.94,3.91,;2.28,4.68,;3.61,3.91,;3.61,2.37,;2.28,1.6,;4.94,4.68,;6.28,3.91,;6.68,2.43,;8.16,2.82,;7.76,4.31,;-1.72,-.71,;-3.06,.06,;-4.39,-.71,;-4.39,-2.25,;-3.06,-3.02,;-2.74,-4.52,;-1.21,-4.68,;-.58,-3.28,;-1.72,-2.25,;-5.73,.06,;-7.13,-.56,;-8.16,.58,;-7.39,1.92,;-5.89,1.6,)|

BDBM587967

O=C(N[C@H]1CC[C@@H](CC1)NC1COC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.94,-.71,;-.39,.06,;-.39,1.6,;.94,2.37,;.94,3.91,;2.28,4.68,;3.61,3.91,;3.61,2.37,;2.28,1.6,;4.94,4.68,;6.28,3.91,;6.68,2.43,;8.16,2.82,;7.76,4.31,;-1.72,-.71,;-3.06,.06,;-4.39,-.71,;-4.39,-2.25,;-3.06,-3.02,;-2.74,-4.52,;-1.21,-4.68,;-.58,-3.28,;-1.72,-2.25,;-5.73,.06,;-7.13,-.56,;-8.16,.58,;-7.39,1.92,;-5.89,1.6,)|

BDBM587966

O=C(N[C@H]1CC[C@@H](CC1)OCC#N)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.55,-1.09,;-.78,-.32,;-.78,1.22,;.55,1.99,;.55,3.53,;1.89,4.3,;3.22,3.53,;3.22,1.99,;1.89,1.22,;4.55,4.3,;5.89,3.53,;7.22,4.3,;8.55,5.07,;-2.12,-1.09,;-3.45,-.32,;-4.78,-1.09,;-4.78,-2.63,;-3.45,-3.4,;-3.13,-4.91,;-1.6,-5.07,;-.97,-3.66,;-2.12,-2.63,;-6.12,-.32,;-7.52,-.95,;-8.55,.2,;-7.78,1.53,;-6.28,1.21,)|

BDBM587845

O=C(N[C@H]1CC[C@@H](CC1)OCC#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.54,-1.09,;-.8,-.32,;-.8,1.22,;.54,1.99,;.54,3.53,;1.87,4.3,;3.2,3.53,;3.2,1.99,;1.87,1.22,;4.54,4.3,;5.87,3.53,;7.2,4.3,;8.54,5.07,;-2.13,-1.09,;-3.46,-.32,;-4.8,-1.09,;-4.8,-2.63,;-3.46,-3.4,;-3.14,-4.91,;-1.61,-5.07,;-.99,-3.66,;-2.13,-2.63,;-6.13,-.32,;-7.57,-.87,;-8.54,.32,;-7.7,1.62,;-6.21,1.22,)|

BDBM587965

O=C(N[C@H]1CC[C@@H](CC1)OCC#N)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(.55,-1.09,;-.78,-.32,;-.78,1.22,;.55,1.99,;.55,3.53,;1.89,4.3,;3.22,3.53,;3.22,1.99,;1.89,1.22,;4.55,4.3,;5.89,3.53,;7.22,4.3,;8.55,5.07,;-2.12,-1.09,;-3.45,-.32,;-4.78,-1.09,;-4.78,-2.63,;-3.45,-3.4,;-3.13,-4.91,;-1.6,-5.07,;-.97,-3.66,;-2.12,-2.63,;-6.12,-.32,;-6.28,1.21,;-7.78,1.53,;-8.55,.2,;-7.52,-.95,)|

BDBM587838

O=C(N[C@H]1CC[C@@H](CC1)OCCN1CCOCC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(-.78,-.71,;-2.12,.06,;-2.12,1.6,;-.78,2.37,;-.78,3.91,;.55,4.68,;1.89,3.91,;1.89,2.37,;.55,1.6,;3.22,4.68,;4.55,3.91,;5.89,4.68,;7.22,3.91,;7.22,2.37,;8.55,1.6,;9.89,2.37,;9.89,3.91,;8.55,4.68,;-3.45,-.71,;-4.78,.06,;-6.12,-.71,;-6.12,-2.25,;-4.78,-3.02,;-4.46,-4.52,;-2.93,-4.68,;-2.3,-3.28,;-3.45,-2.25,;-7.45,.06,;-8.86,-.56,;-9.89,.58,;-9.12,1.92,;-7.61,1.6,)|

BDBM587963

O=C(N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.9,(-.78,-.71,;-2.12,.06,;-2.12,1.6,;-.78,2.37,;-.78,3.91,;.55,4.68,;1.89,3.91,;1.89,2.37,;.55,1.6,;3.22,4.68,;4.55,3.91,;4.55,2.37,;5.89,1.6,;7.27,2.35,;7.22,3.91,;5.89,4.68,;8.6,1.58,;9.94,.81,;-3.45,-.71,;-4.78,.06,;-6.12,-.71,;-6.12,-2.25,;-4.78,-3.02,;-4.46,-4.52,;-2.93,-4.68,;-2.3,-3.28,;-3.45,-2.25,;-7.45,.06,;-8.86,-.56,;-9.89,.58,;-9.12,1.92,;-7.61,1.6,)|

BDBM587970

O=C(N[C@H]1CC[C@H](CC#N)CC1)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.6,(1.22,-.71,;-.11,.06,;-.11,1.6,;1.22,2.37,;1.22,3.91,;2.55,4.68,;3.89,3.91,;5.22,4.68,;5.22,6.22,;5.22,7.76,;3.89,2.37,;2.55,1.6,;-1.45,-.71,;-2.78,.06,;-4.12,-.71,;-4.12,-2.25,;-2.78,-3.02,;-2.46,-4.52,;-.93,-4.68,;-.3,-3.28,;-1.45,-2.25,;-5.45,.06,;-6.86,-.56,;-7.89,.58,;-7.12,1.92,;-5.61,1.6,)|

BDBM587935

O=C(N[C@H]1CC[C@H](CC#N)CC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:3.2,wD:6.6,(1.22,-.71,;-.11,.06,;-.11,1.6,;1.22,2.37,;1.22,3.91,;2.55,4.68,;3.89,3.91,;5.22,4.68,;5.22,6.22,;5.22,7.76,;3.89,2.37,;2.55,1.6,;-1.45,-.71,;-2.78,.06,;-4.12,-.71,;-4.12,-2.25,;-2.78,-3.02,;-2.46,-4.52,;-.93,-4.68,;-.3,-3.28,;-1.45,-2.25,;-5.45,.06,;-6.86,-.56,;-7.89,.58,;-7.12,1.92,;-5.61,1.6,)|

BDBM587919

O=C(N[C@H]1CC[C@H](CC1)N1CCOCC1)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wD:3.2,6.9,(-.78,1.6,;-.78,.06,;.55,-.71,;1.89,.06,;3.22,-.71,;4.55,.06,;4.55,1.6,;3.22,2.37,;1.89,1.6,;5.89,2.37,;7.22,1.6,;8.55,2.37,;8.55,3.91,;7.22,4.68,;5.89,3.91,;-2.12,-.71,;-3.45,.06,;-4.78,-.71,;-4.78,-2.25,;-3.45,-3.02,;-3.13,-4.52,;-1.6,-4.68,;-.97,-3.28,;-2.12,-2.25,;-6.12,.06,;-7.52,-.56,;-8.55,.58,;-7.78,1.92,;-6.28,1.6,)|

BDBM587827

O=C(Nc1cc[nH]n1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587981

O=C(Nc1ccc(OCCN2CC3(COC3)C2)nc1)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587954

O=C(Nc1ccc(OCCN2CCCC2)nc1)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587895

O=C(Nc1ccc(OCCN2CCOCC2)nc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587956

O=C(Nc1ccc(cc1)C#N)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587880

O=C(Nc1ccc(cc1)C#N)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587908

O=C(Nc1ccc(nc1)N1CCC(CC1)N1CCOCC1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587975

O=C(Nc1ccc(nc1)N1CCNCC1)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587987

O=C(Nc1ccc2CNCc2c1)c1nc(cc2cn[nH]c12)-n1ccnc1

BDBM587962

O=C(Nc1ccc2CNCc2c1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587823

O=C(Nc1ccccc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587822

O=C(Nc1ccccn1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587824

O=C(Nc1cccnc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587888

O=C(Nc1ccncc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587900

O=C(Nc1ccncn1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587912

O=C(Nc1ccon1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587839

O=C(Nc1cn[nH]c1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM587903

O=C(Nc1cncnc1)c1nc(nc2cc[nH]c12)-n1ccnc1

BDBM50086395

O=C1CCCN1[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wD:9.13,6.6,(8.31,4.3,;8.07,5.5,;9.1,6.65,;8.33,7.98,;6.82,7.66,;6.68,6.14,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086394

O=C1CCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:6.6,wD:9.13,(8.31,4.3,;8.07,5.5,;9.1,6.65,;8.33,7.98,;6.82,7.66,;6.68,6.14,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086403

O=C1CCCN1c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1

BDBM50086325

O=S1(=O)CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1

BDBM50086332

O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1

BDBM50086316

OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wD:6.9,3.2,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50086315

OC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |r,wU:3.2,wD:6.9,(6.69,7.37,;6.68,6.14,;7.75,5.52,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;2.68,5.39,;4.01,6.15,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM588014

OC1(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2ccsc12)-n1ccnc1 |r,wU:7.11,wD:4.4,(7.29,3.22,;5.97,4.1,;6.69,5.4,;5.19,5.37,;4.6,3.28,;3.25,4.03,;1.93,3.28,;1.9,1.75,;3.28,.97,;4.6,1.72,;.56,.92,;.51,-.58,;1.9,-1.44,;-.79,-1.39,;-2.14,-.66,;-3.48,-1.39,;-3.48,-2.94,;-2.14,-3.74,;-1.83,-5.22,;-.27,-5.4,;.35,-4.03,;-.82,-2.94,;-4.83,-.66,;-6.25,-1.23,;-7.29,-.09,;-6.51,1.23,;-4.99,.95,)|

BDBM587979

OC1(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:7.11,wD:4.4,(7.89,2.09,;6.55,2.86,;7.32,4.2,;5.78,4.2,;5.22,2.09,;3.89,2.86,;2.55,2.09,;2.55,.55,;3.89,-.22,;5.22,.55,;1.22,-.22,;-.11,.55,;-.11,2.09,;-1.45,-.22,;-2.78,.55,;-4.12,-.22,;-4.12,-1.76,;-2.78,-2.53,;-2.46,-4.03,;-.93,-4.2,;-.3,-2.79,;-1.45,-1.76,;-5.45,.55,;-6.86,-.07,;-7.89,1.07,;-7.12,2.4,;-5.61,2.08,)|

BDBM587989

OC1(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cn[nH]c12)-n1ccnc1 |r,wU:7.11,wD:4.4,(7.22,3.25,;5.89,4.02,;6.66,5.35,;5.12,5.35,;4.55,3.25,;3.22,4.02,;1.89,3.25,;1.89,1.71,;3.22,.94,;4.55,1.71,;.55,.94,;.55,-.6,;1.89,-1.37,;-.78,-1.37,;-2.12,-.6,;-3.45,-1.37,;-3.45,-2.91,;-2.12,-3.68,;-1.8,-5.19,;-.26,-5.35,;.36,-3.94,;-.78,-2.91,;-4.78,-.6,;-6.19,-1.23,;-7.22,-.09,;-6.45,1.25,;-4.94,.93,)|

BDBM50049400

OC1C(=O)C(Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1

BDBM50086320

OC1CCC(CC1)Nc1ncnc2ccc(cc12)-c1cncs1 |(6.41,5.99,;5.34,5.38,;4.01,6.15,;2.68,5.39,;2.67,3.85,;4,3.07,;5.34,3.84,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|

BDBM50347135

OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

BDBM50086390

OCCNc1ncnc2ccc(cc12)-c1cncs1

BDBM587951

OCC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:6.9,wD:3.2,(7.89,4.68,;6.55,3.91,;5.22,4.68,;3.89,3.91,;2.55,4.68,;1.22,3.91,;1.22,2.37,;2.55,1.6,;3.89,2.37,;-.11,1.6,;-.11,.06,;1.22,-.71,;-1.45,-.71,;-2.78,.06,;-4.12,-.71,;-4.12,-2.25,;-2.78,-3.02,;-2.46,-4.52,;-.93,-4.68,;-.3,-3.28,;-1.45,-2.25,;-5.45,.06,;-6.86,-.56,;-7.89,.58,;-7.12,1.92,;-5.61,1.6,)|

BDBM587976

OC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(cc2cn[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)|

BDBM587924

OC[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:5.8,wD:2.1,(7.22,3.91,;5.89,4.68,;4.55,3.91,;3.22,4.68,;1.89,3.91,;1.89,2.37,;3.22,1.6,;4.55,2.37,;.55,1.6,;.55,.06,;1.89,-.71,;-.78,-.71,;-2.12,.06,;-3.45,-.71,;-3.45,-2.25,;-2.12,-3.02,;-1.8,-4.52,;-.26,-4.68,;.36,-3.28,;-.78,-2.25,;-4.78,.06,;-6.19,-.56,;-7.22,.58,;-6.45,1.92,;-4.94,1.6,)|

BDBM587862

O[C@@]1(CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:1.27,wD:4.7,1.0,(4.55,12.74,;4.55,11.2,;4.55,9.66,;3.22,8.89,;1.89,9.66,;1.89,11.2,;3.22,11.97,;.55,8.89,;.55,7.35,;1.89,6.58,;-.78,6.58,;-2.12,7.35,;-3.45,6.58,;-3.45,5.04,;-2.12,4.27,;-1.8,2.77,;-.26,2.61,;.36,4.01,;-.78,5.04,;-4.78,7.35,;-6.19,6.73,;-7.22,7.87,;-6.45,9.2,;-4.94,8.88,;5.89,11.97,;7.22,11.2,;5.89,13.51,;7.22,12.74,)|

BDBM50600844

O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc2[nH]ccc12)-c1cncs1 |r,wU:4.7,wD:1.0,(-2.03,-6.7,;-2.03,-5.16,;-.7,-4.39,;-.7,-2.85,;-2.03,-2.08,;-3.37,-2.85,;-3.37,-4.39,;-2.03,-.54,;-.7,.23,;.63,-.54,;-.7,1.77,;.63,2.54,;.63,4.08,;-.7,4.85,;-2.03,4.08,;-3.5,4.56,;-4.4,3.31,;-3.5,2.06,;-2.03,2.54,;1.97,4.85,;3.37,4.22,;4.4,5.37,;3.63,6.7,;2.13,6.38,)|

BDBM587927

O[C@H]1CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.7,wD:1.0,(6.55,4.68,;5.22,3.91,;3.89,4.68,;2.55,3.91,;2.55,2.37,;3.89,1.6,;5.22,2.37,;1.22,1.6,;1.22,.06,;2.55,-.71,;-.11,-.71,;-1.45,.06,;-2.78,-.71,;-2.78,-2.25,;-1.45,-3.02,;-1.13,-4.52,;.4,-4.68,;1.03,-3.28,;-.11,-2.25,;-4.12,.06,;-5.52,-.56,;-6.55,.58,;-5.78,1.92,;-4.28,1.6,)|

BDBM587936

O[C@H]1CC[C@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1 |r,wU:4.7,1.0,(6.55,4.68,;5.22,3.91,;5.22,2.37,;3.89,1.6,;2.55,2.37,;2.55,3.91,;3.89,4.68,;1.22,1.6,;1.22,.06,;2.55,-.71,;-.11,-.71,;-1.45,.06,;-2.78,-.71,;-2.78,-2.25,;-1.45,-3.02,;-1.13,-4.52,;.4,-4.68,;1.03,-3.28,;-.11,-2.25,;-4.12,.06,;-5.52,-.56,;-6.55,.58,;-5.78,1.92,;-4.28,1.6,)|

BDBM23416

O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM587863

O[C@]1(CC[C@@H](CC1)NC(=O)c1nc(nc2cc[nH]c12)-n1ccnc1)C(F)(F)F |r,wU:1.0,wD:4.7,1.27,(4.55,12.74,;4.55,11.2,;4.55,9.66,;3.22,8.89,;1.89,9.66,;1.89,11.2,;3.22,11.97,;.55,8.89,;.55,7.35,;1.89,6.58,;-.78,6.58,;-2.12,7.35,;-3.45,6.58,;-3.45,5.04,;-2.12,4.27,;-1.8,2.77,;-.26,2.61,;.36,4.01,;-.78,5.04,;-4.78,7.35,;-6.19,6.73,;-7.22,7.87,;-6.45,9.2,;-4.94,8.88,;5.89,11.97,;7.22,11.2,;5.89,13.51,;7.22,12.74,)|

BDBM15236

Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM7459

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1

BDBM50045936

Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1

BDBM50326997

Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1cc(O)c(O)c(O)c1

BDBM50241503

Oc1cc2oc(c(O)cc2c(=[OH+])c1)-c1ccc(O)c(O)c1

BDBM50347144

Oc1cc2oc(ccc2c(=[OH+])c1)-c1ccc(O)c(O)c1

BDBM23926

Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1

BDBM50326998

Oc1ccc(cc1)-c1oc2cc(O)cc(=[OH+])c2cc1O

BDBM50347143

Oc1ccc(cc1O)-c1oc2cc(=[OH+])ccc2cc1O

BDBM50347139

Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(=[OH+])c2cc1O

BDBM23408

Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O

BDBM50033767

Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

BDBM50027374

[H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(Br)nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|

BDBM50027369

[H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(N)nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|

BDBM50027370

[H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3c(N=[N+]=[N-])nc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|

BDBM50027373

[H][C@]12COP(O)(=O)OP(O)(=O)OCCCCn3cnc4c3ncn(c4=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|

BDBM50027372

[H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(c(Br)nc4c3=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|

BDBM50027371

[H][C@]12COP(O)(=O)OP(O)(=O)OC[C@@]3([H])O[C@]([H])([C@H](O)[C@@H]3O)n3cnc4n(cnc4c3=O)[C@]([H])(O1)[C@H](O)[C@@H]2O |r|