SMILES for Type-1 angiotensin II receptor A/B

628 SMILES Strings for Type-1 angiotensin II receptor A/B

Compound Name

SMILES String

N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,9.8,31.31,1.0,wD:20.19,27.44,63.66,(4.96,9.59,;6.07,9.07,;7.34,9.95,;7.21,11.48,;6.1,12.01,;8.22,12.19,;6.2,7.53,;7.31,7.01,;4.93,6.66,;5.06,5.12,;6.45,4.47,;7.72,5.35,;9.11,4.69,;10.38,5.57,;11.77,4.91,;12.78,5.62,;11.87,3.69,;3.79,4.24,;2.68,4.77,;3.92,2.71,;2.65,1.83,;1.49,2.85,;,3.22,;-1.5,2.85,;-2.65,1.83,;-3.19,.39,;-3.01,-1.14,;-2.13,-2.4,;-.77,-3.12,;.77,-3.12,;1.06,-4.32,;2.13,-2.4,;3.16,-3.57,;4.67,-3.26,;5.69,-4.41,;7.19,-4.11,;7.68,-2.65,;8.89,-2.4,;6.66,-1.5,;5.15,-1.8,;3.01,-1.14,;3.19,.39,;4.41,.54,;-3.16,-3.57,;-4.37,-3.32,;-2.67,-5.03,;-3.69,-6.18,;-3.2,-7.64,;-1.69,-7.95,;-1.07,-9.35,;.46,-9.17,;.76,-7.66,;-.58,-6.9,;-5.2,-5.88,;-5.59,-4.71,;-6.21,-7.04,;-5.86,-8.52,;-7.18,-9.31,;-8.34,-8.29,;-7.73,-6.88,;-8.51,-5.55,;-9.74,-5.56,;-7.74,-4.21,;-8.52,-2.88,;-7.75,-1.54,;-8.52,-.21,;-7.76,1.12,;-8.54,2.46,;-10.08,2.45,;-10.84,1.11,;-10.06,-.22,;-10.06,-2.88,;-10.67,-3.95,;-10.68,-1.82,)|

BDBM50228194

CC(=O)NCSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:54.54,43.43,31.30,7.6,wD:67.70,71.73,22.22,11.11,(7.65,-15.26,;6.59,-14.64,;5.52,-15.25,;6.6,-13.1,;7.94,-12.34,;7.94,-10.8,;9.28,-10.03,;9.29,-8.49,;10.63,-7.73,;11.96,-8.5,;11.96,-9.74,;13.3,-7.74,;13.31,-6.2,;14.65,-5.44,;14.66,-3.9,;16,-3.14,;16.01,-1.59,;17.08,-.98,;14.94,-.97,;14.63,-8.52,;15.97,-7.75,;15.97,-6.52,;17.3,-8.53,;17.29,-9.76,;18.64,-7.76,;19.97,-8.54,;19.96,-9.57,;21.04,-7.93,;7.96,-7.71,;7.07,-8.22,;7.97,-6.17,;6.64,-5.39,;5.3,-6.16,;5.3,-7.7,;3.96,-8.46,;3.94,-10,;5.27,-10.78,;5.27,-12.01,;6.61,-10.01,;6.63,-8.47,;6.65,-3.85,;5.59,-3.23,;7.99,-3.09,;8,-1.54,;6.66,-.77,;5.33,-1.54,;4,-.76,;2.66,-1.53,;1.33,-.75,;1.33,.48,;.26,-1.36,;9.34,-.78,;10.4,-1.4,;9.35,.76,;10.68,1.52,;10.69,3.06,;9.36,3.84,;9.23,5.36,;7.72,5.68,;6.95,4.35,;7.97,3.21,;12.02,.75,;12.01,-.48,;13.35,1.51,;14.74,.87,;15.77,2.01,;15.01,3.35,;13.5,3.03,;12.35,4.06,;11.19,3.67,;12.67,5.56,;11.52,6.59,;11.83,8.1,;10.69,9.12,;11,10.63,;9.85,11.66,;8.38,11.17,;8.07,9.66,;9.22,8.64,;10.06,6.11,;9.8,4.9,;9.14,6.93,)|

BDBM50228195

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|

BDBM50452851

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |wU:8.7,4.4,15.16,53.55,2.1,wD:32.34,25.26,36.38,(-13.57,-1.73,;-12.05,-1.44,;-11.05,-2.61,;-11.56,-4.06,;-9.54,-2.32,;-8.53,-3.49,;-7.02,-3.2,;-6.51,-1.75,;-6.01,-4.37,;-6.36,-5.86,;-5.05,-6.66,;-3.88,-5.66,;-4.48,-4.24,;-3.68,-2.92,;-4.42,-1.57,;-2.14,-2.95,;-1.02,-4.01,;-1.37,-5.51,;-.36,-6.68,;-1.16,-7.99,;-2.66,-7.64,;-2.79,-6.1,;-1.34,-1.64,;.2,-1.67,;.94,-3.02,;1,-.35,;.23,.98,;1,2.31,;.23,3.65,;1,4.98,;2.54,4.98,;3.31,3.65,;4.85,3.65,;5.62,4.98,;7.16,4.98,;7.93,3.65,;7.93,6.31,;7.16,7.65,;7.93,8.98,;7.16,10.31,;7.93,11.65,;7.16,12.98,;7.93,14.32,;5.62,12.98,;9.47,6.31,;10.24,7.65,;9.47,8.98,;11.78,7.65,;12.55,8.98,;14.09,8.98,;5.62,2.31,;7.16,2.35,;4.84,.82,;5.16,-.69,;6.57,-1.31,;6.73,-2.85,;8.14,-3.47,;8.3,-5,;7.05,-5.91,;7.21,-7.44,;5.64,-5.28,;5.48,-3.75,;3.83,-1.46,;3.67,-2.99,;2.68,-.43,;-9.03,-.87,;-7.51,-.58,;-10.03,.3,)|

BDBM50030815

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|

BDBM50228305

CC(=O)NCSC[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:67.70,54.54,71.73,22.22,43.44,11.11,wD:31.31,7.6,(9.09,5.53,;8.03,6.14,;8.03,7.37,;6.69,5.38,;6.69,3.84,;5.36,3.07,;5.35,1.53,;4.01,.77,;2.68,1.54,;1.34,.77,;1.34,-.46,;.01,1.54,;.01,3.08,;-1.32,3.86,;-1.32,5.39,;-2.66,6.16,;-2.66,7.7,;-3.72,8.32,;-1.59,8.32,;-1.33,.78,;-2.66,1.55,;-2.66,2.78,;-4,.78,;-4,-.45,;-5.33,1.56,;-6.66,.79,;-6.66,-.44,;-7.73,1.41,;4,-.77,;5.07,-1.39,;2.67,-1.54,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;6.66,-3.86,;8,-3.08,;8,-1.54,;9.33,-.77,;10.39,-1.39,;9.33,.46,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.52,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;2.37,-11.52,;1.46,-13.75,;,-13.27,;-1.15,-14.29,;-2.61,-13.8,;-3.77,-14.82,;-5.23,-14.33,;-5.54,-12.82,;-4.38,-11.8,;-2.92,-12.29,;-.31,-11.76,;.61,-10.94,;-1.48,-11.37,)|

BDBM50228309

N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.62,45.46,9.8,30.30,1.0,wD:26.43,20.19,62.65,(5.51,9.04,;6.57,8.43,;7.91,9.21,;7.91,10.75,;6.84,11.36,;8.97,11.36,;6.57,6.89,;7.64,6.28,;5.24,6.12,;5.24,4.58,;6.58,3.82,;7.91,4.59,;9.25,3.82,;10.58,4.59,;11.92,3.83,;12.99,4.45,;11.93,2.6,;3.91,3.81,;2.84,4.42,;3.91,2.27,;2.58,1.49,;1.48,2.58,;,2.98,;-1.49,2.58,;-2.58,1.49,;-2.98,,;-2.58,-1.48,;-1.49,-2.58,;,-2.97,;,-4.21,;1.48,-2.58,;2.26,-3.92,;1.48,-5.25,;2.25,-6.59,;1.48,-7.92,;-.06,-7.91,;-.68,-8.98,;-.83,-6.57,;-.06,-5.24,;2.58,-1.48,;2.97,,;4.21,,;-3.92,-2.26,;-4.99,-1.65,;-3.91,-3.8,;-5.25,-4.58,;-5.24,-6.12,;-3.91,-6.89,;-3.76,-8.41,;-2.26,-8.72,;-1.49,-7.39,;-2.52,-6.25,;-6.58,-3.81,;-6.59,-2.58,;-7.91,-4.59,;-8.05,-6.1,;-9.55,-6.43,;-10.33,-5.1,;-9.3,-3.96,;-9.62,-2.45,;-10.79,-2.06,;-8.47,-1.42,;-8.78,.09,;-7.63,1.11,;-7.94,2.62,;-6.8,3.65,;-7.11,5.15,;-8.58,5.63,;-9.72,4.6,;-9.41,3.1,;-10.25,.57,;-11.16,-.25,;-10.49,1.78,)|

BDBM50228310

CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.61,45.45,39.39,27.26,18.18,7.7,wD:3.3,62.64,(-2.42,-5.99,;-1.35,-5.38,;-.29,-6,;-1.34,-3.84,;-2.68,-3.06,;-4.01,-3.83,;-4.02,-5.06,;-5.35,-3.05,;-5.34,-1.51,;-6.67,-.74,;-6.67,.8,;-8,1.57,;-8,3.11,;-9.06,3.73,;-6.93,3.73,;-6.68,-3.82,;-8.01,-3.05,;-8.01,-1.81,;-9.35,-3.81,;-9.35,-5.04,;-10.68,-3.04,;-12.02,-3.8,;-12.02,-5.03,;-13.08,-3.18,;-.01,-3.07,;-0,-1.84,;1.33,-3.85,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.66,-.78,;6.67,.76,;7.74,1.37,;5.34,1.54,;4,.77,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;6.66,-4.17,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.53,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;1.69,-13.55,;2.31,-11.22,;.85,-10.74,;.53,-9.23,;-.92,-8.74,;-1.24,-7.23,;-2.7,-6.75,;-3.85,-7.77,;-3.54,-9.28,;-2.07,-9.76,;-.31,-11.76,;-.06,-12.96,;-1.48,-11.37,)|

BDBM50228308

CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:44.46,8.8,61.65,48.49,wD:65.68,32.32,23.23,12.12,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.71,2.19,;-.86,3.37,;-2.49,1.14,;-3.89,1.78,;-4.04,3.32,;-3.03,4.03,;-5.44,3.96,;-6.7,3.07,;-8.09,3.72,;-9.35,2.83,;-10.75,3.47,;-12.01,2.58,;-13.13,3.1,;-11.9,1.36,;-5.58,5.49,;-6.98,6.14,;-7.98,5.42,;-7.12,7.67,;-6.12,8.38,;-8.53,8.31,;-8.67,9.84,;-7.67,10.56,;-9.79,10.36,;-2.71,-.39,;-3.93,-.56,;-2.07,-1.79,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.77,-3.35,;-5.27,-3.7,;-5.71,-5.18,;-6.9,-5.47,;-4.65,-6.3,;-3.15,-5.94,;.77,-2.62,;1.12,-3.8,;2.06,-1.79,;2.7,-.39,;4.24,-.6,;4.7,-1.75,;5.19,.61,;6.71,.39,;7.66,1.6,;7.09,3.03,;7.91,4.32,;6.93,5.5,;5.5,4.92,;5.6,3.39,;7.29,-1.04,;6.53,-2.01,;8.82,-1.25,;9.86,-.14,;11.25,-.81,;11.04,-2.34,;9.52,-2.61,;8.83,-3.98,;9.52,-5.01,;7.3,-4.08,;6.61,-5.46,;5.07,-5.56,;4.39,-6.94,;2.85,-7.03,;2.16,-8.42,;3.02,-9.7,;4.56,-9.6,;5.24,-8.22,;7.46,-6.75,;8.69,-6.67,;6.91,-7.85,)|

BDBM50228312

N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.62,45.46,9.8,30.30,1.0,wD:20.19,26.43,62.65,(5.51,9.04,;6.57,8.43,;7.91,9.21,;7.91,10.75,;6.84,11.36,;8.97,11.36,;6.57,6.89,;7.64,6.28,;5.24,6.12,;5.24,4.58,;6.58,3.82,;7.91,4.59,;9.25,3.82,;10.58,4.59,;11.92,3.83,;12.99,4.45,;11.93,2.6,;3.91,3.81,;2.84,4.42,;3.91,2.27,;2.58,1.49,;1.48,2.58,;,2.98,;-1.49,2.58,;-2.58,1.49,;-2.98,,;-2.58,-1.48,;-1.49,-2.58,;,-2.97,;,-4.21,;1.48,-2.58,;2.26,-3.92,;1.48,-5.25,;2.25,-6.59,;1.48,-7.92,;-.06,-7.91,;-.68,-8.98,;-.83,-6.57,;-.06,-5.24,;2.58,-1.48,;2.97,,;4.21,,;-3.92,-2.26,;-4.99,-1.65,;-3.91,-3.8,;-5.25,-4.58,;-5.24,-6.12,;-3.91,-6.89,;-3.76,-8.41,;-2.26,-8.72,;-1.49,-7.39,;-2.52,-6.25,;-6.58,-3.81,;-6.59,-2.58,;-7.91,-4.59,;-8.05,-6.1,;-9.55,-6.43,;-10.33,-5.1,;-9.3,-3.96,;-9.62,-2.45,;-10.79,-2.06,;-8.47,-1.42,;-8.78,.09,;-7.63,1.11,;-7.94,2.62,;-6.8,3.65,;-7.11,5.15,;-8.58,5.63,;-9.72,4.6,;-9.41,3.1,;-10.25,.57,;-11.16,-.25,;-10.49,1.78,)|

BDBM50228271

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:63.65,8.8,20.21,2.2,wD:59.62,4.4,46.46,37.38,26.27,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-1.34,-5.4,;-2.41,-6.02,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|

BDBM50228196

N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:57.61,44.45,9.8,29.29,1.0,wD:25.42,20.19,61.64,(6.12,8.38,;7.12,7.67,;8.53,8.31,;8.67,9.85,;7.67,10.56,;9.79,10.36,;6.98,6.14,;7.98,5.42,;5.58,5.49,;5.44,3.96,;6.7,3.07,;8.1,3.72,;9.35,2.83,;10.75,3.47,;12.01,2.58,;13.13,3.1,;11.9,1.36,;4.03,3.32,;3.03,4.03,;3.89,1.78,;2.49,1.14,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-.77,-2.62,;-1.12,-3.8,;.77,-2.62,;1.2,-4.11,;.14,-5.22,;.56,-6.7,;-.5,-7.81,;-2,-7.45,;-2.85,-8.33,;-2.43,-5.96,;-1.36,-4.85,;2.06,-1.79,;2.7,-.39,;3.92,-.56,;-4.24,-.61,;-5,.36,;-4.81,-2.04,;-6.33,-2.26,;-6.9,-3.7,;-5.95,-4.91,;-6.38,-6.37,;-5.1,-7.23,;-3.89,-6.27,;-4.43,-4.83,;-7.29,-1.06,;-6.83,.09,;-8.81,-1.28,;-9.5,-2.64,;-11.02,-2.39,;-11.25,-.86,;-9.87,-.18,;-9.6,1.33,;-10.54,2.13,;-8.15,1.86,;-7.88,3.38,;-6.44,3.91,;-6.17,5.42,;-4.72,5.95,;-4.45,7.46,;-5.64,8.45,;-7.08,7.92,;-7.35,6.41,;-9.06,4.37,;-10.22,3.96,;-8.84,5.58,)|

BDBM50228197

N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:57.61,25.42,44.45,9.8,29.29,1.0,wD:20.19,61.64,(6.12,8.38,;7.12,7.67,;8.53,8.31,;8.67,9.85,;7.67,10.56,;9.79,10.36,;6.98,6.14,;7.98,5.42,;5.58,5.49,;5.44,3.96,;6.7,3.07,;8.1,3.72,;9.35,2.83,;10.75,3.47,;12.01,2.58,;13.13,3.1,;11.9,1.36,;4.03,3.32,;3.03,4.03,;3.89,1.78,;2.49,1.14,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-.77,-2.62,;-1.12,-3.8,;.77,-2.62,;1.2,-4.11,;.14,-5.22,;.56,-6.7,;-.5,-7.81,;-2,-7.45,;-2.85,-8.33,;-2.43,-5.96,;-1.36,-4.85,;2.06,-1.79,;2.7,-.39,;3.92,-.56,;-4.24,-.61,;-5,.36,;-4.81,-2.04,;-6.33,-2.26,;-6.9,-3.7,;-5.95,-4.91,;-6.38,-6.37,;-5.1,-7.23,;-3.89,-6.27,;-4.43,-4.83,;-7.29,-1.06,;-6.83,.09,;-8.81,-1.28,;-9.5,-2.64,;-11.02,-2.39,;-11.25,-.86,;-9.87,-.18,;-9.6,1.33,;-10.54,2.13,;-8.15,1.86,;-7.88,3.38,;-6.44,3.91,;-6.17,5.42,;-4.72,5.95,;-4.45,7.46,;-5.64,8.45,;-7.08,7.92,;-7.35,6.41,;-9.06,4.37,;-10.22,3.96,;-8.84,5.58,)|

BDBM50228314

CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,10.10,wD:22.24,6.44,63.66,37.39,26.28,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-3,-2.59,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.15,-5.94,;-4.65,-6.3,;-5.71,-5.18,;-6.9,-5.47,;-5.27,-3.7,;-3.77,-3.35,;.77,-2.62,;2.06,-1.79,;2.99,-2.59,;2.7,-.39,;4.23,-.61,;4.8,-2.04,;4.04,-3.01,;6.33,-2.26,;7.29,-1.06,;8.81,-1.28,;9.77,-.07,;11.29,-.3,;12.25,.91,;13.47,.73,;11.79,2.06,;6.9,-3.7,;8.43,-3.92,;9.19,-2.95,;9,-5.35,;8.23,-6.31,;10.52,-5.57,;11.09,-7,;10.33,-7.97,;12.31,-7.18,;-3.9,1.78,;-4.02,3,;-5.15,.88,;-6.55,1.52,;-7.8,.62,;-7.66,-.91,;-8.81,-1.91,;-8.19,-3.32,;-6.66,-3.17,;-6.33,-1.67,;-6.7,3.05,;-5.71,3.77,;-8.11,3.69,;-9.42,2.91,;-10.56,3.95,;-9.93,5.35,;-8.4,5.18,;-7.35,6.31,;-7.72,7.49,;-5.86,5.97,;-4.81,7.1,;-3.31,6.76,;-2.26,7.89,;-.76,7.55,;.29,8.68,;-.17,10.16,;-1.67,10.49,;-2.72,9.36,;-5.26,8.57,;-6.46,8.85,;-4.42,9.48,)|

BDBM50228315

CC(=O)NCSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSCNC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:54.54,31.30,7.6,wD:67.70,43.43,71.73,22.22,11.11,(7.65,-15.26,;6.59,-14.64,;5.52,-15.25,;6.6,-13.1,;7.94,-12.34,;7.94,-10.8,;9.28,-10.03,;9.29,-8.49,;10.63,-7.73,;11.96,-8.5,;11.96,-9.74,;13.3,-7.74,;13.31,-6.2,;14.65,-5.44,;14.66,-3.9,;16,-3.14,;16.01,-1.59,;17.08,-.98,;14.94,-.97,;14.63,-8.52,;15.97,-7.75,;15.97,-6.52,;17.3,-8.53,;17.29,-9.76,;18.64,-7.76,;19.97,-8.54,;19.96,-9.57,;21.04,-7.93,;7.96,-7.71,;7.07,-8.22,;7.97,-6.17,;6.64,-5.39,;5.3,-6.16,;5.3,-7.7,;3.96,-8.46,;3.94,-10,;5.27,-10.78,;5.27,-12.01,;6.61,-10.01,;6.63,-8.47,;6.65,-3.85,;5.59,-3.23,;7.99,-3.09,;8,-1.54,;6.66,-.77,;5.33,-1.54,;4,-.76,;2.66,-1.53,;1.33,-.75,;1.33,.48,;.26,-1.36,;9.34,-.78,;10.4,-1.4,;9.35,.76,;10.68,1.52,;10.69,3.06,;9.36,3.84,;9.23,5.36,;7.72,5.68,;6.95,4.35,;7.97,3.21,;12.02,.75,;12.01,-.48,;13.35,1.51,;14.74,.87,;15.77,2.01,;15.01,3.35,;13.5,3.03,;12.35,4.06,;11.19,3.67,;12.67,5.56,;11.52,6.59,;11.83,8.1,;10.69,9.12,;11,10.63,;9.85,11.66,;8.38,11.17,;8.07,9.66,;9.22,8.64,;10.06,6.11,;9.8,4.9,;9.14,6.93,)|

BDBM50228335

CC1(C)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:42.44,59.63,46.47,6.6,wD:63.66,30.30,21.21,10.10,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-3.89,1.78,;-4.04,3.32,;-3.03,4.03,;-5.44,3.96,;-6.69,3.07,;-8.09,3.72,;-9.35,2.83,;-10.75,3.47,;-12.01,2.58,;-13.13,3.1,;-11.9,1.36,;-5.58,5.49,;-6.98,6.13,;-7.98,5.42,;-7.12,7.67,;-6.12,8.38,;-8.53,8.31,;-8.67,9.84,;-7.67,10.56,;-9.79,10.36,;-2.71,-.39,;-3.93,-.56,;-2.07,-1.79,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.77,-3.35,;-5.27,-3.7,;-5.71,-5.18,;-6.9,-5.47,;-4.65,-6.3,;-3.15,-5.94,;.77,-2.62,;1.12,-3.8,;2.06,-1.79,;2.7,-.39,;4.23,-.6,;4.7,-1.75,;5.18,.61,;6.71,.39,;7.66,1.6,;7.09,3.03,;7.91,4.32,;6.93,5.5,;5.5,4.92,;5.6,3.39,;7.29,-1.04,;6.53,-2.01,;8.82,-1.25,;9.86,-.14,;11.25,-.81,;11.04,-2.34,;9.52,-2.61,;8.83,-3.98,;9.51,-5.01,;7.3,-4.08,;6.61,-5.46,;5.07,-5.56,;4.38,-6.93,;2.85,-7.03,;2.16,-8.41,;3.02,-9.7,;4.56,-9.6,;5.24,-8.22,;7.46,-6.75,;8.69,-6.67,;6.91,-7.85,)|

BDBM50469592

CCCCc1nc2cccnc2n1CCCCCO\C(O)=C1\C(C(C(=O)Nc2cccnc2)=C(C)N=C1C(C)C)c1ccccc1Cl |c:38,t:35|

BDBM50469593

CCCCc1nc2cccnc2n1-c1ccc(CCO\C(O)=C2\C(C(C(=O)Nc3cccnc3)=C(C)N=C2C(C)C)c2ccccc2Cl)cc1 |c:39,t:36|

BDBM50469594

CCCCc1nc2cccnc2n1CCCCCCCO\C(O)=C1\C(C(C(=O)Nc2cccnc2)=C(C)N=C1C(C)C)c1ccccc1Cl |c:40,t:37|

BDBM50469595

CCCCc1nc2cccnc2n1-c1ccc(CCO\C(O)=C2\C(C(C(=O)Nc3ccccn3)=C(C)N=C2C(C)C)c2ccccc2Cl)cc1 |c:39,t:36|

BDBM50469596

CCCCc1nc2cccnc2n1CCCCCCO\C(O)=C1\C(C(C(=O)Nc2cccnc2)=C(C)N=C1C(C)C)c1ccccc1Cl |c:39,t:36|

BDBM50469597

CCCCc1nc2cccnc2n1-c1ccc(CCO\C(O)=C2\C(C(C(=O)Nc3ccccn3)=C(C)N=C2C)c2ccccc2Cl)cc1 |c:39,t:36|

BDBM50282264

CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|

BDBM50469607

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)[nH]o1 |t:4|

BDBM50469608

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-n1oc(=O)[nH]c1=O |t:4|

BDBM50469609

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C1=NOC(=O)C1 |t:4,31|

BDBM50042235

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|

BDBM50469610

CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1n[nH]c(O)n1 |t:4|

BDBM50469611

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1noc(O)n1 |t:4|

BDBM50230882

CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50469612

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnc(O)o1 |t:4|

BDBM50469613

CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1noc(O)n1 |t:4|

BDBM50469614

CCCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nn[nH]n1

BDBM50469615

Cc1cc(C)c2nc(C3CC3)n(C3CCc4cc(ccc34)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50009718

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50282484

CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1

BDBM50469616

CCc1nc2c(C)cc(C)nc2n1C1CCCc2cc(ccc12)-c1ccccc1-c1nn[nH]n1

BDBM50282478

CCCCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1

BDBM50469619

CCc1nc2c(C)cc(C)nc2n1C1CCCCc2cc(ccc12)-c1ccccc1-c1nn[nH]n1

BDBM50469620

CCc1nc2c(C)ccnc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nn[nH]n1

BDBM50469621

CC(C)c1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nn[nH]n1

BDBM50470061

CC1Cc2c(C)nc(C)nc2N(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)C1=O

BDBM50470062

Cc1nc(CO)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50040439

Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1

BDBM50470063

CCCc1nc(C)nc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc12

BDBM50470064

Cc1nc2N(Cc3ccc(nc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc2c(n1)C(F)(F)F

BDBM50470065

CC(C)c1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470066

Cc1nc(C)c2CCC(=O)N(Cc3ccc(nc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470067

CC(C)c1nc(C)nc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc12

BDBM50470068

CCc1nc(C)nc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc12

BDBM50470069

Cc1nc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc2c(n1)C(F)(F)F

BDBM50470070

Cc1nc(C)c2CCCN(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470071

CCc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470072

Cc1nc(C=O)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM82258

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50470073

CCCc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470074

Cc1nc(CO)nc2N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)C(=O)CCc12

BDBM50470075

Cc1nc(C)c2CC(C)(C)C(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470076

Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3C([O-])=O)c2n1

BDBM50470077

Cc1nc(C)c2CCC(=O)N(Cc3ccc(cn3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50470206

CCCCc1nc(SCSC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470207

CCCCc1nc(SC)c(C(=O)NC(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470208

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC

BDBM50470209

CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(nc(SC)c2C(O)=O)C2CC2)cc1

BDBM50470210

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O

BDBM50470211

CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)S(C)(=O)=O

BDBM50470212

CCCCc1nc(SC)c(C(=O)OC(C)(C)C)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470213

CCCCc1nc(SC)cn1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50213569

CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1

BDBM50470214

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)C(F)(F)F

BDBM50470215

CCCCc1nc(SC)c(CO)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470216

CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc(SC)c2C(O)=O)cc1

BDBM50470217

CCCCc1nc(SC(F)(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470218

CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc(SC)c2C(O)=O)cc1

BDBM50470219

CCCCc1nc(SCC(F)(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470220

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(=O)NC(=O)NCCC

BDBM50470221

CCCCc1nc(SC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470222

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC=C

BDBM50470223

CCCCc1nc(Sc2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470224

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC

BDBM50213556

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC

BDBM50470225

CCCCc1nc(SCCCO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470226

CCCCc1nc(Sc2cccs2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470227

CCCCc1nc(SC)c(C(=O)NC(C(C)CC)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470228

CCCCc1nc(SC)c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470229

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1

BDBM50470230

CCCCc1nc(SC)c(C(=O)NCC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50031530

CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470231

CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470232

CCCNC(=O)N(C)S(=O)(=O)c1ccccc1-c1ccc(Cn2c(nc(SC)c2C(O)=O)C(=O)OCC)cc1

BDBM50470233

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1

BDBM50470234

CCCCc1nc(SCCCCO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50031537

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470235

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C

BDBM50470236

CCCCc1nc(SC)c(C(=O)OCc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470237

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)=O

BDBM50470238

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NS(=O)(=O)CC

BDBM50470239

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1

BDBM50470240

CCCCc1nc(SC)c(C(=O)NS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470241

CCCCc1nc(SCCCCOC(C)=O)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470242

[#6]-[#6]-[#6]-[#6]-c1nc(-[#16]-[#6])c(-[#6](-[#8])=O)n1-[#6]-c1ccc(cc1)-c1ccccc1S(=O)(=O)[#7]-[#6](=O)-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]

BDBM50470243

CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470244

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)N(CC)CC

BDBM50470245

CCCCc1nc(SC)c(C(=O)NCC(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470246

CCCCc1nc(SC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470247

CCCCc1nc([S+](C)[O-])c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470248

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccnc1

BDBM50470249

CCCCc1nc(SCC(F)(F)C(F)(F)CO)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50031491

CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1

BDBM50213557

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC

BDBM50470250

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC

BDBM50470251

CCCCc1nc(C(O)=O)c(SC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC

BDBM50470252

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)\N=C(\S)NCCC

BDBM50470306

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(C(=O)OC)[n+]([O-])n1

BDBM50470307

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nccc[n+]1[O-]

BDBM50470308

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cnccc1C(=O)OC

BDBM50470309

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cnc[n+]([O-])c1

BDBM50470310

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(ccc(C)[n+]1[O-])C(=O)OC

BDBM50470311

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cncnc1

BDBM50470312

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ncccn1

BDBM50470313

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(C)nn1

BDBM50470314

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cncc[n+]1[O-]

BDBM50470315

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)cc(C)c1C(=O)OC

BDBM50470316

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cnc(nc1C)C(=O)OC

BDBM50470317

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccc(n1)C(=O)OC

BDBM50470318

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(C)n[n+]1[O-]

BDBM50470319

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(C)[n+]([O-])n1

BDBM50470320

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ncccc1C(=O)OC

BDBM50470321

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)cnc1C

BDBM50470322

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)ccc1C(=O)OC

BDBM50470323

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(C)ncc(C)[n+]1[O-]

BDBM50470324

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nccnc1C(=O)OC

BDBM50470325

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cc(cc(C)n1)C(=O)OC

BDBM50470326

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(C(=O)OC)c(C)cc(C)[n+]1[O-]

BDBM50470327

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cc(c[n+]([O-])c1)C(=O)OC

BDBM50470328

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)c[n+]([O-])c1C

BDBM50470329

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccnc1C(=O)OC

BDBM50470330

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(cn1)C(=O)OC

BDBM50470331

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cc(cc(C)[n+]1[O-])C(=O)OC

BDBM50470332

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ncccc1OC

BDBM50470333

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cnccn1

BDBM50470334

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cncc(c1)C(=O)OC

BDBM50470335

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(OC)ccc(C)[n+]1[O-]

BDBM50470336

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccc(OC)n1

BDBM50470337

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(ccc[n+]1[O-])C(=O)OC

BDBM50470338

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(c[n+]1[O-])C(=O)OC

BDBM50470339

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)ccc1OC

BDBM50470340

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(nn1)C(=O)OC

BDBM50471552

[H][C@@]1(Cc2ccc(O)cc2)C(=O)N(Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc12)[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:61.66,48.50,20.28,41.44,1.0,wD:40.47,65.69,31.32,(12.21,-.94,;13.7,-1.36,;13.7,.18,;15.1,.83,;16.34,-.05,;17.74,.58,;17.9,2.12,;19.3,2.75,;16.62,3,;15.24,2.35,;15.06,-2.11,;16.39,-1.34,;15.06,-3.65,;13.73,-4.42,;12.4,-3.67,;11.09,-4.44,;9.74,-3.67,;8.38,-4.49,;7.05,-5.26,;7.05,-6.77,;5.7,-4.49,;5.7,-2.95,;7.05,-2.18,;7.05,-.64,;8.38,.13,;8.38,1.67,;9.71,2.44,;7.05,2.44,;4.37,-5.26,;3.04,-4.49,;3.04,-2.95,;1.71,-5.26,;.38,-4.49,;1.71,-6.77,;.38,-7.57,;.38,-9.11,;-.97,-6.77,;9.74,-2.15,;11.04,-1.38,;12.4,-2.13,;16.29,-4.56,;16.15,-6.1,;14.75,-6.73,;17.41,-6.98,;17.25,-8.52,;17.72,-3.93,;17.86,-2.39,;18.95,-4.81,;20.35,-4.18,;20.52,-2.64,;21.4,-1.38,;22.94,-1.36,;23.41,.11,;22.13,1,;20.91,.06,;21.61,-5.09,;21.45,-6.61,;23.01,-4.46,;22.69,-2.95,;24.02,-2.18,;25.16,-3.2,;24.53,-4.6,;25.32,-5.93,;24.55,-7.26,;26.86,-5.93,;27.63,-7.26,;26.86,-8.59,;27.66,-9.92,;26.89,-11.25,;27.66,-12.58,;29.2,-12.58,;29.97,-11.25,;29.2,-9.92,;29.17,-7.24,;29.94,-8.59,;29.94,-5.91,)|

BDBM50471553

[H][C@]1(Cc2ccc(O)cc2)C=C(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)CCN([C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:57.60,44.44,16.24,37.38,1.0,wD:36.41,61.63,27.28,t:11,(10.62,-2.15,;12.09,-2.57,;12.09,-1.03,;13.42,-.23,;14.75,-1,;16.08,-.23,;16.08,1.32,;17.41,2.1,;14.72,2.08,;13.39,1.3,;10.97,-3.6,;11.08,-5.14,;9.75,-5.91,;8.42,-5.14,;7.09,-5.91,;7.09,-7.44,;5.74,-5.14,;5.74,-3.6,;7.09,-2.83,;7.09,-1.29,;8.42,-.52,;8.42,1.02,;9.75,1.79,;7.09,1.79,;4.41,-5.91,;3.08,-5.14,;3.08,-3.6,;1.75,-5.91,;.42,-5.14,;1.75,-7.44,;.42,-8.22,;.42,-9.76,;-.93,-7.44,;12.37,-6,;13.84,-5.55,;14.4,-4.11,;15.73,-4.88,;15.73,-6.42,;14.4,-7.19,;17.06,-7.19,;17.06,-8.73,;17.06,-4.11,;17.06,-2.57,;18.41,-4.88,;19.74,-4.11,;19.74,-2.57,;20.49,-1.24,;22.03,-1.05,;22.33,.47,;20.98,1.21,;19.86,.18,;21.07,-4.88,;21.07,-6.42,;22.4,-4.11,;21.93,-2.64,;23.17,-1.75,;24.43,-2.64,;23.94,-4.11,;24.85,-5.37,;24.22,-6.77,;26.37,-5.2,;27.28,-6.45,;26.65,-7.86,;27.56,-9.1,;26.93,-10.5,;27.81,-11.74,;29.35,-11.6,;29.98,-10.2,;29.07,-8.94,;28.82,-6.28,;29.7,-7.54,;29.45,-4.88,;13.63,-2.78,;14.96,-2.01,)|

BDBM50471554

[H][C@@]1(Cc2ccc(O)cc2)C=C(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)CCN([C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:57.60,44.44,16.24,37.38,wD:36.41,61.63,27.28,1.0,t:11,(10.6,-2.15,;12.09,-2.57,;12.09,-1.03,;13.42,-.23,;14.75,-1,;16.08,-.23,;16.06,1.32,;17.39,2.1,;14.73,2.08,;13.4,1.3,;10.97,-3.6,;11.09,-5.14,;9.76,-5.91,;8.41,-5.14,;7.08,-5.91,;7.08,-7.44,;5.74,-5.14,;5.74,-3.6,;7.08,-2.83,;7.08,-1.29,;8.41,-.52,;8.41,1.02,;9.76,1.79,;7.08,1.79,;4.41,-5.91,;3.08,-5.14,;3.08,-3.6,;1.75,-5.91,;.4,-5.14,;1.75,-7.44,;.4,-8.22,;.4,-9.76,;-.93,-7.44,;12.37,-6.01,;13.84,-5.55,;14.4,-4.12,;15.73,-4.89,;15.73,-6.43,;14.4,-7.2,;17.06,-7.2,;17.06,-8.74,;17.06,-4.12,;17.06,-2.57,;18.4,-4.89,;19.73,-4.12,;19.73,-2.57,;20.49,-1.24,;22.03,-1.05,;22.33,.47,;20.98,1.21,;19.84,.18,;21.06,-4.89,;21.06,-6.43,;22.4,-4.12,;21.92,-2.65,;23.17,-1.75,;24.42,-2.65,;23.94,-4.12,;24.84,-5.37,;24.21,-6.77,;26.37,-5.2,;27.28,-6.45,;26.65,-7.86,;27.56,-9.1,;26.92,-10.5,;27.82,-11.75,;29.36,-11.6,;29.99,-10.2,;29.08,-8.94,;28.81,-6.29,;29.71,-7.54,;29.44,-4.89,;13.61,-2.78,;14.94,-2.01,)|

BDBM50369331

CC[C@@H](C)[C@H](N1Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc2[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,33.34,24.24,2.2,wD:4.4,13.20,64.68,(17.94,-9.01,;17.96,-7.5,;16.62,-6.73,;15.26,-7.47,;16.62,-5.23,;15.3,-4.47,;13.9,-5.27,;12.5,-4.49,;11.12,-5.27,;9.72,-4.51,;8.33,-5.29,;6.92,-4.54,;6.9,-2.96,;5.54,-5.34,;5.54,-6.9,;6.95,-7.69,;6.97,-9.26,;8.38,-10.03,;8.39,-11.61,;7,-12.41,;9.8,-12.38,;4.12,-4.56,;2.74,-5.36,;2.75,-6.94,;1.32,-4.59,;-.07,-5.39,;1.3,-3.01,;-.1,-2.24,;-1.5,-3.03,;-.12,-.67,;9.7,-2.93,;11.09,-2.13,;12.48,-2.91,;13.87,-2.11,;13.86,-.6,;12.51,.17,;12.5,1.68,;11.16,2.42,;9.82,1.65,;8.46,2.41,;9.85,.12,;11.18,-.62,;15.28,-2.89,;16.62,-2.12,;17.96,-4.47,;17.96,-2.98,;19.3,-5.23,;20.62,-4.47,;20.62,-2.98,;21.33,-1.86,;22.67,-1.76,;22.99,-.48,;21.83,.21,;20.81,-.64,;21.96,-5.23,;21.96,-6.72,;23.29,-4.45,;22.15,-3.46,;22.77,-2.11,;24.31,-2.24,;24.63,-3.7,;26.05,-4.31,;26.22,-5.8,;27.28,-3.42,;28.69,-4.03,;28.85,-5.51,;29.94,-6.58,;29.54,-8.02,;30.61,-9.08,;32.1,-8.69,;32.5,-7.25,;31.4,-6.18,;29.93,-3.13,;31.35,-3.73,;29.74,-1.65,)|

BDBM50471877

Cc1nc(CO)nc2n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c(=O)cc(O)c12

BDBM50067536

Cc1nc(C)c2c(O)cc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1

BDBM50471878

Cc1nc(C)c2C(O)CC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50471879

Cc1nc(C)c2ccc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c2n1

BDBM50472359

[H][C@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCS2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,27.37,8.9,1.0,wD:4.46,20.26,64.68,38.41,(11.31,-12.86,;10.64,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.52,-7.03,;10.01,-5.56,;11.09,-4.46,;12.6,-4.86,;13.67,-3.76,;13.28,-2.26,;14.35,-1.17,;11.76,-1.87,;10.67,-2.99,;7.79,-7.29,;7.05,-8.63,;5.55,-8.24,;7.05,-10.18,;7.44,-11.65,;8.73,-12.98,;10.23,-12.61,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.29,-9.41,;-.95,-11.72,;-2.29,-12.49,;-3.62,-11.72,;-2.29,-14.03,;13.89,-8.75,;13.88,-7.21,;15.24,-9.5,;16.55,-8.73,;16.54,-7.19,;17.87,-6.4,;19.4,-6.4,;19.89,-4.93,;18.64,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;19.98,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.78,-11,;25.53,-12.33,;27.05,-12.33,;27.82,-13.65,;27.05,-14.98,;25.51,-14.96,;24.76,-13.65,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)|

BDBM50472360

[H][C@@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.64,46.48,26.36,8.9,wD:4.45,20.25,63.67,37.40,1.0,(10.61,-12.98,;10.65,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.53,-7.03,;10.02,-5.56,;11.09,-4.46,;10.67,-2.99,;11.77,-1.87,;13.28,-2.26,;14.36,-1.17,;13.68,-3.76,;12.61,-4.86,;7.8,-7.29,;7.03,-8.63,;5.56,-8.24,;7.05,-10.18,;7.82,-11.5,;9.29,-11.9,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.28,-9.41,;-.95,-11.72,;-2.28,-12.49,;-3.61,-11.72,;-2.28,-14.03,;13.89,-8.75,;13.89,-7.21,;15.24,-9.5,;16.55,-8.73,;16.55,-7.19,;17.88,-6.4,;19.42,-6.4,;19.89,-4.93,;18.65,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;20,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.79,-11,;25.53,-12.33,;24.76,-13.65,;25.51,-14.96,;27.05,-14.98,;27.82,-13.65,;27.05,-12.33,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)|

BDBM50472361

N[C@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,9.8,31.31,wD:20.19,27.44,63.66,1.0,(-2.49,-6.28,;-2.47,-4.62,;-3.84,-3.93,;-5.11,-4.77,;-5.13,-6.21,;-6.53,-4.07,;-1.11,-3.93,;-1.11,-2.41,;.19,-4.74,;1.56,-4.01,;1.59,-2.47,;2.96,-1.73,;2.99,-.19,;4.35,.53,;4.39,2.07,;5.75,2.8,;3.09,2.89,;2.87,-4.81,;2.68,-3.3,;4.21,-5.54,;5.55,-4.77,;5.54,-3.23,;6.63,-2.13,;7.96,-1.36,;11.63,-.89,;13.17,-.89,;14.26,-1.99,;13.54,-3.36,;12.02,-3.43,;10.48,-3.48,;9.64,-2.18,;9.76,-4.85,;10.66,-6.02,;9.85,-7.26,;10.53,-8.56,;9.71,-9.78,;8.24,-9.71,;7.43,-10.95,;7.57,-8.41,;8.36,-7.17,;8.22,-4.77,;6.89,-5.54,;6.89,-7.08,;14.37,-4.67,;14.36,-6.19,;15.85,-4.25,;17.23,-4.78,;17.41,-6.19,;16.4,-7.33,;15.13,-6.82,;14.1,-7.96,;14.75,-9.19,;16.19,-8.82,;18.23,-3.64,;17.74,-2.18,;19.74,-3.95,;19.74,-2.41,;21.22,-1.94,;22.12,-3.13,;21.21,-4.39,;21.7,-5.86,;20.68,-7.01,;23.2,-6.16,;24.74,-6.17,;25.76,-4.98,;24.97,-3.64,;23.43,-3.64,;22.64,-2.29,;23.43,-.94,;24.97,-.94,;25.76,-2.29,;25.25,-7.63,;24.37,-8.87,;26.67,-7.65,)|

BDBM50472362

[H][C@@]12CC[C@H](N1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS2)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:24.36,40.51,63.66,8.9,wD:4.63,36.40,18.23,51.55,1.0,(17.85,-13.52,;18.07,-11.67,;19.28,-12.61,;20.56,-11.74,;20.14,-10.27,;18.6,-10.2,;18.34,-8.68,;19.51,-7.7,;17.36,-7.47,;17.99,-6.07,;19.16,-5.09,;20.67,-5.46,;21.5,-4.15,;20.51,-2.96,;19.05,-3.53,;15.63,-7.57,;14.73,-8.82,;13.28,-8.29,;14.61,-10.37,;15.22,-11.76,;16.66,-12.3,;13.02,-9.75,;11.67,-10.52,;11.67,-12.06,;10.34,-9.75,;10.36,-8.21,;11.11,-6.88,;12.65,-6.87,;13.42,-5.53,;12.65,-4.2,;13.39,-2.87,;11.09,-4.22,;10.34,-5.55,;9.01,-10.52,;7.68,-9.75,;7.68,-8.21,;6.35,-10.52,;5.02,-9.75,;3.69,-10.52,;3.69,-12.06,;2.36,-9.75,;2.36,-8.21,;3.69,-7.44,;3.69,-5.9,;5.02,-5.13,;5.02,-3.59,;6.35,-2.82,;3.69,-2.82,;1.01,-10.52,;-.32,-9.75,;-.32,-8.21,;-1.66,-10.52,;-2.99,-9.75,;-1.66,-12.06,;-2.99,-12.83,;-4.32,-12.06,;-2.99,-14.37,;6.35,-12.06,;7.68,-12.83,;5,-12.82,;21.54,-9.61,;21.68,-8.08,;22.8,-10.5,;24.2,-9.85,;24.34,-8.31,;25.74,-7.66,;27,-8.56,;28.4,-7.91,;28.52,-6.37,;27.25,-5.48,;25.86,-6.14,;25.46,-10.74,;26.86,-10.09,;25.32,-12.27,)|

BDBM50472363

[H][C@]12CC[C@H](N1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.64,46.48,26.36,8.9,1.0,wD:4.45,20.25,63.67,37.40,(10.61,-12.98,;10.65,-11.11,;11.95,-11.95,;13.14,-10.97,;12.56,-9.53,;11.02,-9.62,;10.62,-8.13,;11.7,-7.03,;9.53,-7.03,;10.02,-5.56,;11.09,-4.46,;10.67,-2.99,;11.77,-1.87,;13.28,-2.26,;14.36,-1.17,;13.68,-3.76,;12.61,-4.86,;7.8,-7.29,;7.03,-8.63,;5.56,-8.24,;7.05,-10.18,;7.82,-11.5,;9.29,-11.9,;5.72,-9.41,;4.39,-10.18,;4.39,-11.72,;3.06,-9.41,;3.06,-7.87,;4.39,-7.1,;4.39,-5.56,;5.72,-4.79,;5.72,-3.25,;7.05,-2.48,;4.39,-2.48,;1.71,-10.18,;.38,-9.41,;.38,-7.87,;-.95,-10.18,;-2.28,-9.41,;-.95,-11.72,;-2.28,-12.49,;-3.61,-11.72,;-2.28,-14.03,;13.89,-8.75,;13.89,-7.21,;15.24,-9.5,;16.55,-8.73,;16.55,-7.19,;17.88,-6.4,;19.42,-6.4,;19.89,-4.93,;18.65,-4.02,;17.39,-4.93,;17.9,-9.48,;17.9,-11.02,;19.23,-8.7,;18.74,-7.23,;20,-6.33,;21.24,-7.23,;20.77,-8.7,;22.1,-9.47,;22.1,-11.01,;23.43,-8.69,;24.76,-9.46,;24.79,-11,;25.53,-12.33,;24.76,-13.65,;25.51,-14.96,;27.05,-14.98,;27.82,-13.65,;27.05,-12.33,;26.09,-8.68,;27.42,-9.43,;26.09,-7.14,)|

BDBM50003399

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50226735

CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O

BDBM50015270

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

BDBM50474472

OC(=O)c1nc(Cl)c(\C=N/NS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50226721

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1

BDBM50226732

CCCCc1nc(Cl)c(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1

BDBM50229476

CC\C=C\c1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50229458

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NOC

BDBM50226515

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(O)=O

BDBM50229435

CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50087580

CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(cc1)C(O)=O

BDBM50229477

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F

BDBM50229443

CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50229444

CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50474473

CCCCc1nc(Cl)c(CO)n1Cc1cccc(Oc2ccccc2C(O)=O)c1

BDBM50474474

CCCCc1nc(Cl)cn1Cc1ccccc1-c1nn[nH]n1

BDBM50474475

CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Cc2ccccc2CC(O)=O)cc1

BDBM50229447

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccc(cc1)C(O)=O

BDBM50226467

CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1

BDBM50226520

CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(CC(O)=O)cc1

BDBM50474476

CCCCc1nc(Cl)c(CO)n1Cc1cccc(c1)C(=O)c1ccccc1C(O)=O

BDBM50474477

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc3ccccc3c2C(O)=O)cc1

BDBM50226723

CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1

BDBM50229433

CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50229432

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NC(=O)C(F)(F)F

BDBM50474478

OCc1c(Cl)nc(CCC=C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50474479

CCCCc1nc(Cl)c(COC)n1Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2C(O)=O)cc1

BDBM50087631

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCCC(O)=O)cc1

BDBM50226528

CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1

BDBM50474480

CCCCc1nc(Cl)c(COC)n1Cc1cccc(c1)C(=O)c1ccccc1C(O)=O

BDBM50474481

CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[N+]([O-])=O

BDBM50226530

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(O)=O)cc1

BDBM50229454

CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50229468

CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(=O)Nc1nn[nH]n1

BDBM50474482

CCCCc1c(Cl)nc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50229469

CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F

BDBM50229488

CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F

BDBM50474483

OC(=O)c1ccccc1-c1ccc(Cn2c(CCC=C)nc(Cl)c2C=O)cc1

BDBM50229440

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cc(OC)ccc1-c1nn[nH]n1

BDBM50474484

CCCCc1nc(Cl)c(COC)n1NC(=O)Cc1ccccc1C(O)=O

BDBM50226725

CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1

BDBM50087581

CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCC(O)=O)cc1

BDBM50044335

CCCCc1nn(CC2CC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044369

CCCCc1nn(CCCCC(O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044358

CCCCc1nn(CC(OCC(=O)OCC)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044351

CCCCc1nn(C(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044372

CCCCc1n[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50486642

CCCCc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |TLB:19:10:17:13.14.15,THB:19:14:11.10.18:17,15:14:11:18.16.17,15:16:11:13.19.14|

BDBM50044339

CCCCc1nn(C(CC(=O)OCC)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044334

CCCCc1nn(CCCCC(=O)OC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50486643

CCCCc1nn(CC(OCC)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50044360

CCCCc1nn(C\C=C\c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044346

CCCCc1nn(CCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044362

CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044338

CCCCc1nn(CCCCCC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044348

CCCCc1nn(CC(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044345

CCCCc1nn(CC(O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044361

CCCCc1nn(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044333

CCCCc1nn(CCC2CCCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044366

CCCCc1nn(C(C)CC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044367

CCCCCCn1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O

BDBM50044357

CCCCCn1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O

BDBM50044355

CCCCc1nn(CCCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044368

CCCCc1nn(CCCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50044331

CCCCc1nn(C(Cc2ccccc2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044352

CCCCc1nn(c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)C(=O)c1ccccc1

BDBM50486644

CCCCc1nn(CC(OCC(O)=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50044363

CCCCc1nn(CC(OCCC)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044365

CCCCc1nn(CC(OC)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044347

CCCCc1nn(CC(=O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044337

CCCCc1nn(Cc2cccc3ccccc23)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044356

CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044354

CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044340

CCCCc1nn(CCCCCC(O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044332

CCCCc1nn(CC(=O)OC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044370

CCCCc1nn(CC(O)c2cc(OC)ccc2OC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044364

CCCCc1nn(CCCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044344

CCCCc1nn(Cc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044371

CCCCc1nn(CC(O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044350

CCCCc1n[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044336

CCCCc1nn(CCC(C)CC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044349

CCCCCCCCn1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1=O

BDBM50044353

CCCCc1nn(CC(OCc2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50044343

CCCCc1nn(CC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488143

CCCCc1nc2ccn(Cc3ccc(cc3)C(O)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488144

CCCCc1nc2ccn(C(=O)N3CCCC3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488145

CCCCc1nc2ccn(C(=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488146

CCCCc1nc2ccn(C(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488147

CCCCc1nc2ccn(C(O)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488148

CCCCc1nc2ccn(C(=O)OC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488149

CCCCc1nc2ccn(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488150

CCCCc1nc2ccn(Cc3ccc(F)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488151

CCCCc1nc2ccn(Cc3ccc(Br)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50041689

CCCCc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488152

CCCCc1nc2ccn(CC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488153

Oc1nccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c12

BDBM50488154

CCCc1nc2ccnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50041702

CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50488155

CCCCc1nc2ccn(C(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488156

CCCCc1nc2ccn(C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488157

CCCCc1nc2ccn(C(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488158

CCCCc1nc2ccn(C(=O)Nc3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488159

CCN(CC)C(=O)C1CCCN1C(=O)n1ccc2nc(CC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1=O

BDBM50488160

CCN(CC)C(=O)n1ccc2nc(CC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1=O

BDBM50488161

CN(C)C(=O)n1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1=O

BDBM50488162

CCc1nc2ccn(C(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488163

CCCc1nc2ccn(C(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488164

CCCCc1nc2ccn(C(N)=O)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488165

CCCCc1nc2ccn(Cc3ccc(N)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488166

CCCCc1nc2ccn(Cc3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488167

CCc1nc2ccnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50212841

CCCCc1nc2ccnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488168

CCCCc1nc2ccn(Cc3ccc(cc3)C(=O)OCC)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488169

CCCCc1nc2ccn(C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488170

CCCCc1nc2ccn(C(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488171

CCCCc1nc2ccn(C(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488172

CCCCc1nc2ccn(-c3cccs3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488205

CCCCc1ccc(CNC(=O)Cc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488206

CCCCc1ccc(CNCc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213046

CCCCc1ccc(CNC(=O)CCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488207

CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488208

CCCCc1ccc(CN(C)C(=O)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488209

CCCCc1ccc(CN(CC)S(C)(=O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488210

CCCCc1ccc(CNC(=O)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213043

CCCCc1ccc(CNS(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213045

CCCCc1ccc(C#N)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488211

CCCCc1ccc(CN(Cc2ccccc2)S(C)(=O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488212

CCCCc1ccc(C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488213

CCCCc1ccc(CNC(=O)N(CC)CC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488214

CCCCc1ccc(CNC(=O)OC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488215

CCCCc1ccc(CNS(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213044

CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488216

CCCCc1ccc(CNS(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488217

CCCCc1ccc(CN(Cc2ccccc2)C(C)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213041

CCCCc1ccc(CNC(C)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488218

CCCCNC(=O)NCc1ccc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1=O

BDBM50213047

CCCCc1ccc(CNC(=O)NC2CCCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213048

CCCCc1ccc(CNC(=O)Nc2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488219

CCCCc1ccc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488220

CCCCc1cccc(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488221

CCCCc1ccc(CN(C)S(C)(=O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488222

CCCCc1ccc(CN(C(C)C)S(C)(=O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488223

CCCCc1ccc(CN(C)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213042

CCCCc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488224

CCCCc1ccc(CNS(C)(=O)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488225

CCCCc1ccc(CN)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488330

CCCCn1nc(C)c(C(C)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488331

CCCCn1nc(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(C(O)=O)c1C

BDBM50488332

CCCCn1nc(CC)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488333

CCCCc1nn(CCC)c(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(O)=O

BDBM50488334

CCCn1nc(C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488335

CCCn1nc(C(C)C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488336

CCCn1nc(cc1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)C

BDBM50488337

CCCn1nc(C2CC2)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1ccccc1

BDBM50488338

CCCCn1nc(C)c(C=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488339

CCCCn1nc(C)c(C(=O)OC)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488340

CCCCn1nc(CCC)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488341

Cc1nn(CC(F)(F)F)c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O

BDBM50488342

CCCn1nc(C(C)C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F

BDBM50488343

CCCCn1nc(C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1ccccc1

BDBM50488344

CCCCn1nc(C)c(CO)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488345

CCCn1nc(C2CC2)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488346

CCn1nc(C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488347

CCCn1nc(CC)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488348

CCCCn1nc(C(C)C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488349

CCCCn1nc(C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50056302

CCCCn1ncc(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50488350

CCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488351

CCCn1nc(C(C)C)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50488352

CCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1ccccc1

BDBM50488353

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cc2c(cnn2CCCC)C(O)=O)cc1

BDBM50488354

CCCn1nc(c(C(=O)OC)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)C

BDBM50488355

CCCn1nc(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(C(O)=O)c1C(C)C

BDBM50488356

CCCCn1nc(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c(C(O)=O)c1CC

BDBM50488357

CCCn1nc(Cc2ccccc2)c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488358

CCCCn1nc(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccccc1

BDBM50488359

CCCCn1nc(C)c(C(N)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50488360

Cc1nn(c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O)-c1ccccc1

BDBM50043043

OC(=O)C1Cc2cc(O)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50010361

Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N

BDBM50043030

OC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50043044

COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)N(c2ccccc2)c2ccccc2)cc1

BDBM50043031

COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccc(OC)cc1

BDBM50043042

COc1ccc(cc1)-c1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1

BDBM50043045

COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccccc1

BDBM50043047

COC(=O)C1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50043035

CCCCCc1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1

BDBM50043039

COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C

BDBM50043046

OC(=O)C1Cc2cc(ccc2CN1C(=O)C(c1ccccc1)c1ccccc1)-c1ccccc1

BDBM50043038

COc1ccc(cc1C)-c1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1

BDBM50043037

COC(=O)C1Cc2c(C)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50043041

COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1

BDBM50043033

OC(=O)C1Cc2cc(Oc3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50043036

COc1ccc(Cc2cccc3CN(C(Cc23)C(O)=O)C(=O)N(C)c2ccccc2)cc1

BDBM50043028

Cc1cccc2CN(C(Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1

BDBM50043029

CN(C(=O)N1Cc2ccc(Oc3ccccc3)cc2CC1C(O)=O)c1ccccc1

BDBM50043034

OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)cccc2-c1ccccc1

BDBM50043032

OC(=O)C1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50043040

COC(=O)C1Cc2c(Cc3ccc(OC)cc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1

BDBM50230825

CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,63.66,31.31,wD:17.16,27.44,6.5,(11.11,6.81,;9.94,7.18,;8.8,6.15,;7.33,6.62,;7.07,7.82,;6.19,5.58,;4.72,6.06,;4.4,7.56,;5.54,8.59,;5.22,10.1,;6.36,11.13,;6.04,12.64,;6.95,13.47,;4.87,13.02,;3.58,5.02,;2.4,5.4,;3.9,3.52,;2.75,2.48,;1.51,3.38,;,3.7,;-1.51,3.38,;-2.01,4.51,;-2.75,2.48,;-3.52,1.15,;-3.68,-.38,;-3.21,-1.85,;-2.18,-2.99,;-.77,-3.62,;.77,-3.62,;2.17,-2.99,;2.9,-3.99,;3.2,-1.85,;4.55,-2.63,;5.88,-1.86,;7.22,-2.63,;8.55,-1.86,;8.55,-.32,;9.62,.3,;7.22,.45,;5.88,-.32,;3.68,-.38,;3.52,1.15,;4.69,1.53,;-1.09,-5.14,;-2.26,-5.52,;.06,-6.16,;-.26,-7.67,;.89,-8.71,;2.35,-8.23,;3.58,-9.13,;4.82,-8.23,;4.34,-6.76,;2.8,-6.77,;-1.72,-8.16,;-2.64,-7.34,;-2.04,-9.66,;-1,-10.78,;-1.76,-12.12,;-3.27,-11.81,;-3.44,-10.28,;-4.77,-9.5,;-5.84,-10.11,;-4.76,-7.96,;-6.1,-7.18,;-6.09,-5.64,;-7.41,-4.86,;-7.41,-3.32,;-8.74,-2.55,;-10.08,-3.32,;-10.08,-4.86,;-8.75,-5.63,;-7.43,-7.94,;-7.43,-9.18,;-8.49,-7.32,)|

BDBM50048117

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O

BDBM50048118

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048119

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048122

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50230812

CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C)C(=O)N[C@H](Cc1ccccc1)C(O)=O

BDBM50048131

CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)C(N)[C@H](CC(C)C)C(C)=O |r|

BDBM50230829

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CSSC[C@@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C

BDBM50230830

[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSSC[C@@H](NC2=O)C(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C

BDBM50048125

NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048127

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O

BDBM50048114

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50230831

CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O |wU:57.61,44.45,61.64,29.29,wD:17.16,25.42,6.5,(11.49,5.04,;10.38,5.57,;9.11,4.69,;7.72,5.35,;7.61,6.57,;6.45,4.47,;5.06,5.12,;4.93,6.66,;6.2,7.53,;6.07,9.07,;7.34,9.95,;7.21,11.48,;8.22,12.19,;6.1,12.01,;3.79,4.24,;2.68,4.77,;3.92,2.71,;2.65,1.83,;1.49,2.85,;,3.22,;,4.45,;-1.5,2.85,;-2.65,1.83,;-3.19,.39,;-3.01,-1.14,;-2.13,-2.4,;-.77,-3.12,;.77,-3.12,;1.06,-4.32,;2.13,-2.4,;3.16,-3.57,;4.67,-3.26,;5.69,-4.41,;7.19,-4.11,;7.68,-2.65,;8.89,-2.4,;6.66,-1.5,;5.15,-1.8,;3.01,-1.14,;3.19,.39,;4.41,.54,;-3.16,-3.57,;-4.37,-3.32,;-2.67,-5.03,;-3.69,-6.18,;-3.2,-7.64,;-1.69,-7.95,;-1.07,-9.35,;.46,-9.17,;.76,-7.66,;-.58,-6.9,;-5.2,-5.88,;-5.59,-4.71,;-6.21,-7.04,;-5.86,-8.52,;-7.18,-9.31,;-8.34,-8.29,;-7.73,-6.88,;-8.51,-5.55,;-9.74,-5.56,;-7.74,-4.21,;-8.52,-2.88,;-7.75,-1.54,;-8.52,-.21,;-7.76,1.12,;-8.54,2.46,;-10.08,2.45,;-10.84,1.11,;-10.06,-.22,;-10.06,-2.88,;-10.67,-3.95,;-10.68,-1.82,)|

BDBM50048112

NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50009338

CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|

BDBM50048132

CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O

BDBM50048113

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048121

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048123

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048120

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048116

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048124

CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

BDBM50048115

CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)SS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O

BDBM50125361

CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125345

CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125354

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125350

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125355

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(F)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125344

CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125358

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125347

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CO)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125359

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125360

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50117910

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4|

BDBM50125362

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(CC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125349

CCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125353

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(Cl)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125342

CCCc1nc(CC)c(C(=O)N(C)C)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125348

CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125351

CCCc1nc(Cl)c(C(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125356

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COCCF)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125343

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125341

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125357

CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125346

CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125339

CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125352

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(C)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50125340

CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(COC)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

BDBM50283005

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Br)c1

BDBM82428

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(F)(F)C(F)(F)F

BDBM50283012

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(c1)[N+]([O-])=O

BDBM50282999

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(Cl)c1

BDBM50283009

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)c(C)c1

BDBM50032364

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(F)c1

BDBM50283003

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(C)c1

BDBM36645

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50283007

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(C)c1

BDBM50283008

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)cc1

BDBM50283006

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)cc1

BDBM50049196

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1Br)-c1ccccc1-c1nnn[nH]1)C(F)(F)C(F)(F)F

BDBM50032362

CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283011

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1C)-c1ccccc1-c1nnn[nH]1

BDBM50283004

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1F)-c1ccccc1-c1nnn[nH]1

BDBM50283001

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)cc1

BDBM50032351

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Cl)c1

BDBM50283013

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1Cl)-c1ccccc1-c1nnn[nH]1

BDBM50283002

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(F)c1

BDBM50049179

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1

BDBM50283010

CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1Br)-c1ccccc1-c1nnn[nH]1

BDBM50283000

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C=O)c(F)c1

BDBM50283307

CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C

BDBM50283303

CN(C)C(=O)Nc1ccc2nc(C)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1

BDBM50283316

CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C

BDBM50283302

CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283300

CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283317

CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283314

CCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283312

CCc1ccc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(CC)nc4ccc(NC(=O)NC(C)C)cc4c3=O)c(F)c2)c(F)c1

BDBM50283313

CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3F)c(=O)c2c1

BDBM50283315

CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1

BDBM50283310

CCc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1

BDBM50283319

CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1

BDBM50283309

CCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1

BDBM50283318

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1

BDBM50283305

CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F

BDBM50283304

CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1

BDBM50049204

CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1

BDBM50283306

CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)NC(C)C)cc3c2=O)c(F)c1

BDBM50283311

CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C

BDBM50283301

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N4CCOCC4)cc3c2=O)c(F)c1

BDBM50283308

[#6]-[#6]-c1nc2ccc(-[#7]-[#6](=O)-[#7](-[#6])-[#6](-[#6])-[#6])cc2c(=O)n1-[#6]-c1ccc(cc1F)-c1ccccc1S(=O)(=O)[#7]-[#6](=O)-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50283763

CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl

BDBM50283758

CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl

BDBM50030732

CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C

BDBM50284650

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccco2)cc1

BDBM50284663

CCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1

BDBM50284645

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccc2)C(=O)c2ccccc2)cc1

BDBM50284642

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2cccnc2)C(=O)c2ccccc2)cc1

BDBM50284661

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccccc2)cc1

BDBM50284649

CCCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1

BDBM50284662

CCCCN(C(=O)c1ccc(OP([O-])([O-])=O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1

BDBM50284641

COC(=O)c1ccc(CN(C(=O)c2ccccc2)c2ccc3ncn(Cc4ccc(cc4)-c4ccccc4-c4nnnn4C)c(=O)c3c2)cc1

BDBM50284655

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccc(O)cc2)C(=O)c2ccccc2)cc1

BDBM50284654

Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccncc2)cc1

BDBM50285759

CCCc1nc(SC)c(C(O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285753

CCCCc1nc(SC)c(C(C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285754

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)c1ccccc1

BDBM50285758

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(CC)C(O)=O

BDBM50285766

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O

BDBM50285763

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(Cc1ccccc1)C(O)=O

BDBM50285769

CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285756

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(O)=O

BDBM50285761

CCCCc1nc(SC)c(C(=O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285765

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C=C)C(O)=O

BDBM50285768

CCCCc1nc(SC)c(C(O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285767

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)C(F)(F)F

BDBM50285757

CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(C)C)C(O)=O

BDBM50285755

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(C)(O)C(O)=O

BDBM50285770

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O

BDBM50285752

CCCCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285760

CCCCc1nc(SC)c(C(O)CC(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285762

CCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50285764

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(O)(C(O)=O)C(F)(F)F

BDBM50285771

CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(=O)OCC

BDBM50285821

CCCCc1nc2ccn(C(C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285828

CCCCCOC(=O)C(c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1=O

BDBM50285822

CCCCc1nc2ccn(C(C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285817

CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccn(C(C(=O)OC(C)C)c4ccccc4)c(=O)c23)cc1

BDBM50285815

CCCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50450370

[H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |c:14|

BDBM50285833

CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1

BDBM50285834

CCCCc1nc2ccn(C(C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285829

CCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285813

CCCCc1nc2ccn(C(C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285825

CCCCc1nc2ccn(C(C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50406795

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1

BDBM50285827

CCCCc1nc2ccn(C(C(O)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285812

CCCCc1nc2ccn(C(C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285814

CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285832

CCCCc1nc2ccn(C(C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285824

CCCCc1nc2ccn(C(C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285816

CCCCc1nc2ccn(C(C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285826

CCCCc1nc2ccn(C(C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285820

CCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285818

CCCCc1nc2ccn(C(C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285819

CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285823

CCCCc1nc2ccn(C(C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285835

CCCCc1nc2ccn(C(C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285831

CCCCc1nc2ccn(C(C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50285811

CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1

BDBM50285836

CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50212594

CCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:3|

BDBM50212595

CCCSC1=NS(=O)(=O)c2ccc(cc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|

BDBM50212596

CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|

BDBM50212597

CCCSC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|

BDBM50212598

CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|

BDBM50212600

CCCSC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|

BDBM50212601

CCCCC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|

BDBM50212602

CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:4|

BDBM50212603

CCCCC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|

BDBM50212950

CCc1nc2CCCC\C(=C/C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50213455

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1

BDBM50213459

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccc(C)cc1

BDBM50213461

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2OCOc2c1

BDBM50213489

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCc1ccccc1

BDBM50213504

CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213457

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1

BDBM50213500

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1

BDBM50213550

CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1

BDBM50213488

CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1

BDBM50213551

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1cccs1

BDBM50213456

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1

BDBM50213552

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1ccccc1

BDBM50213560

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1

BDBM50213561

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1cccs1

BDBM50213554

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213562

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)c1ccccc1

BDBM50213564

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1

BDBM50213565

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC1CCCCC1

BDBM50213568

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1Cl

BDBM50213567

CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1

BDBM50213499

CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1

BDBM50213505

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1

BDBM50213460

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2ccccc2c1

BDBM50213591

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213583

CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC

BDBM50213555

CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC(c1ccccc1)c1ccccc1

BDBM50213458

CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc(F)cc1

BDBM50213592

CCCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213593

CCCCc1nc(SC)c(C(=O)CS(C)(=O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213594

CCCc1nc(SC)c(C(=O)CC#N)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213679

CCCc1nc(SC)c(C(=O)CSc2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213680

CCCCc1nc(SC)c(C(=O)CC(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213681

CCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213682

CCCCc1nc(SC)c(C(=O)C[S+](C)[O-])n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213684

CCCCc1nc(SC)c(C(=O)C(CCC)S(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213685

CCCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccc(F)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213687

CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccc(C)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213688

CCCc1nc(SC)c(C(C)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213695

CCCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213697

CCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213778

CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1

BDBM50213779

CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1

BDBM50213780

CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1

BDBM50213781

CCCCc1nc(SC)c(C(=O)CC(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213782

CCCc1nc(SC)c(C(=O)C[S+]([O-])c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50213783

CCCc1nc(SC)c(C(=O)CS(=O)(=O)c2ccc(OC)cc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1

BDBM50230877

CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230907

CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|

BDBM50230911

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O

BDBM50230913

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC

BDBM50230915

CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,)|

BDBM50230916

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C

BDBM50230917

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.74,-10.55,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.7,-12.94,)|

BDBM50230918

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(O)=O)c1C

BDBM50230910

CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230880

CCCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230908

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)F

BDBM50230892

CCCc1nc(c(\C=C\C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;21.41,-7.57,;22.24,-10.09,;21.92,-11.59,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;13.94,-9.07,;12.6,-8.3,;12.6,-6.77,;13.92,-6,;15.26,-6.74,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|

BDBM50230893

Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|

BDBM50230884

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F

BDBM50230886

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C

BDBM50230903

COC(=O)c1c(nc(C2CC2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(19.81,-9.98,;18.35,-10.45,;17.22,-9.43,;17.52,-7.94,;15.77,-9.9,;15.29,-11.37,;13.75,-11.37,;13.28,-9.91,;11.81,-9.43,;10.77,-8.29,;10.29,-9.75,;14.5,-9.01,;14.5,-7.46,;13.16,-6.7,;13.16,-5.14,;11.82,-4.39,;10.48,-5.17,;10.48,-6.7,;11.82,-7.46,;9.15,-4.4,;7.83,-5.17,;6.51,-4.4,;6.51,-2.84,;7.83,-2.08,;9.15,-2.84,;10.48,-2.07,;10.63,-.54,;12.14,-.2,;12.9,-1.54,;11.89,-2.68,;16.2,-12.61,;15.74,-14.07,;14.27,-14.55,;16.98,-14.97,;18.22,-14.05,;17.74,-12.59,;18.51,-11.85,)|

BDBM50230900

CCCc1nc(c(\C=C(/C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230899

CCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230898

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC

BDBM50230896

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|

BDBM50230891

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O

BDBM50230887

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F

BDBM50230897

CCCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230895

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)OC

BDBM50230920

CCCCc1nc(c(C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230906

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|

BDBM50230912

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230909

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230919

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230914

CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;23.03,-12.59,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|

BDBM50230878

CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|

BDBM50230879

CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(=O)OC |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,)|

BDBM50230881

CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;22.24,-10.09,;21.41,-7.57,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;15.26,-6.74,;13.92,-6,;12.6,-6.77,;12.6,-8.3,;13.94,-9.07,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|

BDBM50230894

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O

BDBM50230885

CCCc1nc(c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O

BDBM50230883

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|

BDBM50230902

CCCc1nc(c(\C=C(/C)C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230889

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230890

CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230888

CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230901

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230905

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1