789 SMILES Strings for Tyrosine-protein kinase BTK [386-659]

Compound Name
SMILES String
O[C@H]1CN(CC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
O[C@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@@H]1C[C@@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.7,3.46,;-3.03,2.69,;-4.37,3.46,;-4.37,5,;-5.7,2.69,;-7.03,3.46,;-8.37,2.69,;-8.37,1.15,;-9.7,.38,;-11.04,1.15,;-11.04,2.69,;-9.7,3.46,;-5.7,1.15,;-4.37,.38,;-3.03,1.15,;-1.7,.38,;-1.7,-1.16,;-3.03,-1.93,;-3.03,-3.47,;-1.7,-4.24,;-.37,-3.47,;1,-4,;2.03,-2.33,;3.43,-2.33,;4.2,-3.67,;4.2,-1,;5.68,-1,;6.45,.33,;7.99,.33,;8.76,-1,;7.99,-2.33,;6.45,-2.33,;8.76,-3.67,;7.99,-5,;10.27,-3.67,;11.04,-2.33,;.97,-1.16,;.97,.38,;-.37,1.15,;-.37,2.69,;-.37,-1.93,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.55,3.85,;-2.89,3.08,;-4.22,3.85,;-5.55,3.08,;-6.89,3.85,;-8.22,3.08,;-8.22,1.54,;-9.55,.77,;-10.89,1.54,;-10.89,3.08,;-9.55,3.85,;-5.55,1.54,;-4.22,.77,;-2.89,1.54,;-1.55,.77,;-1.55,-.77,;-2.89,-1.54,;-2.89,-3.08,;-1.55,-3.85,;-.22,-3.08,;1.09,-3.6,;2.22,-2.02,;3.58,-2.02,;4.35,-3.36,;4.35,-.69,;5.85,-.69,;6.76,.56,;8.22,.08,;8.22,-1.46,;6.76,-1.93,;9.55,-2.23,;9.55,-3.77,;10.89,-1.46,;10.89,.08,;1.11,-.77,;1.11,.77,;-.22,1.54,;-.22,3.08,;-.22,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.73,4.27,;-3.06,3.5,;-4.4,4.27,;-5.73,3.5,;-7.06,4.27,;-8.4,3.5,;-8.4,1.96,;-9.73,1.19,;-11.07,1.96,;-11.07,3.5,;-9.73,4.27,;-5.73,1.96,;-4.4,1.19,;-3.06,1.96,;-1.73,1.19,;-1.73,-.35,;-3.06,-1.12,;-3.06,-2.66,;-1.73,-3.43,;-.4,-2.66,;1.09,-3.06,;1.92,-1.6,;3.4,-1.6,;4.17,-2.94,;4.17,-.27,;5.67,-.27,;6.44,1.06,;7.98,1.06,;8.76,2.4,;8.76,-.27,;7.98,-1.6,;6.44,-1.6,;8.76,-2.94,;7.98,-4.27,;10.3,-2.94,;11.07,-1.6,;.94,-.35,;.94,1.19,;-.4,1.96,;-.4,3.5,;-.4,-1.12,)|
O[C@H]1CNCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.86,6.18,;-2.19,5.41,;-3.52,6.18,;-4.86,5.41,;-6.19,6.18,;-7.52,5.41,;-8.86,6.18,;-10.19,5.41,;-10.19,3.87,;-8.86,3.1,;-7.52,3.87,;-4.86,3.87,;-3.52,3.1,;-2.19,3.87,;-.86,3.1,;-.86,1.56,;-2.19,.79,;-2.19,-.75,;-.86,-1.52,;.48,-.75,;1.96,-1.15,;2.9,.47,;4.44,.47,;5.21,1.81,;5.21,-.86,;6.75,-.86,;7.66,.38,;9.12,-.09,;9.12,-1.63,;7.66,-2.11,;7.18,-3.57,;8.21,-4.72,;7.73,-6.18,;9.72,-4.4,;10.19,-2.93,;1.81,1.56,;1.81,3.1,;.48,3.87,;.48,5.41,;.48,.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,4.3,;-3.29,3.53,;-4.62,4.3,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.96,4.3,;-11.29,3.53,;-11.29,1.99,;-9.96,1.22,;-8.62,1.99,;-5.95,1.99,;-4.62,1.22,;-3.29,1.99,;-1.95,1.22,;-1.95,-.32,;-3.29,-1.09,;-3.29,-2.63,;-1.95,-3.4,;-.62,-2.63,;.71,-3.4,;2.05,-1.63,;3.59,-1.63,;4.36,-.3,;4.36,-2.96,;5.9,-2.96,;6.67,-4.3,;8.21,-4.3,;8.98,-2.96,;8.21,-1.63,;6.67,-1.63,;8.98,-.3,;8.21,1.04,;10.52,-.3,;11.29,-1.63,;.71,-.32,;.71,1.22,;-.62,1.99,;-.62,3.53,;-.62,-1.09,)|
Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
O[C@H]1CN(CC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.25,;-3.11,3.48,;-4.44,4.25,;-5.78,3.48,;-7.11,4.25,;-8.44,3.48,;-9.78,4.25,;-11.11,3.48,;-11.11,1.94,;-9.78,1.17,;-8.44,1.94,;-5.78,1.94,;-4.44,1.17,;-3.11,1.94,;-1.78,1.17,;-1.78,-.37,;-3.11,-1.14,;-3.11,-2.68,;-1.78,-3.45,;-.44,-2.68,;.89,-3.45,;2.23,-1.67,;3.77,-1.67,;4.54,-.34,;4.54,-3.01,;6.08,-3.01,;6.98,-4.25,;8.44,-3.78,;8.44,-2.24,;6.98,-1.76,;9.78,-1.47,;9.78,.07,;11.11,-2.24,;11.11,-3.78,;.89,-.37,;.89,1.17,;-.44,1.94,;-.44,3.48,;-.44,-1.14,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,27.29,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-3.02,;4.19,-.35,;5.73,-.35,;6.5,.98,;8.04,.98,;8.81,2.32,;8.81,-.35,;8.04,-1.68,;6.5,-1.68,;8.81,-3.02,;8.04,-4.35,;10.35,-3.02,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
CO[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.12,2.1,(8.21,3.71,;8.98,2.37,;8.21,1.04,;6.67,1.04,;5.9,-.3,;6.67,-1.63,;8.21,-1.63,;8.98,-.3,;8.98,-2.96,;8.21,-4.3,;10.52,-2.96,;11.29,-1.63,;4.36,-.3,;3.59,-1.63,;4.36,-2.96,;2.05,-1.63,;.71,-3.4,;-.62,-2.63,;-1.95,-3.4,;-3.29,-2.63,;-3.29,-1.09,;-1.95,-.32,;-1.95,1.22,;-3.29,1.99,;-4.62,1.22,;-5.95,1.99,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.96,4.3,;-11.29,3.53,;-11.29,1.99,;-9.96,1.22,;-8.62,1.99,;-4.62,4.3,;-3.29,3.53,;-1.95,4.3,;-.62,1.99,;-.62,3.53,;.71,1.22,;.71,-.32,;-.62,-1.09,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4COC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.68,6.19,;-2.01,5.42,;-3.34,6.19,;-4.68,5.42,;-6.01,6.19,;-7.34,5.42,;-8.68,6.19,;-10.01,5.42,;-10.01,3.88,;-8.68,3.11,;-7.34,3.88,;-4.68,3.88,;-3.34,3.11,;-2.01,3.88,;-.68,3.11,;-.68,1.57,;-2.01,.8,;-2.01,-.74,;-.68,-1.51,;.66,-.74,;2.15,-1.14,;3.08,.48,;4.62,.48,;5.39,1.81,;5.39,-.85,;6.93,-.85,;7.96,.29,;9.37,-.34,;9.21,-1.87,;7.7,-2.19,;6.93,-3.52,;7.7,-4.86,;6.93,-6.19,;9.24,-4.86,;10.01,-3.52,;1.99,1.57,;1.99,3.11,;.66,3.88,;.66,5.42,;.66,.8,)|
Cc1cc(Oc2cccc3ccoc23)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.30,(-1.38,3.46,;-2.71,2.69,;-4.05,3.46,;-5.38,2.69,;-6.72,3.46,;-8.05,2.69,;-8.05,1.15,;-9.38,.38,;-10.72,1.15,;-10.72,2.69,;-11.86,3.72,;-11.23,5.13,;-9.7,4.97,;-9.38,3.46,;-5.38,1.15,;-4.05,.38,;-2.71,1.15,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-2.46,;4.16,-2.46,;4.93,-3.8,;4.93,-1.13,;6.47,-1.13,;7.24,.2,;8.78,.2,;9.55,-1.13,;8.78,-2.46,;7.24,-2.46,;9.55,-3.8,;8.78,-5.13,;11.09,-3.8,;11.86,-2.46,;1.29,-1.16,;1.29,.38,;-.05,1.15,;-.05,2.69,;-.05,-1.93,)|
Cc1cc(Oc2c(F)cccc2F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:27.28,(-1.78,3.08,;-3.11,2.31,;-4.44,3.08,;-5.78,2.31,;-7.11,3.08,;-8.44,2.31,;-9.78,3.08,;-9.78,4.62,;-11.11,2.31,;-11.11,.77,;-9.78,,;-8.44,.77,;-7.11,,;-5.78,.77,;-4.44,,;-3.11,.77,;-1.78,,;-1.78,-1.54,;-3.11,-2.31,;-3.11,-3.85,;-1.78,-4.62,;-.44,-3.85,;.89,-4.62,;2.22,-2.84,;3.76,-2.84,;4.53,-4.18,;4.53,-1.51,;6.07,-1.51,;6.98,-.27,;8.44,-.74,;8.44,-2.28,;6.98,-2.76,;9.78,-3.05,;9.78,-4.59,;11.11,-2.28,;11.11,-.74,;.89,-1.54,;.89,,;-.44,.77,;-.44,2.31,;-.44,-2.31,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.34,3.6,;-4.68,2.83,;-6.01,3.6,;-7.34,2.83,;-8.68,3.6,;-10.01,2.83,;-11.35,3.6,;-12.68,2.83,;-12.68,1.29,;-11.35,.52,;-10.01,1.29,;-7.34,1.29,;-6.01,.52,;-4.68,1.29,;-3.34,.52,;-3.34,-1.02,;-4.68,-1.79,;-4.68,-3.33,;-3.34,-4.1,;-2.01,-3.33,;-.55,-3.81,;.36,-2.56,;1.9,-2.56,;2.67,-1.23,;1.9,.1,;4.21,-1.23,;4.98,-2.56,;6.52,-2.56,;7.29,-1.23,;6.52,.1,;4.98,.1,;7.29,1.44,;6.52,2.77,;8.83,1.44,;9.6,2.77,;11.14,2.77,;11.91,1.44,;11.91,4.1,;12.68,2.77,;9.6,.1,;10.37,-1.23,;-.68,-1.02,;-.68,.52,;-2.01,1.29,;-2.01,2.83,;-2.01,-1.79,)|
Cc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.95,4.3,;-3.29,3.53,;-4.62,4.3,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.95,4.3,;-11.29,3.53,;-11.29,1.99,;-9.95,1.22,;-8.62,1.99,;-5.95,1.99,;-4.62,1.22,;-4.62,-.32,;-3.29,1.99,;-1.95,1.22,;-1.95,-.32,;-3.29,-1.09,;-3.29,-2.63,;-1.95,-3.4,;-.62,-2.63,;.72,-3.4,;2.05,-1.63,;3.59,-1.63,;4.36,-.3,;4.36,-2.96,;5.9,-2.96,;6.67,-4.3,;8.21,-4.3,;8.98,-2.96,;8.21,-1.63,;6.67,-1.63,;8.98,-.3,;8.21,1.04,;10.52,-.3,;11.29,-1.63,;.72,-.32,;.72,1.22,;-.62,1.99,;-.62,3.53,;-.62,-1.09,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(C)COC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.81,3.48,;-5.15,2.71,;-6.48,3.48,;-7.81,2.71,;-9.15,3.48,;-10.48,2.71,;-11.81,3.48,;-13.15,2.71,;-13.15,1.17,;-11.81,.4,;-10.48,1.17,;-7.81,1.17,;-6.48,.4,;-5.15,1.17,;-3.81,.4,;-3.81,-1.14,;-5.15,-1.91,;-5.15,-3.45,;-3.81,-4.22,;-2.48,-3.45,;-1.14,-4.22,;.19,-2.45,;1.73,-2.45,;2.5,-3.78,;2.5,-1.11,;4.04,-1.11,;4.81,-2.45,;6.35,-2.45,;7.12,-1.11,;6.35,.22,;4.81,.22,;7.12,1.55,;6.35,2.89,;8.66,1.55,;9.43,2.89,;10.97,2.89,;10.2,4.22,;12.06,1.8,;13.15,2.89,;12.06,3.98,;9.43,.22,;10.2,-1.11,;-1.14,-1.14,;-1.14,.4,;-2.48,1.17,;-2.48,2.71,;-2.48,-1.91,)|
Cc1cc(Oc2cccc3ccoc23)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.30,(-1.2,3.02,;-2.54,2.25,;-3.87,3.02,;-5.21,2.25,;-6.54,3.02,;-7.87,2.25,;-7.87,.71,;-9.21,-.06,;-10.54,.71,;-10.54,2.25,;-11.68,3.28,;-11.06,4.68,;-9.53,4.52,;-9.21,3.02,;-5.21,.71,;-3.87,-.06,;-2.54,.71,;-1.2,-.06,;-1.2,-1.6,;-2.54,-2.37,;-2.54,-3.91,;-1.2,-4.68,;.13,-3.91,;1.46,-4.68,;2.8,-2.91,;4.34,-2.91,;5.11,-4.24,;5.11,-1.57,;6.65,-1.57,;7.55,-.33,;9.02,-.8,;9.02,-2.34,;7.55,-2.82,;10.35,-3.11,;10.35,-4.65,;11.68,-2.34,;11.68,-.8,;1.46,-1.6,;1.46,-.06,;.13,.71,;.13,2.25,;.13,-2.37,)|
CNC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(13.21,-1.63,;11.67,-1.63,;10.9,-2.96,;9.36,-2.96,;8.59,-4.3,;7.05,-4.3,;6.28,-5.63,;6.28,-2.96,;7.05,-1.63,;6.28,-.3,;4.74,-.3,;3.97,-1.63,;4.74,-2.96,;2.43,-1.63,;1.66,-.3,;2.43,1.04,;.12,-.3,;-1.21,-2.07,;-2.54,-1.3,;-3.88,-2.07,;-5.21,-1.3,;-5.21,.24,;-3.88,1.01,;-3.88,2.55,;-5.21,3.32,;-6.54,2.55,;-7.88,3.32,;-7.88,4.86,;-9.21,5.63,;-10.55,4.86,;-11.88,5.63,;-13.21,4.86,;-13.21,3.32,;-11.88,2.55,;-10.55,3.32,;-6.54,5.63,;-5.21,4.86,;-3.88,5.63,;-2.54,3.32,;-2.54,4.86,;-1.21,2.55,;-1.21,1.01,;-2.54,.24,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(COc6ccccc6C#N)c5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(13.46,-2.28,;12.32,-1.25,;12.64,.26,;11.49,1.29,;10.03,.81,;9.71,-.69,;10.85,-1.72,;8.24,-1.17,;7.92,-2.68,;9.07,-3.71,;6.46,-3.15,;5.98,-4.62,;4.44,-4.62,;2.98,-5.45,;1.52,-4.6,;1.19,-2.99,;2.54,-2.25,;2.54,-.71,;1.21,.06,;1.21,1.6,;-.12,2.37,;-1.46,1.6,;-2.79,2.37,;-4.12,1.6,;-4.12,.06,;-5.46,-.71,;-6.79,.06,;-6.79,1.6,;-8.13,2.37,;-9.46,1.6,;-10.79,2.37,;-12.13,1.6,;-13.46,2.37,;-13.46,3.91,;-12.13,4.68,;-10.79,3.91,;-9.46,4.68,;-8.13,5.45,;-5.46,2.37,;-1.46,.06,;-.12,-.71,;-.12,-2.25,;3.88,.06,;3.88,1.6,;5.21,-.71,;5.21,-2.25,;3.97,-3.15,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wU:25.26,(-2.83,3.49,;-4.16,2.72,;-5.49,3.49,;-6.83,2.72,;-8.16,3.49,;-9.49,2.72,;-10.83,3.49,;-12.16,2.72,;-12.16,1.18,;-10.83,.41,;-9.49,1.18,;-6.83,1.18,;-5.49,.41,;-4.16,1.18,;-2.83,.41,;-2.83,-1.13,;-4.16,-1.9,;-4.16,-3.44,;-2.83,-4.21,;-1.49,-3.44,;-.16,-4.21,;.61,-2.46,;2.15,-2.46,;2.92,-3.79,;2.92,-1.13,;4.46,-1.13,;5.23,-2.46,;6.77,-2.46,;7.54,-1.13,;6.77,.21,;5.23,.21,;7.54,1.54,;6.77,2.87,;9.08,1.54,;9.85,2.87,;11.39,2.87,;12.16,4.21,;-.16,-1.13,;-.16,.41,;-1.49,1.18,;-1.49,2.72,;-1.49,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.58,4.47,;-4.92,3.7,;-6.25,4.47,;-7.58,3.7,;-8.92,4.47,;-10.25,3.7,;-11.59,4.47,;-12.92,3.7,;-12.92,2.16,;-11.59,1.39,;-10.25,2.16,;-7.58,2.16,;-6.25,1.39,;-4.92,2.16,;-3.58,1.39,;-3.58,-.15,;-4.92,-.92,;-4.92,-2.46,;-3.58,-3.23,;-2.25,-2.46,;-.92,-3.04,;.04,-1.6,;1.58,-1.6,;2.35,-.27,;1.58,1.07,;3.89,-.27,;4.66,-1.6,;6.2,-1.6,;6.97,-.27,;6.2,1.07,;4.66,1.07,;8.51,-.27,;9.28,1.07,;9.28,-1.6,;10.82,-1.6,;11.59,-2.93,;11.59,-4.47,;12.92,-3.7,;8.51,-2.93,;7.74,-4.27,;-.92,-.15,;-.92,1.39,;-2.25,2.16,;-2.25,3.7,;-2.25,-.92,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(.33,3.34,;-1.16,2.96,;-2.23,4.06,;-3.73,3.68,;-4.8,4.78,;-6.29,4.39,;-7.37,5.49,;-8.86,5.11,;-9.28,3.63,;-8.2,2.53,;-6.71,2.91,;-4.14,2.19,;-3.06,1.09,;-1.57,1.48,;-.49,.37,;-.91,-1.11,;-2.4,-1.49,;-2.81,-2.97,;-1.74,-4.07,;-.24,-3.69,;1.04,-4.54,;2.25,-3.59,;3.73,-4,;4.11,-5.49,;4.83,-2.92,;6.31,-3.34,;6.69,-4.83,;8.18,-5.24,;9.28,-4.17,;8.9,-2.68,;7.41,-2.26,;1.66,-1.83,;2.08,-.34,;1,.76,;1.41,2.24,;.17,-2.21,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4F)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-2.09,3.85,;-3.42,3.08,;-4.76,3.85,;-6.09,3.08,;-7.43,3.85,;-8.76,3.08,;-10.09,3.85,;-11.43,3.08,;-11.43,1.54,;-10.09,.77,;-8.76,1.54,;-6.09,1.54,;-4.76,.77,;-3.42,1.54,;-2.09,.77,;-2.09,-.77,;-3.42,-1.54,;-3.42,-3.08,;-2.09,-3.85,;-.78,-3.04,;.57,-3.72,;1.4,-2.28,;2.94,-2.3,;3.7,-3.64,;3.73,-.98,;5.24,-1,;6.14,.24,;7.6,-.24,;7.6,-1.78,;6.14,-2.25,;5.66,-3.71,;8.85,.66,;8.57,2.18,;10.34,.26,;11.43,1.35,;.58,-.77,;.58,.77,;-.76,1.54,;-.76,3.08,;-.76,-1.54,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.13,4.37,;-3.46,3.6,;-4.79,4.37,;-6.13,3.6,;-7.46,4.37,;-8.79,3.6,;-8.79,2.06,;-10.13,1.29,;-11.46,2.06,;-11.46,3.6,;-10.13,4.37,;-6.13,2.06,;-4.79,1.29,;-3.46,2.06,;-2.13,1.29,;-2.13,-.25,;-3.46,-1.02,;-3.46,-2.56,;-2.13,-3.33,;-.79,-2.56,;.67,-3.04,;1.58,-1.79,;3.12,-1.79,;3.89,-.46,;3.89,-3.12,;5.43,-3.12,;6.33,-4.37,;7.8,-3.89,;7.8,-2.35,;6.33,-1.88,;8.89,-1.26,;8.49,.22,;10.37,-1.66,;11.46,-.57,;.54,-.25,;.54,1.29,;-.79,2.06,;-.79,3.6,;-.79,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4COCCN(C4)C#N)c([nH]c1=O)c23 |(-.8,4.47,;-2.13,3.7,;-3.47,4.47,;-4.8,3.7,;-6.13,4.47,;-7.47,3.7,;-8.8,4.47,;-10.13,3.7,;-10.13,2.16,;-8.8,1.39,;-7.47,2.16,;-4.8,2.16,;-3.47,1.39,;-2.13,2.16,;-.8,1.39,;-.8,-.15,;-2.13,-.92,;-2.13,-2.46,;-.8,-3.23,;.54,-2.46,;2.02,-2.86,;2.86,-1.57,;4.4,-1.57,;5.17,-.24,;5.17,-2.9,;6.71,-2.9,;7.48,-4.24,;9,-4.47,;10.13,-3.42,;10.02,-1.88,;8.75,-1.02,;7.27,-1.47,;8.75,.52,;8.75,2.06,;1.87,-.15,;1.87,1.39,;.54,2.16,;.54,3.7,;.54,-.92,)|
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.67,4.35,;-3,3.58,;-4.34,4.35,;-5.67,3.58,;-7,4.35,;-8.34,3.58,;-8.34,2.04,;-9.67,1.27,;-11.01,2.04,;-11.01,3.58,;-9.67,4.35,;-5.67,2.04,;-4.34,1.27,;-3,2.04,;-1.67,1.27,;-1.67,-.27,;-3,-1.04,;-3,-2.58,;-1.67,-3.35,;-.34,-2.58,;1.04,-3.18,;1.77,-1.68,;3.31,-1.69,;4.08,-.35,;4.08,-3.02,;5.62,-3.02,;6.39,-4.35,;7.93,-4.35,;8.7,-3.02,;7.93,-1.69,;6.39,-1.69,;8.7,-.35,;7.93,.98,;10.24,-.35,;11.01,.98,;1,-.27,;1,1.27,;-.34,2.04,;-.34,3.58,;-.34,-1.04,)|
Cc1cc(Oc2cccnc2C)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.8,3.08,;-3.14,2.31,;-4.47,3.08,;-5.8,2.31,;-7.14,3.08,;-8.47,2.31,;-8.47,.77,;-9.81,,;-11.14,.77,;-11.14,2.31,;-9.81,3.08,;-9.81,4.62,;-5.8,.77,;-4.47,,;-3.14,.77,;-1.8,,;-1.8,-1.54,;-3.14,-2.31,;-3.14,-3.85,;-1.8,-4.62,;-.47,-3.85,;.99,-4.33,;1.9,-3.08,;3.44,-3.08,;4.21,-4.41,;4.21,-1.75,;5.75,-1.75,;6.52,-3.08,;8.06,-3.08,;8.83,-1.75,;8.06,-.41,;6.52,-.41,;8.83,.92,;8.06,2.25,;10.37,.92,;11.14,2.25,;.86,-1.54,;.86,,;-.47,.77,;-.47,2.31,;-.47,-2.31,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.66,3.85,;-3,3.08,;-4.33,3.85,;-5.66,3.08,;-7,3.85,;-8.33,3.08,;-8.33,1.54,;-9.66,.77,;-11,1.54,;-11,3.08,;-9.66,3.85,;-5.66,1.54,;-4.33,.77,;-3,1.54,;-1.66,.77,;-1.66,-.77,;-3,-1.54,;-3,-3.08,;-1.66,-3.85,;-.33,-3.08,;1.05,-3.68,;1.78,-2.18,;3.32,-2.19,;4.08,-3.53,;4.09,-.86,;5.61,-.86,;6.38,-2.19,;7.92,-2.19,;8.69,-.86,;7.92,.48,;6.38,.48,;8.69,1.81,;7.92,3.14,;10.23,1.81,;11,3.14,;1.01,-.77,;1.01,.77,;-.33,1.54,;-.33,3.08,;-.33,-1.54,)|
Cc1cc(OC2CCCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.47,3.85,;-2.8,3.08,;-4.14,3.85,;-5.47,3.08,;-6.8,3.85,;-8.14,3.08,;-9.47,3.85,;-10.81,3.08,;-10.81,1.54,;-9.47,.77,;-8.14,1.54,;-5.47,1.54,;-4.14,.77,;-2.8,1.54,;-1.47,.77,;-1.47,-.77,;-2.8,-1.54,;-2.8,-3.08,;-1.47,-3.85,;-.16,-3.04,;1.2,-3.72,;2.02,-2.28,;3.56,-2.3,;4.32,-3.64,;4.35,-.98,;5.86,-1,;6.76,-2.25,;8.22,-1.78,;8.22,-.24,;6.76,.24,;9.47,.66,;10.81,-.11,;9.47,2.2,;10.81,2.97,;1.2,-.77,;1.2,.77,;-.14,1.54,;-.14,3.08,;-.14,-1.54,)|
COC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:15.17,(12.95,.24,;12.18,-1.09,;10.64,-1.09,;11.41,.24,;11.41,-2.43,;9.1,-1.09,;8.33,-2.43,;9.1,-3.76,;9.87,-5.09,;6.79,-2.43,;6.02,-3.76,;6.02,-1.09,;6.79,.24,;6.02,1.57,;4.48,1.57,;3.71,.24,;4.48,-1.09,;2.2,.27,;1.42,-1.06,;2.17,-2.4,;-.12,-1.04,;-.95,-2.48,;-2.31,-1.8,;-3.62,-2.61,;-4.95,-1.84,;-4.95,-.3,;-3.62,.47,;-3.62,2.01,;-4.95,2.78,;-6.28,2.01,;-7.62,2.78,;-7.62,4.32,;-8.95,5.09,;-10.28,4.32,;-11.62,5.09,;-12.95,4.32,;-12.95,2.78,;-11.62,2.01,;-10.28,2.78,;-6.28,5.09,;-4.95,4.32,;-3.62,5.09,;-2.28,2.78,;-2.28,4.32,;-.95,2.01,;-.95,.47,;-2.28,-.3,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.13,5.09,;-4.46,4.32,;-5.79,5.09,;-7.13,4.32,;-8.46,5.09,;-9.8,4.32,;-11.13,5.09,;-12.46,4.32,;-12.46,2.78,;-11.13,2.01,;-9.8,2.78,;-7.13,2.78,;-5.79,2.01,;-4.46,2.78,;-3.13,2.01,;-3.13,.47,;-4.46,-.3,;-4.46,-1.84,;-3.13,-2.61,;-1.82,-1.79,;-.46,-2.48,;.36,-1.04,;1.9,-1.06,;2.66,-2.4,;2.69,.27,;4.2,.24,;4.97,1.57,;6.51,1.57,;7.28,.24,;6.51,-1.09,;4.97,-1.09,;7.28,-2.43,;6.51,-3.76,;8.82,-2.43,;9.59,-1.09,;11.13,-1.09,;12.46,-1.86,;12.46,-.32,;9.59,-3.76,;10.36,-5.09,;-.46,.47,;-.46,2.01,;-1.79,2.78,;-1.79,4.32,;-1.79,-.3,)|
CC#CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(12.27,1.81,;10.73,1.81,;9.19,1.81,;7.65,1.81,;6.88,3.15,;6.88,.48,;7.65,-.85,;6.88,-2.19,;5.34,-2.19,;4.57,-.85,;5.34,.48,;3.03,-.85,;2.26,-2.19,;3.03,-3.52,;.72,-2.19,;-.12,-3.48,;-1.6,-3.08,;-2.94,-3.85,;-4.27,-3.08,;-4.27,-1.54,;-2.94,-.77,;-2.94,.77,;-4.27,1.54,;-5.6,.77,;-6.94,1.54,;-6.94,3.08,;-8.27,3.85,;-9.61,3.08,;-10.94,3.85,;-12.27,3.08,;-12.27,1.54,;-10.94,.77,;-9.61,1.54,;-5.6,3.85,;-4.27,3.08,;-2.94,3.85,;-1.6,1.54,;-1.6,3.08,;-.27,.77,;-.27,-.77,;-1.6,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCOCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4,5.09,;-5.33,4.32,;-6.67,5.09,;-8,4.32,;-9.34,5.09,;-10.67,4.32,;-12,5.09,;-13.34,4.32,;-13.34,2.78,;-12,2.01,;-10.67,2.78,;-8,2.78,;-6.67,2.01,;-5.33,2.78,;-4,2.01,;-4,.47,;-5.33,-.3,;-5.33,-1.84,;-4,-2.61,;-2.69,-1.79,;-1.33,-2.48,;-.51,-1.04,;1.03,-1.06,;1.79,-2.4,;1.82,.27,;3.33,.24,;4.1,1.57,;5.64,1.57,;6.41,.24,;5.64,-1.09,;4.1,-1.09,;6.41,-2.43,;5.64,-3.76,;7.95,-2.43,;8.72,-1.09,;10.26,-1.09,;11.03,.24,;9.49,.24,;11.03,-2.43,;10.26,-3.76,;11.03,-5.09,;12.57,-5.09,;13.34,-3.76,;12.57,-2.43,;8.72,-3.76,;9.49,-5.09,;-1.33,.47,;-1.33,2.01,;-2.67,2.78,;-2.67,4.32,;-2.67,-.3,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.69,4.43,;-3.02,3.66,;-4.36,4.43,;-5.69,3.66,;-7.03,4.43,;-8.36,3.66,;-9.69,4.43,;-11.03,3.66,;-11.03,2.12,;-9.69,1.35,;-8.36,2.12,;-5.69,2.12,;-4.36,1.35,;-3.02,2.12,;-1.69,1.35,;-1.69,-.19,;-3.02,-.96,;-3.02,-2.5,;-1.69,-3.27,;-.38,-2.46,;.97,-3.15,;1.8,-1.71,;3.34,-1.72,;4.1,-3.07,;4.13,-.4,;5.64,-.43,;6.41,.91,;7.95,.91,;8.72,-.43,;7.95,-1.76,;6.41,-1.76,;8.72,-3.09,;7.95,-4.43,;10.26,-3.09,;11.03,-1.76,;.98,-.19,;.98,1.35,;-.36,2.12,;-.36,3.66,;-.36,-.96,)|
Cc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.47,4.04,;-2.8,3.27,;-4.14,4.04,;-5.47,3.27,;-6.8,4.04,;-8.14,3.27,;-9.47,4.04,;-10.8,3.27,;-10.8,1.73,;-9.47,.96,;-8.14,1.73,;-5.47,1.73,;-4.14,.96,;-4.14,-.58,;-2.8,1.73,;-1.47,.96,;-1.47,-.58,;-2.8,-1.35,;-2.8,-2.89,;-1.47,-3.66,;-.16,-2.85,;1.2,-3.53,;2.02,-2.1,;3.56,-2.11,;4.32,-3.45,;4.35,-.79,;5.86,-.81,;6.76,.43,;8.23,-.05,;8.23,-1.59,;6.76,-2.06,;9.47,-2.5,;9.47,-4.04,;10.8,-1.73,;10.8,-.19,;1.2,-.58,;1.2,.96,;-.13,1.73,;-.13,3.27,;-.13,-1.35,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C#C)c([nH]c1=O)c23 |r,wU:25.26,(-2.08,3.85,;-3.41,3.08,;-4.74,3.85,;-6.08,3.08,;-7.41,3.85,;-8.74,3.08,;-10.08,3.85,;-11.41,3.08,;-11.41,1.54,;-10.08,.77,;-8.74,1.54,;-6.08,1.54,;-4.74,.77,;-3.41,1.54,;-2.08,.77,;-2.08,-.77,;-3.41,-1.54,;-3.41,-3.08,;-2.08,-3.85,;-.77,-3.04,;.59,-3.72,;1.42,-2.28,;2.96,-2.3,;3.71,-3.64,;3.74,-.98,;5.25,-1,;6.02,-2.34,;7.56,-2.34,;8.33,-1,;7.56,.33,;6.02,.33,;8.33,1.66,;7.56,3,;9.87,1.66,;11.41,1.66,;.59,-.77,;.59,.77,;-.74,1.54,;-.74,3.08,;-.74,-1.54,)|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(F)=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;11.12,.98,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-1.6,3.96,;-2.93,3.19,;-4.27,3.96,;-5.6,3.19,;-6.93,3.96,;-8.27,3.19,;-9.6,3.96,;-10.93,3.19,;-10.93,1.65,;-9.6,.88,;-8.27,1.65,;-5.6,1.65,;-4.27,.88,;-2.93,1.65,;-1.6,.88,;-1.6,-.66,;-2.93,-1.43,;-2.93,-2.97,;-1.6,-3.74,;-.26,-2.97,;1.22,-3.37,;2.06,-2.08,;3.6,-2.08,;4.37,-3.41,;4.37,-.74,;5.91,-.74,;6.82,-1.99,;8.28,-1.51,;8.28,.03,;6.82,.5,;6.34,1.97,;9.53,-2.42,;9.53,-3.96,;10.93,-1.79,;10.93,-.25,;1.07,-.66,;1.07,.88,;-.26,1.65,;-.26,3.19,;-.26,-1.43,)|
Cc1cc(OC2CC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:22.23,(-2.27,3.85,;-3.6,3.08,;-4.94,3.85,;-6.27,3.08,;-7.6,3.85,;-8.94,3.08,;-10.48,3.08,;-9.71,1.75,;-6.27,1.54,;-4.94,.77,;-3.6,1.54,;-2.27,.77,;-2.27,-.77,;-3.6,-1.54,;-3.6,-3.08,;-2.27,-3.85,;-.96,-3.04,;.4,-3.72,;1.22,-2.28,;2.76,-2.3,;3.52,-3.64,;3.55,-.98,;5.09,-.98,;5.86,-2.31,;7.4,-2.31,;8.17,-.98,;7.4,.36,;5.86,.36,;8.17,1.69,;7.4,3.02,;9.71,1.69,;10.48,3.02,;.4,-.77,;.4,.77,;-.94,1.54,;-.94,3.08,;-.94,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5c(F)cccc5F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.87,.89,;9.1,-.44,;9.87,-1.77,;9.1,-3.11,;7.56,-3.11,;6.79,-1.77,;7.56,-.44,;5.28,-1.75,;4.5,-3.07,;5.25,-4.41,;2.96,-3.05,;2.13,-4.49,;.77,-3.81,;-.54,-4.62,;-1.87,-3.85,;-1.87,-2.31,;-.54,-1.54,;-.54,,;-1.87,.77,;-3.2,,;-4.54,.77,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-8.54,3.08,;-8.54,4.62,;-9.87,2.31,;-9.87,.77,;-8.54,,;-7.2,.77,;-5.87,,;-3.2,3.08,;-1.87,2.31,;-.54,3.08,;.8,.77,;.8,2.31,;2.13,,;2.13,-1.54,;.8,-2.31,)|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23)C(=O)C=C |r,wU:6.7,wD:2.1,(6.64,-4.36,;5.61,-3.21,;6.09,-1.75,;7.56,-1.27,;7.56,.27,;6.09,.75,;5.19,-.5,;3.68,-.47,;2.9,-1.8,;3.65,-3.14,;1.36,-1.78,;.53,-3.22,;-.83,-2.53,;-2.14,-3.34,;-3.47,-2.57,;-3.47,-1.03,;-2.14,-.26,;-2.14,1.28,;-3.47,2.05,;-4.8,1.28,;-6.14,2.05,;-6.14,3.59,;-7.47,4.36,;-8.8,3.59,;-10.14,4.36,;-11.47,3.59,;-11.47,2.05,;-10.14,1.28,;-8.8,2.05,;-4.8,4.36,;-3.47,3.59,;-2.14,4.36,;-.8,2.05,;-.8,3.59,;.53,1.28,;.53,-.26,;-.8,-1.03,;8.8,1.17,;8.8,2.71,;10.14,.4,;11.47,1.17,)|
CC#CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(12.16,1.9,;10.62,1.9,;9.08,1.9,;7.54,1.9,;6.77,3.23,;6.77,.56,;7.54,-.77,;6.77,-2.1,;5.23,-2.1,;4.46,-.77,;5.23,.56,;2.92,-.77,;2.15,-2.1,;2.92,-3.44,;.61,-2.1,;-.16,-3.44,;-1.49,-3.08,;-2.83,-3.85,;-4.16,-3.08,;-4.16,-1.54,;-2.83,-.77,;-2.83,.77,;-4.16,1.54,;-5.49,.77,;-6.83,1.54,;-6.83,3.08,;-8.16,3.85,;-9.49,3.08,;-10.83,3.85,;-12.16,3.08,;-12.16,1.54,;-10.83,.77,;-9.49,1.54,;-5.49,3.85,;-4.16,3.08,;-2.83,3.85,;-1.49,1.54,;-1.49,3.08,;-.16,.77,;-.16,-.77,;-1.49,-1.54,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(9.49,-5.09,;10.26,-3.76,;11.8,-3.76,;9.49,-2.43,;7.95,-2.43,;7.18,-3.76,;7.18,-1.09,;7.95,.24,;7.18,1.57,;5.64,1.57,;4.87,.24,;5.64,-1.09,;3.36,.27,;2.57,-1.06,;3.33,-2.4,;1.03,-1.04,;.2,-2.48,;-1.15,-1.79,;-2.46,-2.61,;-3.79,-1.84,;-3.79,-.3,;-2.46,.47,;-2.46,2.01,;-3.79,2.78,;-5.13,2.01,;-6.46,2.78,;-6.46,4.32,;-7.8,5.09,;-9.13,4.32,;-10.46,5.09,;-11.8,4.32,;-11.8,2.78,;-10.46,2.01,;-9.13,2.78,;-5.13,5.09,;-3.79,4.32,;-2.46,5.09,;-1.13,2.78,;-1.13,4.32,;.21,2.01,;.21,.47,;-1.13,-.3,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5F)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.87,.89,;9.1,-.44,;9.87,-1.77,;9.1,-3.11,;7.56,-3.11,;6.79,-1.77,;7.56,-.44,;5.28,-1.75,;4.5,-3.07,;5.25,-4.41,;2.96,-3.05,;2.13,-4.49,;.77,-3.81,;-.54,-4.62,;-1.87,-3.85,;-1.87,-2.31,;-.54,-1.54,;-.54,,;-1.87,.77,;-3.2,,;-4.54,.77,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-7.2,.77,;-8.54,,;-9.87,.77,;-9.87,2.31,;-8.54,3.08,;-8.54,4.62,;-3.2,3.08,;-1.87,2.31,;-.54,3.08,;.8,.77,;.8,2.31,;2.13,,;2.13,-1.54,;.8,-2.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-2.2,3.85,;-3.53,3.08,;-4.86,3.85,;-6.2,3.08,;-7.53,3.85,;-8.86,3.08,;-10.2,3.85,;-11.53,3.08,;-11.53,1.54,;-10.2,.77,;-8.86,1.54,;-6.2,1.54,;-4.86,.77,;-3.53,1.54,;-2.2,.77,;-2.2,-.77,;-3.53,-1.54,;-3.53,-3.08,;-2.2,-3.85,;-.89,-3.04,;.47,-3.72,;1.3,-2.28,;2.84,-2.3,;3.59,-3.64,;3.62,-.98,;5.16,-.98,;6.07,.27,;7.53,-.21,;7.53,-1.75,;6.07,-2.22,;5.59,-3.69,;8.86,.56,;8.86,2.1,;10.2,-.21,;11.53,.56,;.47,-.77,;.47,.77,;-.86,1.54,;-.86,3.08,;-.86,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.93,-1.18,;9.16,-2.51,;9.93,-3.85,;9.16,-5.18,;7.62,-5.18,;6.85,-3.85,;7.62,-2.51,;5.19,-3.85,;4.44,-2.51,;5.22,-1.19,;2.9,-2.49,;2.07,-3.93,;.71,-3.25,;-.6,-4.06,;-1.93,-3.29,;-1.93,-1.75,;-.6,-.98,;-.6,.56,;-1.93,1.33,;-3.26,.56,;-4.6,1.33,;-4.6,2.87,;-5.93,3.64,;-7.26,2.87,;-8.6,3.64,;-9.93,2.87,;-9.93,1.33,;-8.6,.56,;-7.26,1.33,;-3.26,3.64,;-3.26,5.18,;-1.93,2.87,;-.6,3.64,;.74,1.33,;.74,2.87,;2.07,.56,;2.07,-.98,;.74,-1.75,)|
CCCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.03,3,;10.26,1.66,;8.72,1.66,;7.95,.33,;8.72,-1,;7.95,-2.34,;6.41,-2.34,;5.64,-1,;6.41,.33,;4.13,-.98,;3.34,-2.3,;4.1,-3.64,;1.8,-2.28,;.98,-3.72,;-.38,-3.04,;-1.69,-3.85,;-3.02,-3.08,;-3.02,-1.54,;-1.69,-.77,;-1.69,.77,;-3.02,1.54,;-4.36,.77,;-5.69,1.54,;-5.69,3.08,;-7.03,3.85,;-8.36,3.08,;-9.69,3.85,;-11.03,3.08,;-11.03,1.54,;-9.69,.77,;-8.36,1.54,;-4.36,3.85,;-3.02,3.08,;-1.69,3.85,;-.36,1.54,;-.36,3.08,;.98,.77,;.98,-.77,;-.36,-1.54,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:26.27,(-.54,3.08,;-1.87,2.31,;-3.2,3.08,;-3.2,4.62,;-4.54,2.31,;-5.87,3.08,;-7.2,2.31,;-8.54,3.08,;-9.87,2.31,;-9.87,.77,;-8.54,,;-7.2,.77,;-4.54,.77,;-3.2,,;-1.87,.77,;-.54,,;-.54,-1.54,;-1.87,-2.31,;-1.87,-3.85,;-.54,-4.62,;.77,-3.81,;2.13,-4.49,;2.96,-3.05,;4.5,-3.07,;5.25,-4.41,;5.28,-1.75,;6.79,-1.77,;7.56,-3.11,;9.1,-3.11,;9.87,-1.77,;9.1,-.44,;7.56,-.44,;2.13,-1.54,;2.13,,;.8,.77,;.8,2.31,;.8,-2.31,)|
CCc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:20.20,(-9.69,3.64,;-8.36,4.41,;-7.03,3.64,;-7.03,2.1,;-5.69,1.33,;-4.36,2.1,;-4.36,3.64,;-3.02,4.41,;-5.69,4.41,;-3.02,1.33,;-3.02,-.21,;-4.36,-.98,;-4.36,-2.52,;-3.02,-3.29,;-1.72,-2.48,;-.36,-3.16,;.47,-1.72,;2.01,-1.74,;2.79,-.41,;2.76,-3.08,;4.3,-3.08,;5.07,-4.41,;6.61,-4.41,;7.38,-3.08,;6.61,-1.75,;5.07,-1.75,;7.38,-.41,;6.61,.92,;8.92,-.41,;9.69,.92,;-.36,-.21,;-.36,1.33,;-1.69,2.1,;-1.69,3.64,;-1.69,-.98,)|
Cc1cc(Oc2c(F)cccc2F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:27.28,(-1.66,3.63,;-2.99,2.86,;-4.33,3.63,;-5.66,2.86,;-6.99,3.63,;-8.33,2.86,;-8.33,1.32,;-7.04,.58,;-9.66,.55,;-10.99,1.32,;-10.99,2.86,;-9.66,3.63,;-9.66,5.12,;-5.66,1.32,;-4.33,.55,;-2.99,1.32,;-1.66,.55,;-1.66,-.99,;-2.99,-1.76,;-2.99,-3.3,;-1.66,-4.07,;-.32,-3.3,;1.14,-3.78,;1.78,-2.45,;3.32,-2.45,;4.09,-3.78,;4.09,-1.12,;5.63,-1.12,;6.4,.22,;7.94,.22,;8.71,-1.12,;7.94,-2.45,;6.4,-2.45,;8.71,-3.78,;7.94,-5.12,;10.25,-3.78,;10.99,-2.5,;1.01,-.99,;1.01,.55,;-.32,1.32,;-.32,2.86,;-.32,-1.76,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.67,4.37,;-3.01,3.6,;-4.34,4.37,;-5.67,3.6,;-7.01,4.37,;-8.34,3.6,;-8.34,2.06,;-9.67,1.29,;-11.01,2.06,;-11.01,3.6,;-9.67,4.37,;-5.67,2.06,;-4.34,1.29,;-3.01,2.06,;-1.67,1.29,;-1.67,-.25,;-3.01,-1.02,;-3.01,-2.56,;-1.67,-3.33,;-.34,-2.56,;1.13,-3.03,;1.77,-1.71,;3.31,-1.71,;4.08,-.37,;4.08,-3.04,;5.62,-3.04,;6.39,-4.37,;7.93,-4.37,;8.7,-3.04,;7.93,-1.71,;6.39,-1.71,;8.7,-.37,;7.93,.96,;10.24,-.37,;11.01,.96,;1,-.25,;1,1.29,;-.34,2.06,;-.34,3.6,;-.34,-1.02,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:21.21,(-10.38,3.85,;-9.05,3.08,;-7.72,3.85,;-6.38,3.08,;-6.38,1.54,;-5.05,.77,;-3.71,1.54,;-3.71,3.08,;-2.38,3.85,;-5.05,3.85,;-2.38,.77,;-2.38,-.77,;-3.71,-1.54,;-3.71,-3.08,;-2.38,-3.85,;-1.05,-3.08,;.57,-3.28,;1.21,-2.23,;2.68,-2.19,;3.45,-3.52,;3.45,-.86,;4.99,-.86,;5.76,-2.19,;7.3,-2.19,;8.07,-.86,;7.3,.48,;5.76,.48,;8.07,1.81,;7.3,3.15,;9.61,1.81,;10.38,3.15,;.29,-.77,;.29,.77,;-1.05,1.54,;-1.05,3.08,;-1.05,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.52,4.37,;-1.85,3.6,;-3.18,4.37,;-4.52,3.6,;-5.85,4.37,;-7.18,3.6,;-7.18,2.06,;-8.52,1.29,;-9.85,2.06,;-9.85,3.6,;-8.52,4.37,;-4.52,2.06,;-3.18,1.29,;-1.85,2.06,;-.52,1.29,;-.52,-.25,;-1.85,-1.02,;-1.85,-2.56,;-.52,-3.33,;.82,-2.56,;2.28,-3.03,;2.92,-1.71,;4.46,-1.71,;5.23,-.37,;5.23,-3.04,;6.77,-3.04,;7.54,-4.37,;9.08,-4.37,;9.85,-3.04,;9.08,-1.71,;7.54,-1.71,;2.15,-.25,;2.15,1.29,;.82,2.06,;.82,3.6,;.82,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-.16,4.33,;-1.5,3.56,;-2.83,4.33,;-4.16,3.56,;-5.5,4.33,;-6.83,3.56,;-6.83,2.02,;-8.16,1.25,;-9.5,2.02,;-9.5,3.56,;-8.16,4.33,;-4.16,2.02,;-2.83,1.25,;-1.5,2.02,;-.16,1.25,;-.16,-.29,;-1.5,-1.06,;-1.5,-2.6,;-.16,-3.37,;1.17,-2.6,;2.64,-3.08,;3.28,-1.75,;4.82,-1.75,;5.59,-.42,;5.59,-3.08,;7.13,-3.08,;8.03,-4.33,;9.5,-3.85,;9.5,-2.31,;8.03,-1.84,;2.51,-.29,;2.51,1.25,;1.17,2.02,;1.17,3.56,;1.17,-1.06,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:26.27,(-1.67,3.85,;-3.01,3.08,;-4.34,3.85,;-5.67,3.08,;-7.01,3.85,;-8.34,3.08,;-9.67,3.85,;-11.01,3.08,;-11.01,1.54,;-9.67,.77,;-8.34,1.54,;-5.67,1.54,;-4.34,.77,;-4.34,-.77,;-3.01,1.54,;-1.67,.77,;-1.67,-.77,;-3.01,-1.54,;-3.01,-3.08,;-1.67,-3.85,;-.34,-3.08,;1.13,-3.56,;1.77,-2.23,;3.31,-2.23,;4.08,-3.57,;4.08,-.9,;5.62,-.9,;6.39,-2.23,;7.93,-2.23,;8.7,-.9,;7.93,.44,;6.39,.44,;8.7,1.77,;7.93,3.1,;10.24,1.77,;11.01,3.1,;1,-.77,;1,.77,;-.34,1.54,;-.34,3.08,;-.34,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc6ccoc56)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.42,-1.21,;9.65,-2.54,;10.42,-3.87,;9.65,-5.21,;8.11,-5.21,;7.34,-3.87,;8.11,-2.54,;5.8,-3.87,;5.03,-2.54,;5.8,-1.21,;3.49,-2.54,;2.85,-3.87,;1.39,-3.39,;.06,-4.16,;-1.28,-3.39,;-1.28,-1.85,;.06,-1.08,;.06,.46,;-1.28,1.23,;-2.61,.46,;-3.95,1.23,;-3.95,2.77,;-5.28,3.54,;-6.61,2.77,;-6.61,1.23,;-7.95,.46,;-9.28,1.23,;-9.28,2.77,;-10.42,3.8,;-9.8,5.21,;-8.27,5.05,;-7.95,3.54,;-2.61,3.54,;-1.28,2.77,;.06,3.54,;1.39,1.23,;1.39,2.77,;2.72,.46,;2.72,-1.08,;1.39,-1.85,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:26.27,(-.52,3,;-1.85,2.23,;-3.18,3,;-3.18,4.7,;-4.52,2.23,;-5.85,3,;-7.18,2.23,;-8.52,3,;-9.85,2.23,;-9.85,.69,;-8.52,-.08,;-7.18,.69,;-4.52,.69,;-3.18,-.08,;-1.85,.69,;-.52,-.08,;-.52,-1.62,;-1.85,-2.39,;-1.85,-3.93,;-.52,-4.7,;.82,-3.93,;2.28,-4.41,;2.92,-3.08,;4.46,-3.08,;5.23,-4.42,;5.23,-1.75,;6.77,-1.75,;7.54,-3.08,;9.08,-3.08,;9.85,-1.75,;9.08,-.42,;7.54,-.42,;2.15,-1.62,;2.15,-.08,;.82,.69,;.82,2.23,;.82,-2.39,)|
COCCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(12.83,.64,;11.5,-.13,;10.16,.64,;8.83,-.13,;7.5,.64,;7.5,2.18,;6.16,-.13,;6.16,-1.67,;4.7,-2.14,;3.79,-.9,;4.7,.35,;2.25,-.9,;1.48,-2.23,;2.25,-3.57,;-.06,-2.23,;-.7,-3.56,;-2.16,-3.08,;-3.5,-3.85,;-4.83,-3.08,;-4.83,-1.54,;-3.5,-.77,;-3.5,.77,;-4.83,1.54,;-6.16,.77,;-7.5,1.54,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-11.5,3.85,;-12.83,3.08,;-12.83,1.54,;-11.5,.77,;-10.16,1.54,;-6.16,3.85,;-4.83,3.08,;-3.5,3.85,;-2.16,1.54,;-2.16,3.08,;-.83,.77,;-.83,-.77,;-2.16,-1.54,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:27.28,(-7.27,5,;-8.6,4.23,;-8.6,2.69,;-9.93,1.93,;-9.93,.39,;-8.6,-.38,;-7.27,.39,;-7.27,1.93,;-5.93,2.69,;-4.6,1.93,;-4.6,.39,;-3.27,-.38,;-1.93,.39,;-1.93,1.93,;-.6,2.69,;-3.27,2.69,;-.6,-.38,;-.6,-1.93,;-1.93,-2.69,;-1.93,-4.23,;-.6,-5,;.74,-4.23,;2.31,-4.49,;3.04,-3.19,;4.54,-3.18,;5.31,-4.52,;5.31,-1.85,;6.85,-1.85,;7.62,-3.18,;9.16,-3.18,;9.93,-1.85,;9.16,-.52,;9.93,.82,;7.62,-.52,;2.07,-1.93,;2.07,-.38,;.74,.39,;.74,1.93,;.74,-2.69,)|
CCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(9.08,3.1,;9.85,1.77,;9.08,.44,;9.85,-.9,;9.08,-2.23,;7.54,-2.23,;6.77,-.9,;7.54,.44,;5.23,-.9,;4.46,-2.23,;5.23,-3.57,;2.92,-2.23,;2.28,-3.56,;.82,-3.08,;-.52,-3.85,;-1.85,-3.08,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.18,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-7.18,3.08,;-8.52,3.85,;-9.85,3.08,;-9.85,1.54,;-8.52,.77,;-7.18,1.54,;-3.18,3.85,;-1.85,3.08,;-.52,3.85,;.82,1.54,;.82,3.08,;2.15,.77,;2.15,-.77,;.82,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wU:25.26,(-2.44,3.85,;-3.78,3.08,;-5.11,3.85,;-6.44,3.08,;-7.78,3.85,;-9.11,3.08,;-10.44,3.85,;-11.78,3.08,;-11.78,1.54,;-10.44,.77,;-9.11,1.54,;-6.44,1.54,;-5.11,.77,;-3.78,1.54,;-2.44,.77,;-2.44,-.77,;-3.78,-1.54,;-3.78,-3.08,;-2.44,-3.85,;-1.11,-3.08,;.36,-3.56,;1,-2.23,;2.54,-2.23,;3.31,-3.57,;3.31,-.9,;4.85,-.9,;5.62,-2.23,;7.16,-2.23,;7.93,-.9,;7.16,.44,;5.62,.44,;7.93,1.77,;7.16,3.1,;9.47,1.77,;10.24,.44,;11.78,.44,;.23,-.77,;.23,.77,;-1.11,1.54,;-1.11,3.08,;-1.11,-1.54,)|
CCc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:27.28,(-9.78,5.53,;-11.11,4.76,;-11.11,3.22,;-12.44,2.45,;-12.44,.91,;-11.11,.14,;-9.78,.91,;-9.78,2.45,;-8.44,3.22,;-7.11,2.45,;-7.11,.91,;-5.78,.14,;-4.44,.91,;-4.44,2.45,;-3.11,3.22,;-5.78,3.22,;-3.11,.14,;-3.11,-1.4,;-4.44,-2.17,;-4.44,-3.71,;-3.11,-4.48,;-1.77,-3.71,;-.31,-4.19,;.33,-2.86,;1.87,-2.86,;2.64,-1.53,;2.64,-4.2,;4.18,-4.2,;4.95,-5.53,;6.49,-5.53,;7.26,-4.2,;6.49,-2.86,;4.95,-2.86,;7.26,-1.53,;6.49,-.19,;8.8,-1.53,;9.57,-2.86,;11.11,-2.86,;12.44,-3.63,;12.44,-2.09,;9.57,-.19,;10.34,1.14,;-.44,-1.4,;-.44,.14,;-1.77,.91,;-1.77,2.45,;-1.77,-2.17,)|
Cc1c(Oc2ccccc2)ccc(c1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-4.12,4.83,;-4.12,3.13,;-5.45,2.36,;-6.79,3.13,;-8.12,2.36,;-9.45,3.13,;-10.79,2.36,;-10.79,.82,;-9.45,.05,;-8.12,.82,;-5.45,.82,;-4.12,.05,;-2.78,.82,;-2.78,2.36,;-1.45,3.13,;-1.45,.05,;-1.45,-1.49,;-2.78,-2.26,;-2.78,-3.8,;-1.45,-4.57,;-.12,-3.8,;1.35,-4.28,;1.99,-2.95,;3.53,-2.95,;4.3,-4.29,;4.3,-1.62,;5.84,-1.62,;6.74,-.37,;8.21,-.85,;8.21,-2.39,;6.74,-2.86,;9.45,-3.29,;9.45,-4.83,;10.79,-2.52,;10.79,-.98,;1.22,-1.49,;1.22,.05,;-.12,.82,;-.12,2.36,;-.12,-2.26,)|
Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.11,3.62,;-4.45,2.85,;-5.78,3.62,;-7.11,2.85,;-8.45,3.62,;-9.78,2.85,;-11.12,3.62,;-12.45,2.85,;-12.45,1.31,;-11.12,.54,;-9.78,1.31,;-7.11,1.31,;-5.78,.54,;-4.45,1.31,;-3.11,.54,;-3.11,-1,;-4.45,-1.77,;-4.45,-3.31,;-3.11,-4.08,;-1.78,-3.31,;-.45,-4.08,;.32,-2.57,;1.86,-2.58,;2.62,-3.92,;2.64,-1.25,;4.19,-1.25,;4.95,-2.59,;6.49,-2.59,;7.27,-1.25,;6.49,.08,;4.95,.08,;7.27,1.41,;6.49,2.75,;8.81,1.41,;9.58,.08,;11.12,.08,;12.45,-.69,;12.45,.85,;9.58,2.75,;10.35,4.08,;-.45,-1,;-.45,.54,;-1.78,1.31,;-1.78,2.85,;-1.78,-1.77,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,(-.16,4.39,;-1.49,3.62,;-2.82,4.39,;-4.16,3.62,;-5.49,4.39,;-6.82,3.62,;-8.16,4.39,;-9.49,3.62,;-9.49,2.08,;-8.16,1.31,;-6.82,2.08,;-4.16,2.08,;-2.82,1.31,;-1.49,2.08,;-.16,1.31,;-.16,-.23,;-1.49,-1,;-1.49,-2.54,;-.16,-3.31,;1.18,-2.54,;2.51,-3.31,;3.28,-1.8,;4.82,-1.81,;5.6,-.48,;5.58,-3.15,;7.12,-3.15,;8.03,-4.39,;9.49,-3.92,;9.49,-2.38,;8.03,-1.9,;2.51,-.23,;2.51,1.31,;1.18,2.08,;1.18,3.62,;1.18,-1,)|
Cc1cc(Oc2ccccc2)cc(C)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:26.27,(-1.5,3.98,;-2.83,3.21,;-4.17,3.98,;-5.5,3.21,;-6.83,3.98,;-8.17,3.21,;-9.5,3.98,;-10.84,3.21,;-10.84,1.67,;-9.5,.9,;-8.17,1.67,;-5.5,1.67,;-4.17,.9,;-4.17,-.64,;-2.83,1.67,;-1.5,.9,;-1.5,-.64,;-2.83,-1.41,;-2.83,-2.95,;-1.5,-3.72,;-.17,-2.95,;1.17,-3.72,;1.94,-2.21,;3.48,-2.23,;4.24,-3.56,;4.26,-.9,;5.8,-.9,;6.7,.35,;8.17,-.13,;8.17,-1.67,;6.7,-2.14,;9.5,-2.44,;9.5,-3.98,;10.84,-1.67,;10.84,-.13,;1.17,-.64,;1.17,.9,;-.17,1.67,;-.17,3.21,;-.17,-1.41,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)S(F)(F)(F)(F)F |r,wD:18.18,(-3,5,;-4.33,4.23,;-5.67,5,;-7,4.23,;-7,2.69,;-5.67,1.92,;-4.33,2.69,;-3,1.92,;-3,.38,;-4.33,-.39,;-4.33,-1.93,;-3,-2.7,;-1.67,-1.93,;-.33,-2.7,;.44,-1.19,;1.98,-1.2,;2.76,.13,;2.74,-2.54,;4.28,-2.54,;5.05,-1.21,;6.59,-1.21,;7.36,-2.54,;6.59,-3.87,;5.05,-3.87,;7.36,-5.21,;6.59,-6.54,;8.9,-5.21,;9.67,-3.87,;-.33,.38,;-.33,1.92,;-1.67,2.69,;-1.67,4.23,;-1.67,-.39,;-8.33,5,;-8.33,6.54,;-9.67,4.23,;-7,5.77,;-9.67,5.77,;-8.33,3.46,)|
CCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.5,.52,;10.17,-.25,;8.84,.52,;8.84,2.06,;7.5,-.25,;7.5,-1.79,;6.04,-2.27,;5.13,-1.02,;6.04,.22,;3.59,-1.02,;2.81,-2.35,;3.57,-3.69,;1.27,-2.34,;.5,-3.85,;-.83,-3.08,;-2.17,-3.85,;-3.5,-3.08,;-3.5,-1.54,;-2.17,-.77,;-2.17,.77,;-3.5,1.54,;-4.83,.77,;-6.17,1.54,;-6.17,3.08,;-7.5,3.85,;-8.84,3.08,;-10.17,3.85,;-11.5,3.08,;-11.5,1.54,;-10.17,.77,;-8.84,1.54,;-4.83,3.85,;-3.5,3.08,;-2.17,3.85,;-.83,1.54,;-.83,3.08,;.5,.77,;.5,-.77,;-.83,-1.54,)|
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Cc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:19.19,(-9.01,4.44,;-7.68,3.67,;-7.68,2.13,;-6.34,1.36,;-5.01,2.13,;-5.01,3.67,;-3.68,4.44,;-6.34,4.44,;-3.68,1.36,;-3.68,-.18,;-5.01,-.95,;-5.01,-2.49,;-3.68,-3.26,;-2.34,-2.49,;-1.01,-3.26,;-.24,-1.75,;1.3,-1.76,;2.06,-3.1,;2.08,-.44,;3.62,-.44,;4.39,.9,;5.93,.9,;6.7,-.44,;5.93,-1.77,;4.39,-1.77,;6.7,-3.1,;5.93,-4.44,;8.24,-3.1,;9.01,-1.77,;-1.01,-.18,;-1.01,1.36,;-2.34,2.13,;-2.34,3.67,;-2.34,-.95,)|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.17,3.54,;11.4,2.21,;9.86,2.21,;9.09,.87,;7.55,.87,;6.78,2.21,;6.78,-.46,;7.55,-1.79,;6.78,-3.13,;5.24,-3.13,;4.47,-1.79,;5.24,-.46,;2.93,-1.79,;2.15,-3.12,;2.91,-4.46,;.61,-3.11,;-.16,-4.62,;-1.5,-3.85,;-2.83,-4.62,;-4.16,-3.85,;-4.16,-2.31,;-2.83,-1.54,;-2.83,,;-4.16,.77,;-5.5,,;-6.83,.77,;-6.83,2.31,;-8.17,3.08,;-9.5,2.31,;-10.83,3.08,;-12.17,2.31,;-12.17,.77,;-10.83,,;-9.5,.77,;-5.5,3.08,;-5.5,4.62,;-4.16,2.31,;-2.83,3.08,;-1.5,.77,;-1.5,2.31,;-.16,,;-.16,-1.54,;-1.5,-2.31,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.78,2.98,;10.24,2.98,;9.47,1.64,;7.93,1.64,;7.16,2.98,;7.16,.31,;7.93,-1.02,;7.16,-2.36,;5.62,-2.36,;4.85,-1.02,;5.62,.31,;3.31,-1.02,;2.53,-2.35,;3.29,-3.69,;.99,-2.34,;.22,-3.85,;-1.11,-3.08,;-2.45,-3.85,;-3.78,-3.08,;-3.78,-1.54,;-2.45,-.77,;-2.45,.77,;-3.78,1.54,;-5.11,.77,;-6.45,1.54,;-6.45,3.08,;-7.78,3.85,;-9.11,3.08,;-10.45,3.85,;-11.78,3.08,;-11.78,1.54,;-10.45,.77,;-9.11,1.54,;-5.11,3.85,;-3.78,3.08,;-2.45,3.85,;-1.11,1.54,;-1.11,3.08,;.22,.77,;.22,-.77,;-1.11,-1.54,)|
C[C@@H]1CCC(CN1C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.63,-1.02,;9.09,-1.02,;8.32,.31,;6.78,.31,;6.01,-1.02,;6.78,-2.36,;8.32,-2.36,;9.09,-3.69,;4.47,-1.02,;3.69,-2.35,;4.45,-3.69,;2.15,-2.34,;1.38,-3.85,;.04,-3.08,;-1.29,-3.85,;-2.62,-3.08,;-2.62,-1.54,;-1.29,-.77,;-1.29,.77,;-2.62,1.54,;-3.96,.77,;-5.29,1.54,;-5.29,3.08,;-6.63,3.85,;-7.96,3.08,;-9.29,3.85,;-10.63,3.08,;-10.63,1.54,;-9.29,.77,;-7.96,1.54,;-3.96,3.85,;-2.62,3.08,;-1.29,3.85,;.04,1.54,;.04,3.08,;1.38,.77,;1.38,-.77,;.04,-1.54,)|
CC(C)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(10.79,-.13,;9.46,.64,;9.46,2.18,;8.12,-.13,;8.12,-1.67,;6.66,-2.15,;5.75,-.9,;6.66,.34,;4.21,-.9,;3.44,-2.24,;4.21,-3.57,;1.9,-2.24,;1.34,-3.56,;-.12,-3.08,;-1.45,-3.85,;-2.79,-3.08,;-2.79,-1.54,;-1.45,-.77,;-1.45,.77,;-2.79,1.54,;-4.12,.77,;-5.46,1.54,;-5.46,3.08,;-6.79,3.85,;-8.12,3.08,;-9.46,3.85,;-10.79,3.08,;-10.79,1.54,;-9.46,.77,;-8.12,1.54,;-4.12,3.85,;-2.79,3.08,;-1.45,3.85,;-.12,1.54,;-.12,3.08,;1.21,.77,;1.21,-.77,;-.12,-1.54,)|
COCCC(=O)N1C[C@@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,8.8,(12.79,.64,;11.46,-.13,;10.12,.64,;8.79,-.13,;7.46,.64,;7.46,2.18,;6.12,-.13,;6.12,-1.67,;4.66,-2.15,;4.18,-3.61,;3.75,-.9,;4.66,.34,;2.21,-.9,;1.44,-2.24,;2.21,-3.57,;-.1,-2.24,;-.66,-3.56,;-2.12,-3.08,;-3.46,-3.85,;-4.79,-3.08,;-4.79,-1.54,;-3.46,-.77,;-3.46,.77,;-4.79,1.54,;-6.12,.77,;-7.46,1.54,;-7.46,3.08,;-8.79,3.85,;-10.12,3.08,;-11.46,3.85,;-12.79,3.08,;-12.79,1.54,;-11.46,.77,;-10.12,1.54,;-6.12,3.85,;-4.79,3.08,;-3.46,3.85,;-2.12,1.54,;-2.12,3.08,;-.79,.77,;-.79,-.77,;-2.12,-1.54,)|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.74,3.1,;10.2,3.1,;9.43,1.76,;7.89,1.76,;7.12,3.1,;7.12,.43,;7.89,-.9,;7.12,-2.24,;5.58,-2.24,;4.81,-.9,;5.58,.43,;3.27,-.9,;2.5,-2.24,;3.27,-3.57,;.96,-2.24,;.4,-3.56,;-1.07,-3.08,;-2.4,-3.85,;-3.74,-3.08,;-3.74,-1.54,;-2.4,-.77,;-2.4,.77,;-3.74,1.54,;-5.07,.77,;-6.4,1.54,;-6.4,3.08,;-7.74,3.85,;-9.07,3.08,;-10.4,3.85,;-11.74,3.08,;-11.74,1.54,;-10.4,.77,;-9.07,1.54,;-5.07,3.85,;-3.74,3.08,;-2.4,3.85,;-1.07,1.54,;-1.07,3.08,;.27,.77,;.27,-.77,;-1.07,-1.54,)|
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Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-.48,3.85,;-1.81,3.08,;-3.14,3.85,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-4.48,1.54,;-3.14,.77,;-1.81,1.54,;-.48,.77,;-.48,-.77,;-1.81,-1.54,;-1.81,-3.08,;-.48,-3.85,;.86,-3.08,;2.32,-3.56,;2.88,-2.24,;4.42,-2.24,;5.19,-3.57,;5.19,-.9,;6.73,-.9,;7.5,.43,;9.04,.43,;9.81,-.9,;9.04,-2.24,;7.5,-2.24,;2.19,-.77,;2.19,.77,;.86,1.54,;.86,3.08,;.86,-1.54,)|
C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.74,-1.71,;10.2,-1.71,;9.43,-3.04,;7.89,-3.04,;7.12,-4.38,;7.12,-1.71,;7.89,-.38,;7.12,.96,;5.58,.96,;4.81,-.38,;5.58,-1.71,;3.27,-.38,;2.5,-1.71,;3.27,-3.04,;.96,-1.71,;.4,-3.03,;-1.07,-2.55,;-2.4,-3.32,;-3.74,-2.55,;-3.74,-1.01,;-2.4,-.24,;-2.4,1.3,;-3.74,2.07,;-5.07,1.3,;-6.4,2.07,;-6.4,3.61,;-7.74,4.38,;-9.07,3.61,;-10.4,4.38,;-11.74,3.61,;-11.74,2.07,;-10.4,1.3,;-9.07,2.07,;-5.07,4.38,;-3.74,3.61,;-2.4,4.38,;-1.07,2.07,;-1.07,3.61,;.27,1.3,;.27,-.24,;-1.07,-1.01,)|
CC(C)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(8.27,.96,;9.04,-.38,;10.58,-.38,;8.27,-1.71,;9.04,-3.04,;8.27,-4.38,;6.73,-4.38,;5.96,-3.04,;6.73,-1.71,;4.42,-3.04,;3.65,-1.71,;4.42,-.38,;2.11,-1.71,;1.55,-3.03,;.09,-2.55,;-1.25,-3.32,;-2.58,-2.55,;-2.58,-1.01,;-1.25,-.24,;-1.25,1.3,;-2.58,2.07,;-3.91,1.3,;-5.25,2.07,;-5.25,3.61,;-6.58,4.38,;-7.91,3.61,;-9.25,4.38,;-10.58,3.61,;-10.58,2.07,;-9.25,1.3,;-7.91,2.07,;-3.91,4.38,;-2.58,3.61,;-1.25,4.38,;.09,2.07,;.09,3.61,;1.42,1.3,;1.42,-.24,;.09,-1.01,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:22.22,(-11.74,3.56,;-10.4,2.79,;-10.4,1.25,;-9.07,3.56,;-7.74,2.79,;-7.74,1.25,;-6.4,.48,;-5.07,1.25,;-5.07,2.79,;-3.74,3.56,;-6.4,3.56,;-3.74,.48,;-3.74,-1.06,;-5.07,-1.83,;-5.07,-3.37,;-3.74,-4.14,;-2.4,-3.37,;-.94,-3.85,;-.38,-2.53,;1.16,-2.53,;1.93,-3.86,;1.93,-1.19,;3.47,-1.19,;4.24,-2.53,;5.78,-2.53,;6.55,-1.19,;5.78,.14,;4.24,.14,;6.55,1.47,;5.78,2.81,;8.09,1.47,;8.86,.14,;10.4,.14,;11.74,-.63,;11.74,.91,;8.86,2.81,;9.63,4.14,;-1.07,-1.06,;-1.07,.48,;-2.4,1.25,;-2.4,2.79,;-2.4,-1.83,)|
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CNCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.12,4.14,;11.35,2.81,;9.81,2.81,;9.04,1.47,;7.5,1.47,;6.73,2.81,;6.73,.14,;7.5,-1.19,;6.73,-2.53,;5.19,-2.53,;4.42,-1.19,;5.19,.14,;2.88,-1.19,;2.11,-2.53,;2.88,-3.86,;.57,-2.53,;.01,-3.85,;-1.45,-3.37,;-2.79,-4.14,;-4.12,-3.37,;-4.12,-1.83,;-2.79,-1.06,;-2.79,.48,;-4.12,1.25,;-5.45,.48,;-6.79,1.25,;-6.79,2.79,;-8.12,3.56,;-9.45,2.79,;-10.79,3.56,;-12.12,2.79,;-12.12,1.25,;-10.79,.48,;-9.45,1.25,;-5.45,3.56,;-4.12,2.79,;-2.79,3.56,;-1.45,1.25,;-1.45,2.79,;-.12,.48,;-.12,-1.06,;-1.45,-1.83,)|
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COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:20.20,(-9.63,3.61,;-8.3,4.38,;-6.97,3.61,;-6.97,2.07,;-5.63,1.3,;-4.3,2.07,;-4.3,3.61,;-2.97,4.38,;-5.63,4.38,;-2.97,1.3,;-2.97,-.24,;-4.3,-1.01,;-4.3,-2.55,;-2.97,-3.32,;-1.63,-2.55,;-.17,-3.03,;.39,-1.71,;1.93,-1.71,;2.7,-3.04,;2.7,-.38,;4.24,-.38,;5.01,.96,;6.55,.96,;7.32,-.38,;6.55,-1.71,;5.01,-1.71,;7.32,-3.04,;6.55,-4.38,;8.86,-3.04,;9.63,-1.71,;-.3,-.24,;-.3,1.3,;-1.63,2.07,;-1.63,3.61,;-1.63,-1.01,)|
COC[C@@H](N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,3.3,(12.29,4.1,;11.52,2.77,;9.98,2.77,;9.21,1.44,;9.98,.1,;7.67,1.44,;6.9,2.77,;6.9,.1,;7.67,-1.23,;6.9,-2.56,;5.36,-2.56,;4.59,-1.23,;5.36,.1,;3.05,-1.23,;2.28,-2.56,;3.05,-3.9,;.74,-2.56,;-.16,-3.81,;-1.63,-3.33,;-2.96,-4.1,;-4.29,-3.33,;-4.29,-1.79,;-2.96,-1.02,;-2.96,.52,;-4.29,1.29,;-5.63,.52,;-6.96,1.29,;-6.96,2.83,;-8.29,3.6,;-9.63,2.83,;-10.96,3.6,;-12.29,2.83,;-12.29,1.29,;-10.96,.52,;-9.63,1.29,;-5.63,3.6,;-4.29,2.83,;-2.96,3.6,;-1.63,1.29,;-1.63,2.83,;-.29,.52,;-.29,-1.02,;-1.63,-1.79,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:26.27,(-3.17,3.08,;-4.51,2.31,;-5.84,3.08,;-5.84,4.62,;-7.17,2.31,;-8.51,3.08,;-9.84,2.31,;-11.17,3.08,;-12.51,2.31,;-12.51,.77,;-11.17,,;-9.84,.77,;-7.17,.77,;-5.84,,;-4.51,.77,;-3.17,,;-3.17,-1.54,;-4.51,-2.31,;-4.51,-3.85,;-3.17,-4.62,;-1.84,-3.85,;-.37,-4.33,;.19,-3.01,;1.73,-3.01,;2.5,-4.34,;2.5,-1.67,;4.04,-1.67,;4.81,-3.01,;6.35,-3.01,;7.12,-1.67,;6.35,-.34,;4.81,-.34,;7.12,.99,;6.35,2.33,;8.66,.99,;9.43,-.34,;10.97,-.34,;12.51,-.34,;10.97,1.2,;10.97,-1.88,;-.5,-1.54,;-.5,,;-1.84,.77,;-1.84,2.31,;-1.84,-2.31,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CO)c([nH]c1=O)c23 |r,wU:26.27,(-1.63,3.08,;-2.97,2.31,;-4.3,3.08,;-4.3,4.62,;-5.63,2.31,;-6.97,3.08,;-8.3,2.31,;-9.63,3.08,;-10.97,2.31,;-10.97,.77,;-9.63,,;-8.3,.77,;-5.63,.77,;-4.3,,;-2.97,.77,;-1.63,,;-1.63,-1.54,;-2.97,-2.31,;-2.97,-3.85,;-1.63,-4.62,;-.3,-3.85,;1.17,-4.33,;1.73,-3.01,;3.27,-3.01,;4.04,-4.34,;4.04,-1.67,;5.58,-1.67,;6.35,-3.01,;7.89,-3.01,;8.66,-1.67,;7.89,-.34,;6.35,-.34,;8.66,.99,;7.89,2.33,;10.2,.99,;10.97,2.33,;1.04,-1.54,;1.04,,;-.3,.77,;-.3,2.31,;-.3,-2.31,)|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(F)c4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.74,2.33,;10.2,2.33,;9.43,.99,;7.89,.99,;7.12,2.33,;7.12,-.34,;7.89,-1.67,;7.12,-3.01,;5.58,-3.01,;4.81,-1.67,;5.58,-.34,;3.27,-1.67,;2.5,-3.01,;3.27,-4.34,;.96,-3.01,;.4,-4.33,;-1.07,-3.85,;-2.4,-4.62,;-3.73,-3.85,;-3.73,-2.31,;-2.4,-1.54,;-2.4,,;-3.73,.77,;-5.07,,;-6.4,.77,;-6.4,2.31,;-7.74,3.08,;-9.07,2.31,;-10.4,3.08,;-11.74,2.31,;-11.74,.77,;-10.4,,;-9.07,.77,;-5.07,3.08,;-5.07,4.62,;-3.73,2.31,;-2.4,3.08,;-1.07,.77,;-1.07,2.31,;.27,,;.27,-1.54,;-1.07,-2.31,)|
C\C=C/C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(10.2,-1.71,;10.97,-3.04,;10.2,-4.38,;8.66,-4.38,;7.89,-5.71,;7.89,-3.04,;8.66,-1.71,;7.89,-.38,;6.35,-.38,;5.58,-1.71,;6.35,-3.04,;4.04,-1.71,;3.27,-.38,;4.04,.96,;1.73,-.38,;1.17,-1.69,;-.3,-1.22,;-1.63,-1.99,;-2.97,-1.22,;-2.97,.32,;-1.63,1.09,;-1.63,2.63,;-2.97,3.4,;-4.3,2.63,;-5.63,3.4,;-5.63,4.94,;-6.97,5.71,;-8.3,4.94,;-9.63,5.71,;-10.97,4.94,;-10.97,3.4,;-9.63,2.63,;-8.3,3.4,;-4.3,5.71,;-2.97,4.94,;-1.63,5.71,;-.3,3.4,;-.3,4.94,;1.04,2.63,;1.04,1.09,;-.3,.32,)|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:4.6,(10.08,.77,;8.83,-.13,;8.83,-1.67,;7.37,-2.15,;6.46,-.9,;7.37,.34,;4.92,-.9,;4.15,-2.24,;4.92,-3.57,;2.61,-2.24,;2.05,-3.56,;.59,-3.08,;-.74,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.74,-.77,;-.74,.77,;-2.08,1.54,;-3.41,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.41,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.41,1.54,;-3.41,3.85,;-2.08,3.08,;-.74,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
CCc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:20.20,(-8.99,-4.14,;-7.51,-4.56,;-6.4,-3.49,;-6.77,-2,;-5.67,-.93,;-4.19,-1.35,;-3.81,-2.85,;-2.33,-3.27,;-4.92,-3.92,;-3.08,-.28,;-3.59,1.48,;-4.92,2.25,;-4.92,3.79,;-3.59,4.56,;-2.25,3.79,;-.79,4.27,;.12,3.02,;1.66,3.02,;2.43,4.36,;2.43,1.69,;3.97,1.69,;4.87,2.94,;6.33,2.46,;6.33,.92,;4.87,.45,;7.58,.02,;8.99,.64,;7.42,-1.52,;8.67,-2.42,;-.79,1.78,;-.47,.27,;-1.61,-.76,;-1.29,-2.26,;-2.25,2.25,)|
COC[C@H](N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,wD:3.3,(12.12,2.29,;11.35,.96,;9.81,.96,;9.04,-.38,;9.81,-1.71,;7.5,-.38,;6.73,.96,;6.73,-1.71,;7.5,-3.04,;6.73,-4.38,;5.19,-4.38,;4.42,-3.04,;5.19,-1.71,;2.88,-3.04,;2.11,-1.71,;2.88,-.38,;.57,-1.71,;.01,-3.03,;-1.45,-2.55,;-2.79,-3.32,;-4.12,-2.55,;-4.12,-1.01,;-2.79,-.24,;-2.79,1.3,;-4.12,2.07,;-5.45,1.3,;-6.79,2.07,;-6.79,3.61,;-8.12,4.38,;-9.45,3.61,;-10.79,4.38,;-12.12,3.61,;-12.12,2.07,;-10.79,1.3,;-9.45,2.07,;-5.45,4.38,;-4.12,3.61,;-2.79,4.38,;-1.45,2.07,;-1.45,3.61,;-.12,1.3,;-.12,-.24,;-1.45,-1.01,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nn4)c(=O)[nH]c1c23 |r|
COC[C@H](O)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:11.13,(12.12,-5.04,;11.35,-3.71,;9.81,-3.71,;9.04,-2.38,;9.81,-1.04,;7.5,-2.38,;6.73,-3.71,;6.73,-1.04,;7.5,.29,;6.73,1.62,;5.19,1.62,;4.42,.29,;5.19,-1.04,;2.88,.29,;2.11,-1.04,;2.88,-2.38,;.57,-1.04,;.01,-2.36,;-1.45,-1.89,;-2.79,-2.66,;-4.12,-1.89,;-4.12,-.35,;-2.79,.42,;-2.79,1.96,;-4.12,2.73,;-5.45,1.96,;-6.79,2.73,;-6.79,4.27,;-8.12,5.04,;-9.45,4.27,;-10.79,5.04,;-12.12,4.27,;-12.12,2.73,;-10.79,1.96,;-9.45,2.73,;-5.45,5.04,;-4.12,4.27,;-2.79,5.04,;-1.45,2.73,;-1.45,4.27,;-.12,1.96,;-.12,.42,;-1.45,-.35,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCOCC4)c([nH]c1=O)c23 |(-.48,3.85,;-1.81,3.08,;-3.14,3.85,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-4.48,1.54,;-3.14,.77,;-1.81,1.54,;-.48,.77,;-.48,-.77,;-1.81,-1.54,;-1.81,-3.08,;-.48,-3.85,;.86,-3.08,;2.32,-3.56,;2.88,-2.24,;4.42,-2.24,;5.19,-3.57,;5.19,-.9,;6.73,-.9,;7.5,-2.24,;9.04,-2.24,;9.81,-.9,;9.04,.43,;7.5,.43,;2.19,-.77,;2.19,.77,;.86,1.54,;.86,3.08,;.86,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CO)c([nH]c1=O)c23 |r,wU:25.26,(-1.63,4.38,;-2.97,3.61,;-4.3,4.38,;-5.63,3.61,;-6.97,4.38,;-8.3,3.61,;-9.63,4.38,;-10.97,3.61,;-10.97,2.07,;-9.63,1.3,;-8.3,2.07,;-5.63,2.07,;-4.3,1.3,;-2.97,2.07,;-1.63,1.3,;-1.63,-.24,;-2.97,-1.01,;-2.97,-2.55,;-1.63,-3.32,;-.3,-2.55,;1.17,-3.03,;1.73,-1.71,;3.27,-1.71,;4.04,-.38,;4.04,-3.04,;5.58,-3.04,;6.35,-4.38,;7.89,-4.38,;8.66,-3.04,;7.89,-1.71,;6.35,-1.71,;8.66,-.38,;7.89,.96,;10.2,-.38,;10.97,-1.71,;1.04,-.24,;1.04,1.3,;-.3,2.07,;-.3,3.61,;-.3,-1.01,)|
CN1CC[C@@H](C1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.15,wD:4.6,(12.39,1.3,;11.14,.39,;11.14,-1.15,;9.68,-1.62,;8.77,-.38,;9.68,.87,;7.23,-.38,;6.46,.96,;6.46,-1.71,;7.23,-3.04,;6.46,-4.38,;4.92,-4.38,;4.15,-3.04,;4.92,-1.71,;2.61,-3.04,;1.84,-1.71,;2.61,-.38,;.3,-1.71,;-.26,-3.03,;-1.72,-2.55,;-3.05,-3.32,;-4.39,-2.55,;-4.39,-1.01,;-3.05,-.24,;-3.05,1.3,;-4.39,2.07,;-5.72,1.3,;-7.06,2.07,;-7.06,3.61,;-8.39,4.38,;-9.72,3.61,;-11.06,4.38,;-12.39,3.61,;-12.39,2.07,;-11.06,1.3,;-9.72,2.07,;-5.72,4.38,;-4.39,3.61,;-3.05,4.38,;-1.72,2.07,;-1.72,3.61,;-.39,1.3,;-.39,-.24,;-1.72,-1.01,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.12,5.64,;-8.79,4.87,;-8.79,3.33,;-7.46,5.64,;-6.12,4.87,;-6.12,3.33,;-4.79,2.56,;-3.46,3.33,;-3.46,4.87,;-2.12,5.64,;-4.79,5.64,;-2.12,2.56,;-2.12,1.02,;-3.46,.25,;-3.46,-1.29,;-2.12,-2.06,;-.79,-1.29,;.68,-1.77,;1.24,-.45,;2.78,-.45,;3.55,.88,;3.55,-1.79,;5.09,-1.79,;5.99,-.54,;7.46,-1.02,;7.46,-2.56,;5.99,-3.03,;8.79,-3.33,;10.12,-2.56,;8.79,-4.87,;10.12,-5.64,;.55,1.02,;.55,2.56,;-.79,3.33,;-.79,4.87,;-.79,.25,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,1.76,;9.04,.43,;9.81,-.9,;9.04,-2.24,;7.5,-2.24,;6.73,-.9,;7.5,.43,;5.19,-.9,;4.42,-2.24,;5.19,-3.57,;2.88,-2.24,;2.32,-3.56,;.86,-3.08,;-.48,-3.85,;-1.81,-3.08,;-1.81,-1.54,;-.48,-.77,;-.48,.77,;-1.81,1.54,;-3.14,.77,;-4.48,1.54,;-4.48,3.08,;-5.81,3.85,;-7.14,3.08,;-8.48,3.85,;-9.81,3.08,;-9.81,1.54,;-8.48,.77,;-7.14,1.54,;-3.14,3.85,;-1.81,3.08,;-.48,3.85,;.86,1.54,;.86,3.08,;2.19,.77,;2.19,-.77,;.86,-1.54,)|
Cc1c(F)c(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCO)c([nH]c1=O)c23 |r,wU:26.27,(-2.4,3.08,;-3.74,2.31,;-5.07,3.08,;-5.07,4.62,;-6.4,2.31,;-7.74,3.08,;-9.07,2.31,;-10.4,3.08,;-11.74,2.31,;-11.74,.77,;-10.4,,;-9.07,.77,;-6.4,.77,;-5.07,,;-3.74,.77,;-2.4,,;-2.4,-1.54,;-3.74,-2.31,;-3.74,-3.85,;-2.4,-4.62,;-1.07,-3.85,;.4,-4.33,;.96,-3.01,;2.5,-3.01,;3.27,-4.34,;3.27,-1.67,;4.81,-1.67,;5.58,-3.01,;7.12,-3.01,;7.89,-1.67,;7.12,-.34,;5.58,-.34,;7.89,.99,;7.12,2.33,;9.43,.99,;10.2,2.33,;11.74,2.33,;.27,-1.54,;.27,,;-1.07,.77,;-1.07,2.31,;-1.07,-2.31,)|
CN1CCOCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.67,.5,;8.67,-1.04,;9.91,-1.95,;9.97,-3.49,;8.8,-4.56,;7.3,-4.22,;6.57,-2.86,;7.18,-1.45,;5.03,-2.86,;4.26,-1.53,;5.03,-.2,;2.72,-1.53,;2.16,-2.85,;.7,-2.37,;-.64,-3.14,;-1.97,-2.37,;-1.97,-.83,;-.64,-.06,;-.64,1.48,;-1.97,2.25,;-3.3,1.48,;-4.64,2.25,;-4.64,3.79,;-5.97,4.56,;-7.31,3.79,;-8.64,4.56,;-9.97,3.79,;-9.97,2.25,;-8.64,1.48,;-7.31,2.25,;-3.3,4.56,;-1.97,3.79,;-.64,4.56,;.7,2.25,;.7,3.79,;2.03,1.48,;2.03,-.06,;.7,-.83,)|
CN(C)CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.12,4.14,;11.35,2.81,;12.12,1.47,;9.81,2.81,;9.04,1.47,;7.5,1.47,;6.73,2.81,;6.73,.14,;7.5,-1.19,;6.73,-2.53,;5.19,-2.53,;4.42,-1.19,;5.19,.14,;2.88,-1.19,;2.11,-2.53,;2.88,-3.86,;.57,-2.53,;.01,-3.85,;-1.45,-3.37,;-2.79,-4.14,;-4.12,-3.37,;-4.12,-1.83,;-2.79,-1.06,;-2.79,.48,;-4.12,1.25,;-5.45,.48,;-6.79,1.25,;-6.79,2.79,;-8.12,3.56,;-9.46,2.79,;-10.79,3.56,;-12.12,2.79,;-12.12,1.25,;-10.79,.48,;-9.46,1.25,;-5.45,3.56,;-4.12,2.79,;-2.79,3.56,;-1.45,1.25,;-1.45,2.79,;-.12,.48,;-.12,-1.06,;-1.45,-1.83,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,wD:33.35,(-2.43,3.85,;-3.77,3.08,;-5.1,3.85,;-6.43,3.08,;-7.77,3.85,;-9.1,3.08,;-10.43,3.85,;-11.77,3.08,;-11.77,1.54,;-10.43,.77,;-9.1,1.54,;-6.43,1.54,;-5.1,.77,;-3.77,1.54,;-2.43,.77,;-2.43,-.77,;-3.77,-1.54,;-3.77,-3.08,;-2.43,-3.85,;-1.1,-3.08,;.37,-3.56,;.93,-2.24,;2.47,-2.24,;3.24,-3.57,;3.24,-.9,;4.78,-.9,;5.55,-2.24,;7.09,-2.24,;7.86,-.9,;7.09,.43,;5.55,.43,;7.86,1.76,;7.09,3.1,;9.4,1.76,;10.3,.52,;11.77,.99,;11.77,2.53,;10.3,3.01,;.24,-.77,;.24,.77,;-1.1,1.54,;-1.1,3.08,;-1.1,-1.54,)|
CN1C[C@@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,3.3,(10.08,.77,;8.83,-.13,;8.83,-1.67,;7.37,-2.15,;6.89,-3.61,;6.46,-.9,;7.37,.34,;4.92,-.9,;4.15,-2.24,;4.92,-3.57,;2.61,-2.24,;2.05,-3.56,;.59,-3.08,;-.74,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.74,-.77,;-.74,.77,;-2.08,1.54,;-3.41,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.41,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.41,1.54,;-3.41,3.85,;-2.08,3.08,;-.74,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4Cl)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,-.38,;9.04,-1.71,;9.81,-3.04,;9.04,-4.38,;7.5,-4.38,;6.73,-3.04,;7.5,-1.71,;5.19,-3.04,;4.42,-1.71,;5.19,-.38,;2.88,-1.71,;2.32,-3.03,;.86,-2.55,;-.48,-3.32,;-1.81,-2.55,;-1.81,-1.01,;-.48,-.24,;-.48,1.3,;-1.81,2.07,;-3.14,1.3,;-4.48,2.07,;-4.48,3.61,;-5.81,4.38,;-7.14,3.61,;-8.48,4.38,;-9.81,3.61,;-9.81,2.07,;-8.48,1.3,;-7.14,2.07,;-3.14,4.38,;-1.81,3.61,;-.48,4.38,;.86,2.07,;.86,3.61,;2.19,1.3,;2.19,-.24,;.86,-1.01,)|
CN(C)C(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:16.18,(9.43,4.67,;10.2,3.33,;11.74,3.33,;9.43,2,;8.66,3.33,;7.94,1.6,;10.2,.67,;9.43,-.67,;10.2,-2,;10.97,-3.33,;7.89,-.67,;7.12,.67,;7.12,-2,;7.89,-3.33,;7.12,-4.67,;5.58,-4.67,;4.81,-3.33,;5.58,-2,;3.27,-3.33,;2.5,-2,;3.27,-.67,;.96,-2,;.4,-3.32,;-1.07,-2.84,;-2.4,-3.61,;-3.74,-2.84,;-3.74,-1.3,;-2.4,-.53,;-2.4,1.01,;-3.74,1.78,;-5.07,1.01,;-6.4,1.78,;-6.4,3.32,;-7.74,4.09,;-9.07,3.32,;-10.4,4.09,;-11.74,3.32,;-11.74,1.78,;-10.4,1.01,;-9.07,1.78,;-5.07,4.09,;-3.74,3.32,;-2.4,4.09,;-1.07,1.78,;-1.07,3.32,;.27,1.01,;.27,-.53,;-1.07,-1.3,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wU:5.7,(9.81,-.38,;9.04,-1.71,;9.81,-3.04,;9.04,-4.38,;7.5,-4.38,;6.73,-3.04,;7.5,-1.71,;5.19,-3.04,;4.42,-1.71,;5.19,-.38,;2.88,-1.71,;2.32,-3.03,;.86,-2.55,;-.48,-3.32,;-1.81,-2.55,;-1.81,-1.01,;-.48,-.24,;-.48,1.3,;-1.81,2.07,;-3.14,1.3,;-4.48,2.07,;-4.48,3.61,;-5.81,4.38,;-7.14,3.61,;-8.48,4.38,;-9.81,3.61,;-9.81,2.07,;-8.48,1.3,;-7.14,2.07,;-3.14,4.38,;-1.81,3.61,;-.48,4.38,;.86,2.07,;.86,3.61,;2.19,1.3,;2.19,-.24,;.86,-1.01,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4COC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.34,4.38,;-3.67,3.61,;-5,4.38,;-6.34,3.61,;-7.67,4.38,;-9,3.61,;-10.34,4.38,;-11.67,3.61,;-11.67,2.07,;-10.34,1.3,;-9,2.07,;-6.34,2.07,;-5,1.3,;-3.67,2.07,;-2.34,1.3,;-2.34,-.24,;-3.67,-1.01,;-3.67,-2.55,;-2.34,-3.32,;-1,-2.55,;.46,-3.03,;1.02,-1.71,;2.56,-1.71,;3.33,-3.04,;3.33,-.38,;4.87,-.38,;5.64,.96,;7.18,.96,;7.95,-.38,;7.18,-1.71,;5.64,-1.71,;7.95,-3.04,;7.18,-4.38,;9.49,-3.04,;10.58,-4.13,;11.67,-3.04,;10.58,-1.96,;.33,-.24,;.33,1.3,;-1,2.07,;-1,3.61,;-1,-1.01,)|
CN([C@@H]1CCN(C1)C(=O)C=C)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(3.44,-3.5,;4.21,-2.17,;5.75,-2.17,;6.66,-.92,;8.12,-1.4,;8.12,-2.94,;6.66,-3.42,;9.46,-3.71,;9.46,-5.25,;10.79,-2.94,;10.79,-1.4,;3.44,-.84,;4.21,.5,;1.9,-.84,;1.34,-2.16,;-.12,-1.68,;-1.45,-2.45,;-2.79,-1.68,;-2.79,-.14,;-1.45,.63,;-1.45,2.17,;-2.79,2.94,;-4.12,2.17,;-5.46,2.94,;-5.46,4.48,;-6.79,5.25,;-8.12,4.48,;-9.46,5.25,;-10.79,4.48,;-10.79,2.94,;-9.46,2.17,;-8.12,2.94,;-4.12,5.25,;-2.79,4.48,;-1.45,5.25,;-.12,2.94,;-.12,4.48,;1.21,2.17,;1.21,.63,;-.12,-.14,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H](F)C4)c([nH]c1=O)c23 |r,wU:29.31,wD:25.26,(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,-2.27,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
COCCC(=O)N1C[C@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,wD:8.8,(12.87,.61,;11.53,-.16,;10.2,.61,;8.87,-.16,;7.53,.61,;7.53,2.15,;6.2,-.16,;6.2,-1.7,;4.73,-2.18,;4.34,-3.67,;3.83,-.93,;4.73,.31,;2.29,-.93,;1.52,-2.27,;2.29,-3.6,;-.02,-2.27,;-.86,-3.85,;-2.2,-3.08,;-3.53,-3.85,;-4.86,-3.08,;-4.86,-1.54,;-3.53,-.77,;-3.53,.77,;-4.86,1.54,;-6.2,.77,;-7.53,1.54,;-7.53,3.08,;-8.87,3.85,;-10.2,3.08,;-11.53,3.85,;-12.87,3.08,;-12.87,1.54,;-11.53,.77,;-10.2,1.54,;-6.2,3.85,;-4.86,3.08,;-3.53,3.85,;-2.2,1.54,;-2.2,3.08,;-.86,.77,;-.86,-.77,;-2.2,-1.54,)|
CC(C)=C(C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(11.81,.94,;10.27,.94,;9.5,2.28,;9.5,-.39,;10.27,-1.73,;11.04,-3.06,;7.96,-.39,;7.19,.94,;7.19,-1.73,;7.96,-3.06,;7.19,-4.39,;5.65,-4.39,;4.88,-3.06,;5.65,-1.73,;3.34,-3.06,;2.57,-1.73,;3.34,-.39,;1.03,-1.73,;.19,-3.31,;-1.14,-2.54,;-2.48,-3.31,;-3.81,-2.54,;-3.81,-1,;-2.48,-.23,;-2.48,1.31,;-3.81,2.08,;-5.14,1.31,;-6.48,2.08,;-6.48,3.62,;-7.81,4.39,;-9.15,3.62,;-10.48,4.39,;-11.81,3.62,;-11.81,2.08,;-10.48,1.31,;-9.15,2.08,;-5.14,4.39,;-3.81,3.62,;-2.48,4.39,;-1.14,2.08,;-1.14,3.62,;.19,1.31,;.19,-.23,;-1.14,-1,)|
CCN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.87,-2.33,;9.53,-1.56,;8.2,-2.33,;8.2,-3.87,;6.73,-4.35,;5.83,-3.1,;6.73,-1.86,;4.29,-3.1,;3.52,-1.77,;4.29,-.44,;1.98,-1.77,;1.14,-3.35,;-.2,-2.58,;-1.53,-3.35,;-2.86,-2.58,;-2.86,-1.04,;-1.53,-.27,;-1.53,1.27,;-2.86,2.04,;-4.2,1.27,;-5.53,2.04,;-5.53,3.58,;-6.87,4.35,;-8.2,3.58,;-9.53,4.35,;-10.87,3.58,;-10.87,2.04,;-9.53,1.27,;-8.2,2.04,;-4.2,4.35,;-2.86,3.58,;-1.53,4.35,;-.2,2.04,;-.2,3.58,;1.14,1.27,;1.14,-.27,;-.2,-1.04,)|
COC[C@H](OC)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:12.14,(12.2,-3.06,;11.43,-4.39,;9.89,-4.39,;9.12,-3.06,;9.89,-1.73,;11.43,-1.73,;7.58,-3.06,;6.81,-4.39,;6.81,-1.73,;7.58,-.39,;6.81,.94,;5.27,.94,;4.5,-.39,;5.27,-1.73,;2.96,-.39,;2.19,-1.73,;2.96,-3.06,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
COC[C@@H](O)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,3.3,(12.2,-5.06,;11.43,-3.73,;9.89,-3.73,;9.12,-2.39,;9.89,-1.06,;7.58,-2.39,;6.81,-3.73,;6.81,-1.06,;7.58,.28,;6.81,1.61,;5.27,1.61,;4.5,.28,;5.27,-1.06,;2.96,.28,;2.19,-1.06,;2.96,-2.39,;.65,-1.06,;-.19,-2.64,;-1.53,-1.87,;-2.86,-2.64,;-4.2,-1.87,;-4.2,-.33,;-2.86,.44,;-2.86,1.98,;-4.2,2.75,;-5.53,1.98,;-6.86,2.75,;-6.86,4.29,;-8.2,5.06,;-9.53,4.29,;-10.86,5.06,;-12.2,4.29,;-12.2,2.75,;-10.86,1.98,;-9.53,2.75,;-5.53,5.06,;-4.2,4.29,;-2.86,5.06,;-1.53,2.75,;-1.53,4.29,;-.19,1.98,;-.19,.44,;-1.53,-.33,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C)C(F)(F)F)c([nH]c1=O)c23 |r,wU:25.26,(-2.48,3.57,;-3.81,2.8,;-5.14,3.57,;-6.48,2.8,;-7.81,3.57,;-9.15,2.8,;-10.48,3.57,;-11.81,2.8,;-11.81,1.26,;-10.48,.49,;-9.15,1.26,;-6.48,1.26,;-5.14,.49,;-3.81,1.26,;-2.48,.49,;-2.48,-1.05,;-3.81,-1.82,;-3.81,-3.36,;-2.48,-4.13,;-1.14,-3.36,;.19,-4.13,;1.03,-2.54,;2.57,-2.54,;3.34,-3.88,;3.34,-1.21,;4.88,-1.21,;5.65,-2.54,;7.19,-2.54,;7.96,-1.21,;7.19,.12,;5.65,.12,;7.96,1.46,;7.19,2.79,;9.5,1.46,;10.27,.12,;10.27,2.79,;11.81,2.79,;9.5,4.13,;11.04,4.13,;.19,-1.05,;.19,.49,;-1.14,1.26,;-1.14,2.8,;-1.14,-1.82,)|
CN1CC[C@H](C1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.15,4.6,(12.51,3.27,;11.18,2.5,;11.18,.96,;9.71,.49,;8.81,1.73,;9.71,2.98,;7.27,1.73,;6.5,3.07,;6.5,.4,;7.27,-.93,;6.5,-2.27,;4.96,-2.27,;4.19,-.93,;4.96,.4,;2.65,-.93,;1.88,-2.27,;2.65,-3.6,;.34,-2.27,;-.51,-3.85,;-1.84,-3.08,;-3.17,-3.85,;-4.51,-3.08,;-4.51,-1.54,;-3.17,-.77,;-3.17,.77,;-4.51,1.54,;-5.84,.77,;-7.18,1.54,;-7.18,3.08,;-8.51,3.85,;-9.84,3.08,;-11.18,3.85,;-12.51,3.08,;-12.51,1.54,;-11.18,.77,;-9.84,1.54,;-5.84,3.85,;-4.51,3.08,;-3.17,3.85,;-1.84,1.54,;-1.84,3.08,;-.51,.77,;-.51,-.77,;-1.84,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:25.26,(-3.25,3.85,;-4.58,3.08,;-5.91,3.85,;-7.25,3.08,;-8.58,3.85,;-9.91,3.08,;-11.25,3.85,;-12.58,3.08,;-12.58,1.54,;-11.25,.77,;-9.91,1.54,;-7.25,1.54,;-5.91,.77,;-4.58,1.54,;-3.25,.77,;-3.25,-.77,;-4.58,-1.54,;-4.58,-3.08,;-3.25,-3.85,;-1.91,-3.08,;-.58,-3.85,;.26,-2.27,;1.8,-2.27,;2.57,-3.6,;2.57,-.93,;4.11,-.93,;4.88,-2.27,;6.42,-2.27,;7.19,-.93,;6.42,.4,;4.88,.4,;7.19,1.73,;6.42,3.07,;8.73,1.73,;9.5,.4,;11.04,.4,;12.58,.4,;11.04,1.94,;11.04,-1.14,;-.58,-.77,;-.58,.77,;-1.91,1.54,;-1.91,3.08,;-1.91,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.9,-1.15,;9.13,-2.48,;9.9,-3.82,;9.13,-5.15,;7.59,-5.15,;6.82,-3.82,;7.59,-2.48,;5.28,-3.82,;4.48,-2.5,;5.22,-1.15,;2.94,-2.51,;2.1,-4.09,;.77,-3.32,;-.57,-4.09,;-1.9,-3.32,;-1.9,-1.78,;-.57,-1.01,;-.57,.53,;-1.9,1.3,;-3.23,.53,;-4.57,1.3,;-4.57,2.84,;-5.9,3.61,;-7.24,2.84,;-7.24,1.3,;-8.57,.53,;-9.9,1.3,;-9.9,2.84,;-8.57,3.61,;-8.57,5.15,;-3.23,3.61,;-1.9,2.84,;-.57,3.61,;.77,1.3,;.77,2.84,;2.1,.53,;2.1,-1.01,;.77,-1.78,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-1.63,4.35,;-2.97,3.58,;-4.3,4.35,;-5.64,3.58,;-6.97,4.35,;-8.3,3.58,;-9.64,4.35,;-10.97,3.58,;-10.97,2.04,;-9.64,1.27,;-8.3,2.04,;-5.64,2.04,;-4.3,1.27,;-2.97,2.04,;-1.63,1.27,;-1.63,-.27,;-2.97,-1.04,;-2.97,-2.58,;-1.63,-3.35,;-.3,-2.58,;1.03,-3.35,;1.88,-1.77,;3.42,-1.77,;4.19,-.44,;4.19,-3.1,;5.73,-3.1,;6.63,-4.35,;8.1,-3.87,;8.1,-2.33,;6.63,-1.86,;9.43,-1.56,;10.97,-1.56,;10.2,-.23,;1.03,-.27,;1.03,1.27,;-.3,2.04,;-.3,3.58,;-.3,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)N4CCCCC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4.03,5.06,;-5.36,4.29,;-6.69,5.06,;-8.03,4.29,;-9.36,5.06,;-10.69,4.29,;-12.03,5.06,;-13.36,4.29,;-13.36,2.75,;-12.03,1.98,;-10.69,2.75,;-8.03,2.75,;-6.69,1.98,;-5.36,2.75,;-4.03,1.98,;-4.03,.44,;-5.36,-.33,;-5.36,-1.87,;-4.03,-2.64,;-2.69,-1.87,;-1.36,-2.64,;-.52,-1.06,;1.02,-1.06,;1.79,-2.39,;1.79,.28,;3.33,.28,;4.1,1.61,;5.64,1.61,;6.41,.28,;5.64,-1.06,;4.1,-1.06,;6.41,-2.39,;5.64,-3.73,;7.95,-2.39,;8.72,-3.73,;10.26,-3.73,;11.03,-5.06,;9.49,-5.06,;11.03,-2.39,;12.59,-2.39,;13.36,-1.06,;12.59,.28,;11.05,.28,;10.28,-1.06,;8.72,-1.06,;9.49,.28,;-1.36,.44,;-1.36,1.98,;-2.69,2.75,;-2.69,4.29,;-2.69,-.33,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN)c([nH]c1=O)c23 |r,wU:25.26,(-1.71,4.39,;-3.04,3.62,;-4.37,4.39,;-5.71,3.62,;-7.04,4.39,;-8.38,3.62,;-9.71,4.39,;-11.04,3.62,;-11.04,2.08,;-9.71,1.31,;-8.38,2.08,;-5.71,2.08,;-4.37,1.31,;-3.04,2.08,;-1.71,1.31,;-1.71,-.23,;-3.04,-1,;-3.04,-2.54,;-1.71,-3.31,;-.37,-2.54,;.96,-3.31,;1.8,-1.73,;3.34,-1.73,;4.11,-.39,;4.11,-3.06,;5.65,-3.06,;6.42,-4.39,;7.96,-4.39,;8.73,-3.06,;7.96,-1.73,;6.42,-1.73,;8.73,-.39,;7.96,.94,;10.27,-.39,;11.04,.94,;.96,-.23,;.96,1.31,;-.37,2.08,;-.37,3.62,;-.37,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)NC4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-4.3,5.06,;-5.63,4.29,;-6.97,5.06,;-8.3,4.29,;-9.63,5.06,;-10.97,4.29,;-12.3,5.06,;-13.64,4.29,;-13.64,2.75,;-12.3,1.98,;-10.97,2.75,;-8.3,2.75,;-6.97,1.98,;-5.63,2.75,;-4.3,1.98,;-4.3,.44,;-5.63,-.33,;-5.63,-1.87,;-4.3,-2.64,;-2.97,-1.87,;-1.63,-2.64,;-.79,-1.06,;.75,-1.06,;1.52,-2.39,;1.52,.28,;3.06,.28,;3.83,1.61,;5.37,1.61,;6.14,.28,;5.37,-1.06,;3.83,-1.06,;6.14,-2.39,;5.37,-3.73,;7.68,-2.39,;8.45,-1.06,;9.99,-1.06,;10.76,-2.39,;11.53,-1.06,;10.76,.28,;12.3,.28,;13.64,-.49,;13.64,1.05,;8.45,-3.73,;9.22,-5.06,;-1.63,.44,;-1.63,1.98,;-2.97,2.75,;-2.97,4.29,;-2.97,-.33,)|
C[C@H]1CCC(CN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.66,-.93,;9.12,-.93,;8.35,-2.27,;6.81,-2.27,;6.04,-.93,;6.81,.4,;8.35,.4,;4.5,-.93,;3.73,-2.27,;4.5,-3.6,;2.19,-2.27,;1.35,-3.85,;.01,-3.08,;-1.32,-3.85,;-2.66,-3.08,;-2.66,-1.54,;-1.32,-.77,;-1.32,.77,;-2.66,1.54,;-3.99,.77,;-5.32,1.54,;-5.32,3.08,;-6.66,3.85,;-7.99,3.08,;-9.32,3.85,;-10.66,3.08,;-10.66,1.54,;-9.32,.77,;-7.99,1.54,;-3.99,3.85,;-2.66,3.08,;-1.32,3.85,;.01,1.54,;.01,3.08,;1.35,.77,;1.35,-.77,;.01,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H]4F)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.2,3.85,;-1.53,3.08,;-2.86,3.85,;-4.2,3.08,;-5.53,3.85,;-6.87,3.08,;-8.2,3.85,;-9.53,3.08,;-9.53,1.54,;-8.2,.77,;-6.87,1.54,;-4.2,1.54,;-2.86,.77,;-1.53,1.54,;-.2,.77,;-.2,-.77,;-1.53,-1.54,;-1.53,-3.08,;-.2,-3.85,;1.14,-3.08,;2.47,-3.85,;3.31,-2.27,;4.85,-2.27,;5.62,-3.6,;5.62,-.93,;7.16,-.93,;8.07,.31,;9.53,-.16,;9.53,-1.7,;8.07,-2.18,;7.67,-3.67,;2.47,-.77,;2.47,.77,;1.14,1.54,;1.14,3.08,;1.14,-1.54,)|
COC(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,2.28,;11.43,.94,;9.89,.94,;9.12,2.28,;9.12,-.39,;7.58,-.39,;6.81,.94,;6.81,-1.73,;7.58,-3.06,;6.81,-4.39,;5.27,-4.39,;4.5,-3.06,;5.27,-1.73,;2.96,-3.06,;2.19,-1.73,;2.96,-.39,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
COC[C@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,wD:3.3,(12.2,2.28,;11.43,.94,;9.89,.94,;9.12,-.39,;9.89,-1.73,;7.58,-.39,;6.81,.94,;6.81,-1.73,;7.58,-3.06,;6.81,-4.39,;5.27,-4.39,;4.5,-3.06,;5.27,-1.73,;2.96,-3.06,;2.19,-1.73,;2.96,-.39,;.65,-1.73,;-.19,-3.31,;-1.53,-2.54,;-2.86,-3.31,;-4.2,-2.54,;-4.2,-1,;-2.86,-.23,;-2.86,1.31,;-4.2,2.08,;-5.53,1.31,;-6.86,2.08,;-6.86,3.62,;-8.2,4.39,;-9.53,3.62,;-10.86,4.39,;-12.2,3.62,;-12.2,2.08,;-10.86,1.31,;-9.53,2.08,;-5.53,4.39,;-4.2,3.62,;-2.86,4.39,;-1.53,2.08,;-1.53,3.62,;-.19,1.31,;-.19,-.23,;-1.53,-1,)|
CCOc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:28.29,(-10.55,4.78,;-9.22,5.55,;-7.89,4.78,;-7.89,3.24,;-9.22,2.47,;-9.22,.93,;-7.89,.16,;-6.55,.93,;-6.55,2.47,;-5.22,3.24,;-3.89,2.47,;-3.89,.93,;-2.55,.16,;-1.22,.93,;-1.22,2.47,;.11,3.24,;-2.55,3.24,;.11,.16,;.11,-1.38,;-1.22,-2.15,;-1.22,-3.69,;.11,-4.46,;1.45,-3.69,;2.78,-4.46,;3.62,-2.88,;5.16,-2.88,;5.93,-1.55,;5.93,-4.21,;7.47,-4.21,;8.24,-5.55,;9.78,-5.55,;10.55,-4.21,;9.78,-2.88,;10.55,-1.55,;8.24,-2.88,;2.78,-1.38,;2.78,.16,;1.45,.93,;1.45,2.47,;1.45,-2.15,)|
COCC(C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,4.13,;11.43,2.79,;9.89,2.79,;9.12,1.46,;9.89,.12,;7.58,1.46,;6.81,2.79,;6.81,.12,;7.58,-1.21,;6.81,-2.54,;5.27,-2.54,;4.5,-1.21,;5.27,.12,;2.96,-1.21,;2.19,-2.54,;2.96,-3.88,;.65,-2.54,;-.19,-4.13,;-1.53,-3.36,;-2.86,-4.13,;-4.2,-3.36,;-4.2,-1.82,;-2.86,-1.05,;-2.86,.49,;-4.2,1.26,;-5.53,.49,;-6.86,1.26,;-6.86,2.8,;-8.2,3.57,;-9.53,2.8,;-10.86,3.57,;-12.2,2.8,;-12.2,1.26,;-10.86,.49,;-9.53,1.26,;-5.53,3.57,;-4.2,2.8,;-2.86,3.57,;-1.53,1.26,;-1.53,2.8,;-.19,.49,;-.19,-1.05,;-1.53,-1.82,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,(-.2,4.35,;-1.53,3.58,;-2.86,4.35,;-4.2,3.58,;-5.53,4.35,;-6.87,3.58,;-8.2,4.35,;-9.53,3.58,;-9.53,2.04,;-8.2,1.27,;-6.87,2.04,;-4.2,2.04,;-2.86,1.27,;-1.53,2.04,;-.2,1.27,;-.2,-.27,;-1.53,-1.04,;-1.53,-2.58,;-.2,-3.35,;1.14,-2.58,;2.47,-3.35,;3.31,-1.77,;4.85,-1.77,;5.62,-.44,;5.62,-3.1,;7.16,-3.1,;8.07,-4.35,;9.53,-3.87,;9.53,-2.33,;8.07,-1.86,;2.47,-.27,;2.47,1.27,;1.14,2.04,;1.14,3.58,;1.14,-1.04,)|
CN1C[C@H](F)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:6.8,(9.89,-3.6,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;6.81,-.93,;7.58,-2.27,;5.27,-.93,;4.5,-2.27,;5.27,-3.6,;2.96,-2.27,;2.12,-3.85,;.78,-3.08,;-.55,-3.85,;-1.89,-3.08,;-1.89,-1.54,;-.55,-.77,;-.55,.77,;-1.89,1.54,;-3.22,.77,;-4.55,1.54,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-3.22,3.85,;-1.89,3.08,;-.55,3.85,;.78,1.54,;.78,3.08,;2.12,.77,;2.12,-.77,;.78,-1.54,)|
CN1CC(CCC1=O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.12,-.39,;8.35,-1.73,;6.81,-1.73,;6.04,-3.06,;6.81,-4.39,;8.35,-4.39,;9.12,-3.06,;10.66,-3.06,;4.5,-3.06,;3.73,-1.73,;4.5,-.39,;2.19,-1.73,;1.35,-3.31,;.01,-2.54,;-1.32,-3.31,;-2.66,-2.54,;-2.66,-1,;-1.32,-.23,;-1.32,1.31,;-2.66,2.08,;-3.99,1.31,;-5.32,2.08,;-5.32,3.62,;-6.66,4.39,;-7.99,3.62,;-9.32,4.39,;-10.66,3.62,;-10.66,2.08,;-9.32,1.31,;-7.99,2.08,;-3.99,4.39,;-2.66,3.62,;-1.32,4.39,;.01,2.08,;.01,3.62,;1.35,1.31,;1.35,-.23,;.01,-1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCN)c([nH]c1=O)c23 |r,wU:25.26,(-2.48,3.85,;-3.81,3.08,;-5.14,3.85,;-6.48,3.08,;-7.81,3.85,;-9.15,3.08,;-10.48,3.85,;-11.81,3.08,;-11.81,1.54,;-10.48,.77,;-9.15,1.54,;-6.48,1.54,;-5.14,.77,;-3.81,1.54,;-2.48,.77,;-2.48,-.77,;-3.81,-1.54,;-3.81,-3.08,;-2.48,-3.85,;-1.14,-3.08,;.19,-3.85,;1.03,-2.27,;2.57,-2.27,;3.34,-3.6,;3.34,-.93,;4.88,-.93,;5.65,-2.27,;7.19,-2.27,;7.96,-.93,;7.19,.4,;5.65,.4,;7.96,1.73,;7.19,3.07,;9.5,1.73,;10.27,3.07,;11.81,3.07,;.19,-.77,;.19,.77,;-1.14,1.54,;-1.14,3.08,;-1.14,-1.54,)|
CN1C[C@@H](F)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,3.3,(9.89,-5.06,;9.12,-3.73,;9.89,-2.39,;9.12,-1.06,;9.89,.28,;7.58,-1.06,;6.81,-2.39,;7.58,-3.73,;5.27,-2.39,;4.5,-1.06,;5.27,.28,;2.96,-1.06,;2.12,-2.64,;.78,-1.87,;-.55,-2.64,;-1.89,-1.87,;-1.89,-.33,;-.55,.44,;-.55,1.98,;-1.89,2.75,;-3.22,1.98,;-4.55,2.75,;-4.55,4.29,;-5.89,5.06,;-7.22,4.29,;-8.55,5.06,;-9.89,4.29,;-9.89,2.75,;-8.55,1.98,;-7.22,2.75,;-3.22,5.06,;-1.89,4.29,;-.55,5.06,;.78,2.75,;.78,4.29,;2.12,1.98,;2.12,.44,;.78,-.33,)|
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Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNC(=O)C4)c([nH]c1=O)c23 |(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,.4,;9.12,.4,;9.89,-.93,;9.12,-2.27,;9.89,-3.6,;7.58,-2.27,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H](F)C4)c([nH]c1=O)c23 |r,wD:25.26,29.31,(-.55,4.39,;-1.89,3.62,;-3.22,4.39,;-4.55,3.62,;-5.89,4.39,;-7.22,3.62,;-8.55,4.39,;-9.89,3.62,;-9.89,2.08,;-8.55,1.31,;-7.22,2.08,;-4.55,2.08,;-3.22,1.31,;-1.89,2.08,;-.55,1.31,;-.55,-.23,;-1.89,-1,;-1.89,-2.54,;-.55,-3.31,;.78,-2.54,;2.12,-3.31,;2.96,-1.73,;4.5,-1.73,;5.27,-.39,;5.27,-3.06,;6.81,-3.06,;7.58,-4.39,;9.12,-4.39,;9.89,-3.06,;9.12,-1.73,;9.89,-.39,;7.58,-1.73,;2.12,-.23,;2.12,1.31,;.78,2.08,;.78,3.62,;.78,-1,)|
CN1C[C@H](O)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.3,wD:6.8,(9.89,-5.06,;9.12,-3.73,;9.89,-2.39,;9.12,-1.06,;9.89,.28,;7.58,-1.06,;6.81,-2.39,;7.58,-3.73,;5.27,-2.39,;4.5,-1.06,;5.27,.28,;2.96,-1.06,;2.12,-2.64,;.78,-1.87,;-.55,-2.64,;-1.89,-1.87,;-1.89,-.33,;-.55,.44,;-.55,1.98,;-1.89,2.75,;-3.22,1.98,;-4.55,2.75,;-4.55,4.29,;-5.89,5.06,;-7.22,4.29,;-8.55,5.06,;-9.89,4.29,;-9.89,2.75,;-8.55,1.98,;-7.22,2.75,;-3.22,5.06,;-1.89,4.29,;-.55,5.06,;.78,2.75,;.78,4.29,;2.12,1.98,;2.12,.44,;.78,-.33,)|
CCc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:27.28,(-9.89,5.55,;-8.55,4.78,;-8.55,3.24,;-9.89,2.47,;-9.89,.93,;-8.55,.16,;-7.22,.93,;-7.22,2.47,;-5.89,3.24,;-4.55,2.47,;-4.55,.93,;-3.22,.16,;-1.89,.93,;-1.89,2.47,;-.55,3.24,;-3.22,3.24,;-.55,.16,;-.55,-1.38,;-1.89,-2.15,;-1.89,-3.69,;-.55,-4.46,;.78,-3.69,;2.12,-4.46,;2.96,-2.88,;4.5,-2.88,;5.27,-1.55,;5.27,-4.21,;6.81,-4.21,;7.58,-5.55,;9.12,-5.55,;9.89,-4.21,;9.12,-2.88,;9.89,-1.55,;7.58,-2.88,;2.12,-1.38,;2.12,.16,;.78,.93,;.78,2.47,;.78,-2.15,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CC5CCN4CC5)c([nH]c1=O)c23 |THB:24:25:28.29:32.31,(-1.13,3.85,;-2.47,3.08,;-3.8,3.85,;-5.13,3.08,;-6.47,3.85,;-7.8,3.08,;-7.8,1.54,;-9.14,.77,;-10.47,1.54,;-10.47,3.08,;-9.14,3.85,;-5.13,1.54,;-3.8,.77,;-2.47,1.54,;-1.13,.77,;-1.13,-.77,;-2.47,-1.54,;-2.47,-3.08,;-1.13,-3.85,;.2,-3.08,;1.53,-3.85,;2.38,-2.27,;3.92,-2.27,;4.69,-3.6,;4.69,-.93,;6.23,-.93,;7.63,-.56,;9.34,-1.1,;10.47,.19,;9.06,-.1,;7.74,-1.6,;8.34,-2.93,;9.81,-2.48,;1.53,-.77,;1.53,.77,;.2,1.54,;.2,3.08,;.2,-1.54,)|
CC1CNCCC1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(6.81,-.39,;7.58,-1.73,;9.12,-1.73,;9.89,-3.06,;9.12,-4.39,;7.58,-4.39,;6.81,-3.06,;5.27,-3.06,;4.5,-1.73,;5.27,-.39,;2.96,-1.73,;2.12,-3.31,;.78,-2.54,;-.55,-3.31,;-1.89,-2.54,;-1.89,-1,;-.55,-.23,;-.55,1.31,;-1.89,2.08,;-3.22,1.31,;-4.55,2.08,;-4.55,3.62,;-5.89,4.39,;-7.22,3.62,;-8.55,4.39,;-9.89,3.62,;-9.89,2.08,;-8.55,1.31,;-7.22,2.08,;-3.22,4.39,;-1.89,3.62,;-.55,4.39,;.78,2.08,;.78,3.62,;2.12,1.31,;2.12,-.23,;.78,-1,)|
C[C@@H]1CCC(CN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(10.69,-.98,;9.15,-.98,;8.38,.36,;6.84,.36,;6.07,-.98,;6.84,-2.31,;8.38,-2.31,;4.53,-.98,;3.76,-2.31,;4.53,-3.64,;2.22,-2.31,;1.32,-3.56,;-.02,-3.08,;-1.36,-3.85,;-2.69,-3.08,;-2.69,-1.54,;-1.36,-.77,;-1.36,.77,;-2.69,1.54,;-4.02,.77,;-5.36,1.54,;-5.36,3.08,;-6.69,3.85,;-8.02,3.08,;-9.36,3.85,;-10.69,3.08,;-10.69,1.54,;-9.36,.77,;-8.02,1.54,;-4.02,3.85,;-2.69,3.08,;-1.36,3.85,;-.02,1.54,;-.02,3.08,;1.31,.77,;1.32,-1.06,;-.02,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNCC(F)(F)C4)c([nH]c1=O)c23 |r,wU:25.26,(-.71,5.14,;-2.05,4.37,;-3.38,5.14,;-4.71,4.37,;-6.05,5.14,;-7.38,4.37,;-8.71,5.14,;-10.05,4.37,;-10.05,2.83,;-8.71,2.06,;-7.38,2.83,;-4.71,2.83,;-3.38,2.06,;-2.05,2.83,;-.71,2.06,;-.71,.52,;-2.05,-.25,;-2.05,-1.79,;-.71,-2.56,;.62,-1.79,;1.96,-2.56,;2.8,-.98,;4.34,-.98,;5.11,.35,;5.11,-2.32,;6.65,-2.32,;7.42,-.98,;8.96,-.98,;9.73,-2.32,;8.96,-3.65,;10.05,-4.74,;8.56,-5.14,;7.42,-3.65,;1.96,.52,;1.96,2.06,;.62,2.83,;.62,4.37,;.62,-.25,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:26.27,(-5.81,-1.05,;-5.81,.49,;-7.15,1.26,;-7.15,2.8,;-8.48,3.57,;-9.81,2.8,;-9.81,1.26,;-11.15,.49,;-12.48,1.26,;-12.48,2.8,;-11.15,3.57,;-5.81,3.57,;-4.48,2.8,;-3.14,3.57,;-4.48,1.26,;-3.14,.49,;-3.14,-1.05,;-4.48,-1.82,;-4.48,-3.36,;-3.14,-4.13,;-1.81,-3.36,;-.48,-4.13,;.37,-2.54,;1.91,-2.54,;2.68,-3.88,;2.68,-1.21,;4.22,-1.21,;4.99,-2.54,;6.53,-2.54,;7.3,-1.21,;6.53,.12,;4.99,.12,;7.3,1.46,;6.53,2.79,;8.84,1.46,;9.61,.12,;11.15,.12,;12.48,-.65,;12.48,.89,;9.61,2.79,;10.38,4.13,;-.48,-1.05,;-.48,.49,;-1.81,1.26,;-1.81,2.8,;-1.81,-1.82,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-10.14,4.29,;-8.81,5.06,;-7.47,4.29,;-7.47,2.75,;-6.14,1.98,;-4.8,2.75,;-4.8,4.29,;-3.47,5.06,;-6.14,5.06,;-3.47,1.98,;-3.47,.44,;-4.8,-.33,;-4.8,-1.87,;-3.47,-2.64,;-2.14,-1.87,;-.8,-2.64,;.04,-1.06,;1.58,-1.06,;2.35,-2.39,;2.35,.28,;3.83,.28,;4.6,1.61,;6.14,1.61,;6.91,.28,;6.14,-1.06,;4.6,-1.06,;6.91,-2.39,;6.14,-3.73,;8.6,-2.39,;9.37,-1.06,;8.6,.28,;8.6,1.82,;7.27,1.05,;9.37,-3.73,;10.14,-5.06,;-.8,.44,;-.8,1.98,;-2.14,2.75,;-2.14,4.29,;-2.14,-.33,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-11.17,4.29,;-9.84,5.06,;-8.51,4.29,;-8.51,2.75,;-7.17,1.98,;-5.84,2.75,;-5.84,4.29,;-4.5,5.06,;-7.17,5.06,;-4.5,1.98,;-4.5,.44,;-5.84,-.33,;-5.84,-1.87,;-4.5,-2.64,;-3.17,-1.87,;-1.84,-2.64,;-.99,-1.06,;.55,-1.06,;1.32,-2.39,;1.32,.28,;2.91,.28,;3.68,1.61,;5.22,1.61,;5.99,.28,;5.22,-1.06,;3.68,-1.06,;5.99,-2.39,;5.22,-3.73,;7.53,-2.39,;8.3,-1.06,;9.84,-1.06,;11.17,-1.83,;11.17,-.29,;8.3,-3.73,;9.07,-5.06,;-1.84,.44,;-1.84,1.98,;-3.17,2.75,;-3.17,4.29,;-3.17,-.33,)|
Cc1cc(OC2CCCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.18,4.41,;-4.51,3.64,;-5.84,4.41,;-7.18,3.64,;-8.51,4.41,;-9.85,3.64,;-11.18,4.41,;-12.51,3.64,;-12.51,2.1,;-11.18,1.33,;-9.85,2.1,;-7.18,2.1,;-5.84,1.33,;-4.51,2.1,;-3.18,1.33,;-3.18,-.21,;-4.51,-.98,;-4.51,-2.52,;-3.18,-3.29,;-1.84,-2.52,;-.51,-2.99,;.4,-1.75,;1.94,-1.75,;2.71,-.41,;2.71,-3.08,;4.25,-3.08,;5.02,-4.41,;6.56,-4.41,;7.33,-3.08,;6.56,-1.75,;5.02,-1.75,;7.33,-.41,;6.56,.92,;8.87,-.41,;9.64,-1.75,;11.18,-1.75,;12.51,-2.52,;12.51,-.98,;9.64,.92,;10.41,2.25,;-.51,-.5,;-.51,1.33,;-1.84,2.1,;-1.84,3.64,;-1.84,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H](O)C4)c([nH]c1=O)c23 |r,wU:29.31,wD:25.26,(-.55,3.85,;-1.89,3.08,;-3.22,3.85,;-4.55,3.08,;-5.89,3.85,;-7.22,3.08,;-8.55,3.85,;-9.89,3.08,;-9.89,1.54,;-8.55,.77,;-7.22,1.54,;-4.55,1.54,;-3.22,.77,;-1.89,1.54,;-.55,.77,;-.55,-.77,;-1.89,-1.54,;-1.89,-3.08,;-.55,-3.85,;.78,-3.08,;2.12,-3.85,;2.96,-2.27,;4.5,-2.27,;5.27,-3.6,;5.27,-.93,;6.81,-.93,;7.58,-2.27,;9.12,-2.27,;9.89,-.93,;9.12,.4,;9.89,1.73,;7.58,.4,;2.12,-.77,;2.12,.77,;.78,1.54,;.78,3.08,;.78,-1.54,)|
O=C(CC#N)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(9.03,-6.31,;8.26,-4.97,;9.03,-3.64,;10.57,-3.64,;8.26,-2.3,;9.03,-.97,;8.26,.36,;6.72,.36,;5.95,-.97,;6.72,-2.3,;4.41,-.97,;3.64,.36,;4.41,1.7,;2.1,.36,;1.43,-1.39,;.1,-.62,;-1.24,-1.39,;-2.57,-.62,;-2.57,.92,;-1.24,1.69,;-1.24,3.23,;-2.57,4,;-3.91,3.23,;-5.24,4,;-5.24,5.54,;-6.57,6.31,;-7.91,5.54,;-7.91,4,;-9.24,3.23,;-10.57,4,;-10.57,5.54,;-9.24,6.31,;-3.91,6.31,;-2.57,5.54,;-1.24,6.31,;.1,4,;.1,5.54,;1.43,3.23,;1.43,1.69,;.1,.92,)|
Cc1cc(OC2CC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:22.23,(-3.62,3.49,;-4.96,2.72,;-6.29,3.49,;-7.63,2.72,;-8.96,3.49,;-10.29,2.72,;-11.83,2.72,;-11.06,1.38,;-7.63,1.18,;-6.29,.41,;-4.96,1.18,;-3.62,.41,;-3.62,-1.13,;-4.96,-1.9,;-4.96,-3.44,;-3.62,-4.21,;-2.29,-3.44,;-.96,-4.21,;-.28,-2.46,;1.26,-2.46,;2.03,-3.79,;2.03,-1.12,;3.57,-1.12,;4.34,-2.46,;5.88,-2.46,;6.65,-1.12,;5.88,.21,;4.34,.21,;6.65,1.55,;5.88,2.88,;8.19,1.55,;8.96,.21,;10.5,.21,;11.83,-.56,;11.83,.98,;8.96,2.88,;9.72,4.21,;-.96,-1.13,;-.96,.41,;-2.29,1.18,;-2.29,2.72,;-2.29,-1.9,)|
CN1C[C@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,wD:3.3,(10.12,.78,;8.78,.01,;8.78,-1.53,;7.32,-2.01,;6.84,-3.47,;6.41,-.76,;7.32,.49,;4.87,-.76,;4.1,-2.09,;4.87,-3.43,;2.56,-2.09,;1.89,-3.85,;.55,-3.08,;-.78,-3.85,;-2.11,-3.08,;-2.11,-1.54,;-.78,-.77,;-.78,.77,;-2.11,1.54,;-3.45,.77,;-4.78,1.54,;-4.78,3.08,;-6.11,3.85,;-7.45,3.08,;-8.78,3.85,;-10.12,3.08,;-10.12,1.54,;-8.78,.77,;-7.45,1.54,;-3.45,3.85,;-2.11,3.08,;-.78,3.85,;.55,1.54,;.55,3.08,;1.89,.77,;1.89,-.77,;.55,-1.54,)|
CN1CCCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.58,-1.07,;9.25,-1.84,;9.37,-3.37,;8.24,-4.42,;6.71,-4.19,;5.94,-2.86,;6.51,-1.42,;7.98,-.97,;4.4,-2.86,;3.63,-1.52,;4.4,-.19,;2.09,-1.52,;1.42,-3.28,;.09,-2.51,;-1.25,-3.28,;-2.58,-2.51,;-2.58,-.97,;-1.25,-.2,;-1.25,1.34,;-2.58,2.11,;-3.92,1.34,;-5.25,2.11,;-5.25,3.65,;-6.58,4.42,;-7.92,3.65,;-7.92,2.11,;-9.25,1.34,;-10.58,2.11,;-10.58,3.65,;-9.25,4.42,;-3.92,4.42,;-2.58,3.65,;-1.25,4.42,;.09,2.11,;.09,3.65,;1.42,1.34,;1.42,-.2,;.09,-.97,)|
COCC(C)(C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(12.11,4.21,;11.34,2.88,;9.8,2.88,;9.03,1.55,;9.8,.21,;10.57,1.55,;7.49,1.55,;6.72,2.88,;6.72,.21,;7.49,-1.12,;6.72,-2.46,;5.18,-2.46,;4.41,-1.12,;5.18,.21,;2.87,-1.12,;2.1,-2.46,;2.87,-3.79,;.56,-2.46,;-.11,-4.21,;-1.44,-3.44,;-2.78,-4.21,;-4.11,-3.44,;-4.11,-1.9,;-2.78,-1.13,;-2.78,.41,;-4.11,1.18,;-5.45,.41,;-6.78,1.18,;-6.78,2.72,;-8.11,3.49,;-9.45,2.72,;-10.78,3.49,;-12.11,2.72,;-12.11,1.18,;-10.78,.41,;-9.45,1.18,;-5.45,3.49,;-4.11,2.72,;-2.78,3.49,;-1.44,1.18,;-1.44,2.72,;-.11,.41,;-.11,-1.13,;-1.44,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(CC4)C#N)c([nH]c1=O)c23 |(-1.91,4.42,;-3.24,3.65,;-4.58,4.42,;-5.91,3.65,;-7.25,4.42,;-8.58,3.65,;-8.58,2.11,;-9.91,1.34,;-11.25,2.11,;-11.25,3.65,;-9.91,4.42,;-5.91,2.11,;-4.58,1.34,;-3.24,2.11,;-1.91,1.34,;-1.91,-.2,;-3.24,-.97,;-3.24,-2.51,;-1.91,-3.28,;-.58,-2.51,;.76,-3.28,;1.43,-1.52,;2.97,-1.52,;3.74,-.19,;3.74,-2.86,;5.28,-2.86,;6.05,-4.19,;7.58,-4.42,;8.7,-3.37,;8.59,-1.84,;7.32,-.97,;5.84,-1.42,;9.92,-1.07,;11.25,-.3,;.76,-.2,;.76,1.34,;-.58,2.11,;-.58,3.65,;-.58,-.97,)|
COC[C@@H](OC)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,3.3,(12.11,-2.97,;11.34,-4.31,;9.8,-4.31,;9.03,-2.97,;9.8,-1.64,;11.34,-1.64,;7.49,-2.97,;6.72,-4.31,;6.72,-1.64,;7.49,-.3,;6.72,1.03,;5.18,1.03,;4.41,-.3,;5.18,-1.64,;2.87,-.3,;2.1,-1.64,;2.87,-2.97,;.56,-1.64,;-.11,-3.39,;-1.44,-2.62,;-2.78,-3.39,;-4.11,-2.62,;-4.11,-1.08,;-2.78,-.31,;-2.78,1.23,;-4.11,2,;-5.45,1.23,;-6.78,2,;-6.78,3.54,;-8.11,4.31,;-9.45,3.54,;-10.78,4.31,;-12.11,3.54,;-12.11,2,;-10.78,1.23,;-9.45,2,;-5.45,4.31,;-4.11,3.54,;-2.78,4.31,;-1.44,2,;-1.44,3.54,;-.11,1.23,;-.11,-.31,;-1.44,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.42,4.31,;-3.76,3.54,;-5.09,4.31,;-6.42,3.54,;-7.76,4.31,;-9.09,3.54,;-9.09,2,;-10.43,1.23,;-11.76,2,;-11.76,3.54,;-10.43,4.31,;-6.42,2,;-5.09,1.23,;-3.76,2,;-2.42,1.23,;-2.42,-.31,;-3.76,-1.08,;-3.76,-2.62,;-2.42,-3.39,;-1.09,-2.62,;.24,-3.39,;.92,-1.64,;2.46,-1.64,;3.23,-.3,;3.23,-2.97,;4.77,-2.97,;5.54,-4.31,;7.08,-4.31,;7.85,-2.97,;7.08,-1.64,;5.54,-1.64,;7.85,-.3,;7.08,1.03,;9.39,-.3,;10.29,-1.55,;11.76,-1.07,;11.76,.47,;10.29,.94,;.24,-.31,;.24,1.23,;-1.09,2,;-1.09,3.54,;-1.09,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4(CO)CCOCC4)c([nH]c1=O)c23 |(-.47,3.85,;-1.8,3.08,;-3.14,3.85,;-4.47,3.08,;-5.8,3.85,;-7.14,3.08,;-8.47,3.85,;-9.8,3.08,;-9.8,1.54,;-8.47,.77,;-7.14,1.54,;-4.47,1.54,;-3.14,.77,;-1.8,1.54,;-.47,.77,;-.47,-.77,;-1.8,-1.54,;-1.8,-3.08,;-.47,-3.85,;.87,-3.08,;2.2,-3.85,;2.87,-2.09,;4.41,-2.09,;5.18,-3.43,;5.18,-.76,;6.72,-.76,;5.95,.57,;6.72,1.91,;7.49,-2.09,;9.03,-2.09,;9.8,-.76,;9.03,.57,;7.49,.57,;2.2,-.77,;2.2,.77,;.87,1.54,;.87,3.08,;.87,-1.54,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:21.21,(-11.06,5.01,;-9.73,4.23,;-9.73,2.7,;-8.39,1.92,;-8.39,.39,;-7.06,-.39,;-5.73,.39,;-5.73,1.92,;-4.39,2.7,;-7.06,2.7,;-4.39,-.39,;-4.39,-1.92,;-5.73,-2.7,;-5.73,-4.23,;-4.39,-5.01,;-3.06,-4.23,;-1.73,-5.01,;-1.05,-3.25,;.49,-3.25,;1.26,-4.58,;1.26,-1.91,;2.8,-1.91,;3.57,-3.25,;5.11,-3.25,;5.88,-1.91,;5.11,-.58,;3.57,-.58,;5.88,.75,;5.11,2.09,;7.42,.75,;8.19,-.58,;9.73,-.58,;11.06,-1.35,;11.06,.19,;8.19,2.09,;8.96,3.42,;-1.73,-1.92,;-1.73,-.39,;-3.06,.39,;-3.06,1.92,;-3.06,-2.7,)|
Fc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.29,4.31,;-5.62,3.54,;-6.96,4.31,;-8.29,3.54,;-8.29,2,;-6.96,1.23,;-5.62,2,;-4.29,1.23,;-4.29,-.31,;-5.62,-1.08,;-5.62,-2.62,;-4.29,-3.39,;-2.96,-2.62,;-1.62,-3.39,;-.95,-1.64,;.59,-1.64,;1.36,-.3,;1.36,-2.97,;2.9,-2.97,;3.67,-4.31,;5.21,-4.31,;5.98,-2.97,;5.21,-1.64,;3.67,-1.64,;5.98,-.3,;5.21,1.03,;7.52,-.3,;8.29,1.03,;-1.62,-.31,;-1.62,1.23,;-2.96,2,;-2.96,3.54,;-2.96,-1.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C(C)(C)N)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-2.01,2.82,;-3.34,2.05,;-4.68,2.82,;-6.01,2.05,;-7.34,2.82,;-8.68,2.05,;-8.68,.51,;-10.01,-.26,;-11.34,.51,;-11.34,2.05,;-10.01,2.82,;-6.01,.51,;-4.68,-.26,;-3.34,.51,;-2.01,-.26,;-2.01,-1.8,;-3.34,-2.57,;-3.34,-4.11,;-2.01,-4.88,;-.67,-4.11,;.66,-4.88,;1.33,-3.12,;2.87,-3.12,;3.64,-4.46,;3.64,-1.79,;5.18,-1.79,;5.95,-3.12,;7.49,-3.12,;8.26,-1.79,;7.49,-.46,;5.95,-.46,;8.26,.88,;7.49,2.21,;9.8,.88,;10.57,2.21,;9.8,3.55,;8.72,4.63,;8.47,2.78,;10.57,4.88,;10.57,-.46,;11.34,-1.79,;.66,-1.8,;.66,-.26,;-.67,.51,;-.67,2.05,;-.67,-2.57,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(N)CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.19,3.59,;-4.53,2.82,;-5.86,3.59,;-7.19,2.82,;-8.53,3.59,;-9.86,2.82,;-11.2,3.59,;-12.53,2.82,;-12.53,1.28,;-11.2,.51,;-9.86,1.28,;-7.19,1.28,;-5.86,.51,;-4.53,1.28,;-3.19,.51,;-3.19,-1.03,;-4.53,-1.8,;-4.53,-3.34,;-3.19,-4.11,;-1.86,-3.34,;-.53,-4.11,;.41,-2.55,;1.95,-2.55,;2.73,-3.89,;2.73,-1.22,;4.27,-1.22,;5.04,-2.55,;6.58,-2.55,;7.35,-1.22,;6.58,.11,;5.04,.11,;7.35,1.45,;6.58,2.78,;8.89,1.45,;9.66,.11,;11.2,.11,;11.97,-1.22,;12.53,.88,;11.2,1.65,;9.66,2.78,;10.43,4.11,;-.53,-1.03,;-.53,.51,;-1.86,1.28,;-1.86,2.82,;-1.86,-1.8,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H](O)C4)c([nH]c1=O)c23 |r,wD:25.26,29.31,(-.6,3.85,;-1.93,3.08,;-3.27,3.85,;-4.6,3.08,;-5.94,3.85,;-7.27,3.08,;-8.6,3.85,;-9.94,3.08,;-9.94,1.54,;-8.6,.77,;-7.27,1.54,;-4.6,1.54,;-3.27,.77,;-1.93,1.54,;-.6,.77,;-.6,-.77,;-1.93,-1.54,;-1.93,-3.08,;-.6,-3.85,;.73,-3.08,;2.07,-3.85,;3.01,-2.29,;4.55,-2.29,;5.32,-3.62,;5.32,-.96,;6.86,-.96,;7.63,-2.29,;9.17,-2.29,;9.94,-.96,;9.17,.38,;9.94,1.71,;7.63,.38,;2.07,-.77,;2.07,.77,;.73,1.54,;.73,3.08,;.73,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.61,4.4,;-3.94,3.63,;-5.27,4.4,;-6.61,3.63,;-7.94,4.4,;-9.28,3.63,;-10.61,4.4,;-11.94,3.63,;-11.94,2.09,;-10.61,1.32,;-9.28,2.09,;-6.61,2.09,;-5.27,1.32,;-3.94,2.09,;-2.61,1.32,;-2.61,-.22,;-3.94,-.99,;-3.94,-2.53,;-2.61,-3.3,;-1.27,-2.53,;.06,-3.3,;1,-1.74,;2.54,-1.74,;3.31,-.4,;3.31,-3.07,;4.95,-3.07,;5.72,-4.4,;7.26,-4.4,;8.03,-3.07,;7.26,-1.74,;5.72,-1.74,;8.03,-.4,;7.26,.93,;9.57,-.4,;10.48,-1.65,;11.94,-1.17,;11.94,.37,;10.48,.84,;.06,-.22,;.06,1.32,;-1.27,2.09,;-1.27,3.63,;-1.27,-.99,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.4,;-4.58,3.63,;-5.91,4.4,;-7.24,3.63,;-8.58,4.4,;-9.91,3.63,;-11.25,4.4,;-12.58,3.63,;-12.58,2.09,;-11.25,1.32,;-9.91,2.09,;-7.24,2.09,;-5.91,1.32,;-4.58,2.09,;-3.24,1.32,;-3.24,-.22,;-4.58,-.99,;-4.58,-2.53,;-3.24,-3.3,;-1.91,-2.53,;-.58,-3.3,;.36,-1.74,;1.9,-1.74,;2.67,-.4,;2.67,-3.07,;4.32,-3.07,;5.09,-4.4,;6.63,-4.4,;7.4,-3.07,;6.63,-1.74,;5.09,-1.74,;7.4,-.4,;6.63,.93,;8.94,-.4,;9.71,-1.74,;11.25,-1.74,;12.58,-2.51,;12.58,-.97,;-.58,-.22,;-.58,1.32,;-1.91,2.09,;-1.91,3.63,;-1.91,-.99,)|
CN1C[C@@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,3.3,(10.2,.72,;8.96,-.19,;8.96,-1.73,;7.49,-2.2,;7.02,-3.67,;6.59,-.96,;7.49,.29,;5.05,-.96,;4.28,-2.29,;5.05,-3.62,;2.74,-2.29,;1.8,-3.85,;.46,-3.08,;-.87,-3.85,;-2.2,-3.08,;-2.2,-1.54,;-.87,-.77,;-.87,.77,;-2.2,1.54,;-3.54,.77,;-4.87,1.54,;-4.87,3.08,;-6.2,3.85,;-7.54,3.08,;-8.87,3.85,;-10.2,3.08,;-10.2,1.54,;-8.87,.77,;-7.54,1.54,;-3.54,3.85,;-2.2,3.08,;-.87,3.85,;.46,1.54,;.46,3.08,;1.8,.77,;1.8,-.77,;.46,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C5CC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.99,-1.84,;9.22,-3.17,;9.99,-4.51,;9.22,-5.84,;7.68,-5.84,;6.91,-4.51,;7.68,-3.17,;5.27,-4.51,;4.5,-3.17,;5.27,-1.84,;2.96,-3.17,;2.01,-4.73,;.68,-3.96,;-.65,-4.73,;-1.99,-3.96,;-1.99,-2.42,;-.65,-1.65,;-.65,-.11,;-1.99,.66,;-3.32,-.11,;-4.65,.66,;-4.65,2.2,;-5.99,2.97,;-7.32,2.2,;-7.32,.66,;-8.65,-.11,;-9.99,.66,;-9.99,2.2,;-8.65,2.97,;-8.65,4.51,;-7.88,5.84,;-9.42,5.84,;-3.32,2.97,;-1.99,2.2,;-.65,2.97,;.68,.66,;.68,2.2,;2.01,-.11,;2.01,-1.65,;.68,-2.42,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CNC(=O)C4)c([nH]c1=O)c23 |(-.87,3.85,;-2.2,3.08,;-3.54,3.85,;-4.87,3.08,;-6.2,3.85,;-7.54,3.08,;-8.87,3.85,;-10.2,3.08,;-10.2,1.54,;-8.87,.77,;-7.54,1.54,;-4.87,1.54,;-3.54,.77,;-2.2,1.54,;-.87,.77,;-.87,-.77,;-2.2,-1.54,;-2.2,-3.08,;-.87,-3.85,;.46,-3.08,;1.8,-3.85,;2.74,-2.29,;4.28,-2.29,;5.05,-3.62,;5.05,-.96,;6.59,-.96,;7.49,.29,;8.96,-.19,;8.96,-1.73,;10.2,-2.63,;7.49,-2.2,;1.8,-.77,;1.8,.77,;.46,1.54,;.46,3.08,;.46,-1.54,)|
CC1CC(CCN1C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.22,-.4,;8.45,-1.74,;6.91,-1.74,;6.14,-3.07,;6.91,-4.4,;8.45,-4.4,;9.22,-3.07,;10.76,-3.07,;4.5,-3.07,;3.73,-1.74,;4.5,-.4,;2.19,-1.74,;1.25,-3.3,;-.09,-2.53,;-1.42,-3.3,;-2.76,-2.53,;-2.76,-.99,;-1.42,-.22,;-1.42,1.32,;-2.76,2.09,;-4.09,1.32,;-5.42,2.09,;-5.42,3.63,;-6.76,4.4,;-8.09,3.63,;-9.42,4.4,;-10.76,3.63,;-10.76,2.09,;-9.42,1.32,;-8.09,2.09,;-4.09,4.4,;-2.76,3.63,;-1.42,4.4,;-.09,2.09,;-.09,3.63,;1.25,1.32,;1.25,-.22,;-.09,-.99,)|
CC(=C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.09,.38,;10.32,1.71,;11.09,3.05,;8.78,1.71,;8.01,3.05,;8.01,.38,;8.78,-.96,;8.01,-2.29,;6.47,-2.29,;5.7,-.96,;6.47,.38,;4.16,-.96,;3.39,-2.29,;4.16,-3.62,;1.85,-2.29,;.91,-3.85,;-.42,-3.08,;-1.76,-3.85,;-3.09,-3.08,;-3.09,-1.54,;-1.76,-.77,;-1.76,.77,;-3.09,1.54,;-4.42,.77,;-5.76,1.54,;-5.76,3.08,;-7.09,3.85,;-8.42,3.08,;-9.76,3.85,;-11.09,3.08,;-11.09,1.54,;-9.76,.77,;-8.42,1.54,;-4.42,3.85,;-3.09,3.08,;-1.76,3.85,;-.42,1.54,;-.42,3.08,;.91,.77,;.91,-.77,;-.42,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C4CC4)c([nH]c1=O)c23 |(-2.04,4.4,;-3.37,3.63,;-4.71,4.4,;-6.04,3.63,;-7.37,4.4,;-8.71,3.63,;-10.04,4.4,;-11.37,3.63,;-11.37,2.09,;-10.04,1.32,;-8.71,2.09,;-6.04,2.09,;-4.71,1.32,;-3.37,2.09,;-2.04,1.32,;-2.04,-.22,;-3.37,-.99,;-3.37,-2.53,;-2.04,-3.3,;-.7,-2.53,;.63,-3.3,;1.57,-1.74,;3.11,-1.74,;3.88,-3.07,;3.88,-.4,;5.42,-.4,;6.19,.93,;7.73,.93,;8.5,-.4,;7.73,-1.74,;6.19,-1.74,;8.5,-3.07,;7.73,-4.4,;10.04,-3.07,;11.37,-3.84,;11.37,-2.3,;.63,-.22,;.63,1.32,;-.7,2.09,;-.7,3.63,;-.7,-.99,)|
CN1CCCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.88,2.31,;8.88,.77,;10.08,-.19,;10.08,-1.73,;8.88,-2.69,;7.38,-2.34,;6.71,-.96,;7.38,.43,;5.17,-.96,;4.4,-2.29,;5.17,-3.62,;2.86,-2.29,;1.92,-3.85,;.59,-3.08,;-.75,-3.85,;-2.08,-3.08,;-2.08,-1.54,;-.75,-.77,;-.75,.77,;-2.08,1.54,;-3.42,.77,;-4.75,1.54,;-4.75,3.08,;-6.08,3.85,;-7.42,3.08,;-8.75,3.85,;-10.08,3.08,;-10.08,1.54,;-8.75,.77,;-7.42,1.54,;-3.42,3.85,;-2.08,3.08,;-.75,3.85,;.59,1.54,;.59,3.08,;1.92,.77,;1.92,-.77,;.59,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCOC4)c([nH]c1=O)c23 |r,wU:25.26,wD:33.35,(-2.61,3.85,;-3.94,3.08,;-5.27,3.85,;-6.61,3.08,;-7.94,3.85,;-9.28,3.08,;-10.61,3.85,;-11.94,3.08,;-11.94,1.54,;-10.61,.77,;-9.28,1.54,;-6.61,1.54,;-5.27,.77,;-3.94,1.54,;-2.61,.77,;-2.61,-.77,;-3.94,-1.54,;-3.94,-3.08,;-2.61,-3.85,;-1.27,-3.08,;.06,-3.85,;1,-2.29,;2.54,-2.29,;3.31,-3.62,;3.31,-.96,;4.95,-.96,;5.72,-2.29,;7.26,-2.29,;8.03,-.96,;7.26,.38,;5.72,.38,;8.03,1.71,;7.26,3.05,;9.57,1.71,;10.48,.47,;11.94,.94,;11.94,2.48,;10.48,2.96,;.06,-.77,;.06,.77,;-1.27,1.54,;-1.27,3.08,;-1.27,-1.54,)|
CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:7.8,2.1,(5.05,2.61,;6.82,2.24,;7.39,.51,;9.11,-.05,;9.11,-1.86,;10.58,-2.93,;7.39,-2.42,;6.32,-.96,;4.68,-.96,;3.91,-2.29,;4.68,-3.62,;2.37,-2.29,;1.43,-3.85,;.09,-3.08,;-1.24,-3.85,;-2.58,-3.08,;-2.58,-1.54,;-1.24,-.77,;-1.24,.77,;-2.58,1.54,;-3.91,.77,;-5.24,1.54,;-5.24,3.08,;-6.58,3.85,;-7.91,3.08,;-9.24,3.85,;-10.58,3.08,;-10.58,1.54,;-9.24,.77,;-7.91,1.54,;-3.91,3.85,;-2.58,3.08,;-1.24,3.85,;.09,1.54,;.09,3.08,;1.43,.77,;1.43,-.77,;.09,-1.54,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:21.22,(-7.63,-1.6,;-7.63,-.06,;-8.97,.71,;-8.97,2.25,;-7.63,3.02,;-7.31,4.52,;-5.78,4.68,;-5.15,3.28,;-6.3,2.25,;-6.3,.71,;-4.97,-.06,;-4.97,-1.6,;-6.3,-2.37,;-6.3,-3.91,;-4.97,-4.68,;-3.63,-3.91,;-2.3,-4.68,;-1.36,-3.12,;.18,-3.12,;.95,-4.46,;.95,-1.79,;2.6,-1.79,;3.5,-3.03,;4.97,-2.56,;4.97,-1.02,;3.5,-.54,;6.3,-.25,;6.3,1.29,;7.63,-1.02,;8.97,-.25,;-2.3,-1.6,;-2.3,-.06,;-3.63,.71,;-3.63,2.25,;-3.63,-2.37,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(C)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.66,-.4,;9.89,-1.74,;10.66,-3.07,;9.89,-4.4,;8.34,-4.4,;7.58,-3.07,;8.34,-1.74,;5.93,-3.07,;5.16,-1.74,;5.93,-.4,;3.62,-1.74,;2.68,-3.3,;1.35,-2.53,;.01,-3.3,;-1.32,-2.53,;-1.32,-.99,;.01,-.22,;.01,1.32,;-1.32,2.09,;-2.65,1.32,;-3.99,2.09,;-3.99,3.63,;-5.32,4.4,;-6.65,3.63,;-6.65,2.09,;-7.99,1.32,;-9.32,2.09,;-9.32,3.63,;-10.66,4.4,;-7.99,4.4,;-2.65,4.4,;-1.32,3.63,;.01,4.4,;1.35,2.09,;1.35,3.63,;2.68,1.32,;2.68,-.22,;1.35,-.99,)|
CO[C@@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.7,2.1,(8.72,-4.34,;7.69,-3.2,;8.16,-1.73,;9.63,-1.26,;9.63,.28,;8.16,.76,;7.26,-.49,;5.72,-.49,;4.95,-1.82,;5.72,-3.15,;3.41,-1.82,;2.5,-3.07,;1.04,-2.59,;-.29,-3.36,;-1.63,-2.59,;-1.63,-1.05,;-.29,-.28,;-.29,1.26,;-1.63,2.03,;-2.96,1.26,;-4.29,2.03,;-4.29,3.57,;-5.63,4.34,;-6.96,3.57,;-8.3,4.34,;-9.63,3.57,;-9.63,2.03,;-8.3,1.26,;-6.96,2.03,;-2.96,4.34,;-1.63,3.57,;-.29,4.34,;1.04,2.03,;1.04,3.57,;2.37,1.26,;2.37,-.28,;1.04,-1.05,)|
CCNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(13.45,1.59,;12.68,.25,;11.14,.25,;10.37,-1.08,;11.14,-2.41,;11.91,-1.08,;8.83,-1.08,;8.06,-2.41,;8.83,-3.75,;9.6,-5.08,;6.52,-2.41,;5.75,-3.75,;5.75,-1.08,;6.52,.25,;5.75,1.59,;4.21,1.59,;3.44,.25,;4.21,-1.08,;1.9,.25,;1.13,-1.08,;1.9,-2.41,;-.41,-1.08,;-1.32,-2.33,;-2.78,-1.85,;-4.11,-2.62,;-5.45,-1.85,;-5.45,-.31,;-4.11,.46,;-4.11,2,;-5.45,2.77,;-6.78,2,;-8.12,2.77,;-8.12,4.31,;-9.45,5.08,;-10.78,4.31,;-12.12,5.08,;-13.45,4.31,;-13.45,2.77,;-12.12,2,;-10.78,2.77,;-6.78,5.08,;-5.45,4.31,;-4.11,5.08,;-2.78,2.77,;-2.78,4.31,;-1.45,2,;-1.45,.46,;-2.78,-.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-1.32,3.85,;-2.65,3.08,;-3.98,3.85,;-5.32,3.08,;-6.65,3.85,;-7.98,3.08,;-9.32,3.85,;-10.65,3.08,;-10.65,1.54,;-9.32,.77,;-7.98,1.54,;-5.32,1.54,;-3.98,.77,;-2.65,1.54,;-1.32,.77,;-1.32,-.77,;-2.65,-1.54,;-2.65,-3.08,;-1.32,-3.85,;.02,-3.08,;1.48,-3.56,;2.39,-2.31,;3.93,-2.31,;4.7,-3.64,;4.7,-.98,;6.24,-.98,;7.01,-2.31,;8.55,-2.31,;9.32,-.98,;8.55,.36,;7.01,.36,;9.32,1.69,;10.65,2.46,;9.32,3.23,;1.35,-.77,;1.35,.77,;.02,1.54,;.02,3.08,;.02,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(F)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.65,-.41,;9.88,-1.75,;10.65,-3.08,;9.88,-4.41,;8.34,-4.41,;7.57,-3.08,;8.34,-1.75,;6.03,-3.08,;5.26,-1.75,;6.03,-.41,;3.72,-1.75,;2.82,-2.99,;1.35,-2.52,;.02,-3.29,;-1.32,-2.52,;-1.32,-.98,;.02,-.21,;.02,1.33,;-1.32,2.1,;-2.65,1.33,;-3.98,2.1,;-3.98,3.64,;-5.32,4.41,;-6.65,3.64,;-6.65,2.1,;-7.98,1.33,;-9.32,2.1,;-9.32,3.64,;-10.65,4.41,;-7.98,4.41,;-2.65,4.41,;-1.32,3.64,;.02,4.41,;1.35,2.1,;1.35,3.64,;2.69,1.33,;2.69,-.21,;1.35,-.98,)|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wU:10.12,(12.29,-.98,;11.52,.36,;9.98,.36,;9.21,1.69,;7.67,1.69,;6.9,3.02,;6.9,.36,;7.67,-.98,;6.9,-2.31,;5.36,-2.31,;4.59,-.98,;5.36,.36,;3.05,-.98,;2.28,-2.31,;3.05,-3.64,;.74,-2.31,;-.16,-3.56,;-1.63,-3.08,;-2.96,-3.85,;-4.29,-3.08,;-4.29,-1.54,;-2.96,-.77,;-2.96,.77,;-4.29,1.54,;-5.63,.77,;-6.96,1.54,;-6.96,3.08,;-8.29,3.85,;-9.63,3.08,;-10.96,3.85,;-12.29,3.08,;-12.29,1.54,;-10.96,.77,;-9.63,1.54,;-5.63,3.85,;-4.29,3.08,;-2.96,3.85,;-1.63,1.54,;-1.63,3.08,;-.29,.77,;-.29,-.77,;-1.63,-1.54,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.47,3.85,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-8.47,1.54,;-7.14,.77,;-5.8,1.54,;-4.47,.77,;-4.47,-.77,;-5.8,-1.54,;-5.8,-3.08,;-4.47,-3.85,;-3.14,-3.08,;-1.67,-3.56,;-.77,-2.31,;.77,-2.31,;1.54,-3.64,;1.54,-.98,;3.08,-.98,;3.85,-2.31,;5.39,-2.31,;6.16,-.98,;5.39,.36,;3.85,.36,;6.16,1.69,;5.39,3.02,;7.7,1.69,;8.47,.36,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-3.14,3.08,;-3.14,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCCN4CCNC4=O)c([nH]c1=O)c23 |(-1.45,3.85,;-2.78,3.08,;-4.12,3.85,;-5.45,3.08,;-6.78,3.85,;-8.12,3.08,;-9.45,3.85,;-10.78,3.08,;-10.78,1.54,;-9.45,.77,;-8.12,1.54,;-5.45,1.54,;-4.12,.77,;-2.78,1.54,;-1.45,.77,;-1.45,-.77,;-2.78,-1.54,;-2.78,-3.08,;-1.45,-3.85,;-.12,-3.08,;1.35,-3.56,;2.25,-2.31,;3.79,-2.31,;4.56,-3.64,;4.56,-.98,;6.1,-.98,;6.87,.36,;8.41,.36,;9.32,1.6,;10.78,1.13,;10.78,-.41,;9.32,-.89,;8.84,-2.35,;1.22,-.77,;1.22,.77,;-.12,1.54,;-.12,3.08,;-.12,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H]4F)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.29,3.85,;-1.63,3.08,;-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,.77,;-6.96,1.54,;-4.29,1.54,;-2.96,.77,;-1.63,1.54,;-.29,.77,;-.29,-.77,;-1.63,-1.54,;-1.63,-3.08,;-.29,-3.85,;1.04,-3.08,;2.5,-3.56,;3.41,-2.31,;4.95,-2.31,;5.72,-3.64,;5.72,-.98,;7.26,-.98,;8.16,.27,;9.63,-.21,;9.63,-1.75,;8.16,-2.22,;7.69,-3.69,;2.37,-.77,;2.37,.77,;1.04,1.54,;1.04,3.08,;1.04,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,4.41,;-4.29,3.64,;-5.63,4.41,;-6.96,3.64,;-8.29,4.41,;-9.63,3.64,;-10.96,4.41,;-12.3,3.64,;-12.3,2.1,;-10.96,1.33,;-9.63,2.1,;-6.96,2.1,;-5.63,1.33,;-4.29,2.1,;-2.96,1.33,;-2.96,-.21,;-4.29,-.98,;-4.29,-2.52,;-2.96,-3.29,;-1.63,-2.52,;-.16,-2.99,;.74,-1.75,;2.28,-1.75,;3.05,-.41,;3.05,-3.08,;4.59,-3.08,;5.36,-4.41,;6.9,-4.41,;7.67,-3.08,;6.9,-1.75,;5.36,-1.75,;7.67,-.41,;6.9,.92,;9.21,-.41,;9.98,-1.75,;11.53,-1.75,;12.3,-.41,;11.53,.92,;9.98,.92,;-.29,-.21,;-.29,1.33,;-1.63,2.1,;-1.63,3.64,;-1.63,-.98,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5O)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.98,-1.18,;9.21,-2.52,;9.98,-3.85,;9.21,-5.18,;7.67,-5.18,;6.9,-3.85,;7.67,-2.52,;5.36,-3.85,;4.59,-2.52,;5.36,-1.18,;3.05,-2.52,;2.15,-3.76,;.68,-3.29,;-.65,-4.06,;-1.98,-3.29,;-1.98,-1.75,;-.65,-.98,;-.65,.56,;-1.98,1.33,;-3.32,.56,;-4.65,1.33,;-4.65,2.87,;-5.98,3.64,;-7.32,2.87,;-7.32,1.33,;-8.65,.56,;-9.98,1.33,;-9.98,2.87,;-8.65,3.64,;-8.65,5.18,;-3.32,3.64,;-1.98,2.87,;-.65,3.64,;.68,1.33,;.68,2.87,;2.02,.56,;2.02,-.98,;.68,-1.75,)|
CCO\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.5,3.2,;10.96,3.2,;10.19,1.87,;8.65,1.87,;7.88,.54,;6.34,.54,;5.57,1.87,;5.57,-.8,;6.34,-2.13,;5.57,-3.47,;4.03,-3.47,;3.26,-2.13,;4.03,-.8,;1.72,-2.13,;.95,-3.47,;1.72,-4.8,;-.59,-3.47,;-1.5,-4.71,;-2.96,-4.23,;-4.3,-5,;-5.63,-4.23,;-5.63,-2.69,;-4.3,-1.93,;-3.68,-.04,;-4.77,1.05,;-6.25,.65,;-7.34,1.74,;-6.94,3.23,;-8.03,4.31,;-9.52,3.92,;-10.61,5,;-12.1,4.61,;-12.5,3.12,;-11.41,2.03,;-9.92,2.43,;-5.46,3.62,;-4.37,2.54,;-2.88,2.93,;-2.19,.36,;-1.79,1.84,;-1.1,-.73,;-1.5,-2.22,;-2.96,-2.69,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c(C)cc(Oc5ccccc5)cc4F)c(=O)[nH]c1c23 |r,wD:5.7,(9.98,-5.08,;9.21,-3.75,;9.98,-2.41,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;5.36,-2.41,;4.59,-1.08,;5.36,.25,;3.05,-1.08,;2.15,-2.33,;.68,-1.85,;-.65,-2.62,;-1.98,-1.85,;-1.98,-.31,;-.65,.46,;-.65,2,;-1.98,2.77,;-1.98,4.31,;-.65,5.08,;-3.32,5.08,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-4.65,2.77,;-3.32,2,;-3.32,.46,;.68,2.77,;.68,4.31,;2.02,2,;2.02,.46,;.68,-.31,)|
CC(C)c1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:28.29,(-7.32,5.57,;-8.65,4.8,;-9.98,5.57,;-8.65,3.26,;-9.98,2.49,;-9.98,.95,;-8.65,.18,;-7.32,.95,;-7.32,2.49,;-5.98,3.26,;-4.65,2.49,;-4.65,.95,;-3.32,.18,;-1.98,.95,;-1.98,2.49,;-.65,3.26,;-3.32,3.26,;-.65,.18,;-.65,-1.36,;-1.98,-2.13,;-1.98,-3.67,;-.65,-4.44,;.68,-3.67,;2.15,-4.15,;3.05,-2.9,;4.59,-2.9,;5.36,-1.57,;5.36,-4.23,;6.9,-4.23,;7.67,-5.57,;9.21,-5.57,;9.98,-4.23,;9.21,-2.9,;9.98,-1.57,;7.67,-2.9,;2.02,-1.36,;2.02,.18,;.68,.95,;.68,2.49,;.68,-2.13,)|
CO[C@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:6.8,(9.21,3.02,;9.98,1.69,;9.21,.36,;9.98,-.98,;9.21,-2.31,;7.67,-2.31,;6.9,-.98,;7.67,.36,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
CC(C)=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(9.6,2.25,;10.37,.92,;11.91,.92,;9.6,-.41,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
COCc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C)C5)c([nH]c2=O)c34)c1 |r,wU:27.27,(-11.98,4.41,;-10.65,3.64,;-9.32,4.41,;-7.98,3.64,;-7.98,2.1,;-6.65,1.33,;-5.32,2.1,;-5.32,3.64,;-3.98,4.41,;-2.65,3.64,;-2.65,2.1,;-1.32,1.33,;.02,2.1,;.02,3.64,;1.35,4.41,;-1.32,4.41,;1.35,1.33,;1.35,-.21,;.02,-.98,;.02,-2.52,;1.35,-3.29,;2.69,-2.52,;4.15,-2.99,;5.05,-1.75,;6.59,-1.75,;7.36,-.41,;7.36,-3.08,;8.9,-3.08,;9.67,-4.41,;11.21,-4.41,;11.98,-3.08,;11.21,-1.75,;11.98,-.41,;9.67,-1.75,;4.02,-.21,;4.02,1.33,;2.69,2.1,;2.69,3.64,;2.69,-.98,;-6.65,4.41,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5OC(F)(F)F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.65,-2.34,;9.88,-3.67,;10.65,-5,;9.88,-6.34,;8.34,-6.34,;7.57,-5,;8.34,-3.67,;6.03,-5,;5.26,-3.67,;6.03,-2.34,;3.72,-3.67,;2.82,-4.92,;1.35,-4.44,;.02,-5.21,;-1.32,-4.44,;-1.32,-2.9,;.02,-2.13,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-6.65,1.72,;-6.65,.18,;-7.98,-.59,;-9.32,.18,;-9.32,1.72,;-7.98,2.49,;-7.98,4.03,;-9.32,4.8,;-10.65,4.03,;-10.65,5.57,;-9.32,6.34,;-2.65,2.49,;-1.32,1.72,;.02,2.49,;1.35,.18,;1.35,1.72,;2.69,-.59,;2.69,-2.13,;1.35,-2.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\F)=C\C4CC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-9.91,2.1,;-11.24,1.33,;-12.58,2.1,;-12.58,3.64,;-11.24,4.41,;-7.24,2.1,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;9.7,.92,;11.24,.92,;12.58,.15,;12.58,1.69,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.14,5.34,;-4.23,4.25,;-5.56,5.02,;-6.89,4.25,;-8.23,5.02,;-9.56,4.25,;-9.56,2.71,;-10.89,1.94,;-12.23,2.71,;-12.23,4.25,;-10.89,5.02,;-6.89,2.71,;-5.56,1.94,;-4.23,2.71,;-2.89,1.94,;-2.89,.4,;-4.23,-.37,;-4.23,-1.91,;-2.89,-2.68,;-1.56,-1.91,;-.09,-2.38,;.81,-1.14,;2.35,-1.14,;3.12,-2.47,;3.12,.2,;4.66,.2,;5.75,-.89,;6.84,.2,;5.75,1.29,;8.38,.2,;9.15,1.53,;9.15,-1.14,;8.38,-2.47,;9.15,-3.8,;9.15,-5.34,;10.48,-4.57,;10.69,-1.14,;12.23,-1.14,;-.22,.4,;-.22,1.94,;-1.56,2.71,;-1.56,4.25,;-1.56,-.37,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C4CC4)c([nH]c1=O)c23 |(-1.88,4.45,;-2.97,3.36,;-4.3,4.13,;-5.64,3.36,;-6.97,4.13,;-8.3,3.36,;-8.3,1.82,;-9.64,1.05,;-10.97,1.82,;-10.97,3.36,;-9.64,4.13,;-5.64,1.82,;-4.3,1.05,;-2.97,1.82,;-1.63,1.05,;-1.63,-.49,;-2.97,-1.26,;-2.97,-2.8,;-1.63,-3.57,;-.3,-2.8,;1.16,-3.27,;2.07,-2.03,;3.61,-2.03,;4.38,-.69,;4.38,-3.36,;5.92,-3.36,;7.01,-2.27,;8.1,-3.36,;7.01,-4.45,;9.64,-3.36,;10.97,-4.13,;10.97,-2.59,;1.03,-.49,;1.03,1.05,;-.3,1.82,;-.3,3.36,;-.3,-1.26,)|
CO\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:12.14,(12.29,2.25,;11.52,.92,;9.98,.92,;9.21,-.41,;9.98,-1.75,;10.75,-3.08,;7.68,-.41,;6.91,.92,;6.91,-1.75,;7.68,-3.08,;6.91,-4.41,;5.37,-4.41,;4.6,-3.08,;5.37,-1.75,;3.05,-3.08,;2.28,-1.75,;3.05,-.41,;.75,-1.75,;-.16,-2.99,;-1.62,-2.52,;-2.96,-3.29,;-4.29,-2.52,;-4.29,-.98,;-2.96,-.21,;-2.96,1.33,;-4.29,2.1,;-5.63,1.33,;-6.96,2.1,;-6.96,3.64,;-8.29,4.41,;-9.63,3.64,;-10.96,4.41,;-12.29,3.64,;-12.29,2.1,;-10.96,1.33,;-9.63,2.1,;-5.63,4.41,;-4.29,3.64,;-2.96,4.41,;-1.62,2.1,;-1.62,3.64,;-.29,1.33,;-.29,-.21,;-1.62,-.98,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.49,4.57,;-4.57,3.48,;-5.91,4.25,;-7.24,3.48,;-8.58,4.25,;-9.91,3.48,;-11.24,4.25,;-12.58,3.48,;-12.58,1.94,;-11.24,1.17,;-9.91,1.94,;-7.24,1.94,;-5.91,1.17,;-4.57,1.94,;-3.24,1.17,;-3.24,-.37,;-4.57,-1.14,;-4.57,-2.68,;-3.24,-3.45,;-1.91,-2.68,;-.44,-3.15,;.46,-1.91,;2,-1.91,;2.77,-.57,;2.77,-3.24,;4.31,-3.24,;5.08,-4.57,;6.62,-4.57,;7.39,-3.24,;6.62,-1.91,;5.08,-1.91,;7.39,-.57,;6.62,.76,;8.93,-.57,;9.7,-1.91,;11.24,-1.91,;12.58,-2.68,;12.58,-1.14,;9.7,.76,;10.47,2.1,;-.57,-.37,;-.57,1.17,;-1.91,1.94,;-1.91,3.48,;-1.91,-1.14,)|
COCCNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:18.20,(14.6,1.43,;13.83,.09,;12.29,.09,;11.52,-1.24,;9.98,-1.24,;9.21,-2.57,;9.61,-4.06,;10.7,-2.97,;7.67,-2.57,;6.9,-3.91,;7.67,-5.24,;8.44,-6.57,;5.36,-3.91,;4.59,-5.24,;4.59,-2.57,;5.36,-1.24,;4.59,.09,;3.05,.09,;2.28,-1.24,;3.05,-2.57,;.74,-1.24,;-.03,.09,;.74,1.43,;-1.57,.09,;-2.47,-1.15,;-3.94,-.68,;-5.27,-1.45,;-6.6,-.68,;-6.6,.86,;-5.27,1.63,;-5.27,3.17,;-6.6,3.94,;-7.94,3.17,;-9.27,3.94,;-9.27,5.48,;-10.6,6.25,;-11.94,5.48,;-13.27,6.25,;-14.6,5.48,;-14.6,3.94,;-13.27,3.17,;-11.94,3.94,;-7.94,6.25,;-6.6,5.48,;-5.51,6.57,;-3.94,3.94,;-3.94,5.48,;-2.6,3.17,;-2.6,1.63,;-3.94,.86,)|
Fc1cc(Oc2ccccc2)cc(F)c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:26.27,(-.89,4.01,;-1.98,2.92,;-3.32,3.69,;-4.65,2.92,;-5.98,3.69,;-7.32,2.92,;-8.65,3.69,;-9.98,2.92,;-9.98,1.38,;-8.65,.61,;-7.32,1.38,;-4.65,1.38,;-3.32,.61,;-3.32,-.93,;-1.98,1.38,;-.65,.61,;-.65,-.93,;-1.98,-1.7,;-1.98,-3.24,;-.65,-4.01,;.68,-3.24,;2.15,-3.72,;3.05,-2.47,;4.59,-2.47,;5.36,-3.8,;5.36,-1.14,;6.9,-1.14,;7.67,-2.47,;9.21,-2.47,;9.98,-1.14,;9.21,.2,;7.67,.2,;2.02,-.93,;2.02,.61,;.68,1.38,;.68,2.92,;.68,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@@H]4O)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-.54,4.01,;-1.63,2.92,;-2.96,3.69,;-4.29,2.92,;-5.63,3.69,;-6.96,2.92,;-8.3,3.69,;-9.63,2.92,;-9.63,1.38,;-8.3,.61,;-6.96,1.38,;-4.29,1.38,;-2.96,.61,;-1.63,1.38,;-.29,.61,;-.29,-.93,;-1.63,-1.7,;-1.63,-3.24,;-.29,-4.01,;1.04,-3.24,;2.5,-3.72,;3.41,-2.47,;4.95,-2.47,;5.72,-3.8,;5.72,-1.14,;7.26,-1.14,;8.16,.11,;9.63,-.37,;9.63,-1.91,;8.16,-2.38,;7.77,-3.87,;2.37,-.93,;2.37,.61,;1.04,1.38,;1.04,2.92,;1.04,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)\C=C\CNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]4SC[C@@H]5NC(=O)N[C@H]45)c([nH]c1=O)c23 |r,wU:68.71,73.75,wD:65.67,(-18.47,-16.12,;-18.07,-17.61,;-19.16,-18.69,;-18.76,-20.18,;-19.85,-21.27,;-21.33,-20.87,;-21.73,-19.38,;-23.22,-18.99,;-24.31,-20.07,;-23.91,-21.56,;-22.42,-21.96,;-17.27,-20.58,;-16.18,-19.49,;-16.58,-18,;-15.49,-16.91,;-15.89,-15.43,;-17.46,-14.48,;-17.54,-12.94,;-16.25,-12.1,;-14.88,-12.8,;-13.44,-12.25,;-12.47,-13.45,;-10.99,-13.05,;-10.59,-11.56,;-9.9,-14.14,;-8.41,-13.74,;-7.32,-14.83,;-5.83,-14.43,;-5.43,-12.94,;-6.52,-11.85,;-8.01,-12.25,;-6.12,-10.36,;-7.21,-9.27,;-4.64,-9.96,;-4.24,-8.48,;-2.75,-8.08,;-2.35,-6.59,;-.86,-6.19,;.22,-7.28,;-.47,-4.7,;1.02,-4.31,;1.42,-2.82,;2.91,-2.42,;4,-3.51,;3.31,-.93,;4.79,-.53,;5.19,.95,;6.68,1.35,;7.08,2.84,;8.57,3.24,;8.96,4.73,;10.45,5.12,;10.85,6.61,;12.34,7.01,;12.74,8.5,;14.22,8.9,;14.62,10.38,;16.11,10.78,;16.51,12.27,;18,12.67,;19.09,11.58,;18.4,14.16,;19.88,14.56,;20.28,16.04,;21.77,16.44,;22.17,17.93,;23.63,18.41,;23.63,19.95,;22.17,20.42,;21.26,21.67,;19.8,21.19,;18.46,21.96,;19.8,19.65,;21.26,19.18,;-13.31,-14.74,;-12.91,-16.22,;-14,-17.31,;-13.6,-18.8,;-14.8,-14.34,)|
CNC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:15.17,(13.06,1.44,;11.52,1.44,;10.75,2.77,;11.52,4.1,;12.29,2.77,;9.21,2.77,;8.44,1.44,;9.21,.1,;9.98,-1.23,;6.9,1.44,;6.13,2.77,;6.13,.1,;6.9,-1.23,;6.13,-2.56,;4.59,-2.56,;3.82,-1.23,;4.59,.1,;2.28,-1.23,;1.51,-2.56,;2.28,-3.9,;-.03,-2.56,;-.93,-3.81,;-2.4,-3.33,;-3.73,-4.1,;-5.06,-3.33,;-5.06,-1.79,;-3.73,-1.02,;-3.73,.52,;-5.06,1.29,;-6.4,.52,;-7.73,1.29,;-7.73,2.83,;-9.06,3.6,;-10.4,2.83,;-11.73,3.6,;-13.06,2.83,;-13.06,1.29,;-11.73,.52,;-10.4,1.29,;-6.4,3.6,;-5.06,2.83,;-3.97,3.91,;-2.4,1.29,;-2.4,2.83,;-1.06,.52,;-1.06,-1.02,;-2.4,-1.79,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:21.22,(-8.58,-1.04,;-8.58,.5,;-9.91,1.27,;-9.91,2.81,;-8.58,3.58,;-8.26,5.09,;-6.72,5.25,;-6.1,3.84,;-7.24,2.81,;-7.24,1.27,;-5.91,.5,;-5.91,-1.04,;-7.24,-1.81,;-7.24,-3.35,;-5.91,-4.12,;-4.57,-3.35,;-3.11,-3.83,;-2.2,-2.58,;-.66,-2.58,;.11,-1.25,;.11,-3.91,;1.65,-3.91,;2.42,-5.25,;3.96,-5.25,;4.73,-3.91,;3.96,-2.58,;2.42,-2.58,;4.73,-1.25,;3.96,.09,;6.27,-1.25,;7.04,-2.58,;8.58,-2.58,;9.91,-3.35,;9.91,-1.81,;7.04,.09,;7.81,1.42,;-3.24,-1.04,;-3.24,.5,;-4.57,1.27,;-4.57,2.81,;-4.57,-1.81,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |(-2.09,4.54,;-3.18,3.45,;-4.51,4.22,;-5.85,3.45,;-7.18,4.22,;-8.52,3.45,;-9.85,4.22,;-11.18,3.45,;-11.18,1.91,;-9.85,1.14,;-8.52,1.91,;-5.85,1.91,;-4.51,1.14,;-3.18,1.91,;-1.85,1.14,;-1.85,-.4,;-3.18,-1.17,;-3.18,-2.71,;-1.85,-3.48,;-.51,-2.71,;.95,-3.19,;1.51,-1.87,;3.05,-1.87,;3.82,-.54,;3.82,-3.2,;5.36,-3.2,;6.45,-4.29,;7.54,-3.2,;6.45,-2.11,;9.08,-3.2,;9.85,-4.54,;9.85,-1.87,;9.08,-.54,;9.85,.8,;10.62,2.13,;8.52,1.57,;11.18,.03,;.82,-.4,;.82,1.14,;-.51,1.91,;-.51,3.45,;-.51,-1.17,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC[C@H]4O)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.41,4.01,;-1.49,2.92,;-2.83,3.69,;-4.16,2.92,;-5.5,3.69,;-6.83,2.92,;-8.16,3.69,;-9.5,2.92,;-9.5,1.38,;-8.16,.61,;-6.83,1.38,;-4.16,1.38,;-2.83,.61,;-1.49,1.38,;-.16,.61,;-.16,-.93,;-1.49,-1.7,;-1.49,-3.24,;-.16,-4.01,;1.17,-3.24,;2.51,-3.99,;3.28,-2.26,;4.82,-2.26,;5.59,-3.6,;5.59,-.93,;7.13,-.93,;8.03,.32,;9.5,-.16,;9.5,-1.7,;8.03,-2.18,;7.56,-3.64,;2.51,-.93,;2.51,.61,;1.17,1.38,;1.17,2.92,;1.17,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(F)(F)F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-1.85,;9.08,-3.18,;9.85,-4.52,;9.08,-5.85,;7.54,-5.85,;6.77,-4.52,;7.54,-3.18,;5.23,-4.52,;4.46,-3.18,;5.23,-1.85,;2.92,-3.18,;2.15,-4.91,;.82,-4.16,;-.52,-4.93,;-1.85,-4.16,;-1.85,-2.62,;-.52,-1.85,;-.52,-.31,;-1.85,.46,;-3.18,-.31,;-4.52,.46,;-4.52,2,;-5.85,2.77,;-7.18,2,;-7.18,.46,;-8.52,-.31,;-9.85,.46,;-9.85,2,;-8.52,2.77,;-8.52,4.31,;-9.85,5.08,;-7.18,5.08,;-8.52,5.85,;-3.18,2.77,;-1.85,2,;-.76,3.09,;.82,.46,;.82,2,;2.15,-.31,;2.15,-1.85,;.82,-2.62,)|
CN1C[C@H](O)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,wD:3.3,(10.16,.61,;8.83,-.16,;8.83,-1.7,;7.36,-2.18,;6.89,-3.64,;6.46,-.93,;7.36,.32,;4.92,-.93,;4.15,-2.26,;4.92,-3.6,;2.61,-2.26,;1.84,-3.99,;.51,-3.24,;-.83,-4.01,;-2.16,-3.24,;-2.16,-1.7,;-.83,-.93,;-.83,.61,;-2.16,1.38,;-3.49,.61,;-4.83,1.38,;-4.83,2.92,;-6.16,3.69,;-7.5,2.92,;-8.83,3.69,;-10.16,2.92,;-10.16,1.38,;-8.83,.61,;-7.5,1.38,;-3.49,3.69,;-2.16,2.92,;-1.07,4.01,;.51,1.38,;.51,2.92,;1.84,.61,;1.84,-.93,;.51,-1.7,)|
CO[C@H]1CN(C)C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,wD:2.1,(7.92,-4.4,;6.89,-3.25,;7.36,-1.79,;8.83,-1.31,;8.83,.23,;10.16,1,;7.36,.7,;6.46,-.54,;4.92,-.54,;4.15,-1.88,;4.92,-3.21,;2.61,-1.88,;1.84,-3.6,;.51,-2.85,;-.83,-3.62,;-2.16,-2.85,;-2.16,-1.31,;-.83,-.54,;-.83,1,;-2.16,1.77,;-3.49,1,;-4.83,1.77,;-4.83,3.31,;-6.16,4.08,;-7.5,3.31,;-8.83,4.08,;-10.16,3.31,;-10.16,1.77,;-8.83,1,;-7.5,1.77,;-3.49,4.08,;-2.16,3.31,;-1.07,4.4,;.51,1.77,;.51,3.31,;1.84,1,;1.84,-.54,;.51,-1.31,)|
CO[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.7,wD:2.1,(8.59,-4.4,;7.56,-3.25,;8.03,-1.79,;9.5,-1.31,;9.5,.23,;8.03,.7,;7.13,-.54,;5.59,-.54,;4.82,-1.88,;5.59,-3.21,;3.28,-1.88,;2.51,-3.6,;1.17,-2.85,;-.16,-3.62,;-1.49,-2.85,;-1.49,-1.31,;-.16,-.54,;-.16,1,;-1.49,1.77,;-2.83,1,;-4.16,1.77,;-4.16,3.31,;-5.5,4.08,;-6.83,3.31,;-8.16,4.08,;-9.5,3.31,;-9.5,1.77,;-8.16,1,;-6.83,1.77,;-2.83,4.08,;-1.49,3.31,;-.41,4.4,;1.17,1.77,;1.17,3.31,;2.51,1,;2.51,-.54,;1.17,-1.31,)|
COCCC(=O)N1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(12.43,-3.6,;10.91,-3.6,;10.14,-2.26,;8.62,-2.26,;7.85,-.93,;8.62,.4,;6.33,-.93,;5.24,-2.02,;4.15,-.93,;5.24,.16,;2.64,-.93,;1.87,-2.26,;2.64,-3.6,;.35,-2.26,;-.42,-3.99,;-1.76,-3.24,;-3.09,-4.01,;-4.42,-3.24,;-4.42,-1.7,;-3.09,-.93,;-3.09,.61,;-4.42,1.38,;-5.76,.61,;-7.09,1.38,;-7.09,2.92,;-8.43,3.69,;-9.76,2.92,;-11.09,3.69,;-12.43,2.92,;-12.43,1.38,;-11.09,.61,;-9.76,1.38,;-5.76,3.69,;-4.42,2.92,;-3.33,4.01,;-1.76,1.38,;-1.76,2.92,;-.42,.61,;-.42,-.93,;-1.76,-1.7,)|
CC(C)\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(12.2,-3.14,;11.43,-1.8,;12.2,-.47,;9.87,-1.8,;9.1,-.47,;7.54,-.47,;6.77,.86,;6.77,-1.8,;7.54,-3.14,;6.77,-4.47,;5.23,-4.47,;4.46,-3.14,;5.23,-1.8,;2.9,-3.14,;2.13,-1.8,;2.9,-.47,;.57,-1.8,;-.2,-3.53,;-1.54,-2.78,;-2.87,-3.55,;-4.2,-2.78,;-4.2,-1.24,;-2.87,-.47,;-2.87,1.07,;-4.2,1.84,;-5.54,1.07,;-6.87,1.84,;-6.87,3.38,;-8.2,4.15,;-9.54,3.38,;-10.87,4.15,;-12.2,3.38,;-12.2,1.84,;-10.87,1.07,;-9.54,1.84,;-5.54,4.15,;-4.2,3.38,;-3.11,4.47,;-1.54,1.84,;-1.54,3.38,;-.2,1.07,;-.2,-.47,;-1.54,-1.24,)|
CN1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.15,-.93,;8.61,-.93,;7.52,-2.02,;6.43,-.93,;7.52,.16,;4.91,-.93,;4.14,-2.26,;4.91,-3.6,;2.62,-2.26,;1.85,-3.99,;.52,-3.24,;-.81,-4.01,;-2.15,-3.24,;-2.15,-1.7,;-.81,-.93,;-.81,.61,;-2.15,1.38,;-3.48,.61,;-4.81,1.38,;-4.81,2.92,;-6.15,3.69,;-7.48,2.92,;-8.81,3.69,;-10.15,2.92,;-10.15,1.38,;-8.81,.61,;-7.48,1.38,;-3.48,3.69,;-2.15,2.92,;-1.06,4.01,;.52,1.38,;.52,2.92,;1.85,.61,;1.85,-.93,;.52,-1.7,)|
CN1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-3.6,;9.08,-2.26,;9.85,-.93,;9.08,.4,;7.54,.4,;6.77,-.93,;7.54,-2.26,;5.23,-.93,;4.46,-2.26,;5.23,-3.6,;2.92,-2.26,;2.15,-3.99,;.82,-3.24,;-.52,-4.01,;-1.85,-3.24,;-1.85,-1.7,;-.52,-.93,;-.52,.61,;-1.85,1.38,;-3.18,.61,;-4.52,1.38,;-4.52,2.92,;-5.85,3.69,;-7.18,2.92,;-8.52,3.69,;-9.85,2.92,;-9.85,1.38,;-8.52,.61,;-7.18,1.38,;-3.18,3.69,;-1.85,2.92,;-.76,4.01,;.82,1.38,;.82,2.92,;2.15,.61,;2.15,-.93,;.82,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCCCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-.47,;9.08,-1.8,;9.85,-3.14,;9.08,-4.47,;7.54,-4.47,;6.77,-3.14,;7.54,-1.8,;5.23,-3.14,;4.46,-1.8,;5.23,-.47,;2.92,-1.8,;2.15,-3.53,;.82,-2.78,;-.52,-3.55,;-1.85,-2.78,;-1.85,-1.24,;-.52,-.47,;-.52,1.07,;-1.85,1.84,;-3.18,1.07,;-4.52,1.84,;-4.52,3.38,;-5.85,4.15,;-7.18,3.38,;-8.52,4.15,;-9.85,3.38,;-9.85,1.84,;-8.52,1.07,;-7.18,1.84,;-3.18,4.15,;-1.85,3.38,;-.76,4.47,;.82,1.84,;.82,3.38,;2.15,1.07,;2.15,-.47,;.82,-1.24,)|
CCN1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.56,-1.92,;9.79,-3.26,;8.25,-3.26,;7.16,-4.35,;6.07,-3.26,;7.16,-2.17,;4.53,-3.26,;3.76,-1.92,;4.53,-.59,;2.22,-1.92,;1.45,-3.65,;.11,-2.9,;-1.22,-3.67,;-2.55,-2.9,;-2.55,-1.36,;-1.22,-.59,;-1.22,.95,;-2.55,1.72,;-3.89,.95,;-5.22,1.72,;-5.22,3.26,;-6.55,4.03,;-7.89,3.26,;-9.22,4.03,;-10.56,3.26,;-10.56,1.72,;-9.22,.95,;-7.89,1.72,;-3.89,4.03,;-2.55,3.26,;-1.46,4.35,;.11,1.72,;.11,3.26,;1.45,.95,;1.45,-.59,;.11,-1.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CNC4)c([nH]c1=O)c23 |(-.31,4.35,;-1.4,3.26,;-2.73,4.03,;-4.07,3.26,;-5.4,4.03,;-6.73,3.26,;-8.07,4.03,;-9.4,3.26,;-9.4,1.72,;-8.07,.95,;-6.73,1.72,;-4.07,1.72,;-2.73,.95,;-1.4,1.72,;-.06,.95,;-.06,-.59,;-1.4,-1.36,;-1.4,-2.9,;-.06,-3.67,;1.27,-2.9,;2.6,-3.65,;3.37,-1.93,;4.91,-1.93,;5.68,-.59,;5.68,-3.26,;7.22,-3.26,;8.31,-4.35,;9.4,-3.26,;8.31,-2.17,;2.6,-.59,;2.6,.95,;1.27,1.72,;1.27,3.26,;1.27,-1.36,)|
COc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Fc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Clc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CC1CC(CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.98,-.41,;9.21,-1.75,;7.67,-1.75,;6.9,-3.08,;7.67,-4.41,;9.21,-4.41,;9.98,-3.08,;5.36,-3.08,;4.59,-1.75,;5.36,-.41,;3.05,-1.75,;2.15,-2.99,;.68,-2.52,;-.65,-3.29,;-1.98,-2.52,;-1.98,-.98,;-.65,-.21,;-.65,1.33,;-1.98,2.1,;-3.32,1.33,;-4.65,2.1,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-3.32,4.41,;-1.98,3.64,;-.65,4.41,;.68,2.1,;.68,3.64,;2.02,1.33,;2.02,-.21,;.68,-.98,)|
CO[C@@H]1C[C@H](CN(C)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)=C(Cl)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(9.6,-1.75,;10.37,-3.08,;11.91,-3.08,;9.6,-4.41,;10.37,-5.75,;8.06,-4.41,;7.29,-5.75,;7.29,-3.08,;8.06,-1.75,;7.29,-.41,;5.75,-.41,;4.98,-1.75,;5.75,-3.08,;3.44,-1.75,;2.67,-.41,;3.44,.92,;1.13,-.41,;.22,-1.66,;-1.24,-1.18,;-2.57,-1.95,;-3.91,-1.18,;-3.91,.36,;-2.57,1.13,;-2.57,2.67,;-3.91,3.44,;-5.24,2.67,;-6.57,3.44,;-6.57,4.98,;-7.91,5.75,;-9.24,4.98,;-10.58,5.75,;-11.91,4.98,;-11.91,3.44,;-10.58,2.67,;-9.24,3.44,;-5.24,5.75,;-3.91,4.98,;-2.57,5.75,;-1.24,3.44,;-1.24,4.98,;.09,2.67,;.09,1.13,;-1.24,.36,)|
C\C=C(/F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(11.91,.92,;10.37,.92,;9.6,-.41,;10.37,-1.75,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
CN1CC(CC1=O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CC(C)=C(F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:11.13,(11.91,.92,;10.37,.92,;9.6,2.25,;9.6,-.41,;10.37,-1.75,;8.06,-.41,;7.29,.92,;7.29,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23)S(F)(F)(F)(F)F |r,wD:18.18,(-2.96,4.52,;-4.29,3.75,;-5.63,4.52,;-6.96,3.75,;-6.96,2.21,;-5.63,1.44,;-4.29,2.21,;-2.96,1.44,;-2.96,-.1,;-4.29,-.87,;-4.29,-2.41,;-2.96,-3.18,;-1.63,-2.41,;-.16,-2.89,;.74,-1.64,;2.28,-1.64,;3.05,-.31,;3.05,-2.98,;4.59,-2.98,;5.5,-1.73,;6.96,-2.21,;6.96,-3.75,;5.5,-4.22,;8.3,-4.52,;8.3,-6.06,;9.63,-3.75,;9.63,-2.21,;-.29,-.1,;-.29,1.44,;-1.63,2.21,;-1.63,3.75,;-1.63,-.87,;-8.3,4.52,;-9.63,5.29,;-8.3,6.06,;-6.96,5.29,;-8.3,2.98,;-9.63,3.75,)|
CN1CCC[C@H]1CNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.6,(10.12,-3,;9.03,-1.91,;9.11,-.37,;7.67,.18,;6.7,-1.02,;7.54,-2.31,;6.77,-3.64,;5.23,-3.64,;4.46,-2.31,;5.23,-.98,;2.92,-2.31,;2.02,-3.56,;.55,-3.08,;-.78,-3.85,;-2.12,-3.08,;-2.12,-1.54,;-.78,-.77,;-.78,.77,;-2.12,1.54,;-3.45,.77,;-4.78,1.54,;-4.78,3.08,;-6.12,3.85,;-7.45,3.08,;-8.78,3.85,;-10.12,3.08,;-10.12,1.54,;-8.78,.77,;-7.45,1.54,;-3.45,3.85,;-2.12,3.08,;-.78,3.85,;.55,1.54,;.55,3.08,;1.89,.77,;1.89,-.77,;.55,-1.54,)|
CN1C[C@@H](O)C[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,3.3,(9.98,-3.64,;9.21,-2.31,;9.98,-.98,;9.21,.36,;9.98,1.69,;7.67,.36,;6.9,-.98,;7.67,-2.31,;5.36,-.98,;4.59,-2.31,;5.36,-3.64,;3.05,-2.31,;2.15,-3.56,;.68,-3.08,;-.65,-3.85,;-1.98,-3.08,;-1.98,-1.54,;-.65,-.77,;-.65,.77,;-1.98,1.54,;-3.32,.77,;-4.65,1.54,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-3.32,3.85,;-1.98,3.08,;-.65,3.85,;.68,1.54,;.68,3.08,;2.02,.77,;2.02,-.77,;.68,-1.54,)|
CO[C@@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,2.1,(9.08,3.23,;9.85,1.9,;9.08,.56,;9.85,-.77,;9.08,-2.1,;7.54,-2.1,;6.77,-.77,;7.54,.56,;5.23,-.77,;4.46,-2.1,;5.23,-3.44,;2.92,-2.1,;2.26,-3.34,;.82,-3.08,;-.52,-3.85,;-1.85,-3.08,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.18,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-7.18,3.08,;-8.52,3.85,;-9.85,3.08,;-9.85,1.54,;-8.52,.77,;-7.18,1.54,;-3.18,3.85,;-1.85,3.08,;-.52,3.85,;.82,1.54,;.82,3.08,;2.15,.77,;2.15,-.77,;.82,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@@H]4CCCN4)c([nH]c1=O)c23 |r,wD:26.27,(-.28,3.85,;-1.61,3.08,;-2.95,3.85,;-4.28,3.08,;-5.61,3.85,;-6.95,3.08,;-8.28,3.85,;-9.61,3.08,;-9.61,1.54,;-8.28,.77,;-6.95,1.54,;-4.28,1.54,;-2.95,.77,;-1.61,1.54,;-.28,.77,;-.28,-.77,;-1.61,-1.54,;-1.61,-3.08,;-.28,-3.85,;1.06,-3.08,;2.52,-3.56,;3.43,-2.31,;4.97,-2.31,;5.74,-.98,;5.74,-3.64,;7.28,-3.64,;8.05,-2.31,;7.21,-1.02,;8.18,.18,;9.61,-.37,;9.53,-1.91,;2.39,-.77,;2.39,.77,;1.06,1.54,;1.06,3.08,;1.06,-1.54,)|
Cc1cc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.29,5.29,;-3.63,4.52,;-4.96,5.29,;-6.3,4.52,;-7.63,5.29,;-8.96,4.52,;-10.3,5.29,;-11.63,4.52,;-11.63,2.98,;-10.3,2.21,;-8.96,2.98,;-6.3,2.98,;-4.96,2.21,;-3.63,2.98,;-2.29,2.21,;-2.29,.67,;-3.63,-.1,;-3.63,-1.64,;-2.29,-2.41,;-.96,-1.64,;.5,-2.12,;1.41,-.87,;2.95,-.87,;3.72,.46,;3.72,-2.21,;5.26,-2.21,;6.16,-.96,;7.63,-1.44,;7.63,-2.98,;6.16,-3.45,;8.96,-3.75,;8.96,-5.29,;10.3,-2.98,;11.63,-3.75,;.37,.67,;.37,2.21,;-.96,2.98,;-.96,4.52,;-.96,-.1,)|
Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN1C[C@@H](CC(F)(F)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.9,(9.56,.27,;8.79,-1.06,;7.25,-1.06,;6.48,-2.39,;7.25,-3.73,;8.79,-3.73,;10.12,-4.5,;8.39,-5.21,;9.56,-2.39,;4.94,-2.39,;4.17,-1.06,;4.94,.27,;2.65,-1.06,;1.88,-2.79,;.55,-2.04,;-.79,-2.81,;-2.12,-2.04,;-2.12,-.5,;-.79,.27,;-.79,1.81,;-2.12,2.58,;-3.46,1.81,;-4.79,2.58,;-4.79,4.12,;-6.12,4.89,;-7.46,4.12,;-8.79,4.89,;-10.12,4.12,;-10.12,2.58,;-8.79,1.81,;-7.46,2.58,;-3.46,4.89,;-2.12,4.12,;-1.03,5.21,;.55,2.58,;.55,4.12,;1.88,1.81,;1.88,.27,;.55,-.5,)|
CC(C)N1CC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.56,-1.8,;9.79,-3.14,;10.56,-4.47,;8.25,-3.14,;7.16,-4.23,;6.07,-3.14,;7.16,-2.05,;4.53,-3.14,;3.76,-1.8,;4.53,-.47,;2.22,-1.8,;1.45,-3.53,;.11,-2.78,;-1.22,-3.55,;-2.55,-2.78,;-2.55,-1.24,;-1.22,-.47,;-1.22,1.07,;-2.55,1.84,;-3.89,1.07,;-5.22,1.84,;-5.22,3.38,;-6.55,4.15,;-7.89,3.38,;-9.22,4.15,;-10.56,3.38,;-10.56,1.84,;-9.22,1.07,;-7.89,1.84,;-3.89,4.15,;-2.55,3.38,;-1.46,4.47,;.11,1.84,;.11,3.38,;1.45,1.07,;1.45,-.47,;.11,-1.24,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\C(C)(C)C)c([nH]c1=O)c23 |r,wU:25.26,(-3.43,4.47,;-4.52,3.38,;-5.86,4.15,;-7.19,3.38,;-8.52,4.15,;-9.86,3.38,;-11.19,4.15,;-12.52,3.38,;-12.52,1.84,;-11.19,1.07,;-9.86,1.84,;-7.19,1.84,;-5.86,1.07,;-4.52,1.84,;-3.19,1.07,;-3.19,-.47,;-4.52,-1.24,;-4.52,-2.78,;-3.19,-3.55,;-1.86,-2.78,;-.52,-3.53,;.25,-1.8,;1.79,-1.8,;2.56,-.47,;2.56,-3.14,;4.1,-3.14,;4.87,-4.47,;6.41,-4.47,;7.18,-3.14,;6.41,-1.8,;4.87,-1.8,;7.18,-.47,;6.41,.86,;8.7,-.47,;9.47,-1.8,;10.98,-1.8,;11.75,-3.14,;11.75,-.47,;12.52,-1.8,;-.52,-.47,;-.52,1.07,;-1.86,1.84,;-1.86,3.38,;-1.86,-1.24,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCCN4CCOCC4)c([nH]c1=O)c23 |(-1.92,4.01,;-3.01,2.92,;-4.35,3.69,;-5.68,2.92,;-7.01,3.69,;-8.35,2.92,;-9.68,3.69,;-11.02,2.92,;-11.02,1.38,;-9.68,.61,;-8.35,1.38,;-5.68,1.38,;-4.35,.61,;-3.01,1.38,;-1.68,.61,;-1.68,-.93,;-3.01,-1.7,;-3.01,-3.24,;-1.68,-4.01,;-.35,-3.24,;.99,-3.99,;1.76,-2.26,;3.3,-2.26,;4.07,-.93,;4.07,-3.6,;5.63,-3.6,;6.4,-2.26,;7.96,-2.26,;8.73,-.93,;10.25,-.93,;11.02,-2.26,;10.25,-3.6,;8.73,-3.6,;.99,-.93,;.99,.61,;-.35,1.38,;-.35,2.92,;-.35,-1.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@H]4CCCN4)c([nH]c1=O)c23 |r,wU:26.27,(-.54,4.01,;-1.63,2.92,;-2.96,3.69,;-4.3,2.92,;-5.63,3.69,;-6.96,2.92,;-8.3,3.69,;-9.63,2.92,;-9.63,1.38,;-8.3,.61,;-6.96,1.38,;-4.3,1.38,;-2.96,.61,;-1.63,1.38,;-.3,.61,;-.3,-.93,;-1.63,-1.7,;-1.63,-3.24,;-.3,-4.01,;1.04,-3.24,;2.37,-3.99,;3.14,-2.26,;4.68,-2.26,;5.45,-.93,;5.45,-3.6,;7.01,-3.6,;7.78,-2.26,;7.15,-.86,;8.3,.17,;9.63,-.6,;9.31,-2.1,;2.37,-.93,;2.37,.61,;1.04,1.38,;1.04,2.92,;1.04,-1.7,)|
C\C=C(/Cl)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(11.79,3.23,;10.25,3.23,;9.48,1.9,;10.25,.56,;7.94,1.9,;7.17,3.23,;7.17,.56,;7.94,-.77,;7.17,-2.1,;5.63,-2.1,;4.86,-.77,;5.63,.56,;3.3,-.77,;2.53,-2.1,;3.3,-3.44,;.99,-2.1,;.22,-3.83,;-1.12,-3.08,;-2.45,-3.85,;-3.79,-3.08,;-3.79,-1.54,;-2.45,-.77,;-2.45,.77,;-3.79,1.54,;-5.12,.77,;-6.45,1.54,;-6.45,3.08,;-7.79,3.85,;-9.12,3.08,;-10.45,3.85,;-11.79,3.08,;-11.79,1.54,;-10.45,.77,;-9.12,1.54,;-5.12,3.85,;-3.79,3.08,;-2.45,3.85,;-1.12,1.54,;-1.12,3.08,;.22,.77,;.22,-.77,;-1.12,-1.54,)|
FC(F)(F)c1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.29,(-2.3,6.55,;-1.91,5.06,;-.42,5.46,;-1.14,6.39,;-2.99,3.97,;-4.33,4.74,;-5.66,3.97,;-7,4.74,;-8.33,3.97,;-9.66,4.74,;-11,3.97,;-11,2.43,;-9.66,1.66,;-8.33,2.43,;-5.66,2.43,;-4.33,1.66,;-2.99,2.43,;-1.66,1.66,;-1.66,.12,;-2.99,-.65,;-2.99,-2.19,;-1.66,-2.96,;-.33,-2.19,;1.01,-2.94,;1.78,-1.21,;3.3,-1.21,;4.07,.12,;4.07,-2.55,;5.61,-2.55,;6.38,-1.21,;7.92,-1.21,;8.69,-2.55,;7.92,-3.88,;6.38,-3.88,;8.69,-5.21,;7.92,-6.55,;10.23,-5.21,;11,-3.88,;1.01,.12,;1.01,1.66,;-.33,2.43,;-.33,3.97,;-.33,-.65,)|
Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
FC(F)(F)c1cc(ccc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(C)c4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.85,-4.21,;9.08,-2.87,;9.85,-1.54,;9.08,-.21,;7.54,-.21,;6.77,-1.54,;7.54,-2.87,;5.23,-1.54,;4.46,-2.87,;5.23,-4.21,;2.92,-2.87,;2.15,-4.6,;.82,-3.85,;-.52,-4.62,;-1.85,-3.85,;-1.85,-2.31,;-.52,-1.54,;-.52,,;-1.85,.77,;-3.18,,;-4.52,.77,;-4.52,2.31,;-5.85,3.08,;-7.18,2.31,;-8.52,3.08,;-9.85,2.31,;-9.85,.77,;-8.52,,;-7.18,.77,;-3.18,3.08,;-3.18,4.62,;-1.85,2.31,;-.52,3.08,;.82,.77,;.82,2.31,;2.15,,;2.15,-1.54,;.82,-2.31,)|
CN1CCC(CNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5C)c(=O)[nH]c2c34)C1 |(10.34,2.86,;8.94,2.23,;7.6,3,;6.46,1.97,;7.09,.56,;6.32,-.77,;4.74,-.77,;3.97,-2.1,;4.74,-3.44,;2.43,-2.1,;1.66,-3.83,;.33,-3.08,;-1.01,-3.85,;-2.34,-3.08,;-2.34,-1.54,;-1.01,-.77,;-1.01,.77,;-2.34,1.54,;-3.68,.77,;-5.01,1.54,;-5.01,3.08,;-6.34,3.85,;-7.68,3.08,;-9.01,3.85,;-10.34,3.08,;-10.34,1.54,;-9.01,.77,;-7.68,1.54,;-3.68,3.85,;-2.34,3.08,;-1.01,3.85,;.33,1.54,;.33,3.08,;1.66,.77,;1.66,-.77,;.33,-1.54,;8.62,.72,)|
CC(C)Oc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:29.30,(-9.23,6.24,;-9.23,4.7,;-10.57,3.93,;-7.9,3.93,;-7.9,2.39,;-9.23,1.62,;-9.23,.08,;-7.9,-.69,;-6.56,.08,;-6.56,1.62,;-5.23,2.39,;-3.9,1.62,;-3.9,.08,;-2.56,-.69,;-1.23,.08,;-1.23,1.62,;-.14,2.7,;-2.56,2.39,;.1,-.69,;.1,-2.23,;-1.23,-3,;-1.23,-4.54,;.1,-5.31,;1.44,-4.54,;2.77,-5.3,;3.54,-3.57,;5.08,-3.57,;5.85,-2.23,;5.85,-4.9,;7.49,-4.9,;8.26,-6.24,;9.8,-6.24,;10.57,-4.9,;9.8,-3.57,;10.57,-2.23,;8.26,-3.57,;2.77,-2.23,;2.77,-.69,;1.44,.08,;1.44,1.62,;1.44,-3,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.51,-.47,;8.74,-1.8,;9.51,-3.14,;8.74,-4.47,;7.2,-4.47,;6.43,-3.14,;7.2,-1.8,;4.79,-3.14,;4.02,-1.8,;4.79,-.47,;2.48,-1.8,;1.71,-3.53,;.38,-2.78,;-.95,-3.55,;-2.29,-2.78,;-2.29,-1.24,;-.95,-.47,;-.95,1.07,;-2.29,1.84,;-3.62,1.07,;-4.95,1.84,;-4.95,3.38,;-6.29,4.15,;-7.62,3.38,;-9.11,3.78,;-9.51,2.29,;-8.02,1.89,;-3.62,4.15,;-2.29,3.38,;-1.2,4.47,;.38,1.84,;.38,3.38,;1.71,1.07,;1.71,-.47,;.38,-1.24,)|
CN1CCC[C@@H]1CNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.6,(10.02,-3.25,;8.99,-2.1,;9.31,-.6,;7.98,.17,;6.84,-.86,;7.46,-2.26,;6.69,-3.6,;5.06,-3.6,;4.29,-2.26,;5.06,-.93,;2.75,-2.26,;1.98,-3.99,;.65,-3.24,;-.69,-4.01,;-2.02,-3.24,;-2.02,-1.7,;-.69,-.93,;-.69,.61,;-2.02,1.38,;-3.36,.61,;-4.69,1.38,;-4.69,2.92,;-6.02,3.69,;-7.36,2.92,;-8.69,3.69,;-10.02,2.92,;-10.02,1.38,;-8.69,.61,;-7.36,1.38,;-3.36,3.69,;-2.02,2.92,;-.93,4.01,;.65,1.38,;.65,2.92,;1.98,.61,;1.98,-.93,;.65,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cc(F)cc(F)c5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.56,-.47,;9.79,-1.8,;10.56,-3.14,;9.79,-4.47,;8.25,-4.47,;7.48,-3.14,;8.25,-1.8,;5.84,-3.14,;5.07,-1.8,;5.84,-.47,;3.55,-1.8,;2.78,-3.53,;1.45,-2.78,;.11,-3.55,;-1.22,-2.78,;-1.22,-1.24,;.11,-.47,;.11,1.07,;-1.22,1.84,;-2.55,1.07,;-3.89,1.84,;-3.89,3.38,;-5.22,4.15,;-6.55,3.38,;-6.55,1.84,;-7.89,1.07,;-7.89,-.47,;-9.22,1.84,;-9.22,3.38,;-10.56,4.15,;-7.89,4.15,;-2.55,4.15,;-1.22,3.38,;-.13,4.47,;1.45,1.84,;1.45,3.38,;2.78,1.07,;2.78,-.47,;1.45,-1.24,)|
FC(F)(F)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(C)cc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.56,-.47,;9.79,-1.8,;10.56,-3.14,;9.79,-4.47,;8.25,-4.47,;7.48,-3.14,;8.25,-1.8,;5.88,-3.14,;5.11,-1.8,;5.88,-.47,;3.55,-1.8,;2.78,-3.53,;1.45,-2.78,;.11,-3.55,;-1.22,-2.78,;-1.22,-1.24,;.11,-.47,;.11,1.07,;-1.22,1.84,;-2.55,1.07,;-3.89,1.84,;-3.89,3.38,;-5.22,4.15,;-6.55,3.38,;-7.89,4.15,;-9.22,3.38,;-9.22,1.84,;-10.56,1.07,;-7.89,1.07,;-6.55,1.84,;-2.55,4.15,;-1.22,3.38,;-.13,4.47,;1.45,1.84,;1.45,3.38,;2.78,1.07,;2.78,-.47,;1.45,-1.24,)|
C[C@H]1COCCN1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,(7.94,-1.14,;8.71,-2.47,;10.25,-2.47,;11.02,-3.8,;10.25,-5.14,;8.71,-5.14,;7.94,-3.8,;6.4,-3.8,;5.63,-2.47,;4.07,-2.47,;3.3,-1.14,;4.07,.2,;1.76,-1.14,;.99,-2.86,;-.35,-2.11,;-1.68,-2.88,;-3.01,-2.11,;-3.01,-.57,;-1.68,.2,;-1.68,1.74,;-3.01,2.51,;-4.35,1.74,;-5.68,2.51,;-5.68,4.05,;-7.02,4.82,;-8.35,4.05,;-9.68,4.82,;-11.02,4.05,;-11.02,2.51,;-9.68,1.74,;-8.35,2.51,;-4.35,4.82,;-3.01,4.05,;-1.93,5.14,;-.35,2.51,;-.35,4.05,;.99,1.74,;.99,.2,;-.35,-.57,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.85,-.47,;9.08,-1.8,;9.85,-3.14,;9.08,-4.47,;7.54,-4.47,;6.77,-3.14,;7.54,-1.8,;5.23,-3.14,;4.46,-1.8,;5.23,-.47,;2.92,-1.8,;2.15,-3.53,;.82,-2.78,;-.52,-3.55,;-1.85,-2.78,;-1.85,-1.24,;-.52,-.47,;-.52,1.07,;-1.85,1.84,;-3.18,1.07,;-4.52,1.84,;-4.52,3.38,;-5.85,4.15,;-7.18,3.38,;-8.52,4.15,;-9.85,3.38,;-9.85,1.84,;-8.52,1.07,;-7.18,1.84,;-3.18,4.15,;-1.85,3.38,;-.76,4.47,;.82,1.84,;.82,3.38,;2.15,1.07,;2.15,-.47,;.82,-1.24,)|
Clc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(F)cc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.54,-.47,;9.77,-1.8,;10.54,-3.14,;9.77,-4.47,;8.23,-4.47,;7.46,-3.14,;8.23,-1.8,;5.88,-3.14,;5.11,-1.8,;5.88,-.47,;3.57,-1.8,;2.8,-3.53,;1.47,-2.78,;.13,-3.55,;-1.2,-2.78,;-1.2,-1.24,;.13,-.47,;.13,1.07,;-1.2,1.84,;-2.53,1.07,;-3.87,1.84,;-3.87,3.38,;-5.2,4.15,;-6.54,3.38,;-7.87,4.15,;-9.2,3.38,;-9.2,1.84,;-10.54,1.07,;-7.87,1.07,;-6.54,1.84,;-2.53,4.15,;-1.2,3.38,;-.11,4.47,;1.47,1.84,;1.47,3.38,;2.8,1.07,;2.8,-.47,;1.47,-1.24,)|
C[C@@H]1COCCN1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:1.0,(7.96,.4,;8.73,-.93,;10.27,-.93,;11.04,-2.26,;10.27,-3.6,;8.73,-3.6,;7.96,-2.26,;6.38,-2.26,;5.61,-3.6,;4.05,-3.6,;3.28,-2.26,;4.05,-.93,;1.74,-2.26,;.97,-3.99,;-.37,-3.24,;-1.7,-4.01,;-3.03,-3.24,;-3.03,-1.7,;-1.7,-.93,;-1.7,.61,;-3.03,1.38,;-4.37,.61,;-5.7,1.38,;-5.7,2.92,;-7.04,3.69,;-8.37,2.92,;-9.7,3.69,;-11.04,2.92,;-11.04,1.38,;-9.7,.61,;-8.37,1.38,;-4.37,3.69,;-3.03,2.92,;-1.95,4.01,;-.37,1.38,;-.37,2.92,;.97,.61,;.97,-.93,;-.37,-1.7,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.74,-.47,;8.97,-1.8,;9.74,-3.14,;8.97,-4.47,;7.43,-4.47,;6.66,-3.14,;7.43,-1.8,;5.12,-3.14,;4.35,-1.8,;5.12,-.47,;2.81,-1.8,;2.04,-3.53,;.7,-2.78,;-.63,-3.55,;-1.96,-2.78,;-1.96,-1.24,;-.63,-.47,;-.63,1.07,;-1.96,1.84,;-3.3,1.07,;-4.63,1.84,;-4.63,3.38,;-5.97,4.15,;-7.3,3.38,;-8.71,4.01,;-9.74,2.86,;-8.97,1.53,;-7.46,1.85,;-3.3,4.15,;-1.96,3.38,;-.88,4.47,;.7,1.84,;.7,3.38,;2.04,1.07,;2.04,-.47,;.7,-1.24,)|
CN1CCCC1CCNC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(8.71,-2.15,;9.19,-.68,;10.65,-.21,;10.65,1.33,;9.19,1.81,;8.28,.56,;6.74,.56,;5.97,-.77,;4.43,-.77,;3.66,-2.1,;4.43,-3.44,;2.12,-2.1,;1.35,-3.83,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;-1.32,.77,;-2.65,1.54,;-3.98,.77,;-5.32,1.54,;-5.32,3.08,;-6.65,3.85,;-7.98,3.08,;-9.32,3.85,;-10.65,3.08,;-10.65,1.54,;-9.32,.77,;-7.98,1.54,;-3.98,3.85,;-2.65,3.08,;-1.32,3.85,;.02,1.54,;.02,3.08,;1.35,.77,;1.35,-.77,;.02,-1.54,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:20.20,(-10.16,3.08,;-8.83,3.85,;-7.5,3.08,;-7.5,1.54,;-6.16,.77,;-4.83,1.54,;-4.83,3.08,;-3.49,3.85,;-6.16,3.85,;-3.49,.77,;-3.49,-.77,;-4.83,-1.54,;-4.83,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.83,-3.83,;-.06,-2.1,;1.48,-2.1,;2.25,-3.44,;2.25,-.77,;3.79,-.77,;4.7,-2.02,;6.16,-1.54,;6.16,,;4.7,.48,;7.5,.77,;7.5,2.31,;8.83,,;10.16,.77,;-.83,-.77,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.85,-.82,;-3.01,.71,;-4.42,1.34,;-4.58,2.87,;-5.98,3.5,;-7.23,2.59,;-8.64,3.22,;-9.88,2.31,;-9.72,.78,;-8.31,.15,;-7.07,1.06,;-3.33,3.78,;-1.92,3.15,;-1.76,1.62,;-.36,.99,;-.2,-.54,;-1.33,-1.99,;-.85,-3.46,;.66,-3.78,;1.69,-2.63,;3.23,-2.63,;3.7,-1.17,;5.17,-.69,;6.31,-1.72,;5.49,.82,;6.95,1.29,;7.27,2.8,;8.74,3.27,;9.88,2.24,;9.56,.74,;8.1,.26,;2.46,-.26,;2.3,1.27,;.89,1.9,;.73,3.43,;1.21,-1.17,)|
Fc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-5.07,4.43,;-6.16,3.34,;-7.5,4.11,;-8.83,3.34,;-8.83,1.8,;-7.5,1.03,;-6.16,1.8,;-4.83,1.03,;-4.83,-.51,;-6.16,-1.28,;-6.16,-2.82,;-4.83,-3.59,;-3.49,-2.82,;-2.16,-3.57,;-1.39,-1.85,;.15,-1.85,;.92,-.51,;.92,-3.18,;2.46,-3.18,;3.36,-4.43,;4.83,-3.95,;4.83,-2.41,;3.36,-1.93,;6.16,-1.64,;6.16,-.1,;7.5,-2.41,;8.83,-1.64,;-2.16,-.51,;-2.16,1.03,;-3.49,1.8,;-3.49,3.34,;-3.49,-1.28,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccc(F)cc5F)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.54,1.9,;9.77,.56,;10.54,-.77,;9.77,-2.1,;8.23,-2.1,;7.46,-.77,;8.23,.56,;5.88,-.77,;5.11,-2.1,;5.88,-3.44,;3.57,-2.1,;2.8,-3.83,;1.47,-3.08,;.13,-3.85,;-1.2,-3.08,;-1.2,-1.54,;.13,-.77,;.13,.77,;-1.2,1.54,;-2.53,.77,;-3.87,1.54,;-3.87,3.08,;-5.2,3.85,;-6.54,3.08,;-7.87,3.85,;-9.2,3.08,;-9.2,1.54,;-10.54,.77,;-7.87,.77,;-6.54,1.54,;-5.2,.77,;-2.53,3.85,;-1.2,3.08,;.13,3.85,;1.47,1.54,;1.47,3.08,;2.8,.77,;2.8,-.77,;1.47,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(F)c(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-5.96,1.27,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:19.19,(-8.93,3.96,;-7.6,3.19,;-7.6,1.65,;-6.27,.88,;-4.93,1.65,;-4.93,3.19,;-3.6,3.96,;-6.27,3.96,;-3.6,.88,;-3.6,-.66,;-4.93,-1.43,;-4.93,-2.97,;-3.6,-3.74,;-2.27,-2.97,;-.78,-3.37,;.06,-2.08,;1.6,-2.08,;2.37,-3.41,;2.37,-.74,;3.91,-.74,;4.82,.5,;6.28,.03,;6.28,-1.51,;4.82,-1.99,;7.53,-2.42,;7.53,-3.96,;8.93,-1.79,;8.93,-.25,;-.93,-.66,;-.93,.88,;-2.27,1.65,;-2.27,3.19,;-2.27,-1.43,)|
Cc1cc(Oc2ccccc2)c(F)cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCOC4)c([nH]c1=O)c23 |r,wU:26.27,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-5.96,1.27,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)c(F)cc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCOC4)c([nH]c1=O)c23 |r,wD:26.27,(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-5.96,1.27,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCCN(Cc5ccccc5)C4=O)c([nH]c1=O)c23 |r,wU:25.26,(-2.71,4.95,;-4.05,4.18,;-5.38,4.95,;-6.71,4.18,;-8.05,4.95,;-9.38,4.18,;-10.71,4.95,;-12.05,4.18,;-12.05,2.64,;-10.71,1.87,;-9.38,2.64,;-6.71,2.64,;-5.38,1.87,;-4.05,2.64,;-2.71,1.87,;-2.71,.33,;-4.05,-.44,;-4.05,-1.98,;-2.71,-2.75,;-1.38,-1.98,;.11,-2.38,;.95,-1.09,;2.49,-1.09,;3.26,-2.42,;3.26,.24,;4.8,.24,;5.36,1.68,;6.83,2.13,;8.1,1.26,;8.22,-.27,;7.09,-1.32,;7.54,-2.79,;9.05,-3.13,;9.5,-4.6,;11,-4.95,;12.05,-3.82,;11.59,-2.35,;10.09,-2,;5.57,-1.09,;4.7,-2.36,;-.05,.33,;-.05,1.87,;-1.38,2.64,;-1.38,4.18,;-1.38,-.44,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC[C@@H]4CCCCN4)c([nH]c1=O)c23 |r,wD:26.27,(-.63,3.85,;-1.96,3.08,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-1.96,1.54,;-.63,.77,;-.63,-.77,;-1.96,-1.54,;-1.96,-3.08,;-.63,-3.85,;.71,-3.08,;2.19,-3.48,;3.03,-2.19,;4.57,-2.19,;5.34,-3.52,;5.34,-.85,;6.88,-.85,;7.65,.48,;6.88,1.81,;7.65,3.15,;9.19,3.15,;9.96,1.81,;9.19,.48,;2.04,-.77,;2.04,.77,;.71,1.54,;.71,3.08,;.71,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nn4)c(=O)[nH]c1c23 |r|
CO[C@H]1C[C@H](CN(C)C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:4.9,2.1,(9.19,3.15,;9.96,1.81,;9.19,.48,;7.65,.48,;6.88,-.85,;7.65,-2.19,;9.19,-2.19,;9.96,-3.52,;9.96,-.85,;5.34,-.85,;4.57,-2.19,;5.34,-3.52,;3.03,-2.19,;2.19,-3.48,;.71,-3.08,;-.63,-3.85,;-1.96,-3.08,;-1.96,-1.54,;-.63,-.77,;-.63,.77,;-1.96,1.54,;-3.29,.77,;-4.63,1.54,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-3.29,3.85,;-1.96,3.08,;-.63,3.85,;.71,1.54,;.71,3.08,;2.04,.77,;2.04,-.77,;.71,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C/C4CC4)\C(F)(F)F)c([nH]c1=O)c23 |r,wU:25.26,(-2.55,2.76,;-3.89,1.99,;-5.22,2.76,;-6.55,1.99,;-7.89,2.76,;-9.22,1.99,;-10.55,2.76,;-11.89,1.99,;-11.89,.45,;-10.55,-.32,;-9.22,.45,;-6.55,.45,;-5.22,-.32,;-3.89,.45,;-2.55,-.32,;-2.55,-1.86,;-3.89,-2.63,;-3.89,-4.17,;-2.55,-4.94,;-1.22,-4.17,;.27,-4.56,;1.11,-3.27,;2.65,-3.27,;3.42,-4.61,;3.42,-1.94,;4.96,-1.94,;5.73,-3.27,;7.27,-3.27,;8.04,-1.94,;7.27,-.61,;5.73,-.61,;8.04,.73,;7.27,2.06,;9.58,.73,;10.35,2.06,;9.58,3.4,;9.58,4.94,;8.24,4.17,;10.35,-.61,;9.58,-1.94,;11.89,-.61,;11.44,-1.69,;.12,-1.86,;.12,-.32,;-1.22,.45,;-1.22,1.99,;-1.22,-2.63,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.23,3.85,;-5.56,3.08,;-6.9,3.85,;-8.23,3.08,;-8.23,1.54,;-6.9,.77,;-5.56,1.54,;-4.23,.77,;-4.23,-.77,;-5.56,-1.54,;-5.56,-3.08,;-4.23,-3.85,;-2.9,-3.08,;-1.41,-3.48,;-.57,-2.19,;.97,-2.19,;1.74,-3.52,;1.74,-.85,;3.28,-.85,;4.19,-2.1,;5.65,-1.62,;5.65,-.08,;4.19,.39,;6.9,.82,;6.9,2.36,;8.23,.05,;8.23,-1.49,;-1.56,-.77,;-1.56,.77,;-2.9,1.54,;-2.9,3.08,;-2.9,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NCC(=O)N4CCOCC4)c([nH]c1=O)c23 |(-2.03,5.18,;-3.12,4.09,;-4.45,4.86,;-5.78,4.09,;-7.12,4.86,;-8.45,4.09,;-9.78,4.86,;-11.12,4.09,;-11.12,2.55,;-9.78,1.78,;-8.45,2.55,;-5.78,2.55,;-4.45,1.78,;-3.12,2.55,;-1.78,1.78,;-1.78,.24,;-3.12,-.53,;-3.12,-2.07,;-1.78,-2.84,;-.45,-2.07,;1.04,-2.47,;1.88,-1.18,;3.42,-1.18,;4.19,.16,;4.19,-2.51,;5.73,-2.51,;6.5,-3.84,;5.73,-5.18,;8.04,-3.84,;8.81,-5.18,;10.35,-5.18,;11.12,-3.84,;10.35,-2.51,;8.81,-2.51,;.89,.24,;.89,1.78,;-.45,2.55,;-.45,4.09,;-.45,-.53,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c(C)cc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(9.96,-3.52,;9.19,-2.19,;9.96,-.85,;9.19,.48,;7.65,.48,;6.88,-.85,;7.65,-2.19,;5.34,-.85,;4.57,-2.19,;5.34,-3.52,;3.03,-2.19,;2.19,-3.48,;.71,-3.08,;-.63,-3.85,;-1.96,-3.08,;-1.96,-1.54,;-.63,-.77,;-.63,.77,;-1.96,1.54,;-1.96,3.08,;-.63,3.85,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-3.29,-.77,;.71,1.54,;.71,3.08,;2.04,.77,;2.04,-.77,;.71,-1.54,)|
CCN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(C)C)cc4C)c(=O)[nH]c1c23 |r,wU:6.8,(9.19,-.17,;9.96,-1.51,;9.19,-2.84,;9.96,-4.17,;9.19,-5.51,;7.65,-5.51,;6.88,-4.17,;7.65,-2.84,;5.34,-4.17,;4.57,-2.84,;5.34,-1.51,;3.03,-2.84,;2.19,-4.13,;.71,-3.73,;-.63,-4.5,;-1.96,-3.73,;-1.96,-2.19,;-.63,-1.42,;-.63,.12,;-1.96,.89,;-3.29,.12,;-4.63,.89,;-4.63,2.43,;-5.96,3.2,;-7.3,2.43,;-7.3,.89,;-8.63,.12,;-9.96,.89,;-9.96,2.43,;-8.63,3.2,;-8.63,4.74,;-7.3,5.51,;-9.96,5.51,;-3.29,3.2,;-1.96,2.43,;-.87,3.52,;.71,.89,;.71,2.43,;2.04,.12,;2.04,-1.42,;.71,-2.19,)|
Clc1ccc2OCOc2c1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.22,(-3.88,4.35,;-5.21,3.58,;-6.54,4.35,;-7.88,3.58,;-7.88,2.04,;-9.02,1.01,;-8.4,-.4,;-6.86,-.23,;-6.54,1.27,;-5.21,2.04,;-3.88,1.27,;-3.88,-.27,;-5.21,-1.04,;-5.21,-2.58,;-3.88,-3.35,;-2.54,-2.58,;-1.06,-2.98,;-.22,-1.68,;1.32,-1.68,;2.09,-3.02,;2.09,-.35,;3.63,-.35,;4.4,.98,;5.94,.98,;6.71,-.35,;5.94,-1.68,;4.4,-1.68,;6.71,-3.02,;5.94,-4.35,;8.25,-3.02,;9.02,-4.35,;-1.21,-.27,;-1.21,1.27,;-2.54,2.04,;-2.54,3.58,;-2.54,-1.04,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.4,1.81,;8.63,.48,;9.4,-.85,;8.63,-2.19,;7.09,-2.19,;6.32,-.85,;7.09,.48,;4.78,-.85,;4.01,-2.19,;4.78,-3.52,;2.47,-2.19,;1.63,-3.48,;.14,-3.08,;-1.19,-3.85,;-2.52,-3.08,;-2.52,-1.54,;-1.19,-.77,;-1.19,.77,;-2.52,1.54,;-3.86,.77,;-5.19,1.54,;-5.19,3.08,;-6.53,3.85,;-7.86,3.08,;-9.4,3.08,;-8.63,1.75,;-3.86,3.85,;-2.52,3.08,;-1.19,3.85,;.14,1.54,;.14,3.08,;1.48,.77,;1.48,-.77,;.14,-1.54,)|
FC(F)(F)c1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:28.29,(-2.93,6.16,;-2.16,4.83,;-.67,5.23,;-1.76,6.32,;-2.93,3.5,;-4.27,4.27,;-5.6,3.5,;-6.93,4.27,;-8.27,3.5,;-9.6,4.27,;-10.93,3.5,;-10.93,1.96,;-9.6,1.19,;-8.27,1.96,;-5.6,1.96,;-4.27,1.19,;-2.93,1.96,;-1.6,1.19,;-1.6,-.35,;-2.93,-1.12,;-2.93,-2.66,;-1.6,-3.43,;-.26,-2.66,;1.22,-3.06,;2.06,-1.77,;3.6,-1.77,;4.37,-.44,;4.37,-3.1,;5.91,-3.1,;6.82,-1.86,;8.28,-2.33,;8.28,-3.87,;6.82,-4.35,;9.53,-4.78,;9.53,-6.32,;10.93,-4.15,;10.93,-2.61,;1.07,-.35,;1.07,1.19,;-.26,1.96,;-.26,3.5,;-.26,-1.12,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5C(N)=O)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-1.51,;9.19,-2.84,;9.96,-4.17,;9.19,-5.51,;7.65,-5.51,;6.88,-4.17,;7.65,-2.84,;5.34,-4.17,;4.57,-2.84,;5.34,-1.51,;3.03,-2.84,;2.19,-4.13,;.71,-3.73,;-.63,-4.5,;-1.96,-3.73,;-1.96,-2.19,;-.63,-1.42,;-.63,.12,;-1.96,.89,;-3.29,.12,;-4.63,.89,;-4.63,2.43,;-5.96,3.2,;-7.3,2.43,;-7.3,.89,;-8.63,.12,;-9.96,.89,;-9.96,2.43,;-8.63,3.2,;-8.63,4.74,;-9.96,5.51,;-7.3,5.51,;-3.29,3.2,;-1.96,2.43,;-.63,3.2,;.71,.89,;.71,2.43,;2.04,.12,;2.04,-1.42,;.71,-2.19,)|
Cc1cnc2sc(C(=O)N[C@@H]3CCCNC3)c3[nH]c(=O)n(-c4ccc(Oc5ccccc5)cc4)c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wD:25.26,(-1.01,4.35,;-2.35,3.58,;-3.68,4.35,;-5.01,3.58,;-6.35,4.35,;-7.68,3.58,;-9.01,4.35,;-10.35,3.58,;-10.35,2.04,;-9.01,1.27,;-7.68,2.04,;-5.01,2.04,;-3.68,1.27,;-2.35,2.04,;-1.01,1.27,;-1.01,-.27,;-2.35,-1.04,;-2.35,-2.58,;-1.01,-3.35,;.32,-2.58,;1.81,-2.98,;2.65,-1.68,;4.19,-1.68,;4.96,-3.02,;4.96,-.35,;6.5,-.35,;7.27,.98,;8.81,.98,;9.58,-.35,;8.81,-1.68,;7.27,-1.68,;9.58,-3.02,;10.35,-4.35,;1.66,-.27,;1.66,1.27,;.32,2.04,;.32,3.58,;.32,-1.04,)|
Clc1cc(Cl)cc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN([C@@H]1CCNC1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(4.93,-4.35,;5.7,-3.02,;7.24,-3.02,;8.14,-1.77,;9.61,-2.25,;9.61,-3.79,;8.14,-4.26,;4.93,-1.68,;5.7,-.35,;3.39,-1.68,;2.55,-2.98,;1.06,-2.58,;-.27,-3.35,;-1.61,-2.58,;-1.61,-1.04,;-.27,-.27,;-.27,1.27,;-1.61,2.04,;-2.94,1.27,;-4.27,2.04,;-4.27,3.58,;-5.61,4.35,;-6.94,3.58,;-8.27,4.35,;-9.61,3.58,;-9.61,2.04,;-8.27,1.27,;-6.94,2.04,;-2.94,4.35,;-1.61,3.58,;-.27,4.35,;1.06,2.04,;1.06,3.58,;2.4,1.27,;2.4,-.27,;1.06,-1.04,)|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:22.22,(-7.96,1.54,;-7.96,3.08,;-9.3,3.85,;-6.63,3.85,;-5.29,3.08,;-5.29,1.54,;-3.96,.77,;-2.63,1.54,;-2.63,3.08,;-1.29,3.85,;-3.96,3.85,;-1.29,.77,;-1.29,-.77,;-2.63,-1.54,;-2.63,-3.08,;-1.29,-3.85,;.04,-3.08,;1.53,-3.48,;2.37,-2.19,;3.91,-2.19,;4.68,-3.52,;4.68,-.85,;6.22,-.85,;6.99,-2.19,;8.53,-2.19,;9.3,-.85,;8.53,.48,;9.3,1.81,;6.99,.48,;1.37,-.77,;1.37,.77,;.04,1.54,;.04,3.08,;.04,-1.54,)|
CCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:21.21,(-9.3,4.35,;-7.96,3.58,;-6.63,4.35,;-5.29,3.58,;-5.29,2.04,;-3.96,1.27,;-2.63,2.04,;-2.63,3.58,;-1.29,4.35,;-3.96,4.35,;-1.29,1.27,;-1.29,-.27,;-2.63,-1.04,;-2.63,-2.58,;-1.29,-3.35,;.04,-2.58,;1.53,-2.98,;2.37,-1.68,;3.91,-1.68,;4.68,-.35,;4.68,-3.02,;6.22,-3.02,;6.99,-4.35,;8.53,-4.35,;9.3,-3.02,;8.53,-1.68,;9.3,-.35,;6.99,-1.68,;1.37,-.27,;1.37,1.27,;.04,2.04,;.04,3.58,;.04,-1.04,)|
CC(C)(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Clc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CN([C@@H]1CCN(C)C1)C(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:2.1,(4.31,-4.18,;5.08,-2.85,;6.62,-2.85,;7.52,-1.6,;8.98,-2.08,;8.98,-3.62,;10.23,-4.52,;7.52,-4.09,;4.3,-1.51,;5.08,-.18,;2.76,-1.51,;1.93,-2.81,;.44,-2.41,;-.89,-3.18,;-2.23,-2.41,;-2.23,-.87,;-.89,-.1,;-.89,1.44,;-2.23,2.21,;-3.56,1.44,;-4.9,2.21,;-4.9,3.75,;-6.23,4.52,;-7.56,3.75,;-8.9,4.52,;-10.23,3.75,;-10.23,2.21,;-8.9,1.44,;-7.56,2.21,;-3.56,4.52,;-2.23,3.75,;-.89,4.52,;.44,2.21,;.44,3.75,;1.77,1.44,;1.77,-.1,;.44,-.87,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wU:20.20,(-8.63,3.08,;-7.3,3.85,;-5.96,3.08,;-5.96,1.54,;-4.63,.77,;-3.29,1.54,;-3.29,3.08,;-1.96,3.85,;-4.63,3.85,;-1.96,.77,;-1.96,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.96,-3.85,;-.63,-3.08,;.86,-3.48,;1.7,-2.19,;3.24,-2.19,;4.01,-3.52,;4.01,-.85,;5.55,-.85,;6.32,-2.19,;7.86,-2.19,;8.63,-.85,;7.86,.48,;8.63,1.81,;6.32,.48,;.71,-.77,;.71,.77,;-.63,1.54,;-.63,3.08,;-.63,-1.54,)|
FC(F)(F)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
COc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.68,;5.34,-.35,;3.03,-1.68,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Clc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
FC(F)(F)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccccc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C(F)(F)F)c(=O)[nH]c1c23 |r,wD:5.7,(10.16,-5.77,;9.39,-4.44,;10.16,-3.1,;9.39,-1.77,;7.85,-1.77,;7.08,-3.1,;7.85,-4.44,;5.54,-3.1,;4.77,-1.77,;5.54,-.44,;3.23,-1.77,;1.85,-3.47,;.51,-2.7,;-.82,-3.47,;-2.16,-2.7,;-2.16,-1.16,;-.82,-.39,;-.82,1.15,;-2.16,1.92,;-3.49,1.15,;-4.82,1.92,;-4.82,3.46,;-6.16,4.23,;-7.49,3.46,;-8.82,4.23,;-10.16,3.46,;-10.16,1.92,;-8.82,1.15,;-7.49,1.92,;-3.49,4.23,;-2.16,3.46,;-.82,4.23,;-.82,5.77,;.27,5.32,;.72,4.23,;.51,1.92,;.51,3.46,;1.85,1.15,;1.85,-.39,;.51,-1.16,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4nnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:5.7,(10.16,-3.49,;9.39,-2.15,;10.16,-.82,;9.39,.51,;7.85,.51,;7.08,-.82,;7.85,-2.15,;5.54,-.82,;4.77,-2.15,;5.54,-3.49,;3.23,-2.15,;1.85,-3.85,;.51,-3.08,;-.82,-3.85,;-2.16,-3.08,;-2.16,-1.54,;-.82,-.77,;-.82,.77,;-2.16,1.54,;-3.49,.77,;-4.82,1.54,;-4.82,3.08,;-6.16,3.85,;-7.49,3.08,;-8.82,3.85,;-10.16,3.08,;-10.16,1.54,;-8.82,.77,;-7.49,1.54,;-3.49,3.85,;-2.16,3.08,;-.82,3.85,;.51,1.54,;.51,3.08,;1.85,.77,;1.85,-.77,;.51,-1.54,)|
Cc1cc(Oc2ccccc2)nnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.8,4.29,;-3.13,3.52,;-4.47,4.29,;-5.8,3.52,;-7.14,4.29,;-8.47,3.52,;-9.8,4.29,;-11.14,3.52,;-11.14,1.98,;-9.8,1.21,;-8.47,1.98,;-5.8,1.98,;-4.47,1.21,;-3.13,1.98,;-1.8,1.21,;-1.8,-.33,;-3.13,-1.1,;-3.13,-2.64,;-1.8,-3.41,;-.47,-2.64,;.87,-3.41,;2.25,-1.71,;3.79,-1.71,;4.56,-.38,;4.56,-3.05,;6.1,-3.05,;7,-4.29,;8.47,-3.82,;8.47,-2.28,;7,-1.8,;9.8,-1.51,;9.8,.03,;11.14,-2.28,;11.14,-3.82,;.87,-.33,;.87,1.21,;-.47,1.98,;-.47,3.52,;-.47,-1.1,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccccc4C)c(=O)[nH]c1c23 |r,wU:5.7,(7.49,1.85,;6.72,.51,;7.49,-.82,;6.72,-2.15,;5.18,-2.15,;4.41,-.82,;5.18,.51,;2.87,-.82,;2.1,-2.15,;2.87,-3.49,;.56,-2.15,;-.82,-3.85,;-2.16,-3.08,;-3.49,-3.85,;-4.82,-3.08,;-4.82,-1.54,;-3.49,-.77,;-3.49,.77,;-4.82,1.54,;-6.16,.77,;-7.49,1.54,;-7.49,3.08,;-6.16,3.85,;-4.82,3.08,;-3.49,3.85,;-2.16,1.54,;-2.16,3.08,;-.82,.77,;-.82,-.77,;-2.16,-1.54,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4c5OCOc5ccc4Cl)c(=O)[nH]c1c23 |r,wU:5.7,(7.49,-1.17,;6.72,-2.5,;7.49,-3.84,;6.72,-5.17,;5.18,-5.17,;4.41,-3.84,;5.18,-2.5,;2.87,-3.84,;2.1,-2.5,;2.87,-1.17,;.56,-2.5,;-.82,-4.2,;-2.16,-3.43,;-3.49,-4.2,;-4.82,-3.43,;-4.82,-1.89,;-3.49,-1.12,;-3.49,.42,;-4.82,1.19,;-4.82,2.73,;-3.68,3.76,;-4.31,5.17,;-5.84,5.01,;-6.16,3.5,;-7.49,2.73,;-7.49,1.19,;-6.16,.42,;-6.16,-1.12,;-2.16,1.19,;-2.16,2.73,;-.82,.42,;-.82,-1.12,;-2.16,-1.89,)|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccncc5)cc4C)c(=O)[nH]c1c23 |r,wU:5.7,(10.16,-.33,;9.39,-1.67,;10.16,-3,;9.39,-4.33,;7.85,-4.33,;7.08,-3,;7.85,-1.67,;5.54,-3,;4.77,-1.67,;5.54,-.33,;3.23,-1.67,;1.85,-3.37,;.51,-2.6,;-.82,-3.37,;-2.16,-2.6,;-2.16,-1.05,;-.82,-.29,;-.82,1.25,;-2.16,2.03,;-3.49,1.25,;-4.82,2.03,;-4.82,3.57,;-6.16,4.33,;-7.49,3.57,;-8.82,4.33,;-10.16,3.57,;-10.16,2.03,;-8.82,1.25,;-7.49,2.03,;-3.49,4.33,;-2.16,3.57,;-.82,4.33,;.51,2.03,;.51,3.57,;1.85,1.25,;1.85,-.29,;.51,-1.05,)|
CN(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1ncccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:18.18,(-4.64,3.85,;-5.98,3.08,;-7.31,3.85,;-8.65,3.08,;-8.65,1.54,;-7.31,.77,;-5.98,1.54,;-4.64,.77,;-4.64,-.77,;-5.98,-1.54,;-5.98,-3.08,;-4.64,-3.85,;-3.31,-3.08,;-1.98,-3.85,;-.59,-2.15,;.95,-2.15,;1.72,-3.49,;1.72,-.82,;3.26,-.82,;4.03,-2.15,;5.57,-2.15,;6.34,-.82,;5.57,.51,;4.03,.51,;6.34,1.85,;5.57,3.18,;7.88,1.85,;8.65,3.18,;-1.98,-.77,;-1.98,.77,;-3.31,1.54,;-3.31,3.08,;-3.31,-1.54,)|
Cc1ncccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:18.18,(-3.49,3.85,;-4.82,3.08,;-6.16,3.85,;-7.49,3.08,;-7.49,1.54,;-6.16,.77,;-4.82,1.54,;-3.49,.77,;-3.49,-.77,;-4.82,-1.54,;-4.82,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.82,-3.85,;.56,-2.15,;2.1,-2.15,;2.87,-3.49,;2.87,-.82,;4.41,-.82,;5.18,-2.15,;6.72,-2.15,;7.49,-.82,;6.72,.51,;5.18,.51,;-.82,-.77,;-.82,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
Clc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
FC(F)(F)c1cc(ccc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
COC(C)(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(12.3,-5.08,;11.53,-3.75,;9.99,-3.75,;10.76,-2.41,;9.21,-5.08,;9.21,-2.41,;7.67,-2.41,;6.9,-3.75,;6.9,-1.08,;7.67,.25,;6.9,1.59,;5.36,1.59,;4.59,.25,;5.36,-1.08,;3.05,.25,;2.28,-1.08,;3.05,-2.41,;.74,-1.08,;-.16,-2.32,;-1.63,-1.85,;-2.96,-2.62,;-4.29,-1.85,;-4.29,-.31,;-2.96,.46,;-2.96,2,;-4.29,2.77,;-5.63,2,;-6.96,2.77,;-6.96,4.31,;-8.29,5.08,;-9.63,4.31,;-10.96,5.08,;-12.3,4.31,;-12.3,2.77,;-10.96,2,;-9.63,2.77,;-5.63,5.08,;-4.29,4.31,;-2.96,5.08,;-1.63,2.77,;-1.63,4.31,;-.29,2,;-.29,.46,;-1.63,-.31,)|
CC(=O)N\C=C/C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(11.91,.92,;10.37,.92,;9.6,2.26,;9.6,-.41,;10.37,-1.75,;9.6,-3.08,;8.06,-3.08,;7.29,-4.41,;7.29,-1.75,;8.06,-.41,;7.29,.92,;5.75,.92,;4.98,-.41,;5.75,-1.75,;3.44,-.41,;2.67,-1.75,;3.44,-3.08,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.58,2.1,;-6.58,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(Cl)=C)c([nH]c1=O)c23 |r,wU:25.26,(-.88,2.76,;-2.37,2.36,;-3.46,3.45,;-4.94,3.05,;-6.03,4.14,;-7.52,3.74,;-7.92,2.26,;-9.41,1.86,;-10.5,2.95,;-10.1,4.43,;-8.61,4.83,;-5.34,1.57,;-4.25,.48,;-2.77,.88,;-1.68,-.21,;-1.68,-1.75,;-3.01,-2.52,;-3.01,-4.06,;-1.68,-4.83,;-.34,-4.06,;1.12,-4.54,;2.03,-3.29,;3.57,-3.29,;4.34,-4.63,;4.34,-1.96,;5.88,-1.96,;6.65,-3.29,;8.19,-3.29,;8.96,-1.96,;8.19,-.63,;6.65,-.63,;8.96,.71,;10.5,.71,;8.19,2.04,;8.96,3.38,;6.65,2.04,;.99,-1.75,;.99,-.21,;-.34,.56,;-.34,2.1,;-.34,-2.52,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.95,5.77,;-4.28,5,;-5.61,5.77,;-6.95,5,;-8.28,5.77,;-9.61,5,;-9.61,3.46,;-10.95,2.69,;-12.28,3.46,;-12.28,5,;-10.95,5.77,;-6.95,3.46,;-5.61,2.69,;-4.28,3.46,;-2.95,2.69,;-2.95,1.15,;-4.28,.38,;-4.28,-1.16,;-2.95,-1.93,;-1.61,-1.16,;-.15,-1.64,;.76,-.39,;2.3,-.42,;3.09,.9,;3.04,-1.77,;4.58,-1.77,;5.35,-.43,;6.89,-.43,;7.66,-1.77,;6.89,-3.1,;5.35,-3.1,;7.66,-4.43,;6.89,-5.77,;9.2,-4.43,;9.97,-3.1,;11.51,-3.1,;12.28,-1.77,;-.28,1.15,;-.28,2.69,;-1.61,3.46,;-1.61,5,;-1.61,.38,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(12.28,1.62,;10.95,.85,;9.62,1.62,;10.95,-.69,;9.62,-1.46,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.32,5.18,;-3.61,4.43,;-4.95,5.2,;-6.28,4.43,;-7.62,5.2,;-8.95,4.43,;-10.28,5.2,;-11.62,4.43,;-11.62,2.89,;-10.28,2.12,;-8.95,2.89,;-6.28,2.89,;-4.95,2.12,;-3.62,2.89,;-2.28,2.12,;-2.28,.58,;-3.62,-.19,;-3.62,-1.73,;-2.28,-2.5,;-.95,-1.73,;.52,-2.2,;1.42,-.96,;2.96,-.98,;3.75,.34,;3.71,-2.33,;5.25,-2.33,;6.15,-1.08,;7.62,-1.56,;7.62,-3.1,;6.15,-3.58,;8.95,-3.87,;9.72,-2.54,;8.18,-5.2,;10.28,-4.64,;11.62,-3.87,;.39,.58,;.39,2.12,;-.95,2.89,;-.95,4.43,;-.95,-.19,)|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(13.06,-1.75,;11.52,-1.75,;10.75,-.41,;10.75,-3.08,;9.21,-3.08,;8.44,-4.41,;6.9,-4.41,;6.13,-5.75,;6.13,-3.08,;6.9,-1.75,;6.13,-.41,;4.59,-.41,;3.82,-1.75,;4.59,-3.08,;2.28,-1.75,;1.51,-.41,;2.28,.92,;-.03,-.41,;-.93,-1.66,;-2.4,-1.18,;-3.73,-1.95,;-5.06,-1.18,;-5.06,.36,;-3.73,1.13,;-3.73,2.67,;-5.06,3.44,;-6.4,2.67,;-7.73,3.44,;-7.73,4.98,;-9.06,5.75,;-10.4,4.98,;-11.73,5.75,;-13.06,4.98,;-13.06,3.44,;-11.73,2.67,;-10.4,3.44,;-6.4,5.75,;-5.06,4.98,;-3.73,5.75,;-2.4,3.44,;-2.4,4.98,;-1.06,2.67,;-1.06,1.13,;-2.4,.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,5.75,;-3.14,4.98,;-4.47,5.75,;-5.81,4.98,;-7.14,5.75,;-8.47,4.98,;-9.81,5.75,;-11.14,4.98,;-11.14,3.44,;-9.81,2.67,;-8.47,3.44,;-5.81,3.44,;-4.47,2.67,;-3.14,3.44,;-1.8,2.67,;-1.8,1.13,;-3.14,.36,;-3.14,-1.18,;-1.8,-1.95,;-.47,-1.18,;.99,-1.66,;1.9,-.41,;3.44,-.41,;4.21,.92,;4.21,-1.75,;5.75,-1.75,;6.52,-.41,;8.06,-.41,;8.83,-1.75,;8.06,-3.08,;6.52,-3.08,;8.83,-4.41,;10.16,-3.64,;7.5,-5.18,;9.6,-5.75,;11.14,-5.75,;.86,1.13,;.86,2.67,;-.47,3.44,;-.47,4.98,;-.47,.36,)|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-3.73,4.41,;-5.06,3.64,;-6.4,4.41,;-7.73,3.64,;-9.06,4.41,;-10.4,3.64,;-11.73,4.41,;-13.06,3.64,;-13.06,2.1,;-11.73,1.33,;-10.4,2.1,;-7.73,2.1,;-6.4,1.33,;-5.06,2.1,;-3.73,1.33,;-3.73,-.21,;-5.06,-.98,;-5.06,-2.52,;-3.73,-3.29,;-2.4,-2.52,;-.93,-2.99,;-.03,-1.75,;1.51,-1.75,;2.28,-3.08,;2.28,-.41,;3.82,-.41,;4.59,.92,;6.13,.92,;6.9,-.41,;6.13,-1.75,;4.59,-1.75,;6.9,-3.08,;6.13,-4.41,;8.44,-3.08,;9.21,-1.75,;10.75,-1.75,;11.52,-.41,;13.06,-.41,;10.75,.92,;12.29,.92,;-1.06,-.21,;-1.06,1.33,;-2.4,2.1,;-2.4,3.64,;-2.4,-.98,)|
CNC\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(12.28,1.62,;10.95,.85,;10.95,-.69,;9.62,-1.46,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.26,5.32,;-3.62,4.53,;-4.95,5.3,;-6.28,4.53,;-7.62,5.3,;-8.95,4.53,;-10.28,5.3,;-11.62,4.53,;-11.62,2.99,;-10.28,2.22,;-8.95,2.99,;-6.28,2.99,;-4.95,2.22,;-3.62,2.99,;-2.28,2.22,;-2.28,.68,;-3.62,-.09,;-3.62,-1.63,;-2.28,-2.4,;-.95,-1.63,;.52,-2.11,;1.42,-.86,;2.96,-.89,;3.76,.43,;3.71,-2.24,;5.25,-2.24,;6.15,-.99,;7.62,-1.47,;7.62,-3.01,;6.15,-3.48,;8.95,-3.78,;8.95,-5.32,;10.28,-3.01,;10.28,-1.47,;11.62,-.7,;11.62,.84,;.39,.68,;.39,2.22,;-.95,2.99,;-.95,4.53,;-.95,-.09,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CNS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-4.5,4.41,;-5.83,3.64,;-7.17,4.41,;-8.5,3.64,;-9.83,4.41,;-11.17,3.64,;-12.5,4.41,;-13.84,3.64,;-13.84,2.1,;-12.5,1.33,;-11.17,2.1,;-8.5,2.1,;-7.17,1.33,;-5.83,2.1,;-4.5,1.33,;-4.5,-.21,;-5.83,-.98,;-5.83,-2.52,;-4.5,-3.29,;-3.17,-2.52,;-1.7,-2.99,;-.8,-1.75,;.74,-1.75,;1.51,-3.08,;1.51,-.41,;3.05,-.41,;3.82,.92,;5.36,.92,;6.14,-.41,;5.36,-1.75,;3.82,-1.75,;6.14,-3.08,;5.36,-4.41,;7.68,-3.08,;8.45,-1.75,;9.99,-1.75,;10.76,-.41,;12.3,-.41,;13.07,.92,;13.84,-.41,;12.3,-1.95,;-1.83,-.21,;-1.83,1.33,;-3.17,2.1,;-3.17,3.64,;-3.17,-.98,)|
CN(C)CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(10.95,-5.31,;10.95,-3.77,;12.28,-3,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
C\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,(11.91,-1.08,;10.37,-1.08,;9.6,-2.41,;10.37,-3.75,;11.14,-5.08,;8.06,-2.41,;7.29,-3.75,;7.29,-1.08,;8.06,.25,;7.29,1.59,;5.75,1.59,;4.98,.25,;5.75,-1.08,;3.44,.25,;2.67,-1.08,;3.44,-2.41,;1.13,-1.08,;.22,-2.32,;-1.24,-1.85,;-2.58,-2.62,;-3.91,-1.85,;-3.91,-.31,;-2.58,.46,;-2.58,2,;-3.91,2.77,;-5.24,2,;-6.58,2.77,;-6.58,4.31,;-7.91,5.08,;-9.24,4.31,;-10.58,5.08,;-11.91,4.31,;-11.91,2.77,;-10.58,2,;-9.24,2.77,;-5.24,5.08,;-3.91,4.31,;-2.58,5.08,;-1.24,2.77,;-1.24,4.31,;.09,2,;.09,.46,;-1.24,-.31,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@@H]4CCN4)c([nH]c1=O)c23 |r,wD:25.26,33.35,(-2.51,4.41,;-3.84,3.64,;-5.18,4.41,;-6.51,3.64,;-7.84,4.41,;-9.18,3.64,;-10.51,4.41,;-11.84,3.64,;-11.84,2.1,;-10.51,1.33,;-9.18,2.1,;-6.51,2.1,;-5.18,1.33,;-3.84,2.1,;-2.51,1.33,;-2.51,-.21,;-3.84,-.98,;-3.84,-2.52,;-2.51,-3.29,;-1.18,-2.52,;.29,-2.99,;1.19,-1.75,;2.73,-1.75,;3.5,-3.08,;3.5,-.41,;5.05,-.41,;5.82,.92,;7.36,.92,;8.13,-.41,;7.36,-1.75,;5.82,-1.75,;8.13,-3.08,;7.36,-4.41,;9.67,-3.08,;10.75,-1.99,;11.84,-3.08,;10.75,-4.17,;.16,-.21,;.16,1.33,;-1.18,2.1,;-1.18,3.64,;-1.18,-.98,)|
CNC\C=C(/F)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.14,(13.05,-1.77,;11.51,-1.77,;10.74,-3.1,;9.2,-3.1,;8.43,-4.43,;9.2,-5.77,;6.89,-4.43,;6.12,-5.77,;6.12,-3.1,;6.89,-1.77,;6.12,-.43,;4.58,-.43,;3.81,-1.77,;4.58,-3.1,;2.27,-1.77,;1.53,-.42,;2.32,.9,;-.01,-.39,;-.92,-1.64,;-2.38,-1.16,;-3.72,-1.93,;-5.05,-1.16,;-5.05,.38,;-3.72,1.15,;-3.72,2.69,;-5.05,3.46,;-6.38,2.69,;-7.72,3.46,;-7.72,5,;-9.05,5.77,;-10.39,5,;-10.39,3.46,;-11.72,2.69,;-13.05,3.46,;-13.05,5,;-11.72,5.77,;-6.38,5.77,;-5.05,5,;-3.72,5.77,;-2.38,3.46,;-2.38,5,;-1.05,2.69,;-1.05,1.15,;-2.38,.38,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.59,3.02,;-3.92,2.25,;-5.26,3.02,;-6.59,2.25,;-7.92,3.02,;-9.26,2.25,;-10.59,3.02,;-11.92,2.25,;-11.92,.71,;-10.59,-.06,;-9.26,.71,;-6.59,.71,;-5.26,-.06,;-3.92,.71,;-2.59,-.06,;-2.59,-1.6,;-3.92,-2.37,;-3.92,-3.91,;-2.59,-4.68,;-1.26,-3.91,;.21,-4.39,;1.11,-3.14,;2.65,-3.14,;3.42,-4.48,;3.42,-1.81,;4.96,-1.81,;5.73,-3.14,;7.28,-3.14,;8.05,-1.81,;7.28,-.47,;5.73,-.47,;8.05,.86,;7.28,2.19,;9.59,.86,;10.36,2.19,;11.84,2.59,;11.92,4.13,;10.49,4.68,;9.52,3.49,;.08,-1.6,;.08,-.06,;-1.26,.71,;-1.26,2.25,;-1.26,-2.37,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(CN[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.8,5.75,;-3.14,4.98,;-4.47,5.75,;-5.81,4.98,;-7.14,5.75,;-8.47,4.98,;-9.81,5.75,;-11.14,4.98,;-11.14,3.44,;-9.81,2.67,;-8.47,3.44,;-5.81,3.44,;-4.47,2.67,;-3.14,3.44,;-1.8,2.67,;-1.8,1.13,;-3.14,.36,;-3.14,-1.18,;-1.8,-1.95,;-.47,-1.18,;.99,-1.66,;1.9,-.41,;3.44,-.41,;4.21,-1.75,;5.75,-1.75,;6.52,-.41,;8.06,-.41,;8.83,-1.75,;8.06,-3.08,;6.52,-3.08,;8.83,-4.41,;8.06,-5.75,;10.37,-4.41,;11.14,-3.08,;.86,1.13,;.86,2.67,;-.47,3.44,;-.47,4.98,;-.47,.36,)|
CNCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,(11.96,.15,;10.47,.55,;9.38,-.54,;7.9,-.14,;7.5,1.35,;6.81,-1.23,;6.81,-2.77,;5.34,-3.25,;4.44,-2,;5.34,-.76,;2.9,-2,;2.1,-3.32,;2.85,-4.67,;.56,-3.29,;-.34,-4.54,;-1.81,-4.06,;-3.14,-4.83,;-4.47,-4.06,;-4.47,-2.52,;-3.14,-1.75,;-3.14,-.21,;-4.23,.88,;-5.72,.48,;-6.81,1.57,;-6.41,3.05,;-7.5,4.14,;-8.98,3.74,;-10.07,4.83,;-11.56,4.43,;-11.96,2.95,;-10.87,1.86,;-9.38,2.26,;-4.92,3.45,;-3.83,2.36,;-2.34,2.76,;-1.81,.56,;-1.81,2.1,;-.47,-.21,;-.47,-1.75,;-1.81,-2.52,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CN)c([nH]c1=O)c23 |r,wD:25.26,(-4.23,-1.39,;-4.66,.32,;-6.16,.67,;-6.6,2.14,;-8.1,2.49,;-9.16,1.37,;-10.66,1.72,;-11.71,.59,;-11.26,-.88,;-9.76,-1.23,;-8.71,-.1,;-5.55,3.27,;-4.05,2.92,;-3.6,1.44,;-2.1,1.1,;-1.98,-.44,;-3.24,-1.32,;-3.11,-2.85,;-1.72,-3.51,;-.14,-2.57,;1.4,-2.6,;1.91,-1.15,;3.38,-.68,;4.52,-1.72,;3.7,.83,;5.17,1.29,;5.65,2.76,;7.19,2.75,;7.66,1.28,;6.41,.38,;9.17,.95,;9.64,-.51,;10.2,2.09,;11.71,1.76,;.68,-.22,;.55,1.32,;-.84,1.97,;-.97,3.51,;-.58,-1.1,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,2.93,;-4.29,2.16,;-5.63,2.93,;-6.96,2.16,;-8.29,2.93,;-9.63,2.16,;-10.96,2.93,;-12.29,2.16,;-12.29,.62,;-10.96,-.15,;-9.63,.62,;-6.96,.62,;-5.63,-.15,;-4.29,.62,;-2.96,-.15,;-2.96,-1.69,;-4.29,-2.46,;-4.29,-4,;-2.96,-4.77,;-1.63,-4,;-.16,-4.48,;.74,-3.23,;2.28,-3.23,;3.05,-4.56,;3.05,-1.9,;4.59,-1.9,;5.36,-3.23,;6.9,-3.23,;7.67,-1.9,;6.9,-.56,;5.36,-.56,;7.67,.77,;6.9,2.1,;9.21,.77,;9.98,2.1,;11.52,2.1,;12.29,3.44,;11.52,4.77,;9.98,4.77,;9.21,3.44,;-.29,-1.69,;-.29,-.15,;-1.63,.62,;-1.63,2.16,;-1.63,-2.46,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.65,3.11,;-4.29,2.16,;-5.63,2.93,;-6.96,2.16,;-8.29,2.93,;-9.63,2.16,;-10.96,2.93,;-12.29,2.16,;-12.29,.62,;-10.96,-.15,;-9.63,.62,;-6.96,.62,;-5.63,-.15,;-4.29,.62,;-2.96,-.15,;-2.96,-1.69,;-4.29,-2.46,;-4.29,-4,;-2.96,-4.77,;-1.63,-4,;-.16,-4.48,;.74,-3.23,;2.28,-3.23,;3.05,-4.56,;3.05,-1.9,;4.59,-1.9,;5.36,-3.23,;6.9,-3.23,;7.67,-1.9,;6.9,-.56,;5.36,-.56,;7.67,.77,;6.9,2.1,;9.21,.77,;9.98,2.1,;11.52,2.1,;12.29,3.44,;11.52,4.77,;9.98,4.77,;9.21,3.44,;-.29,-1.69,;-.29,-.15,;-1.63,.62,;-1.63,2.16,;-1.63,-2.46,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCl)c([nH]c1=O)c23 |r,wD:25.26,(-1.99,4.04,;-3.63,3.09,;-4.96,3.86,;-6.3,3.09,;-7.63,3.86,;-8.96,3.09,;-10.3,3.86,;-11.63,3.09,;-11.63,1.55,;-10.3,.78,;-8.96,1.55,;-6.3,1.55,;-4.96,.78,;-3.63,1.55,;-2.29,.78,;-2.29,-.76,;-3.63,-1.53,;-3.63,-3.07,;-2.29,-3.84,;-.96,-3.07,;.5,-3.54,;1.41,-2.3,;2.95,-2.3,;3.72,-3.63,;3.72,-.96,;5.26,-.96,;6.16,.28,;7.63,-.19,;7.63,-1.73,;6.16,-2.21,;8.96,-2.5,;8.96,-4.04,;10.3,-1.73,;11.63,-2.5,;.37,-.76,;.37,.78,;-.96,1.55,;-.96,3.09,;-.96,-1.53,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CCl)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,4.41,;-3.14,3.64,;-4.47,4.41,;-5.81,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-5.81,2.1,;-4.47,1.33,;-3.14,2.1,;-1.8,1.33,;-1.8,-.21,;-3.14,-.98,;-3.14,-2.52,;-1.8,-3.29,;-.47,-2.52,;.99,-2.99,;1.9,-1.75,;3.44,-1.75,;4.21,-3.08,;4.21,-.41,;5.75,-.41,;6.52,.92,;8.06,.92,;8.83,-.41,;8.06,-1.75,;6.52,-1.75,;8.83,-3.08,;8.06,-4.41,;10.37,-3.08,;11.14,-1.75,;.86,-.21,;.86,1.33,;-.47,2.1,;-.47,3.64,;-.47,-.98,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4cccs4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.19,6.25,;-4.52,5.48,;-5.86,6.25,;-7.19,5.48,;-8.52,6.25,;-9.86,5.48,;-10.95,6.57,;-12.43,6.17,;-12.83,4.69,;-11.74,3.6,;-10.26,4,;-7.19,3.94,;-5.86,3.17,;-4.52,3.94,;-3.19,3.17,;-3.19,1.63,;-4.52,.86,;-4.52,-.68,;-3.19,-1.45,;-1.86,-.68,;-.39,-1.15,;.51,.09,;2.05,.09,;2.82,1.43,;2.82,-1.24,;4.36,-1.24,;5.13,.09,;6.67,.09,;7.44,-1.24,;6.67,-2.57,;5.13,-2.57,;7.44,-3.91,;6.67,-5.24,;8.98,-3.91,;9.75,-2.57,;11.29,-2.57,;12.06,-1.24,;12.06,-3.91,;12.83,-2.57,;9.75,-5.24,;10.52,-6.57,;-.52,1.63,;-.52,3.17,;-1.86,3.94,;-1.86,5.48,;-1.86,.86,)|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C\C(=C/C1CC1)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:12.15,(9.7,-5.82,;8.93,-4.49,;9.7,-3.15,;11.24,-3.15,;12.58,-3.92,;12.58,-2.38,;7.39,-4.49,;6.62,-5.82,;6.62,-3.15,;7.39,-1.82,;6.62,-.48,;5.08,-.48,;4.31,-1.82,;5.08,-3.15,;2.77,-1.82,;2,-.48,;2.77,.85,;.46,-.48,;-.44,-1.73,;-1.91,-1.25,;-3.24,-2.02,;-4.57,-1.25,;-4.57,.29,;-3.24,1.06,;-3.24,2.6,;-4.57,3.37,;-5.91,2.6,;-7.24,3.37,;-7.24,4.91,;-8.58,5.68,;-9.91,4.91,;-11.24,5.68,;-12.58,4.91,;-12.58,3.37,;-11.24,2.6,;-9.91,3.37,;-5.91,5.68,;-4.57,4.91,;-2.99,5.82,;-1.91,3.37,;-1.91,4.91,;-.57,2.6,;-.57,1.06,;-1.91,.29,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\Cl)=C\C4CC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.24,5.75,;-4.57,4.98,;-5.91,5.75,;-7.24,4.98,;-8.58,5.75,;-9.91,4.98,;-11.24,5.75,;-12.58,4.98,;-12.58,3.44,;-11.24,2.67,;-9.91,3.44,;-7.24,3.44,;-5.91,2.67,;-4.57,3.44,;-3.24,2.67,;-3.24,1.13,;-4.57,.36,;-4.57,-1.18,;-3.24,-1.95,;-1.91,-1.18,;-.44,-1.66,;.46,-.41,;2,-.41,;2.77,.92,;2.77,-1.75,;4.31,-1.75,;5.08,-.41,;6.62,-.41,;7.39,-1.75,;6.62,-3.08,;5.08,-3.08,;7.39,-4.41,;6.62,-5.75,;8.93,-4.41,;9.7,-5.75,;9.7,-3.08,;11.24,-3.08,;12.58,-3.85,;12.58,-2.31,;-.57,1.13,;-.57,2.67,;-1.91,3.44,;-1.91,4.98,;-1.91,.36,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCOCC4)c([nH]c1=O)c23 |r,wU:25.26,(-4.11,4.16,;-5.45,3.39,;-6.78,4.16,;-8.12,3.39,;-9.45,4.16,;-10.78,3.39,;-12.12,4.16,;-13.45,3.39,;-13.45,1.85,;-12.12,1.08,;-10.78,1.85,;-8.12,1.85,;-6.78,1.08,;-5.45,1.85,;-4.11,1.08,;-4.11,-.46,;-5.45,-1.23,;-5.45,-2.77,;-4.11,-3.54,;-2.78,-2.77,;-1.32,-3.25,;-.41,-2,;1.13,-2,;1.9,-.67,;1.9,-3.33,;3.44,-3.33,;4.21,-4.67,;5.75,-4.67,;6.52,-3.33,;5.75,-2,;4.21,-2,;6.52,-.67,;5.75,.67,;8.06,-.67,;8.83,.67,;10.37,.67,;11.14,2,;10.37,3.33,;11.14,4.67,;12.68,4.67,;13.45,3.33,;12.68,2,;-1.45,-.46,;-1.45,1.08,;-2.78,1.85,;-2.78,3.39,;-2.78,-1.23,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5sccc5c4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)C)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(cc4)-c4cccs4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc5sccc5c4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(Cc4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:23.23,(-4.01,-.77,;-4.01,.77,;-5.35,1.54,;-5.35,3.08,;-6.68,3.85,;-8.02,3.08,;-9.35,2.31,;-9.35,3.85,;-8.02,1.54,;-4.01,3.85,;-2.68,3.08,;-2.68,1.54,;-1.35,.77,;-1.35,-.77,;-2.68,-1.54,;-2.68,-3.08,;-1.35,-3.85,;-.01,-3.08,;1.45,-3.56,;2.42,-2.05,;3.96,-2.05,;4.73,-3.38,;4.73,-.72,;6.27,-.72,;7.04,-2.05,;8.58,-2.05,;9.35,-.72,;8.58,.62,;7.04,.62,;1.32,-.77,;1.32,.77,;-.01,1.54,;-.01,3.08,;-.01,-1.54,)|
Cc1cc(OC(F)(F)F)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.23,(-5.16,-.77,;-5.16,.77,;-6.5,1.54,;-6.5,3.08,;-7.83,3.85,;-9.17,3.08,;-10.5,3.85,;-9.17,1.54,;-10.5,2.31,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-2.5,.77,;-2.5,-.77,;-3.83,-1.54,;-3.83,-3.08,;-2.5,-3.85,;-1.16,-3.08,;.36,-3.39,;1.26,-1.97,;2.8,-1.97,;3.57,-3.3,;3.57,-.63,;5.11,-.63,;5.88,-1.97,;7.42,-1.97,;8.19,-.63,;7.42,.7,;5.88,.7,;8.19,2.03,;7.42,3.37,;9.73,2.03,;10.5,3.37,;.17,-.77,;.17,.77,;-1.16,1.54,;-1.16,3.08,;-1.16,-1.54,)|
FC(F)(F)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
FC(F)(F)Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,(-10.5,3.85,;-9.17,3.08,;-9.17,1.54,;-7.84,3.85,;-6.5,3.08,;-5.17,3.85,;-3.84,3.08,;-3.84,1.54,;-5.17,.77,;-5.17,-.77,;-6.5,1.54,;-2.5,.77,;-2.5,-.77,;-3.84,-1.54,;-3.84,-3.08,;-2.5,-3.85,;-1.17,-3.08,;.3,-3.56,;1.26,-2.05,;2.8,-2.05,;3.57,-3.38,;3.57,-.72,;5.11,-.72,;5.88,-2.05,;7.42,-2.05,;8.19,-.72,;7.42,.62,;5.88,.62,;8.19,1.95,;7.42,3.29,;9.73,1.95,;10.5,3.29,;.17,-.77,;.17,.77,;-1.17,1.54,;-1.17,3.08,;-1.17,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5ccccc5c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccn(Cc5ccccc5)n4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Cc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CN(C)CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc5ccccc5s4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc5ccccc5s4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc5ccccc5c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Cc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccn(Cc5ccccc5)n4)c(=O)[nH]c1c23 |r|
CC1C[C@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:3.7,(10.05,-.26,;9.28,-1.59,;7.74,-1.59,;6.97,-2.93,;7.74,-4.26,;9.28,-4.26,;10.05,-2.93,;5.43,-2.93,;4.66,-1.59,;5.43,-.26,;3.12,-1.59,;2.11,-2.95,;.61,-2.67,;-.72,-3.44,;-2.05,-2.67,;-2.05,-1.13,;-.72,-.36,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-4.72,1.95,;-4.72,3.49,;-6.05,4.26,;-7.39,3.49,;-8.72,4.26,;-10.05,3.49,;-10.05,1.95,;-8.72,1.18,;-7.39,1.95,;-3.39,4.26,;-2.05,3.49,;-.72,4.26,;.61,1.95,;.61,3.49,;1.95,1.18,;1.95,-.36,;.61,-1.13,)|
CC1C[C@@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:3.7,(10.05,-.26,;9.28,-1.59,;7.74,-1.59,;6.97,-2.93,;7.74,-4.26,;9.28,-4.26,;10.05,-2.93,;5.43,-2.93,;4.66,-1.59,;5.43,-.26,;3.12,-1.59,;2.11,-2.95,;.61,-2.67,;-.72,-3.44,;-2.05,-2.67,;-2.05,-1.13,;-.72,-.36,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-4.72,1.95,;-4.72,3.49,;-6.05,4.26,;-7.39,3.49,;-8.72,4.26,;-10.05,3.49,;-10.05,1.95,;-8.72,1.18,;-7.39,1.95,;-3.39,4.26,;-2.05,3.49,;-.72,4.26,;.61,1.95,;.61,3.49,;1.95,1.18,;1.95,-.36,;.61,-1.13,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.21,(-9.81,4.21,;-8.47,4.98,;-8.47,6.52,;-7.14,4.21,;-7.14,2.67,;-5.8,1.9,;-4.47,2.67,;-4.47,4.21,;-3.14,4.98,;-5.8,4.98,;-3.14,1.9,;-3.14,.36,;-4.47,-.41,;-4.47,-1.95,;-3.14,-2.72,;-1.8,-1.95,;-.34,-2.43,;.57,-1.18,;2.11,-1.18,;2.88,.15,;2.88,-2.52,;4.42,-2.52,;5.19,-1.18,;6.73,-1.18,;7.5,-2.52,;6.73,-3.85,;5.19,-3.85,;7.5,-5.18,;6.73,-6.52,;9.04,-5.18,;9.81,-3.85,;-.47,.36,;-.47,1.9,;-1.8,2.67,;-1.8,4.21,;-1.8,-.41,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.21,(-9.63,3.75,;-8.3,4.52,;-8.3,6.06,;-6.96,3.75,;-6.96,2.21,;-5.63,1.44,;-4.29,2.21,;-4.29,3.75,;-2.96,4.52,;-5.63,4.52,;-2.96,1.44,;-2.96,-.1,;-4.29,-.87,;-4.29,-2.41,;-2.96,-3.18,;-1.63,-2.41,;-.16,-2.89,;.74,-1.64,;2.28,-1.64,;3.05,-.31,;3.05,-2.98,;4.59,-2.98,;5.5,-1.73,;6.96,-2.21,;6.96,-3.75,;5.5,-4.22,;8.3,-4.52,;8.3,-6.06,;9.63,-3.75,;9.63,-2.21,;-.29,-.1,;-.29,1.44,;-1.63,2.21,;-1.63,3.75,;-1.63,-.87,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:21.21,(-8.65,2.87,;-7.32,3.64,;-7.32,5.18,;-5.98,2.87,;-5.98,1.33,;-4.65,.56,;-3.32,1.33,;-3.32,2.87,;-1.98,3.64,;-4.65,3.64,;-1.98,.56,;-1.98,-.98,;-3.32,-1.75,;-3.32,-3.29,;-1.98,-4.06,;-.65,-3.29,;.82,-3.76,;1.72,-2.52,;3.26,-2.52,;4.03,-1.18,;4.03,-3.85,;5.57,-3.85,;6.34,-2.52,;7.88,-2.52,;8.65,-3.85,;7.88,-5.18,;6.34,-5.18,;.68,-.98,;.68,.56,;-.65,1.33,;-.65,2.87,;-.65,-1.75,)|
CC(C)c1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C)C4)c([nH]c1=O)c23 |r,wD:21.21,(-8.65,3.54,;-7.32,4.31,;-7.32,5.85,;-5.98,3.54,;-5.98,2,;-4.65,1.23,;-3.32,2,;-3.32,3.54,;-1.98,4.31,;-4.65,4.31,;-1.98,1.23,;-1.98,-.31,;-3.32,-1.08,;-3.32,-2.62,;-1.98,-3.39,;-.65,-2.62,;.82,-3.1,;1.72,-1.85,;3.26,-1.85,;4.03,-.52,;4.03,-3.18,;5.57,-3.18,;6.34,-1.85,;7.88,-1.85,;8.65,-3.18,;7.88,-4.52,;8.65,-5.85,;6.34,-4.52,;.68,-.31,;.68,1.23,;-.65,2,;-.65,3.54,;-.65,-1.08,)|
C=CC(=O)N1CCC(CNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)C1
O=C(NCC1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)n4ccnc4)c([nH]c1=O)c23 |r|
COc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:23.24,(-4.74,-.77,;-4.74,.77,;-6.07,1.54,;-6.07,3.08,;-7.41,3.85,;-8.74,3.08,;-10.23,3.48,;-10.63,1.99,;-9.14,1.59,;-4.74,3.85,;-3.41,3.08,;-3.41,1.54,;-2.07,.77,;-2.07,-.77,;-3.41,-1.54,;-3.41,-3.08,;-2.07,-3.85,;-.74,-3.08,;.59,-3.83,;1.36,-2.1,;2.89,-2.1,;3.66,-3.44,;3.66,-.77,;5.24,-.77,;6.01,-2.1,;7.55,-2.1,;8.32,-.77,;7.55,.56,;6.01,.56,;8.32,1.9,;7.55,3.23,;9.86,1.9,;10.63,3.23,;.59,-.77,;.59,.77,;-.74,1.54,;-.74,3.08,;-.74,-1.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
COc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(NCC1CCCO1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
O[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Cc5ccccc5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
CO[C@@H]1CNC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:6.8,2.1,(9.08,3.23,;9.85,1.9,;9.08,.56,;9.85,-.77,;9.08,-2.1,;7.54,-2.1,;6.77,-.77,;7.54,.56,;5.23,-.77,;4.46,-2.1,;5.23,-3.44,;2.92,-2.1,;2.15,-3.85,;.82,-3.08,;-.52,-3.85,;-1.85,-3.08,;-1.85,-1.54,;-.52,-.77,;-.52,.77,;-1.85,1.54,;-3.18,.77,;-4.52,1.54,;-4.52,3.08,;-5.85,3.85,;-7.18,3.08,;-8.52,3.85,;-9.85,3.08,;-9.85,1.54,;-8.52,.77,;-7.18,1.54,;-3.18,3.85,;-1.85,3.08,;-.52,3.85,;.82,1.54,;.82,3.08,;2.15,.77,;2.15,-.77,;.82,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CNC(=O)C4)c([nH]c1=O)c23 |r,wD:25.26,(-.83,3.85,;-2.16,3.08,;-3.49,3.85,;-4.83,3.08,;-6.16,3.85,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-10.16,1.54,;-8.83,.77,;-7.5,1.54,;-4.83,1.54,;-3.49,.77,;-2.16,1.54,;-.83,.77,;-.83,-.77,;-2.16,-1.54,;-2.16,-3.08,;-.83,-3.85,;.51,-3.08,;1.84,-3.85,;2.61,-2.1,;4.15,-2.1,;4.92,-3.44,;4.92,-.77,;6.46,-.77,;7.36,.48,;8.83,,;8.83,-1.54,;10.16,-2.31,;7.36,-2.02,;1.84,-.77,;1.84,.77,;.51,1.54,;.51,3.08,;.51,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC(=O)C4)c([nH]c1=O)c23 |r,wU:25.26,(-.83,3.85,;-2.16,3.08,;-3.49,3.85,;-4.83,3.08,;-6.16,3.85,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-10.16,1.54,;-8.83,.77,;-7.5,1.54,;-4.83,1.54,;-3.49,.77,;-2.16,1.54,;-.83,.77,;-.83,-.77,;-2.16,-1.54,;-2.16,-3.08,;-.83,-3.85,;.51,-3.08,;1.84,-3.85,;2.61,-2.1,;4.15,-2.1,;4.92,-3.44,;4.92,-.77,;6.46,-.77,;7.36,.48,;8.83,,;8.83,-1.54,;10.16,-2.31,;7.36,-2.02,;1.84,-.77,;1.84,.77,;.51,1.54,;.51,3.08,;.51,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CNC(=O)C4)c([nH]c1=O)c23 |r,wU:25.26,(-.8,3.85,;-2.13,3.08,;-3.47,3.85,;-4.8,3.08,;-6.14,3.85,;-7.47,3.08,;-8.8,3.85,;-10.14,3.08,;-10.14,1.54,;-8.8,.77,;-7.47,1.54,;-4.8,1.54,;-3.47,.77,;-2.13,1.54,;-.8,.77,;-.8,-.77,;-2.13,-1.54,;-2.13,-3.08,;-.8,-3.85,;.53,-3.08,;1.87,-3.85,;2.64,-2.1,;4.14,-2.1,;4.91,-3.44,;4.91,-.77,;6.43,-.77,;7.34,.48,;8.8,,;8.8,-1.54,;10.14,-2.31,;7.34,-2.02,;1.87,-.77,;1.87,.77,;.53,1.54,;.53,3.08,;.53,-1.54,)|
COCC(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(10.62,3.02,;9.85,1.69,;10.62,.36,;9.85,-.98,;8.51,-.21,;9.45,.51,;10.62,-2.31,;9.85,-3.64,;10.62,-4.98,;11.39,-6.31,;8.31,-3.64,;7.54,-4.98,;7.54,-2.31,;8.31,-.98,;7.54,.36,;6,.36,;5.23,-.98,;6,-2.31,;3.64,-.98,;2.87,.36,;3.64,1.69,;1.39,.36,;.62,-1.39,;-.72,-.62,;-2.05,-1.39,;-3.38,-.62,;-3.38,.92,;-2.05,1.69,;-2.05,3.23,;-3.38,4,;-4.72,3.23,;-6.05,4,;-6.05,5.54,;-7.38,6.31,;-8.72,5.54,;-10.05,6.31,;-11.39,5.54,;-11.39,4,;-10.05,3.23,;-8.72,4,;-4.72,6.31,;-3.38,5.54,;-2.05,6.31,;-.72,4,;-.72,5.54,;.62,3.23,;.62,1.69,;-.72,.92,)|
CCOC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:16.18,(13.43,.32,;12.66,-1.02,;11.12,-1.02,;10.35,-2.35,;10.35,-3.89,;11.83,-2.75,;8.81,-2.35,;8.04,-3.69,;8.81,-5.02,;9.58,-6.35,;6.5,-3.69,;5.73,-5.02,;5.73,-2.35,;6.5,-1.02,;5.73,.32,;4.19,.32,;3.42,-1.02,;4.19,-2.35,;1.88,-1.02,;1.11,.32,;1.88,1.65,;-.43,.32,;-1.27,-.98,;-2.76,-.58,;-4.09,-1.35,;-5.43,-.58,;-5.43,.96,;-4.09,1.73,;-4.09,3.27,;-5.43,4.04,;-6.76,3.27,;-8.09,4.04,;-8.09,5.58,;-9.43,6.35,;-10.76,5.58,;-12.09,6.35,;-13.43,5.58,;-13.43,4.04,;-12.09,3.27,;-10.76,4.04,;-6.76,6.35,;-5.43,5.58,;-4.09,6.35,;-2.76,4.04,;-2.76,5.58,;-1.42,3.27,;-1.42,1.73,;-2.76,.96,)|
CO[C@@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:4.12,(8.06,3.59,;8.83,2.25,;8.06,.92,;6.52,.92,;5.75,-.41,;6.52,-1.75,;8.06,-1.75,;8.83,-.41,;8.83,-3.08,;8.06,-4.41,;10.37,-3.08,;11.14,-1.75,;4.21,-.41,;3.44,-1.75,;4.21,-3.08,;1.9,-1.75,;.99,-2.99,;-.47,-2.52,;-1.8,-3.29,;-3.14,-2.52,;-3.14,-.98,;-1.8,-.21,;-1.8,1.33,;-3.14,2.1,;-4.47,1.33,;-5.81,2.1,;-5.81,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-4.47,4.41,;-3.14,3.64,;-1.8,4.41,;-.47,2.1,;-.47,3.64,;.86,1.33,;.86,-.21,;-.47,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@H](F)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,27.29,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-3.02,;4.19,-.35,;5.73,-.35,;6.5,.98,;8.04,.98,;8.81,2.32,;8.81,-.35,;8.04,-1.68,;6.5,-1.68,;8.81,-3.02,;8.04,-4.35,;10.35,-3.02,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@@H]4F)C(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,wD:25.26,(-2.23,3.96,;-3.56,3.19,;-4.9,3.96,;-6.23,3.19,;-7.56,3.96,;-8.9,3.19,;-10.23,3.96,;-11.56,3.19,;-11.56,1.65,;-10.23,.88,;-8.9,1.65,;-6.23,1.65,;-4.9,.88,;-3.56,1.65,;-2.23,.88,;-2.23,-.66,;-3.56,-1.43,;-3.56,-2.97,;-2.23,-3.74,;-.89,-2.97,;.59,-3.37,;1.43,-2.08,;2.97,-2.08,;3.74,-3.41,;3.74,-.74,;5.28,-.74,;6.19,-1.99,;7.65,-1.51,;7.65,.03,;6.19,.5,;5.71,1.97,;8.9,-2.42,;8.9,-3.96,;10.23,-1.65,;11.56,-2.42,;.44,-.66,;.44,.88,;-.89,1.65,;-.89,3.19,;-.89,-1.43,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3,3.96,;-4.33,3.19,;-5.67,3.96,;-7,3.19,;-8.33,3.96,;-9.67,3.19,;-11,3.96,;-12.33,3.19,;-12.33,1.65,;-11,.88,;-9.67,1.65,;-7,1.65,;-5.67,.88,;-4.33,1.65,;-3,.88,;-3,-.66,;-4.33,-1.43,;-4.33,-2.97,;-3,-3.74,;-1.67,-2.97,;-.18,-3.37,;.66,-2.08,;2.2,-2.08,;2.97,-3.41,;2.97,-.74,;4.51,-.74,;5.42,.5,;6.88,.03,;6.88,-1.51,;5.42,-1.99,;8.13,-2.42,;8.13,-3.96,;9.46,-1.65,;9.46,-.11,;10.79,.66,;12.33,.66,;11.56,1.99,;10.79,-2.42,;12.13,-3.19,;-.33,-.66,;-.33,.88,;-1.67,1.65,;-1.67,3.19,;-1.67,-1.43,)|
Cc1cc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.18,1.77,;-4.18,3.31,;-5.51,4.08,;-5.51,5.62,;-6.85,6.39,;-8.18,5.62,;-9.51,6.39,;-10.85,5.62,;-10.85,4.08,;-9.51,3.31,;-8.18,4.08,;-4.18,6.39,;-2.84,5.62,;-2.84,4.08,;-1.51,3.31,;-1.51,1.77,;-2.84,1,;-2.84,-.54,;-1.51,-1.31,;-.18,-.54,;1.16,-1.31,;2.37,.26,;3.91,.27,;4.66,1.61,;4.69,-1.06,;6.23,-1.06,;7,.28,;8.54,.28,;9.31,-1.06,;8.54,-2.39,;7,-2.39,;9.31,-3.72,;10.85,-3.72,;8.54,-5.06,;9.31,-6.39,;1.16,1.77,;1.16,3.31,;-.18,4.08,;-.18,5.62,;-.18,1,)|
Fc1cccc(c1F)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](F)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:27.29,wD:25.26,(-1.7,4.23,;-3.03,3.46,;-4.37,4.23,;-5.7,3.46,;-7.03,4.23,;-8.37,3.46,;-8.37,1.92,;-9.7,1.15,;-11.04,1.92,;-11.04,3.46,;-9.7,4.23,;-5.7,1.92,;-4.37,1.15,;-3.03,1.92,;-1.7,1.15,;-1.7,-.39,;-3.03,-1.16,;-3.03,-2.7,;-1.7,-3.47,;-.37,-2.7,;1,-3.23,;2.03,-1.56,;3.43,-1.56,;4.2,-2.9,;4.2,-.23,;5.68,-.23,;6.45,1.1,;7.99,1.1,;8.76,2.44,;8.76,-.23,;7.99,-1.56,;6.45,-1.56,;8.76,-2.9,;7.99,-4.23,;10.27,-2.9,;11.04,-1.56,;.97,-.39,;.97,1.15,;-.37,1.92,;-.37,3.46,;-.37,-1.16,)|
Fc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Clc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CO[C@@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23)C(=O)C=C |r,wD:6.7,2.1,(4.93,2.18,;6.44,1.86,;6.91,.4,;8.38,-.08,;8.38,-1.62,;6.91,-2.1,;6.01,-.85,;4.47,-.85,;3.71,-2.19,;4.49,-3.52,;2.17,-2.2,;.96,-3.77,;-.38,-3,;-1.71,-3.77,;-3.04,-3,;-3.04,-1.46,;-1.71,-.69,;-1.71,.85,;-3.04,1.62,;-4.38,.85,;-5.71,1.62,;-5.71,3.16,;-7.04,3.93,;-8.38,3.16,;-9.71,3.93,;-11.04,3.16,;-11.04,1.62,;-9.71,.85,;-8.38,1.62,;-4.38,3.93,;-3.04,3.16,;-1.71,3.93,;-.38,1.62,;-.38,3.16,;.96,.85,;.96,-.69,;-.38,-1.46,;9.71,-2.39,;9.71,-3.93,;11.04,-1.62,;11.04,-.08,)|
Clc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Fc1ccc(c(F)c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Cc5ccccc5)c4)c(=O)[nH]c1c23 |r|
Cc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.22,5.29,;-3.55,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.22,5.29,;-11.56,4.52,;-11.56,2.98,;-10.22,2.21,;-8.89,2.98,;-6.22,2.98,;-4.89,2.21,;-3.55,2.98,;-2.22,2.21,;-2.22,.67,;-3.55,-.1,;-3.55,-1.64,;-2.22,-2.41,;-.89,-1.64,;.6,-2.04,;1.44,-.74,;2.98,-.74,;3.75,.59,;3.75,-2.08,;5.29,-2.08,;6.19,-.83,;7.66,-1.31,;7.66,-2.85,;6.19,-3.32,;8.9,-3.75,;8.9,-5.29,;10.31,-3.13,;11.56,-4.03,;.45,.67,;.45,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CO)c([nH]c1=O)c23 |r,wU:25.26,(-3.49,3.85,;-4.83,3.08,;-6.16,3.85,;-7.5,3.08,;-8.83,3.85,;-10.16,3.08,;-11.5,3.85,;-12.83,3.08,;-12.83,1.54,;-11.5,.77,;-10.16,1.54,;-7.5,1.54,;-6.16,.77,;-4.83,1.54,;-3.49,.77,;-3.49,-.77,;-4.83,-1.54,;-4.83,-3.08,;-3.49,-3.85,;-2.16,-3.08,;-.83,-3.85,;-.06,-2.1,;1.48,-2.1,;2.25,-3.44,;2.25,-.77,;3.79,-.77,;4.7,-2.02,;6.16,-1.54,;6.16,,;4.7,.48,;7.5,.77,;7.5,2.31,;8.83,,;10.16,.77,;11.5,,;12.83,.77,;-.83,-.77,;-.83,.77,;-2.16,1.54,;-2.16,3.08,;-2.16,-1.54,)|
CN[C@@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.2,wD:10.12,(11.89,-3.02,;10.35,-3.02,;9.58,-4.35,;10.35,-5.69,;8.04,-4.35,;7.27,-5.69,;7.27,-3.02,;8.04,-1.68,;7.27,-.35,;5.73,-.35,;4.96,-1.68,;5.73,-3.02,;3.42,-1.68,;2.65,-.35,;3.42,.98,;1.11,-.35,;.27,-1.64,;-1.22,-1.24,;-2.55,-2.01,;-3.89,-1.24,;-3.89,.3,;-2.55,1.07,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.55,3.38,;-6.55,4.92,;-7.89,5.69,;-9.22,4.92,;-10.55,5.69,;-11.89,4.92,;-11.89,3.38,;-10.55,2.61,;-9.22,3.38,;-5.22,5.69,;-3.89,4.92,;-2.55,5.69,;-1.22,3.38,;-1.22,4.92,;.12,2.61,;.12,1.07,;-1.22,.3,)|
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CCCc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
Cc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
CCS(=O)(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:9.11,(11.19,-4.16,;9.65,-4.16,;8.88,-2.83,;10.22,-2.06,;7.55,-3.6,;8.11,-1.49,;8.88,-.16,;8.11,1.18,;6.57,1.18,;5.8,-.16,;6.57,-1.49,;4.26,-.16,;3.49,-1.49,;4.26,-2.83,;1.95,-1.49,;1.33,-2.9,;-.52,-2.77,;-1.86,-3.54,;-3.19,-2.77,;-3.19,-1.23,;-1.86,-.46,;-1.86,1.08,;-3.19,1.85,;-4.53,1.08,;-5.86,1.85,;-5.86,3.39,;-7.19,4.16,;-8.53,3.39,;-9.86,4.16,;-11.19,3.39,;-11.19,1.85,;-9.86,1.08,;-8.53,1.85,;-4.53,4.16,;-3.19,3.39,;-1.86,4.16,;-.52,1.85,;-.52,3.39,;.81,1.08,;.81,-.46,;-.52,-1.23,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
F[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)[C@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.5,5.17,;-2.83,4.4,;-4.17,5.17,;-5.5,4.4,;-6.83,5.17,;-8.17,4.4,;-9.5,5.17,;-10.84,4.4,;-10.84,2.86,;-9.5,2.09,;-8.17,2.86,;-5.5,2.86,;-4.17,2.09,;-2.83,2.86,;-1.5,2.09,;-1.5,.55,;-2.83,-.22,;-2.83,-1.76,;-1.5,-2.53,;-.17,-1.76,;1.17,-2.11,;1.94,-.78,;3.48,-.77,;4.26,-2.09,;3.49,-3.43,;5.8,-2.09,;6.7,-.85,;8.17,-1.32,;8.17,-2.86,;6.7,-3.34,;9.5,-3.63,;9.5,-5.17,;10.84,-2.86,;10.84,-1.32,;1.17,.55,;1.17,2.09,;-.17,2.86,;-.17,4.4,;-.17,-.22,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.5,5.17,;-2.83,4.4,;-4.17,5.17,;-5.5,4.4,;-6.83,5.17,;-8.17,4.4,;-9.5,5.17,;-10.84,4.4,;-10.84,2.86,;-9.5,2.09,;-8.17,2.86,;-5.5,2.86,;-4.17,2.09,;-2.83,2.86,;-1.5,2.09,;-1.5,.55,;-2.83,-.22,;-2.83,-1.76,;-1.5,-2.53,;-.17,-1.76,;1.17,-2.11,;1.94,-.78,;3.48,-.77,;4.26,-2.09,;3.49,-3.43,;5.8,-2.09,;6.7,-.85,;8.17,-1.32,;8.17,-2.86,;6.7,-3.34,;9.5,-3.63,;9.5,-5.17,;10.84,-2.86,;10.84,-1.32,;1.17,.55,;1.17,2.09,;-.17,2.86,;-.17,4.4,;-.17,-.22,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C[C@@H](CO)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:1.0,wD:10.12,(10.23,-1.63,;9.46,-2.97,;10.23,-4.3,;11.77,-4.3,;7.92,-2.97,;7.15,-4.3,;7.15,-1.63,;7.92,-.3,;7.15,1.03,;5.61,1.03,;4.84,-.3,;5.61,-1.63,;3.3,-.3,;2.54,-1.64,;3.32,-2.97,;1,-1.65,;.23,-2.99,;-1.1,-2.63,;-2.44,-3.4,;-3.77,-2.63,;-3.77,-1.09,;-2.44,-.32,;-2.44,1.22,;-3.77,1.99,;-5.1,1.22,;-6.44,1.99,;-6.44,3.53,;-7.77,4.3,;-9.1,3.53,;-10.44,4.3,;-11.77,3.53,;-11.77,1.99,;-10.44,1.22,;-9.1,1.99,;-5.1,4.3,;-3.77,3.53,;-2.44,4.3,;-1.1,1.99,;-1.1,3.53,;.23,1.22,;.23,-.32,;-1.1,-1.09,)|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\F)=C\CN)c([nH]c1=O)c23 |r,wU:25.26,(-2.82,3.49,;-4.15,2.72,;-5.48,3.49,;-6.82,2.72,;-8.15,3.49,;-9.49,2.72,;-10.82,3.49,;-12.15,2.72,;-12.15,1.18,;-10.82,.41,;-9.49,1.18,;-6.82,1.18,;-5.48,.41,;-4.15,1.18,;-2.82,.41,;-2.82,-1.13,;-4.15,-1.9,;-4.15,-3.44,;-2.82,-4.21,;-1.48,-3.44,;-.15,-3.8,;.62,-2.47,;2.16,-2.46,;2.94,-3.78,;2.92,-1.12,;4.46,-1.12,;5.23,-2.45,;6.77,-2.45,;7.54,-1.12,;6.77,.22,;5.23,.22,;7.54,1.55,;6.77,2.88,;9.07,1.55,;9.84,.22,;9.84,2.88,;11.38,2.88,;12.15,4.21,;-.15,-1.13,;-.15,.41,;-1.48,1.18,;-1.48,2.72,;-1.48,-1.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(\Cl)=C\CN)c([nH]c1=O)c23 |r,wU:25.26,(-2.96,3.6,;-4.29,2.83,;-5.63,3.6,;-6.96,2.83,;-8.29,3.6,;-9.63,2.83,;-10.96,3.6,;-12.3,2.83,;-12.3,1.29,;-10.96,.52,;-9.63,1.29,;-6.96,1.29,;-5.63,.52,;-4.29,1.29,;-2.96,.52,;-2.96,-1.02,;-4.29,-1.79,;-4.29,-3.33,;-2.96,-4.1,;-1.63,-3.33,;-.16,-3.81,;.74,-2.56,;2.28,-2.56,;3.05,-3.9,;3.05,-1.23,;4.59,-1.23,;5.36,-2.56,;6.91,-2.56,;7.68,-1.23,;6.91,.1,;5.36,.1,;7.68,1.44,;6.91,2.77,;9.22,1.44,;9.99,.1,;9.99,2.77,;11.53,2.77,;12.3,4.1,;-.29,-1.02,;-.29,.52,;-1.63,1.29,;-1.63,2.83,;-1.63,-1.79,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cccc(c1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)c([nH]c1=O)c23 |r,wU:37.39,42.46,wD:25.26,(-3.94,5.44,;-5.27,4.67,;-6.6,5.44,;-7.94,4.67,;-9.27,5.44,;-10.6,4.67,;-10.6,3.13,;-11.94,2.36,;-13.27,3.13,;-13.27,4.67,;-11.94,5.44,;-7.94,3.13,;-6.6,2.36,;-5.27,3.13,;-3.94,2.36,;-3.94,.82,;-5.27,.05,;-5.27,-1.49,;-3.94,-2.26,;-2.6,-1.49,;-1.14,-1.97,;-.23,-.72,;1.31,-.75,;2.1,.57,;2.05,-2.09,;3.59,-2.09,;4.5,-.85,;5.96,-1.32,;5.96,-2.86,;4.5,-3.34,;7.05,-3.95,;6.65,-5.44,;8.54,-3.55,;8.94,-2.07,;10.43,-1.67,;10.82,-.18,;9.86,1.02,;10.69,2.31,;10.3,3.79,;11.38,4.88,;12.87,4.49,;13.27,3,;12.18,1.91,;12.26,.37,;-1.27,.82,;-1.27,2.36,;-2.6,3.13,;-2.6,4.67,;-2.6,.05,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4C[C@@H](O)CN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,wD:22.22,(-10.47,4.41,;-9.14,3.64,;-9.14,2.1,;-7.81,4.41,;-6.47,3.64,;-6.47,2.1,;-5.14,1.33,;-3.8,2.1,;-3.8,3.64,;-2.47,4.41,;-5.14,4.41,;-2.47,1.33,;-2.47,-.21,;-3.8,-.98,;-3.8,-2.52,;-2.47,-3.29,;-1.14,-2.52,;.33,-2.99,;1.23,-1.75,;2.77,-1.75,;3.54,-3.08,;3.54,-.41,;5.08,-.41,;5.85,.92,;7.39,.92,;8.16,2.25,;8.16,-.41,;7.39,-1.75,;5.85,-1.75,;8.16,-3.08,;7.39,-4.41,;9.7,-3.08,;10.47,-1.75,;.2,-.21,;.2,1.33,;-1.14,2.1,;-1.14,3.64,;-1.14,-.98,)|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCCCC5)c4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCCC5)c4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN(C)C)c([nH]c1=O)c23 |r,wD:22.22,(-12.83,4.78,;-11.49,4.01,;-11.49,2.47,;-10.16,4.78,;-8.83,4.01,;-8.83,2.47,;-7.49,1.7,;-6.16,2.47,;-6.16,4.01,;-4.83,4.78,;-7.49,4.78,;-4.83,1.7,;-4.83,.16,;-6.16,-.61,;-6.16,-2.15,;-4.83,-2.92,;-3.49,-2.15,;-2.03,-2.63,;-1.12,-1.38,;.42,-1.38,;1.19,-2.72,;1.19,-.05,;2.73,-.05,;3.63,1.2,;5.1,.72,;5.1,-.82,;3.63,-1.3,;6.19,-1.91,;5.79,-3.4,;7.67,-1.51,;8.76,-2.6,;10.25,-2.2,;11.34,-3.29,;12.83,-2.89,;10.94,-4.78,;-2.16,.16,;-2.16,1.7,;-3.49,2.47,;-3.49,4.01,;-3.49,-.61,)|
FC(F)(F)c1ccccc1-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C[C@H](CO)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,1.0,(10.36,-3.1,;9.59,-4.43,;10.36,-5.77,;11.9,-5.77,;8.05,-4.43,;7.28,-5.77,;7.28,-3.1,;8.05,-1.77,;7.28,-.43,;5.74,-.43,;4.97,-1.77,;5.74,-3.1,;3.43,-1.77,;2.68,-.42,;3.48,.9,;1.14,-.39,;.24,-1.64,;-1.23,-1.16,;-2.56,-1.93,;-3.9,-1.16,;-3.9,.38,;-2.56,1.15,;-2.56,2.69,;-3.9,3.46,;-5.23,2.69,;-6.56,3.46,;-6.56,5,;-7.9,5.77,;-9.23,5,;-9.23,3.46,;-10.56,2.69,;-11.9,3.46,;-11.9,5,;-10.56,5.77,;-5.23,5.77,;-3.9,5,;-2.56,5.77,;-1.23,3.46,;-1.23,5,;.11,2.69,;.11,1.15,;-1.23,.38,)|
CC(C)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
FC(F)(F)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CC4)c(=O)[nH]c1c23 |r|
C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
COC[C@@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:11.13,3.3,(12.29,-5.08,;11.52,-3.75,;9.98,-3.75,;9.21,-2.41,;9.98,-1.08,;7.67,-2.41,;6.9,-3.75,;6.9,-1.08,;7.67,.25,;6.9,1.59,;5.36,1.59,;4.59,.25,;5.36,-1.08,;3.05,.25,;2.28,-1.08,;3.05,-2.41,;.74,-1.08,;-.16,-2.33,;-1.63,-1.85,;-2.96,-2.62,;-4.29,-1.85,;-4.29,-.31,;-2.96,.46,;-2.96,2,;-4.29,2.77,;-5.63,2,;-6.96,2.77,;-6.96,4.31,;-8.29,5.08,;-9.63,4.31,;-10.96,5.08,;-12.29,4.31,;-12.29,2.77,;-10.96,2,;-9.63,2.77,;-5.63,5.08,;-4.29,4.31,;-2.96,5.08,;-1.63,2.77,;-1.63,4.31,;-.29,2,;-.29,.46,;-1.63,-.31,)|
CN(C)CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
OC1C[C@@H](CCN1C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
COCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r|
O=C(NC1CCC(=O)NC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
F[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1ccc(cc1)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
Cc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1Cl)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O[C@H]1C[C@@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CO[C@H]1CNC[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@H]1C[C@@H](CCN1C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
OC\C=C\C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCN(C1)C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCN(CC1)C#N)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.32,-.21,;-3.32,1.33,;-4.65,2.1,;-4.65,3.64,;-5.98,4.41,;-7.32,3.64,;-8.65,4.41,;-9.98,3.64,;-9.98,2.1,;-8.65,1.33,;-7.32,2.1,;-3.32,4.41,;-1.98,3.64,;-1.98,2.1,;-.65,1.33,;-.65,-.21,;-1.98,-.98,;-1.98,-2.52,;-.65,-3.29,;.68,-2.52,;2.15,-2.99,;3.05,-1.75,;4.59,-1.75,;5.36,-.41,;5.36,-3.08,;6.9,-3.08,;7.67,-1.75,;9.21,-1.75,;9.98,-3.08,;9.21,-4.41,;7.67,-4.41,;2.02,-.21,;2.02,1.33,;.68,2.1,;.68,3.64,;.68,-.98,)|
OC\C=C\C(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
COCCC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(OC5CCC5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |(-1.42,3.85,;-2.75,3.08,;-4.09,3.85,;-5.42,3.08,;-6.75,3.85,;-8.09,3.08,;-9.42,3.85,;-10.75,3.08,;-10.75,1.54,;-9.42,.77,;-8.09,1.54,;-5.42,1.54,;-4.09,.77,;-2.75,1.54,;-1.42,.77,;-1.42,-.77,;-2.75,-1.54,;-2.75,-3.08,;-1.42,-3.85,;-.09,-3.08,;1.38,-3.56,;2.28,-2.31,;3.82,-2.31,;4.59,-.98,;3.82,.36,;4.59,1.69,;6.13,1.69,;6.9,.36,;6.13,-.98,;8.44,.36,;9.21,1.69,;9.21,-.98,;10.75,-.98,;1.25,-.77,;1.25,.77,;-.09,1.54,;-.09,3.08,;-.09,-1.54,)|
CNCC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(n4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-3.71,-.77,;-3.71,.77,;-5.04,1.54,;-5.04,3.08,;-6.37,3.85,;-7.71,3.08,;-9.2,3.48,;-9.59,1.99,;-8.11,1.59,;-3.71,3.85,;-2.37,3.08,;-2.37,1.54,;-1.04,.77,;-1.04,-.77,;-2.37,-1.54,;-2.37,-3.08,;-1.04,-3.85,;.29,-3.08,;1.76,-3.56,;2.66,-2.31,;4.2,-2.31,;4.97,-3.64,;4.97,-.98,;6.51,-.98,;7.28,-2.31,;8.82,-2.31,;9.59,-.98,;8.82,.36,;7.28,.36,;1.63,-.77,;1.63,.77,;.29,1.54,;.29,3.08,;.29,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-.65,3.6,;-1.98,2.83,;-3.32,3.6,;-4.65,2.83,;-5.98,3.6,;-7.32,2.83,;-8.65,3.6,;-9.98,2.83,;-9.98,1.29,;-8.65,.52,;-7.32,1.29,;-4.65,1.29,;-3.32,.52,;-1.98,1.29,;-.65,.52,;-.65,-1.02,;-1.98,-1.79,;-1.98,-3.33,;-.65,-4.1,;.68,-3.33,;2.15,-3.81,;3.05,-2.56,;4.59,-2.56,;5.36,-1.23,;6.9,-1.23,;7.67,.1,;6.9,1.44,;5.36,1.44,;4.59,.1,;7.67,2.77,;6.9,4.1,;9.21,2.77,;9.98,1.44,;2.02,-1.02,;2.02,.52,;.68,1.29,;.68,2.83,;.68,-1.79,)|
Cc1ccc(cc1C(F)(F)F)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)c([nH]c1=O)c23 |r,wU:22.22,35.36,40.43,(-13.22,3.12,;-11.89,2.35,;-11.89,.81,;-10.55,3.12,;-9.22,2.35,;-9.22,.81,;-7.89,.04,;-6.55,.81,;-6.55,2.35,;-5.22,3.12,;-7.89,3.12,;-5.22,.04,;-5.22,-1.5,;-6.55,-2.27,;-6.55,-3.81,;-5.22,-4.58,;-3.88,-3.81,;-2.42,-4.29,;-1.52,-3.04,;.03,-3.04,;.8,-1.71,;.8,-4.37,;2.34,-4.37,;3.11,-5.71,;4.65,-5.71,;5.42,-4.37,;4.65,-3.04,;3.11,-3.04,;5.42,-1.71,;4.65,-.37,;6.96,-1.71,;7.73,-.37,;9.27,-.37,;10.04,.96,;9.41,2.37,;10.55,3.4,;10.55,4.94,;11.89,5.71,;13.22,4.94,;13.22,3.4,;11.89,2.63,;11.57,1.12,;-2.55,-1.5,;-2.55,.04,;-3.88,.81,;-3.88,2.35,;-3.88,-2.27,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc(ccn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CC[C@H](C[C@@H]1O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5COC5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCCC5)c4)c(=O)[nH]c1c23
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CN(C[C@H]4O)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-10.96,3.9,;-9.63,3.13,;-9.63,1.59,;-8.3,3.9,;-6.96,3.13,;-6.96,1.59,;-5.63,.82,;-4.29,1.59,;-4.29,3.13,;-2.96,3.9,;-5.63,3.9,;-2.96,.82,;-2.96,-.72,;-4.29,-1.49,;-4.29,-3.03,;-2.96,-3.8,;-1.63,-3.03,;-.29,-3.8,;.83,-2.02,;2.37,-2.02,;3.14,-3.36,;3.14,-.69,;4.68,-.69,;5.58,-1.93,;7.05,-1.46,;7.05,.08,;5.58,.56,;5.11,2.02,;8.3,-2.36,;8.3,-3.9,;9.63,-1.59,;10.96,-2.36,;-.29,-.72,;-.29,.82,;-1.63,1.59,;-1.63,3.13,;-1.63,-1.49,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCCCC5)c4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CC[C@H](C[C@H]1O)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cncc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
COc1ncc(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
FC(F)(F)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(OC5CCC5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(n4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1C[C@H](F)[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4ccc(OC5CCC5)cc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCCCC4)c(=O)[nH]c1c23
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4ccncc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4COC4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(cc1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(Oc5ccccc5)n4)c(=O)[nH]c1c23 |r|
FC1(F)Oc2ccc(cc2O1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CO[C@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)OC(C)(C)C |r|
CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.53,2.41,;-9.19,3.18,;-9.19,4.72,;-7.86,2.41,;-6.53,3.18,;-6.53,4.72,;-5.19,5.49,;-3.86,4.72,;-2.52,5.49,;-3.86,3.18,;-5.19,2.41,;-2.52,2.41,;-2.52,.87,;-3.86,.1,;-3.86,-1.44,;-2.52,-2.21,;-1.19,-1.44,;.3,-1.84,;1.29,-.16,;2.83,-.16,;3.6,1.18,;3.6,-1.49,;5.14,-1.49,;5.91,-.16,;7.45,-.16,;8.22,-1.49,;7.45,-2.83,;5.91,-2.83,;8.22,-4.16,;7.45,-5.49,;9.76,-4.16,;10.53,-2.83,;.14,.87,;.14,2.41,;-1.19,3.18,;-1.19,4.72,;-1.19,.1,)|
CC(C)(C)S(=O)(=O)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-8.71,-1.23,;-7.37,-.46,;-6.04,-1.23,;-7.37,1.08,;-6.04,1.85,;-6.04,3.39,;-4.7,4.16,;-3.37,3.39,;-2.04,4.16,;-3.37,1.85,;-4.7,1.08,;-2.04,1.08,;-2.04,-.46,;-3.37,-1.23,;-3.37,-2.77,;-2.04,-3.54,;-.7,-2.77,;.78,-3.17,;1.78,-1.49,;3.32,-1.49,;4.09,-.16,;4.09,-2.83,;5.63,-2.83,;6.4,-1.49,;7.94,-1.49,;8.71,-2.83,;7.94,-4.16,;6.4,-4.16,;.63,-.46,;.63,1.08,;-.7,1.85,;-.7,3.39,;-.7,-1.23,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(Oc5ccccc5)n4)c(=O)[nH]c1c23 |r|
CC(C)(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4ccncc4)c(=O)[nH]c1c23
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C(C)(C)C)c(=O)[nH]c1c23 |r|
CC(=O)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)OC(C)(C)C)c([nH]c1=O)c23 |r|
CC(C)(C)S(=O)(=O)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(cc4)S(=O)(=O)C(C)(C)C)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)(C)C)cc4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc5OC(F)(F)Oc5c4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
O[C@@H]1CCN(C[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23)C(=O)C=C |r|
Cc1nc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-.68,4.19,;-2.01,3.42,;-3.34,4.19,;-4.68,3.42,;-6.01,4.19,;-7.34,3.42,;-8.68,4.19,;-10.01,3.42,;-10.01,1.88,;-8.68,1.11,;-7.34,1.88,;-4.68,1.88,;-3.34,1.11,;-2.01,1.88,;-.68,1.11,;-.68,-.43,;-2.01,-1.2,;-2.01,-2.74,;-.68,-3.51,;.66,-2.74,;2.15,-3.14,;3.08,-1.52,;4.62,-1.52,;5.39,-.19,;5.39,-2.85,;6.93,-2.85,;7.7,-1.52,;9.24,-1.52,;10.01,-2.85,;9.24,-4.19,;7.7,-4.19,;1.99,-.43,;1.99,1.11,;.66,1.88,;.66,3.42,;.66,-1.2,)|
Cc1nc(Oc2ccccc2)cnc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.83,5.52,;-3.16,4.75,;-4.5,5.52,;-5.83,4.75,;-7.16,5.52,;-8.5,4.75,;-9.83,5.52,;-11.17,4.75,;-11.17,3.21,;-9.83,2.44,;-8.5,3.21,;-5.83,3.21,;-4.5,2.44,;-3.16,3.21,;-1.83,2.44,;-1.83,.9,;-3.16,.13,;-3.16,-1.41,;-1.83,-2.18,;-.5,-1.41,;.99,-1.81,;1.93,-.19,;3.47,-.19,;4.24,1.15,;4.24,-1.52,;5.78,-1.52,;6.55,-.19,;8.09,-.19,;8.86,-1.52,;8.09,-2.85,;6.55,-2.85,;8.86,-4.19,;8.09,-5.52,;10.4,-4.19,;11.17,-2.85,;.84,.9,;.84,2.44,;-.5,3.21,;-.5,4.75,;-.5,.13,)|
O[C@@H]1CCNC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O[C@@H]1C[C@H](CCN1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.14,.21,;-4.14,1.75,;-5.47,2.52,;-5.47,4.06,;-6.81,4.83,;-8.14,4.06,;-8.14,2.52,;-9.48,1.75,;-10.81,2.52,;-10.81,4.06,;-9.48,4.83,;-4.14,4.83,;-2.81,4.06,;-2.81,2.52,;-1.47,1.75,;-1.47,.21,;-2.81,-.56,;-2.81,-2.1,;-1.47,-2.87,;-.14,-2.1,;1.35,-2.5,;2.34,-.82,;3.88,-.82,;4.65,-2.16,;4.65,.51,;6.19,.51,;6.96,1.84,;8.5,1.84,;9.27,.51,;8.5,-.82,;6.96,-.82,;9.27,-2.16,;10.81,-2.16,;8.5,-3.49,;9.27,-4.83,;1.19,.21,;1.19,1.75,;-.14,2.52,;-.14,4.06,;-.14,-.56,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.48,-.77,;-4.48,.77,;-5.82,1.54,;-5.82,3.08,;-7.15,3.85,;-8.48,3.08,;-9.82,3.85,;-11.15,3.08,;-11.15,1.54,;-9.82,.77,;-8.48,1.54,;-4.48,3.85,;-3.15,3.08,;-3.15,1.54,;-1.82,.77,;-1.82,-.77,;-3.15,-1.54,;-3.15,-3.08,;-1.82,-3.85,;-.48,-3.08,;1.01,-3.48,;1.94,-1.86,;3.48,-1.86,;4.25,-3.19,;4.25,-.53,;5.79,-.53,;6.56,-1.86,;8.1,-1.86,;8.87,-.53,;8.1,.81,;6.56,.81,;8.87,2.14,;8.1,3.48,;10.41,2.14,;11.15,3.43,;.85,-.77,;.85,.77,;-.48,1.54,;-.48,3.08,;-.48,-1.54,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.99,-.77,;-4.99,.77,;-6.32,1.54,;-6.32,3.08,;-7.66,3.85,;-8.99,3.08,;-10.32,3.85,;-11.66,3.08,;-11.66,1.54,;-10.32,.77,;-8.99,1.54,;-4.99,3.85,;-3.65,3.08,;-3.65,1.54,;-2.32,.77,;-2.32,-.77,;-3.65,-1.54,;-3.65,-3.08,;-2.32,-3.85,;-.99,-3.08,;.5,-3.48,;1.44,-1.86,;2.98,-1.86,;3.75,-3.19,;3.75,-.53,;5.29,-.53,;6.19,-1.77,;7.66,-1.3,;7.66,.24,;6.19,.72,;8.99,1.01,;8.99,2.55,;10.32,.24,;11.66,1.01,;.35,-.77,;.35,.77,;-.99,1.54,;-.99,3.08,;-.99,-1.54,)|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.32,.44,;-4.32,1.98,;-5.65,2.75,;-5.65,4.29,;-6.99,5.06,;-8.32,4.29,;-9.66,5.06,;-10.99,4.29,;-10.99,2.75,;-9.66,1.98,;-8.32,2.75,;-4.32,5.06,;-2.99,4.29,;-2.99,2.75,;-1.65,1.98,;-1.65,.44,;-2.99,-.33,;-2.99,-1.87,;-1.65,-2.64,;-.32,-1.87,;1.17,-2.27,;2.1,-.65,;3.64,-.65,;4.41,.69,;4.41,-1.98,;5.95,-1.98,;6.86,-.74,;8.32,-1.21,;8.32,-2.75,;6.86,-3.23,;9.66,-3.52,;9.66,-5.06,;10.99,-2.75,;10.99,-1.21,;1.01,.44,;1.01,1.98,;-.32,2.75,;-.32,4.29,;-.32,-.33,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.32,.44,;-4.32,1.98,;-5.65,2.75,;-5.65,4.29,;-6.99,5.06,;-8.32,4.29,;-9.66,5.06,;-10.99,4.29,;-10.99,2.75,;-9.66,1.98,;-8.32,2.75,;-4.32,5.06,;-2.99,4.29,;-2.99,2.75,;-1.65,1.98,;-1.65,.44,;-2.99,-.33,;-2.99,-1.87,;-1.65,-2.64,;-.32,-1.87,;1.17,-2.27,;2.1,-.65,;3.64,-.65,;4.41,.69,;4.41,-1.98,;5.95,-1.98,;6.86,-.74,;8.32,-1.21,;8.32,-2.75,;6.86,-3.23,;9.66,-3.52,;9.66,-5.06,;10.99,-2.75,;10.99,-1.21,;1.01,.44,;1.01,1.98,;-.32,2.75,;-.32,4.29,;-.32,-.33,)|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@H]4COCC4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-5.29,-.44,;-5.29,1.1,;-6.62,1.87,;-6.62,3.41,;-7.95,4.18,;-9.29,3.41,;-10.62,4.18,;-11.96,3.41,;-11.96,1.87,;-10.62,1.1,;-9.29,1.87,;-5.29,4.18,;-3.95,3.41,;-3.95,1.87,;-2.62,1.1,;-2.62,-.44,;-3.95,-1.21,;-3.95,-2.75,;-2.62,-3.52,;-1.28,-2.75,;.2,-3.15,;1.14,-1.53,;2.68,-1.53,;3.45,-2.86,;3.45,-.19,;4.99,-.19,;5.89,-1.44,;7.36,-.96,;7.36,.58,;5.89,1.05,;5.42,2.52,;3.91,2.84,;2.88,1.69,;3.44,4.3,;1.93,4.62,;.05,-.44,;.05,1.1,;-1.28,1.87,;-1.28,3.41,;-1.28,-1.21,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9.16,1.88,;-9.16,3.42,;-10.5,4.19,;-7.83,4.19,;-6.5,3.42,;-6.5,1.88,;-5.16,1.11,;-5.16,-.49,;-3.83,1.88,;-3.83,3.42,;-5.16,4.19,;-2.5,1.11,;-2.5,-.43,;-3.83,-1.2,;-3.83,-2.74,;-2.5,-3.51,;-1.16,-2.74,;.32,-3.14,;1.26,-1.52,;2.8,-1.52,;3.57,-2.85,;3.57,-.19,;5.11,-.19,;5.88,1.15,;7.42,1.15,;8.19,-.19,;7.42,-1.52,;5.88,-1.52,;8.19,-2.85,;7.42,-4.19,;9.73,-2.85,;10.5,-1.52,;.17,-.43,;.17,1.11,;-1.16,1.88,;-1.16,3.42,;-1.16,-1.2,)|
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-1.8,6.31,;-3.13,5.54,;-4.47,6.31,;-5.8,5.54,;-7.14,6.31,;-8.47,5.54,;-9.96,5.93,;-10.36,4.45,;-8.87,4.05,;-5.8,4,;-4.47,3.23,;-3.13,4,;-1.8,3.23,;-1.8,1.69,;-3.13,.92,;-3.13,-.62,;-1.8,-1.39,;-.47,-.62,;1.14,-.89,;1.88,.36,;3.42,.36,;4.19,1.7,;4.19,-.97,;5.73,-.97,;6.5,.36,;8.04,.36,;8.82,-.97,;8.04,-2.3,;6.5,-2.3,;8.82,-3.64,;10.36,-3.64,;8.04,-4.97,;8.82,-6.31,;.87,1.69,;.87,3.23,;-.47,4,;-.47,5.54,;-.47,.92,)|
Fc1cccc(c1F)-c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
O[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
Cc1c(nccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-5.13,1.02,;-5.13,2.56,;-6.46,3.33,;-6.46,4.87,;-5.13,5.64,;-3.8,4.87,;-3.8,3.33,;-2.46,2.56,;-2.46,1.02,;-3.8,.25,;-3.8,-1.29,;-2.46,-2.06,;-1.13,-1.29,;.48,-1.56,;1.22,-.3,;2.76,-.3,;3.53,1.03,;3.53,-1.64,;5.07,-1.64,;5.84,-.3,;7.38,-.3,;8.15,-1.64,;7.38,-2.97,;5.84,-2.97,;8.15,-4.31,;7.38,-5.64,;9.69,-4.31,;10.46,-2.97,;.21,1.02,;.21,2.56,;-1.13,3.33,;-1.13,4.87,;-1.13,.25,;-7.8,2.56,;-9.13,3.33,;-10.46,2.56,;-10.46,1.02,;-9.13,.25,;-7.8,1.02,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CO[C@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H]1\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:7.8,wD:18.21,(12.31,1.52,;11.22,.43,;9.73,.83,;11.62,-1.06,;13.08,-1.53,;13.08,-3.07,;11.62,-3.55,;10.72,-2.3,;9.18,-2.3,;8.41,-3.64,;9.18,-4.97,;9.95,-6.31,;6.87,-3.64,;6.1,-4.97,;6.1,-2.3,;6.87,-.97,;6.1,.36,;4.56,.36,;3.79,-.97,;4.56,-2.3,;2.25,-.97,;1.48,.36,;2.25,1.7,;-.06,.36,;-.81,-.89,;-2.42,-.62,;-3.75,-1.39,;-5.08,-.62,;-5.08,.92,;-3.75,1.69,;-3.75,3.23,;-5.08,4,;-6.42,3.23,;-7.75,4,;-7.75,5.54,;-9.08,6.31,;-10.42,5.54,;-10.42,4,;-11.75,3.23,;-13.08,4,;-13.08,5.54,;-11.75,6.31,;-6.42,6.31,;-5.08,5.54,;-3.75,6.31,;-2.42,4,;-2.42,5.54,;-1.08,3.23,;-1.08,1.69,;-2.42,.92,)|
Cc1nc(OC2CCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.24,(-4.48,1.69,;-4.48,3.23,;-5.81,4,;-5.81,5.54,;-7.14,6.31,;-8.48,5.54,;-9.97,5.93,;-10.36,4.45,;-8.88,4.05,;-4.48,6.31,;-3.14,5.54,;-3.14,4,;-1.81,3.23,;-1.81,1.69,;-3.14,.92,;-3.14,-.62,;-1.81,-1.39,;-.48,-.62,;.99,-1.1,;1.89,.36,;3.43,.36,;4.2,1.7,;4.2,-.97,;5.74,-.97,;6.51,.36,;8.05,.36,;8.82,-.97,;8.05,-2.3,;6.51,-2.3,;8.82,-3.64,;10.36,-3.64,;8.05,-4.97,;8.82,-6.31,;.86,1.69,;.86,3.23,;-.48,4,;-.48,5.54,;-.48,.92,)|
CC(=O)N1CCC[C@@H]1\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:18.21,7.8,(12.31,1.52,;11.22,.43,;9.73,.83,;11.62,-1.06,;13.08,-1.53,;13.08,-3.07,;11.62,-3.55,;10.72,-2.3,;9.18,-2.3,;8.41,-3.64,;9.18,-4.97,;9.95,-6.31,;6.87,-3.64,;6.1,-4.97,;6.1,-2.3,;6.87,-.97,;6.1,.36,;4.56,.36,;3.79,-.97,;4.56,-2.3,;2.25,-.97,;1.48,.36,;2.25,1.7,;-.06,.36,;-.81,-.89,;-2.42,-.62,;-3.75,-1.39,;-5.08,-.62,;-5.08,.92,;-3.75,1.69,;-3.75,3.23,;-5.08,4,;-6.42,3.23,;-7.75,4,;-7.75,5.54,;-9.08,6.31,;-10.42,5.54,;-10.42,4,;-11.75,3.23,;-13.08,4,;-13.08,5.54,;-11.75,6.31,;-6.42,6.31,;-5.08,5.54,;-3.75,6.31,;-2.42,4,;-2.42,5.54,;-1.08,3.23,;-1.08,1.69,;-2.42,.92,)|
CC(=O)N1CC2OCCOC2[C@@H]1\C=C(/C#N)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:22.26,11.13,(12.15,1.68,;11.12,.54,;9.61,.86,;11.59,-.93,;13.06,-1.4,;13.06,-2.94,;14.2,-3.97,;13.88,-5.48,;12.42,-5.96,;11.27,-4.93,;11.59,-3.42,;10.69,-2.17,;9.15,-2.17,;8.38,-3.51,;9.15,-4.84,;9.92,-6.17,;6.84,-3.51,;6.07,-4.84,;6.07,-2.17,;6.84,-.84,;6.07,.49,;4.53,.49,;3.76,-.84,;4.53,-2.17,;2.22,-.84,;1.45,.49,;2.22,1.83,;-.09,.49,;-1.03,-1.13,;-2.39,-.76,;-3.72,-1.53,;-5.05,-.76,;-5.05,.78,;-3.72,1.55,;-3.72,3.09,;-5.05,3.86,;-6.39,3.09,;-7.72,3.86,;-7.72,5.4,;-9.06,6.17,;-10.39,5.4,;-11.72,6.17,;-13.06,5.4,;-13.06,3.86,;-11.72,3.09,;-10.39,3.86,;-6.39,6.17,;-5.05,5.4,;-3.72,6.17,;-2.39,3.86,;-2.39,5.4,;-1.05,3.09,;-1.05,1.55,;-2.39,.78,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Clc1cc(ccc1Oc1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-2.52,4.16,;-3.86,3.39,;-5.19,4.16,;-6.53,3.39,;-6.53,1.85,;-5.19,1.08,;-3.86,1.85,;-2.52,1.08,;-2.52,-.46,;-3.86,-1.23,;-3.86,-2.77,;-2.52,-3.54,;-1.19,-2.77,;.3,-3.17,;1.29,-1.49,;2.83,-1.49,;3.6,-2.83,;3.6,-.16,;5.14,-.16,;5.91,1.18,;7.45,1.18,;8.22,-.16,;7.45,-1.49,;5.91,-1.49,;8.22,-2.83,;7.45,-4.16,;9.76,-2.83,;10.53,-1.49,;.14,-.46,;.14,1.08,;-1.19,1.85,;-1.19,3.39,;-1.19,-1.23,;-7.86,1.08,;-7.86,-.46,;-9.19,-1.23,;-10.53,-.46,;-10.53,1.08,;-9.19,1.85,)|
CC(C)Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)C4CCCC4)c(=O)[nH]c1c23 |r|
Cc1cc(OC2CCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:24.25,(-1.97,3.85,;-3.31,3.08,;-4.64,3.85,;-5.97,3.08,;-7.31,3.85,;-8.64,3.08,;-10.05,3.71,;-11.08,2.56,;-10.31,1.23,;-8.8,1.55,;-5.97,1.54,;-4.64,.77,;-3.31,1.54,;-1.97,.77,;-1.97,-.77,;-3.31,-1.54,;-3.31,-3.08,;-1.97,-3.85,;-.64,-3.08,;.85,-3.48,;1.84,-1.8,;3.38,-1.8,;4.15,-3.13,;4.15,-.47,;5.69,-.47,;6.46,-1.8,;8,-1.8,;8.77,-.47,;8,.87,;6.46,.87,;8.77,2.2,;8,3.53,;10.31,2.2,;11.08,.87,;.69,-.77,;.69,.77,;-.64,1.54,;-.64,3.08,;-.64,-1.54,)|
Cc1cnc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-2.47,4.17,;-3.86,3.37,;-5.19,4.14,;-6.53,3.37,;-6.53,1.83,;-5.19,1.06,;-3.86,1.83,;-2.52,1.06,;-2.52,-.48,;-3.86,-1.25,;-3.86,-2.79,;-2.52,-3.56,;-1.19,-2.79,;.3,-3.18,;1.29,-1.51,;2.83,-1.51,;3.6,-2.84,;3.6,-.17,;5.14,-.17,;5.91,1.16,;7.45,1.16,;8.22,-.17,;7.45,-1.51,;5.91,-1.51,;8.22,-2.84,;7.45,-4.17,;9.76,-2.84,;10.53,-1.51,;.14,-.48,;.14,1.06,;-1.19,1.83,;-1.19,3.37,;-1.19,-1.25,;-7.86,1.06,;-7.86,-.48,;-9.19,-1.25,;-10.53,-.48,;-10.53,1.06,;-9.19,1.83,)|
CC(C)OCCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.25,(-12.53,2.31,;-11.19,3.08,;-11.19,4.62,;-9.86,2.31,;-8.53,3.08,;-7.19,2.31,;-5.86,3.08,;-4.53,2.31,;-4.53,.77,;-3.19,,;-1.86,.77,;-1.86,2.31,;-.52,3.08,;-3.19,3.08,;-.52,,;-.52,-1.54,;-1.86,-2.31,;-1.86,-3.85,;-.52,-4.62,;.81,-3.85,;2.3,-4.25,;3.29,-2.57,;4.83,-2.57,;5.6,-3.9,;5.6,-1.24,;7.14,-1.24,;7.91,-2.57,;9.45,-2.57,;10.22,-1.24,;9.45,.1,;7.91,.1,;10.22,1.43,;9.45,2.76,;11.76,1.43,;12.53,2.76,;2.14,-1.54,;2.14,,;.81,.77,;.81,2.31,;.81,-2.31,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.02,-.5,;-3.02,1.04,;-4.35,1.81,;-4.35,3.35,;-5.68,4.12,;-7.02,3.35,;-8.35,4.12,;-9.68,3.35,;-9.68,1.81,;-8.35,1.04,;-7.02,1.81,;-3.02,4.12,;-1.68,3.35,;-1.68,1.81,;-.35,1.04,;-.35,-.5,;-1.68,-1.27,;-1.68,-2.81,;-.35,-3.58,;.99,-2.81,;2.47,-3.21,;3.46,-1.54,;5,-1.54,;5.77,-.2,;5.77,-2.87,;7.31,-2.87,;8.22,-1.62,;9.68,-2.1,;9.68,-3.64,;8.22,-4.12,;2.32,-.5,;2.32,1.04,;.99,1.81,;.99,3.35,;.99,-1.27,)|
CN(C)C\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)c(Cl)c4)c(=O)[nH]c1c23 |r|
CC(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Fc1cccc(-c2cccc(c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCNC5)c([nH]c2=O)c34)c1F |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4N)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.35,4.85,;-1.68,4.08,;-3.02,4.85,;-4.35,4.08,;-5.68,4.85,;-7.02,4.08,;-8.35,4.85,;-9.68,4.08,;-9.68,2.54,;-8.35,1.77,;-7.02,2.54,;-4.35,2.54,;-3.02,1.77,;-1.68,2.54,;-.35,1.77,;-.35,.23,;-1.68,-.54,;-1.68,-2.08,;-.35,-2.85,;.99,-2.08,;2.47,-2.48,;3.46,-.8,;5,-.8,;5.77,.53,;5.77,-2.14,;7.31,-2.14,;8.22,-.89,;9.68,-1.37,;9.68,-2.91,;8.22,-3.38,;7.74,-4.85,;2.32,.23,;2.32,1.77,;.99,2.54,;.99,4.08,;.99,-.54,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccn4)c(=O)[nH]c1c23 |r|
CN1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)-c4cccc(F)c4F)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-3.37,-.77,;-3.37,.77,;-4.7,1.54,;-4.7,3.08,;-6.04,3.85,;-7.37,3.08,;-7.37,1.54,;-8.71,.77,;-10.04,1.54,;-10.04,3.08,;-8.71,3.85,;-3.37,3.85,;-2.04,3.08,;-2.04,1.54,;-.7,.77,;-.7,-.77,;-2.04,-1.54,;-2.04,-3.08,;-.7,-3.85,;.63,-3.08,;2.12,-3.48,;3.11,-1.8,;4.65,-1.8,;5.42,-3.13,;5.42,-.47,;6.96,-.47,;7.73,.87,;9.27,.87,;10.04,-.47,;9.27,-1.8,;7.73,-1.8,;1.96,-.77,;1.96,.77,;.63,1.54,;.63,3.08,;.63,-1.54,)|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.98,-.41,;-2.98,1.13,;-4.32,1.9,;-4.32,3.44,;-5.65,4.21,;-6.98,3.44,;-8.32,4.21,;-9.65,3.44,;-9.65,1.9,;-8.32,1.13,;-6.98,1.9,;-2.98,4.21,;-1.65,3.44,;-1.65,1.9,;-.31,1.13,;-.31,-.41,;-1.65,-1.18,;-1.65,-2.72,;-.31,-3.49,;1.02,-2.72,;2.51,-3.12,;3.43,-1.63,;4.97,-1.63,;5.74,-.3,;5.74,-2.97,;7.28,-2.97,;8.19,-1.72,;9.65,-2.2,;9.65,-3.74,;8.19,-4.21,;2.35,-.41,;2.35,1.13,;1.02,1.9,;1.02,3.44,;1.02,-1.18,)|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.9,-.33,;-2.9,1.21,;-4.24,1.98,;-4.24,3.52,;-5.57,4.29,;-6.91,3.52,;-8.24,4.29,;-9.57,3.52,;-9.57,1.98,;-8.24,1.21,;-6.91,1.98,;-2.9,4.29,;-1.57,3.52,;-1.57,1.98,;-.24,1.21,;-.24,-.33,;-1.57,-1.1,;-1.57,-2.64,;-.24,-3.41,;1.1,-2.64,;2.58,-3.04,;3.35,-1.71,;4.89,-1.71,;5.66,-.37,;5.66,-3.04,;7.2,-3.04,;8.11,-1.8,;9.57,-2.27,;9.57,-3.81,;8.11,-4.29,;2.43,-.33,;2.43,1.21,;1.1,1.98,;1.1,3.52,;1.1,-1.1,)|
O[C@@H]1CN(C[C@@H]1NC(=O)c1sc2nccc3n(-c4ccnc(c4)-c4ccccc4)c(=O)[nH]c1c23)C(=O)C=C |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCCC4)c(=O)[nH]c1c23 |r|
CC(C)Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(NC1CCCNC1)c1sc2nccc3n(-c4cc(ncn4)-c4ccccc4)c(=O)[nH]c1c23
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-1.34,3.85,;-2.67,3.08,;-4,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,;-6.67,.77,;-8.01,1.54,;-9.34,.77,;-9.34,-.77,;-8.01,-1.54,;-6.67,-.77,)|
CC(C)c1cc(ccn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.94,-.4,;-2.94,1.14,;-4.27,1.91,;-4.27,3.45,;-5.61,4.22,;-6.94,3.45,;-8.27,4.22,;-9.61,3.45,;-9.61,1.91,;-8.27,1.14,;-6.94,1.91,;-2.94,4.22,;-1.61,3.45,;-1.61,1.91,;-.27,1.14,;-.27,-.4,;-1.61,-1.17,;-1.61,-2.71,;-.27,-3.48,;1.06,-2.71,;2.55,-2.93,;3.39,-1.64,;4.93,-1.64,;5.7,-.3,;5.7,-2.97,;7.24,-2.97,;8.14,-1.73,;9.61,-2.2,;9.61,-3.74,;8.14,-4.22,;2.4,-.4,;2.4,1.14,;1.06,1.91,;1.06,3.45,;1.06,-1.17,)|
Cc1cnc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23)-c1ccccc1 |r,wD:18.18,(-1.34,3.85,;-2.67,3.08,;-4,3.85,;-5.34,3.08,;-5.34,1.54,;-4,.77,;-2.67,1.54,;-1.34,.77,;-1.34,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.34,-3.85,;-0,-3.08,;1.48,-3.48,;2.41,-2,;3.95,-2,;4.72,-3.33,;4.72,-.66,;6.26,-.66,;7.03,.67,;8.57,.67,;9.34,-.66,;8.57,-2,;7.03,-2,;1.33,-.77,;1.33,.77,;-0,1.54,;-0,3.08,;-0,-1.54,;-6.67,.77,;-8.01,1.54,;-9.34,.77,;-9.34,-.77,;-8.01,-1.54,;-6.67,-.77,)|
CC(C)OCCOc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-11.32,2.31,;-9.98,3.08,;-9.98,4.62,;-8.65,2.31,;-7.32,3.08,;-5.98,2.31,;-4.65,3.08,;-3.32,2.31,;-3.32,.77,;-1.98,,;-.65,.77,;-.65,2.31,;.68,3.08,;-1.98,3.08,;.68,,;.68,-1.54,;-.65,-2.31,;-.65,-3.85,;.68,-4.62,;2.02,-3.85,;3.48,-4.33,;4.39,-2.86,;5.93,-2.86,;6.7,-4.2,;6.7,-1.53,;8.24,-1.53,;9.01,-2.86,;10.55,-2.86,;11.32,-1.53,;10.55,-.2,;9.01,-.2,;3.35,-1.54,;3.35,,;2.02,.77,;2.02,2.31,;2.02,-2.31,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccnc(c4)C4CCCCC4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.31,;-8.75,5.54,;-8.75,4,;-7.42,6.31,;-6.09,5.54,;-4.75,6.31,;-3.42,5.54,;-3.42,4,;-4.75,3.23,;-4.75,1.69,;-6.09,4,;-2.09,3.23,;-2.09,1.69,;-3.42,.92,;-3.42,-.62,;-2.09,-1.39,;-.75,-.62,;.71,-1.1,;1.62,.36,;3.16,.36,;3.93,1.7,;3.93,-.97,;5.47,-.97,;6.24,.36,;7.78,.36,;8.55,-.97,;7.78,-2.3,;6.24,-2.3,;8.55,-3.64,;10.09,-3.64,;7.78,-4.97,;8.55,-6.31,;.58,1.69,;.58,3.23,;-.75,4,;-.75,5.54,;-.75,.92,)|
Cc1c(ccnc1-c1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-3.98,-.77,;-3.98,.77,;-2.65,1.54,;-2.65,3.08,;-3.98,3.85,;-5.32,3.08,;-5.32,1.54,;-6.65,.77,;-7.98,1.54,;-9.32,.77,;-9.32,-.77,;-7.98,-1.54,;-6.65,-.77,;-1.32,.77,;-1.32,-.77,;-2.65,-1.54,;-2.65,-3.08,;-1.32,-3.85,;.02,-3.08,;1.48,-3.56,;2.39,-2.09,;3.93,-2.09,;4.7,-3.43,;4.7,-.76,;6.24,-.76,;7.01,.57,;8.55,.57,;9.32,-.76,;8.55,-2.09,;7.01,-2.09,;1.35,-.77,;1.35,.77,;.02,1.54,;.02,3.08,;.02,-1.54,)|
Cc1cc(cc(n1)-c1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(cc(n1)-c1ccccc1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23
Cc1c(ccnc1-c1ccccc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-5.12,-.36,;-5.12,1.18,;-3.78,1.95,;-3.78,3.49,;-5.12,4.26,;-6.45,3.49,;-6.45,1.95,;-7.78,1.18,;-9.12,1.95,;-10.45,1.18,;-10.45,-.36,;-9.12,-1.13,;-7.78,-.36,;-2.45,1.18,;-2.45,-.36,;-3.78,-1.13,;-3.78,-2.67,;-2.45,-3.44,;-1.12,-2.67,;.37,-2.89,;1.21,-1.59,;2.75,-1.59,;3.52,-2.93,;3.52,-.26,;5.06,-.26,;5.83,1.07,;7.37,1.07,;8.14,-.26,;7.37,-1.59,;5.83,-1.59,;8.14,-2.93,;7.37,-4.26,;9.68,-2.93,;10.45,-1.59,;.22,-.36,;.22,1.18,;-1.12,1.95,;-1.12,3.49,;-1.12,-1.13,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cccc(c4)C4CCOCC4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cnnc(c4)-c4ccccc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)OC(C)(C)C)c([nH]c1=O)c23 |r,wD:25.26,(-5.27,-.43,;-5.27,1.11,;-6.6,1.88,;-6.6,3.42,;-7.93,4.19,;-9.27,3.42,;-10.6,4.19,;-11.94,3.42,;-11.94,1.88,;-10.6,1.11,;-9.27,1.88,;-5.27,4.19,;-3.93,3.42,;-3.93,1.88,;-2.6,1.11,;-2.6,-.43,;-3.93,-1.2,;-3.93,-2.74,;-2.6,-3.51,;-1.27,-2.74,;.22,-3.14,;1.16,-1.52,;2.7,-1.52,;3.47,-2.85,;3.47,-.19,;5.01,-.19,;5.78,1.15,;7.32,1.15,;8.09,-.19,;7.32,-1.52,;5.78,-1.52,;8.09,-2.85,;7.32,-4.19,;9.63,-2.85,;10.4,-1.52,;11.17,-.19,;9.63,-.19,;11.94,-1.52,;.07,-.43,;.07,1.11,;-1.27,1.88,;-1.27,3.42,;-1.27,-1.2,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(OC5CCC5)nc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.47,.9,;-4.47,2.48,;-5.81,3.25,;-5.81,4.8,;-7.14,5.57,;-8.47,4.8,;-9.81,5.57,;-11.14,4.8,;-11.14,3.25,;-9.81,2.48,;-8.47,3.25,;-4.47,5.57,;-3.14,4.8,;-3.14,3.25,;-1.8,2.48,;-1.8,.94,;-3.14,.17,;-3.14,-1.37,;-1.8,-2.14,;-.47,-1.37,;.99,-1.84,;1.9,-.23,;3.44,-.23,;4.21,1.1,;4.21,-1.56,;5.75,-1.56,;6.52,-.23,;8.06,-.23,;8.83,-1.56,;8.06,-2.9,;6.52,-2.9,;8.83,-4.23,;8.06,-5.57,;10.37,-4.23,;11.14,-2.9,;.86,.94,;.86,2.48,;-.47,3.25,;-.47,4.8,;-.47,.17,)|
CC(C)Cc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.96,3.85,;-9.63,3.08,;-9.63,1.54,;-8.3,3.85,;-6.96,3.08,;-6.96,1.54,;-5.63,.77,;-5.63,-.81,;-4.29,1.54,;-4.29,3.08,;-5.63,3.85,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-1.95,;2.28,-1.95,;3.05,-3.28,;3.05,-.61,;4.59,-.61,;5.5,.63,;6.96,.16,;6.96,-1.38,;5.5,-1.86,;8.3,-2.15,;8.3,-3.69,;9.63,-1.38,;10.96,-2.15,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ncc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
CC(C)Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:29.32,(-5.1,-.45,;-5.1,1.09,;-6.43,1.86,;-6.43,3.4,;-7.77,4.17,;-9.1,3.4,;-10.43,4.17,;-11.77,3.4,;-11.77,1.86,;-10.43,1.09,;-9.1,1.86,;-5.1,4.17,;-3.77,3.4,;-3.77,1.86,;-2.43,1.09,;-2.43,-.45,;-3.77,-1.22,;-3.77,-2.76,;-2.43,-3.53,;-1.1,-2.76,;.26,-3.13,;1.19,-1.51,;2.73,-1.51,;3.5,-.17,;3.5,-2.84,;5.04,-2.84,;5.95,-4.09,;7.41,-3.61,;7.41,-2.07,;5.95,-1.59,;5.47,-.13,;6.5,1.02,;6.03,2.48,;8.01,.7,;8.49,-.77,;.23,-.45,;.23,1.09,;-1.1,1.86,;-1.1,3.4,;-1.1,-1.22,)|
CC(C)Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cc(cnn4)-c4ccccc4)c(=O)[nH]c1c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:23.23,(-8.65,5,;-8.65,3.46,;-9.98,2.69,;-7.32,2.69,;-5.98,3.46,;-4.65,2.69,;-3.32,3.46,;-1.98,2.69,;-.65,3.46,;-1.98,1.15,;-3.32,.38,;-4.65,1.15,;-.65,.38,;-.65,-1.16,;-1.98,-1.93,;-1.98,-3.47,;-.65,-4.24,;.68,-3.47,;2.15,-3.94,;3.05,-2.33,;4.59,-2.33,;5.36,-1,;5.36,-3.67,;6.9,-3.67,;7.67,-2.33,;9.21,-2.33,;9.98,-3.67,;9.21,-5,;7.67,-5,;2.02,-1.16,;2.02,.38,;.68,1.15,;.68,2.69,;.68,-1.93,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-.74,4.41,;-2.08,3.64,;-3.41,4.41,;-4.74,3.64,;-6.08,4.41,;-7.41,3.64,;-8.75,4.41,;-9.89,3.38,;-9.26,1.98,;-7.73,2.14,;-4.74,2.1,;-3.41,1.33,;-2.08,2.1,;-.74,1.33,;-.74,-.21,;-2.08,-.98,;-2.08,-2.52,;-.74,-3.29,;.59,-2.52,;2.05,-2.99,;2.96,-1.75,;4.5,-1.75,;5.27,-.41,;5.27,-3.08,;6.81,-3.08,;7.58,-1.75,;9.12,-1.75,;9.89,-3.08,;9.12,-4.41,;7.58,-4.41,;1.92,-.21,;1.92,1.33,;.59,2.1,;.59,3.64,;.59,-.98,)|
CC(C)Cc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.09,6.41,;-8.75,5.64,;-8.75,4.1,;-7.42,6.41,;-6.09,5.64,;-6.09,4.1,;-4.75,3.33,;-3.42,4.1,;-3.42,5.64,;-2.09,6.41,;-4.75,6.41,;-2.09,3.33,;-2.09,1.79,;-3.42,1.02,;-3.42,-.52,;-2.09,-1.29,;-.75,-.52,;.71,-.99,;1.62,.25,;3.16,.25,;3.93,1.59,;3.93,-1.08,;5.47,-1.08,;6.24,.25,;7.78,.25,;8.55,-1.08,;7.78,-2.41,;6.24,-2.41,;8.55,-3.75,;10.09,-3.75,;7.78,-5.08,;8.55,-6.41,;.58,1.79,;.58,3.33,;-.75,4.1,;-.75,5.64,;-.75,1.02,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(CC(C)C)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(10.47,-5.75,;9.7,-4.41,;8.16,-4.41,;7.39,-5.75,;7.39,-3.08,;8.16,-1.75,;7.39,-.41,;5.85,-.41,;5.08,-1.75,;5.85,-3.08,;3.54,-1.75,;2.77,-.41,;3.54,.92,;1.23,-.41,;.33,-1.66,;-1.14,-1.18,;-2.47,-1.95,;-3.8,-1.18,;-3.8,.36,;-2.47,1.13,;-2.47,2.67,;-3.8,3.44,;-3.8,4.98,;-5.14,5.75,;-6.47,4.98,;-7.81,5.75,;-9.14,4.98,;-10.47,5.75,;-9.14,3.44,;-6.47,3.44,;-5.14,2.67,;-5.14,1.13,;-1.14,3.44,;-1.14,4.98,;.2,2.67,;.2,1.13,;-1.14,.36,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.14,4.21,;-9.81,4.98,;-9.81,6.52,;-8.47,4.21,;-7.14,4.98,;-5.81,4.21,;-4.47,4.98,;-3.14,4.21,;-1.8,4.98,;-3.14,2.67,;-4.47,1.9,;-5.81,2.67,;-1.8,1.9,;-1.8,.36,;-3.14,-.41,;-3.14,-1.95,;-1.8,-2.72,;-.47,-1.95,;.99,-2.43,;1.9,-1.18,;3.44,-1.18,;4.21,.15,;4.21,-2.52,;5.75,-2.52,;6.52,-1.18,;8.06,-1.18,;8.83,-2.52,;8.06,-3.85,;6.52,-3.85,;8.83,-5.18,;8.06,-6.52,;10.37,-5.18,;11.14,-6.52,;.86,.36,;.86,1.9,;-.47,2.67,;-.47,4.21,;-.47,-.41,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.9,5.75,;-3.23,4.98,;-4.57,5.75,;-5.9,4.98,;-7.23,5.75,;-8.57,4.98,;-9.9,5.75,;-11.05,4.72,;-10.42,3.31,;-8.89,3.47,;-5.9,3.44,;-4.57,2.67,;-3.23,3.44,;-1.9,2.67,;-1.9,1.13,;-3.23,.36,;-3.23,-1.18,;-1.9,-1.95,;-.56,-1.18,;.9,-1.66,;1.81,-.41,;3.35,-.41,;4.12,.92,;4.12,-1.75,;5.66,-1.75,;6.43,-.41,;7.97,-.41,;8.73,-1.75,;7.97,-3.08,;6.43,-3.08,;8.73,-4.41,;7.97,-5.75,;10.28,-4.41,;11.05,-5.75,;.77,1.13,;.77,2.67,;-.56,3.44,;-.56,4.98,;-.56,.36,)|
Cc1nc(OC2CCOCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.42,6.41,;-2.75,5.64,;-4.09,6.41,;-5.42,5.64,;-6.75,6.41,;-8.09,5.64,;-9.42,6.41,;-10.75,5.64,;-10.75,4.1,;-9.42,3.33,;-8.09,4.1,;-5.42,4.1,;-4.09,3.33,;-2.75,4.1,;-1.42,3.33,;-1.42,1.79,;-2.75,1.02,;-2.75,-.52,;-1.42,-1.29,;-.09,-.52,;1.38,-.99,;2.28,.25,;3.82,.25,;4.59,1.59,;4.59,-1.08,;6.13,-1.08,;6.9,.25,;8.44,.25,;9.21,-1.08,;8.44,-2.41,;6.9,-2.41,;9.21,-3.75,;10.75,-3.75,;8.44,-5.08,;9.21,-6.41,;1.25,1.79,;1.25,3.33,;-.09,4.1,;-.09,5.64,;-.09,1.02,)|
Cc1ncccc1Oc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,(-11.81,3.85,;-10.47,3.08,;-10.47,1.54,;-9.14,.77,;-7.81,1.54,;-7.81,3.08,;-6.47,3.85,;-5.14,3.08,;-5.14,1.54,;-3.8,.77,;-2.47,1.54,;-2.47,3.08,;-1.14,3.85,;-3.8,3.85,;-1.14,.77,;-1.14,-.77,;-2.47,-1.54,;-2.47,-3.08,;-1.14,-3.85,;.2,-3.08,;1.66,-3.56,;2.57,-2.31,;4.11,-2.31,;4.88,-3.64,;4.88,-.98,;6.42,-.98,;7.19,-2.31,;8.73,-2.31,;9.5,-.98,;8.73,.36,;7.19,.36,;9.5,1.69,;8.73,3.02,;11.04,1.69,;11.81,3.02,;1.53,-.77,;1.53,.77,;.2,1.54,;.2,3.08,;.2,-1.54,;-9.14,3.85,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)n1 |r|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-2.22,5.29,;-3.56,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.3,5.15,;-11.33,4,;-10.56,2.67,;-9.05,2.99,;-6.22,2.98,;-4.89,2.21,;-3.56,2.98,;-2.22,2.21,;-2.22,.67,;-3.56,-.1,;-3.56,-1.64,;-2.22,-2.41,;-.89,-1.64,;.48,-2.24,;1.21,-.74,;2.75,-.75,;3.52,.58,;3.52,-2.08,;5.06,-2.08,;5.97,-.84,;7.43,-1.31,;7.43,-2.85,;5.97,-3.33,;8.68,-3.76,;8.52,-5.29,;10.08,-3.13,;11.33,-4.04,;.44,.67,;.44,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|
Fc1ccccc1Oc1ccc(nc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.69,3.81,;-10.35,4.58,;-10.35,6.12,;-9.02,3.81,;-7.69,4.58,;-6.35,3.81,;-5.02,4.58,;-3.68,3.81,;-2.35,4.58,;-3.68,2.27,;-5.02,1.5,;-6.35,2.27,;-2.35,1.5,;-2.35,-.04,;-3.68,-.81,;-3.68,-2.35,;-2.35,-3.12,;-1.02,-2.35,;.36,-2.95,;1.09,-1.45,;2.63,-1.46,;3.4,-.13,;3.39,-2.8,;4.93,-2.8,;6.02,-1.3,;7.77,-1.87,;7.77,-3.72,;6.02,-4.29,;9.02,-4.62,;8.65,-6.12,;10.35,-3.85,;11.69,-4.62,;.32,-.04,;.32,1.5,;-1.02,2.27,;-1.02,3.81,;-1.02,-.81,)|
O=C(CCCC[C@H]1SC[C@H]2NC(=O)NC12)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NC\C=C\C(=O)N1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=CC4(C)COC4)C#N)c([nH]c1=O)c23 |r,w:34.37,wD:25.26,(-3.53,6.36,;-4.86,5.59,;-6.2,6.36,;-7.53,5.59,;-8.86,6.36,;-10.2,5.59,;-11.53,6.36,;-12.86,5.59,;-12.86,4.05,;-11.53,3.28,;-10.2,4.05,;-7.53,4.05,;-6.2,3.28,;-4.86,4.05,;-3.53,3.28,;-3.53,1.74,;-4.86,.97,;-4.86,-.57,;-3.53,-1.34,;-2.19,-.57,;-.82,-1.18,;-.09,.32,;1.45,.31,;2.22,1.65,;2.22,-1.02,;3.76,-1.02,;4.53,.31,;6.07,.31,;6.84,-1.02,;6.07,-2.35,;4.53,-2.35,;6.84,-3.69,;6.07,-5.02,;8.38,-3.69,;9.15,-2.35,;10.69,-2.35,;10.29,-.87,;11.78,-3.44,;12.86,-2.35,;11.78,-1.27,;9.15,-5.02,;9.92,-6.36,;-.86,1.74,;-.86,3.28,;-2.19,4.05,;-2.19,5.59,;-2.19,.97,)|
Cc1ccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)cn1 |r,wD:24.24,(-11.67,1.27,;-10.34,2.04,;-10.34,3.58,;-9.01,4.35,;-7.67,3.58,;-6.34,4.35,;-5,3.58,;-5,2.04,;-3.67,1.27,;-2.34,2.04,;-2.34,3.58,;-1,4.35,;-3.67,4.35,;-1,1.27,;-1,-.27,;-2.34,-1.04,;-2.34,-2.58,;-1,-3.35,;.33,-2.58,;1.7,-3.18,;2.43,-1.68,;3.97,-1.69,;4.74,-3.02,;4.74,-.35,;6.28,-.35,;7.05,.98,;8.59,.98,;9.36,-.35,;8.59,-1.69,;7.05,-1.69,;9.36,-3.02,;8.59,-4.35,;10.9,-3.02,;11.67,-4.35,;1.66,-.27,;1.66,1.27,;.33,2.04,;.33,3.58,;.33,-1.04,;-7.67,2.04,;-9.01,1.27,)|
Cc1cc(O[C@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:5.4,24.25,(-1.79,4.35,;-3.12,3.58,;-4.45,4.35,;-5.79,3.58,;-7.12,4.35,;-8.45,3.58,;-9.86,4.21,;-10.89,3.07,;-10.12,1.73,;-8.61,2.05,;-5.79,2.04,;-4.45,1.27,;-3.12,2.04,;-1.79,1.27,;-1.79,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.79,-3.35,;-.45,-2.58,;.92,-3.18,;1.65,-1.68,;3.19,-1.69,;3.96,-3.02,;3.96,-.35,;5.5,-.35,;6.27,.98,;7.81,.98,;8.58,-.35,;7.81,-1.69,;6.27,-1.69,;8.58,-3.02,;7.81,-4.35,;10.12,-3.02,;10.89,-1.69,;.88,-.27,;.88,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)|
Cc1ccc(Oc2ccc(cc2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCCN(C5)C(=O)C=C)c([nH]c2=O)c34)nc1 |r|
Cc1cc(O[C@@H]2CCOC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:5.4,24.25,(-1.68,4.35,;-3.01,3.58,;-4.34,4.35,;-5.68,3.58,;-7.01,4.35,;-8.35,3.58,;-8.51,2.05,;-10.01,1.73,;-10.78,3.07,;-9.75,4.21,;-5.68,2.04,;-4.34,1.27,;-3.01,2.04,;-1.68,1.27,;-1.68,-.27,;-3.01,-1.04,;-3.01,-2.58,;-1.68,-3.35,;-.34,-2.58,;1.03,-3.18,;1.76,-1.68,;3.3,-1.69,;4.07,-3.02,;4.07,-.35,;5.39,-.35,;6.16,.98,;7.7,.98,;8.47,-.35,;7.7,-1.69,;6.16,-1.69,;8.47,-3.02,;7.7,-4.35,;10.01,-3.02,;10.78,-1.69,;.99,-.27,;.99,1.27,;-.34,2.04,;-.34,3.58,;-.34,-1.04,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(CN[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:21.21,(-10.57,5.78,;-9.24,5.01,;-9.24,3.47,;-7.9,5.78,;-6.57,5.02,;-5.23,5.79,;-3.9,5.02,;-2.57,5.78,;-3.91,3.48,;-5.23,2.7,;-6.57,3.48,;-2.58,2.7,;-2.58,1.16,;-3.91,.39,;-3.91,-1.15,;-2.58,-1.92,;-1.24,-1.15,;.24,-1.55,;1.33,-.46,;2.87,-.46,;3.64,-1.79,;5.18,-1.79,;5.95,-.46,;7.49,-.46,;8.26,-1.79,;7.49,-3.12,;5.95,-3.12,;8.26,-4.46,;7.49,-5.79,;9.8,-4.46,;10.57,-5.79,;.09,1.16,;.09,2.7,;-1.24,3.47,;-1.24,5.01,;-1.24,.39,)|
Cc1cc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-2.74,4.43,;-4.07,3.67,;-5.41,4.43,;-6.74,3.67,;-8.08,4.43,;-9.41,3.67,;-9.41,2.13,;-10.74,1.35,;-12.08,2.13,;-12.08,3.67,;-10.74,4.43,;-6.74,2.13,;-5.41,1.35,;-4.07,2.13,;-2.74,1.35,;-2.74,-.19,;-4.07,-.96,;-4.07,-2.5,;-2.74,-3.26,;-1.41,-2.5,;-.03,-3.1,;.7,-1.6,;2.24,-1.61,;3.01,-.27,;3,-2.94,;4.54,-2.94,;5.63,-4.43,;7.38,-3.86,;7.38,-2.02,;5.63,-1.45,;8.88,-.93,;8.78,.91,;10.48,-1.86,;12.08,-.93,;-.07,-.19,;-.07,1.35,;-1.41,2.13,;-1.41,3.67,;-1.41,-.96,)|
C=CC(=O)N1CCC[C@H](C1)NCc1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCOC4)c([nH]c1=O)c23 |r,wD:25.26,(-2.83,-.77,;-2.83,.77,;-4.16,1.54,;-4.16,3.08,;-5.5,3.85,;-6.83,3.08,;-8.16,3.85,;-9.5,3.08,;-9.5,1.54,;-8.16,.77,;-6.83,1.54,;-2.83,3.85,;-1.49,3.08,;-1.49,1.54,;-.16,.77,;-.16,-.77,;-1.49,-1.54,;-1.49,-3.08,;-.16,-3.85,;1.17,-3.08,;2.55,-3.68,;3.28,-2.18,;4.82,-2.19,;5.58,-3.53,;5.59,-.86,;7.13,-.86,;8.03,.39,;9.5,-.09,;9.5,-1.63,;8.03,-2.1,;2.51,-.77,;2.51,.77,;1.17,1.54,;1.17,3.08,;1.17,-1.54,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-7.85,1.54,;-7.85,3.08,;-9.18,3.85,;-6.52,3.85,;-5.18,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;-2.52,1.54,;-3.85,.77,;-5.18,1.54,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;1.53,-3.68,;2.25,-2.18,;3.79,-2.19,;4.56,-3.53,;4.56,-.86,;6.1,-.86,;6.87,.48,;8.41,.48,;9.18,-.86,;8.41,-2.19,;6.87,-2.19,;1.48,-.77,;1.48,.77,;.15,1.54,;.15,3.08,;.15,-1.54,)|
C=CC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(N4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-1.28,3.85,;-2.62,3.08,;-3.95,3.85,;-5.29,3.08,;-6.62,3.85,;-7.95,3.08,;-9.29,3.85,;-10.62,3.08,;-10.62,1.54,;-9.29,.77,;-7.95,1.54,;-5.29,1.54,;-3.95,.77,;-2.62,1.54,;-1.28,.77,;-1.28,-.77,;-2.62,-1.54,;-2.62,-3.08,;-1.28,-3.85,;.05,-3.08,;1.42,-3.68,;2.15,-2.18,;3.69,-2.19,;4.51,-3.49,;6.05,-3.49,;6.77,-2.19,;5.96,-.88,;4.42,-.88,;8.31,-2.18,;9.06,-.84,;9.08,-3.52,;10.62,-3.52,;1.38,-.77,;1.38,.77,;.05,1.54,;.05,3.08,;.05,-1.54,)|
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:24.25,(-.27,4.31,;-1.61,3.54,;-2.94,4.31,;-4.28,3.54,;-5.61,4.31,;-6.94,3.54,;-8.35,4.17,;-9.38,3.02,;-8.61,1.69,;-7.1,2.01,;-4.28,2,;-2.94,1.23,;-1.61,2,;-.27,1.23,;-.27,-.31,;-1.61,-1.08,;-1.61,-2.62,;-.27,-3.39,;1.06,-2.62,;2.43,-3.22,;3.16,-1.72,;4.7,-1.73,;5.47,-.4,;5.47,-3.07,;7.01,-3.07,;7.92,-1.82,;9.38,-2.3,;9.38,-3.84,;7.92,-4.31,;2.39,-.31,;2.39,1.23,;1.06,2,;1.06,3.54,;1.06,-1.08,)|
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:23.23,(-8.92,5.18,;-8.52,3.69,;-9.61,2.6,;-7.19,2.92,;-5.85,3.69,;-4.52,2.92,;-3.18,3.69,;-1.85,2.92,;-.52,3.69,;-1.85,1.38,;-3.18,.61,;-4.52,1.38,;-.52,.61,;-.52,-.93,;-1.85,-1.7,;-1.85,-3.24,;-.52,-4.01,;.82,-3.24,;2.19,-3.84,;2.92,-2.34,;4.46,-2.35,;5.23,-1.02,;5.23,-3.68,;6.77,-3.68,;7.85,-2.19,;9.61,-2.76,;9.61,-4.61,;7.85,-5.18,;2.15,-.93,;2.15,.61,;.82,1.38,;.82,2.92,;.82,-1.7,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:8.10,(11,.98,;10.23,-.35,;8.69,-.35,;7.92,.98,;7.92,-1.69,;8.69,-3.02,;7.92,-4.35,;6.38,-4.35,;5.61,-3.02,;6.38,-1.69,;4.07,-3.02,;3.31,-1.69,;4.08,-.35,;1.77,-1.68,;1.04,-3.18,;-.34,-2.58,;-1.67,-3.35,;-3,-2.58,;-3,-1.04,;-1.67,-.27,;-1.67,1.27,;-3,2.04,;-4.34,1.27,;-5.67,2.04,;-5.67,3.58,;-7,4.35,;-8.34,3.58,;-8.34,2.04,;-9.67,1.27,;-11,2.04,;-11,3.58,;-9.67,4.35,;-4.34,4.35,;-3,3.58,;-1.67,4.35,;-.34,2.04,;-.34,3.58,;1,1.27,;1,-.27,;-.34,-1.04,)|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4C)c(=O)[nH]c1c23 |r,wU:7.9,(11.08,.31,;9.23,.31,;8.31,1.91,;8.31,-1.29,;9.23,-2.89,;8.31,-4.49,;6.46,-4.49,;5.54,-2.89,;6.46,-1.29,;4,-2.89,;3.23,-1.55,;4,-.22,;1.69,-1.55,;.96,-3.04,;-.41,-2.44,;-1.74,-3.21,;-3.08,-2.44,;-3.08,-.9,;-1.74,-.13,;-1.74,1.41,;-3.08,2.18,;-4.41,1.41,;-5.74,2.18,;-5.74,3.72,;-7.08,4.49,;-8.41,3.72,;-8.41,2.18,;-9.74,1.41,;-11.08,2.18,;-11.08,3.72,;-9.74,4.49,;-4.41,4.49,;-3.08,3.72,;-1.74,4.49,;-.41,2.18,;-.41,3.72,;.92,1.41,;.92,-.13,;-.41,-.9,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-6.23,-.69,;-6.05,.84,;-7.28,1.76,;-7.11,3.29,;-8.34,4.21,;-9.76,3.6,;-10.99,4.52,;-12.4,3.91,;-12.58,2.38,;-11.35,1.46,;-9.93,2.07,;-5.69,3.9,;-4.46,2.98,;-4.63,1.45,;-3.34,.62,;-3.45,-.92,;-4.52,-1.55,;-4.65,-3.09,;-3.31,-3.86,;-1.98,-3.09,;-.6,-3.69,;.13,-2.2,;1.66,-2,;2.43,-.67,;1.6,.63,;3.92,-.51,;4.57,.89,;6.1,1.03,;6.99,-.23,;6.34,-1.63,;4.81,-1.77,;7.23,-2.89,;6.58,-4.29,;8.76,-2.75,;9.65,-4.01,;11.18,-3.87,;12.58,-4.52,;12.44,-2.98,;9.41,-1.35,;10.06,.04,;-.78,-1.24,;-.67,.5,;-1.89,1.33,;-1.82,2.87,;-2.03,-1.74,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C#N)c([nH]c1=O)c23 |(-.85,3.85,;-2.18,3.08,;-3.51,3.85,;-4.85,3.08,;-6.18,3.85,;-7.51,3.08,;-8.85,3.85,;-10.18,3.08,;-10.18,1.54,;-8.85,.77,;-7.51,1.54,;-4.85,1.54,;-3.51,.77,;-2.18,1.54,;-.85,.77,;-.85,-.77,;-2.18,-1.54,;-2.18,-3.08,;-.85,-3.85,;.49,-3.08,;1.86,-3.68,;2.59,-2.18,;4.09,-2.15,;4.86,-.82,;4.09,.51,;6.33,-.82,;7.1,-2.15,;8.64,-2.15,;9.41,-.82,;8.64,.51,;7.1,.51,;9.41,1.85,;10.18,3.18,;1.82,-.77,;1.82,.77,;.49,1.54,;.49,3.08,;.49,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.22,5.69,;-8.88,4.92,;-8.88,3.38,;-7.55,5.69,;-6.22,4.92,;-4.88,5.69,;-3.55,4.92,;-2.22,5.69,;-3.55,3.38,;-4.88,2.61,;-6.22,3.38,;-2.22,2.61,;-2.22,1.07,;-3.55,.3,;-3.55,-1.24,;-2.22,-2.01,;-.88,-1.24,;.49,-1.84,;1.22,-.35,;2.76,-.35,;3.53,.98,;3.53,-1.69,;4.83,-1.69,;5.6,-.35,;7.14,-.35,;7.91,-1.69,;7.14,-3.02,;5.6,-3.02,;7.91,-4.35,;7.14,-5.69,;9.45,-4.35,;10.22,-5.69,;.45,1.07,;.45,2.61,;-.88,3.38,;-.88,4.92,;-.88,.3,)|
CCC(=O)N1CCC(CC1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.37,1.69,;11.14,.36,;10.37,-.98,;11.14,-2.31,;8.83,-.98,;8.06,.36,;6.52,.36,;5.75,-.98,;6.52,-2.31,;8.06,-2.31,;4.21,-.98,;3.44,.36,;3.44,-2.31,;1.9,-2.31,;.99,-3.56,;-.47,-3.08,;-1.8,-3.85,;-3.14,-3.08,;-3.14,-1.54,;-1.8,-.77,;-1.8,.77,;-3.14,1.54,;-4.47,.77,;-5.8,1.54,;-5.8,3.08,;-7.14,3.85,;-8.47,3.08,;-9.81,3.85,;-11.14,3.08,;-11.14,1.54,;-9.81,.77,;-8.47,1.54,;-4.47,3.85,;-3.14,3.08,;-1.8,3.85,;-.47,1.54,;-.47,3.08,;.86,.77,;.86,-.77,;-.47,-1.54,)|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
CCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(9.21,-6.41,;8.44,-5.08,;9.21,-3.75,;10.75,-3.75,;8.44,-2.41,;9.21,-1.08,;8.44,.25,;6.9,.25,;6.13,-1.08,;6.9,-2.41,;4.59,-1.08,;3.82,.25,;4.59,1.59,;2.28,.25,;1.38,-.99,;-.09,-.52,;-1.42,-1.29,;-2.75,-.52,;-2.75,1.02,;-1.42,1.79,;-1.42,3.33,;-2.75,4.1,;-4.09,3.33,;-5.42,4.1,;-5.42,5.64,;-6.75,6.41,;-8.09,5.64,;-8.09,4.1,;-9.42,3.33,;-10.75,4.1,;-10.75,5.64,;-9.42,6.41,;-4.09,6.41,;-2.75,5.64,;-1.42,6.41,;-.09,4.1,;-.09,5.64,;1.25,3.33,;1.25,1.79,;-.09,1.02,)|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4C)c(=O)[nH]c1c23 |r,wD:7.9,(8.44,-5.75,;9.22,-4.41,;10.76,-4.41,;8.44,-3.08,;9.22,-1.75,;8.44,-.41,;6.9,-.41,;6.13,-1.75,;6.9,-3.08,;4.59,-1.75,;3.82,-.41,;4.59,.92,;2.28,-.41,;1.38,-1.66,;-.09,-1.18,;-1.42,-1.95,;-2.75,-1.18,;-2.75,.36,;-1.42,1.13,;-1.42,2.67,;-2.75,3.44,;-4.09,2.67,;-5.42,3.44,;-5.42,4.98,;-6.75,5.75,;-8.09,4.98,;-8.09,3.44,;-9.42,2.67,;-10.76,3.44,;-10.76,4.98,;-9.42,5.75,;-4.09,5.75,;-2.75,4.98,;-1.42,5.75,;-.09,3.44,;-.09,4.98,;1.25,2.67,;1.25,1.13,;-.09,.36,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccnn5)cc4)c(=O)[nH]c1c23 |r|
CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC5CCOCC5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Cc1ccc(c(C)n1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:22.22,(-8.71,3.97,;-8.71,5.51,;-10.04,6.28,;-7.37,6.28,;-6.04,5.51,;-6.04,3.97,;-4.71,3.2,;-3.37,3.97,;-3.37,5.51,;-2.04,6.28,;-4.71,6.28,;-2.04,3.2,;-2.04,1.66,;-3.37,.89,;-3.37,-.65,;-2.04,-1.42,;-.7,-.65,;.8,-.94,;1.57,.39,;3.11,.39,;3.88,1.73,;3.88,-.94,;5.42,-.94,;6.19,.39,;7.73,.39,;8.5,-.94,;7.73,-2.28,;6.19,-2.28,;8.5,-3.61,;10.04,-3.61,;7.73,-4.94,;8.5,-6.28,;7.73,-7.61,;6.19,-7.61,;8.5,-8.94,;6.96,-8.94,;6.19,-4.94,;4.65,-4.94,;.63,1.66,;.63,3.2,;-.7,3.97,;-.7,5.51,;-.7,.89,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,-2.56,;7.67,-2.56,;8.44,-1.23,;7.67,.1,;6.13,.1,;8.44,1.44,;7.67,2.77,;9.98,1.44,;10.75,2.77,;11.52,4.1,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
CCC(=O)N1CCCC(C1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.75,2.77,;9.98,1.44,;8.44,1.44,;7.67,2.77,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;5.36,-1.23,;6.13,.1,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,.1,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;9.98,-1.23,;10.75,.1,;10.75,-2.56,;9.98,-3.9,;9.22,-5.23,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(NC(=O)C4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-2.19,3.6,;-3.52,2.83,;-4.86,3.6,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-6.19,1.29,;-4.86,.52,;-3.52,1.29,;-2.19,.52,;-2.19,-1.02,;-3.52,-1.79,;-3.52,-3.33,;-2.19,-4.1,;-.86,-3.33,;.61,-3.81,;1.51,-2.56,;3.05,-2.56,;3.82,-1.23,;3.05,.1,;5.36,-1.23,;6.13,.1,;7.67,.1,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;9.98,-1.23,;10.75,.1,;10.75,-2.56,;9.98,-3.9,;.48,-1.02,;.48,.52,;-.86,1.29,;-.86,2.83,;-.86,-1.79,)|
CCN1CCC(CC1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.75,-2.56,;9.98,-1.23,;8.44,-1.23,;7.67,-2.56,;6.13,-2.56,;5.36,-1.23,;6.13,.1,;7.67,.1,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
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CN1CCC(CC1)C(=O)Nc1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.98,-1.23,;8.44,-1.23,;7.67,.1,;6.13,.1,;5.36,-1.23,;6.13,-2.56,;7.67,-2.56,;3.82,-1.23,;3.05,.1,;3.05,-2.56,;1.51,-2.56,;.61,-3.81,;-.86,-3.33,;-2.19,-4.1,;-3.52,-3.33,;-3.52,-1.79,;-2.19,-1.02,;-2.19,.52,;-3.52,1.29,;-4.86,.52,;-6.19,1.29,;-6.19,2.83,;-7.52,3.6,;-8.86,2.83,;-10.19,3.6,;-11.52,2.83,;-11.52,1.29,;-10.19,.52,;-8.86,1.29,;-4.86,3.6,;-3.52,2.83,;-2.19,3.6,;-.86,1.29,;-.86,2.83,;.48,.52,;.48,-1.02,;-.86,-1.79,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-4.33,-1.22,;-3.96,.27,;-5.06,1.34,;-4.69,2.84,;-3.21,3.26,;-2.1,2.19,;-2.48,.7,;-1.37,-.38,;-1.88,-2.14,;-3.21,-2.91,;-3.21,-4.45,;-1.88,-5.22,;-.54,-4.45,;.92,-4.93,;1.83,-3.68,;3.37,-3.68,;4.14,-5.02,;4.14,-2.35,;5.68,-2.35,;6.45,-1.01,;7.99,-1.01,;8.76,-2.35,;7.99,-3.68,;6.45,-3.68,;8.76,-5.02,;7.99,-6.35,;10.3,-5.02,;11.07,-6.35,;12.61,-6.35,;13.94,-7.12,;13.94,-5.58,;11.07,-3.68,;11.84,-2.35,;.92,-2.44,;1.24,-.93,;.1,.1,;.42,1.61,;-.54,-2.91,;-5.8,3.91,;-5.42,5.4,;-7.28,3.48,;-8.38,4.55,;-9.86,4.13,;-10.97,5.2,;-10.6,6.7,;-9.12,7.12,;-8.01,6.05,;-12.45,4.78,;-13.94,4.38,;-12.85,6.27,;-12.05,3.29,)|
Fc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:18.18,(-.62,1.66,;-2.1,1.24,;-3.21,2.31,;-4.69,1.89,;-5.06,.39,;-3.96,-.68,;-2.48,-.25,;-1.37,-1.32,;-1.88,-3.09,;-3.21,-3.86,;-3.21,-5.4,;-1.88,-6.17,;-.54,-5.4,;.92,-5.88,;1.83,-4.63,;3.37,-4.63,;4.14,-5.96,;4.14,-3.3,;5.68,-3.3,;6.45,-4.63,;7.99,-4.63,;8.76,-3.3,;7.99,-1.96,;6.45,-1.96,;8.76,-.63,;7.99,.7,;10.3,-.63,;11.07,.7,;12.61,.7,;13.94,1.47,;13.94,-.07,;11.07,-1.96,;11.84,-3.3,;.92,-3.38,;1.24,-1.88,;.1,-.85,;.42,.66,;-.54,-3.86,;-5.8,2.96,;-5.42,4.45,;-7.28,2.54,;-8.38,3.61,;-9.86,3.18,;-10.97,4.25,;-10.6,5.75,;-9.12,6.17,;-8.01,5.1,;-12.45,3.83,;-13.94,3.43,;-12.85,5.32,;-12.05,2.34,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C#N)c([nH]c1=O)c23 |r,wU:25.26,(-1.59,4.33,;-2.92,3.56,;-4.25,4.33,;-5.59,3.56,;-6.92,4.33,;-8.25,3.56,;-9.59,4.33,;-10.92,3.56,;-10.92,2.02,;-9.59,1.25,;-8.25,2.02,;-5.59,2.02,;-4.25,1.25,;-2.92,2.02,;-1.59,1.25,;-1.59,-.29,;-2.92,-1.06,;-2.92,-2.6,;-1.59,-3.37,;-.25,-2.6,;1.08,-3.19,;2.03,-1.75,;3.57,-1.75,;4.34,-.41,;4.34,-3.08,;5.88,-3.08,;6.79,-4.33,;8.25,-3.85,;8.25,-2.31,;6.79,-1.84,;9.59,-1.54,;10.92,-.77,;1.08,-.29,;1.08,1.25,;-.25,2.02,;-.25,3.56,;-.25,-1.06,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wU:25.26,(-2.81,4.33,;-4.14,3.56,;-5.47,4.33,;-6.81,3.56,;-8.14,4.33,;-9.47,3.56,;-10.81,4.33,;-12.14,3.56,;-12.14,2.02,;-10.81,1.25,;-9.47,2.02,;-6.81,2.02,;-5.47,1.25,;-4.14,2.02,;-2.81,1.25,;-2.81,-.29,;-4.14,-1.06,;-4.14,-2.6,;-2.81,-3.37,;-1.47,-2.6,;-.14,-3.19,;.81,-1.75,;2.35,-1.75,;3.12,-.41,;3.12,-3.08,;4.66,-3.08,;5.57,-4.33,;7.03,-3.85,;7.03,-2.31,;5.57,-1.84,;8.28,-1.41,;8.12,.13,;9.69,-2.03,;10.93,-1.13,;12.14,-.28,;-.14,-.29,;-.14,1.25,;-1.47,2.02,;-1.47,3.56,;-1.47,-1.06,)|
O=C(N[C@@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
COCCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,(12.25,-.89,;11.48,.44,;9.94,.44,;9.17,1.78,;7.63,1.78,;6.86,3.11,;6.86,.44,;7.63,-.89,;6.86,-2.22,;5.32,-2.22,;4.55,-.89,;5.32,.44,;3.01,-.89,;2.24,-2.22,;3.01,-3.56,;.7,-2.22,;-.25,-3.67,;-1.58,-3.08,;-2.92,-3.85,;-4.25,-3.08,;-4.25,-1.54,;-2.92,-.77,;-2.92,.77,;-4.25,1.54,;-5.58,.77,;-6.92,1.54,;-6.92,3.08,;-8.25,3.85,;-9.59,3.08,;-10.92,3.85,;-12.25,3.08,;-12.25,1.54,;-10.92,.77,;-9.59,1.54,;-5.58,3.85,;-4.25,3.08,;-2.92,3.85,;-1.58,1.54,;-1.58,3.08,;-.25,.77,;-.25,-.77,;-1.58,-1.54,)|
Cc1ccc(cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23)-c1cccc(F)c1F |r,wU:18.18,(-1.76,3.85,;-3.1,3.08,;-4.43,3.85,;-5.76,3.08,;-5.76,1.54,;-4.43,.77,;-3.1,1.54,;-1.76,.77,;-1.76,-.77,;-3.1,-1.54,;-3.1,-3.08,;-1.76,-3.85,;-.43,-3.08,;.91,-3.67,;1.86,-2.23,;3.4,-2.23,;4.17,-3.56,;4.17,-.89,;5.71,-.89,;6.48,-2.23,;8.02,-2.23,;8.79,-.89,;8.02,.44,;6.48,.44,;8.79,1.78,;8.02,3.11,;10.33,1.78,;11.1,.44,;.91,-.77,;.91,.77,;-.43,1.54,;-.43,3.08,;-.43,-1.54,;-7.1,.77,;-7.1,-.77,;-8.43,-1.54,;-9.76,-.77,;-9.76,.77,;-11.1,1.54,;-8.43,1.54,;-8.43,3.08,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-3.84,4.19,;-5.18,3.42,;-6.51,4.19,;-7.84,3.42,;-9.18,4.19,;-10.51,3.42,;-11.85,4.19,;-13.18,3.42,;-13.18,1.88,;-11.85,1.11,;-10.51,1.88,;-7.84,1.88,;-6.51,1.11,;-5.18,1.88,;-3.84,1.11,;-3.84,-.43,;-5.18,-1.2,;-5.18,-2.74,;-3.84,-3.51,;-2.51,-2.74,;-1.18,-3.33,;-.22,-1.89,;1.32,-1.89,;2.09,-.55,;2.09,-3.22,;3.63,-3.22,;4.4,-4.55,;5.94,-4.55,;6.71,-3.22,;5.94,-1.89,;4.4,-1.89,;6.71,-.55,;5.94,.78,;8.25,-.55,;9.02,.78,;10.56,.78,;11.33,2.12,;12.86,2.28,;13.18,3.78,;11.85,4.55,;10.7,3.52,;-1.18,-.43,;-1.18,1.11,;-2.51,1.88,;-2.51,3.42,;-2.51,-1.2,)|
C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:35.37,(1.59,2.69,;.26,1.92,;-1.07,2.69,;-2.41,1.92,;-3.74,2.69,;-5.07,1.92,;-5.07,.39,;-6.41,-.38,;-7.74,.39,;-7.74,1.92,;-9.07,2.69,;-10.41,1.92,;-11.74,2.69,;-11.74,4.23,;-13.08,5,;-14.41,4.23,;-14.41,2.69,;-13.08,1.92,;-13.08,.38,;-13.08,-1.16,;-6.41,2.69,;-2.41,.39,;-1.07,-.38,;.26,.39,;1.59,-.38,;1.59,-1.92,;.26,-2.69,;.26,-4.23,;1.59,-5,;2.93,-4.23,;4.26,-4.82,;5.21,-3.38,;6.75,-3.38,;7.52,-4.71,;7.52,-2.05,;9.06,-2.05,;9.97,-3.29,;11.43,-2.82,;11.43,-1.28,;9.97,-.8,;12.52,-.19,;12.12,1.3,;14.01,-.59,;14.41,-2.07,;4.26,-1.92,;4.26,-.38,;2.93,.39,;2.93,1.92,;2.93,-2.69,)|
CN[C@H](C)C(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:10.12,wD:2.2,(11.87,.96,;10.33,.96,;9.56,-.37,;10.33,-1.7,;8.02,-.37,;7.25,.96,;7.25,-1.7,;8.02,-3.04,;7.25,-4.37,;5.71,-4.37,;4.94,-3.04,;5.71,-1.7,;3.4,-3.04,;2.63,-1.7,;3.4,-.37,;1.09,-1.7,;.14,-3.15,;-1.2,-2.56,;-2.53,-3.33,;-3.87,-2.56,;-3.87,-1.02,;-2.53,-.25,;-2.53,1.29,;-3.87,2.06,;-5.2,1.29,;-6.53,2.06,;-6.53,3.6,;-7.87,4.37,;-9.2,3.6,;-10.53,4.37,;-11.87,3.6,;-11.87,2.06,;-10.53,1.29,;-9.2,2.06,;-5.2,4.37,;-3.87,3.6,;-2.53,4.37,;-1.2,2.06,;-1.2,3.6,;.14,1.29,;.14,-.25,;-1.2,-1.02,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)[C@H]4CCN4)c([nH]c1=O)c23 |r,wU:25.26,33.35,(-2.39,4.37,;-3.72,3.6,;-5.05,4.37,;-6.39,3.6,;-7.72,4.37,;-9.05,3.6,;-10.39,4.37,;-11.72,3.6,;-11.72,2.06,;-10.39,1.29,;-9.05,2.06,;-6.39,2.06,;-5.05,1.29,;-3.72,2.06,;-2.39,1.29,;-2.39,-.25,;-3.72,-1.02,;-3.72,-2.56,;-2.39,-3.33,;-1.05,-2.56,;.28,-3.15,;1.23,-1.7,;2.77,-1.7,;3.54,-.37,;3.54,-3.04,;5.08,-3.04,;5.85,-4.37,;7.39,-4.37,;8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;8.16,-.37,;7.39,.96,;9.7,-.37,;10.71,.64,;11.72,-.37,;10.71,-1.38,;.28,-.25,;.28,1.29,;-1.05,2.06,;-1.05,3.6,;-1.05,-1.02,)|
O=C(NC1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:18.18,(-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-9.91,2.1,;-8.58,1.33,;-7.24,2.1,;-5.91,1.33,;-5.91,-.21,;-7.24,-.98,;-7.24,-2.52,;-5.91,-3.29,;-4.57,-2.52,;-3.11,-2.99,;-2.2,-1.75,;-.66,-1.75,;.11,-.41,;.11,-3.08,;1.65,-3.08,;2.42,-4.41,;3.96,-4.41,;4.73,-3.08,;3.96,-1.75,;2.42,-1.75,;4.73,-.41,;3.96,.92,;6.27,-.41,;7.04,-1.75,;8.58,-1.75,;9.91,-2.52,;9.91,-.98,;7.04,.92,;7.81,2.25,;-3.24,-.21,;-3.24,1.33,;-4.57,2.1,;-4.57,3.64,;-4.57,-.98,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5cccc(COc6ccccc6C#N)c5)cc4C)c(=O)[nH]c1c23 |(14.09,-2.13,;12.55,-2.13,;11.78,-3.46,;10.24,-3.46,;9.47,-2.13,;10.24,-.8,;11.78,-.8,;7.93,-2.13,;7.16,-3.46,;7.93,-4.8,;5.62,-3.46,;4.71,-4.71,;3.25,-4.23,;1.92,-5.01,;.58,-4.23,;.58,-2.69,;1.92,-1.92,;1.92,-.38,;.58,.39,;-.75,-.38,;-2.09,.39,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.39,;-6.09,-.38,;-7.42,.39,;-7.42,1.93,;-8.75,2.7,;-10.09,1.93,;-11.42,2.7,;-11.42,4.24,;-12.76,5.01,;-14.09,4.24,;-14.09,2.7,;-12.76,1.93,;-12.76,.39,;-12.76,-1.15,;-6.09,2.7,;-.75,2.7,;.58,1.93,;1.92,2.7,;3.25,.39,;3.25,1.93,;4.58,-.38,;4.58,-1.92,;3.25,-2.69,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-12.58,5.01,;-11.24,4.24,;-11.24,2.7,;-12.58,1.93,;-12.58,.39,;-11.24,-.39,;-9.91,.39,;-9.91,1.93,;-8.58,2.7,;-7.24,1.93,;-7.24,.39,;-5.91,-.39,;-4.57,.39,;-4.57,1.93,;-3.24,2.7,;-5.91,2.7,;-3.24,-.39,;-3.24,-1.93,;-4.57,-2.7,;-4.57,-4.24,;-3.24,-5.01,;-1.91,-4.24,;-.44,-4.71,;.46,-3.47,;2,-3.47,;2.77,-4.8,;2.77,-2.13,;4.31,-2.13,;5.08,-3.47,;6.62,-3.47,;7.39,-2.13,;6.62,-.8,;5.08,-.8,;7.39,.54,;6.62,1.87,;8.93,.54,;9.7,-.8,;11.24,-.8,;12.58,-1.57,;12.58,-.03,;9.7,1.87,;10.47,3.2,;-.57,-1.93,;-.57,-.39,;-1.91,.39,;-1.91,1.93,;-1.91,-2.7,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(3.2,1.43,;1.72,1.02,;.62,2.1,;-.86,1.68,;-1.96,2.76,;-3.45,2.35,;-3.83,.86,;-5.32,.44,;-6.41,1.52,;-6.03,3.01,;-7.13,4.09,;-8.61,3.68,;-9.71,4.76,;-9.33,6.25,;-10.43,7.33,;-11.91,6.91,;-12.3,5.42,;-11.2,4.34,;-11.58,2.85,;-11.97,1.36,;-4.55,3.43,;-1.25,.19,;-.15,-.89,;1.33,-.47,;2.43,-1.55,;2.05,-3.04,;.57,-3.46,;.18,-4.95,;1.28,-6.03,;2.77,-5.61,;4.06,-6.44,;5.25,-5.46,;6.74,-5.84,;7.16,-7.33,;7.82,-4.74,;9.31,-5.13,;9.73,-6.61,;11.22,-7,;12.3,-5.9,;11.88,-4.41,;10.39,-4.03,;4.63,-3.71,;5.02,-2.22,;3.92,-1.14,;4.3,.35,;3.15,-4.12,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(10.75,-.98,;9.21,-.98,;8.44,-2.31,;6.9,-2.31,;6.13,-.98,;6.9,.36,;8.44,.36,;4.59,-.98,;3.82,-2.31,;4.59,-3.64,;2.28,-2.31,;1.38,-3.56,;-.09,-3.08,;-1.42,-3.85,;-2.75,-3.08,;-2.75,-1.54,;-1.42,-.77,;-1.42,.77,;-2.75,1.54,;-4.09,.77,;-5.42,1.54,;-5.42,3.08,;-6.75,3.85,;-8.09,3.08,;-9.42,3.85,;-10.75,3.08,;-10.75,1.54,;-9.42,.77,;-8.09,1.54,;-4.09,3.85,;-2.75,3.08,;-1.42,3.85,;-.09,1.54,;-.09,3.08,;1.25,.77,;1.25,-.77,;-.09,-1.54,)|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-7.24,2.1,;-8.58,1.33,;-9.91,2.1,;-11.24,1.33,;-12.58,2.1,;-12.58,3.64,;-11.24,4.41,;-9.91,3.64,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;11.24,-1.75,;12.58,-2.52,;12.58,-.98,;9.7,.92,;10.47,2.25,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:35.37,(.09,2.69,;-1.24,1.93,;-2.57,2.69,;-3.91,1.93,;-5.24,2.69,;-6.57,1.93,;-6.57,.38,;-7.91,-.38,;-9.24,.38,;-9.24,1.93,;-10.58,2.7,;-11.91,1.93,;-13.24,2.7,;-13.24,4.24,;-14.58,5.01,;-15.91,4.24,;-15.91,2.7,;-14.58,1.93,;-14.58,.38,;-14.58,-1.15,;-7.91,2.69,;-3.91,.38,;-2.57,-.38,;-1.24,.38,;.09,-.38,;.09,-1.93,;-1.24,-2.7,;-1.24,-4.24,;.09,-5.01,;1.43,-4.24,;2.89,-4.71,;3.8,-3.47,;5.34,-3.47,;6.11,-4.8,;6.11,-2.13,;7.65,-2.13,;8.42,-3.47,;9.96,-3.47,;10.73,-2.13,;9.96,-.8,;8.42,-.8,;10.73,.54,;9.96,1.87,;12.27,.54,;13.04,-.8,;14.58,-.8,;15.91,-1.57,;15.91,-.03,;13.04,1.87,;13.81,3.2,;2.76,-1.93,;2.76,-.38,;1.43,.38,;1.43,1.93,;1.43,-2.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.32,3.53,;-4.66,2.76,;-5.99,3.53,;-7.32,2.76,;-8.66,3.53,;-9.99,2.76,;-11.32,3.53,;-12.66,2.76,;-12.66,1.22,;-11.32,.45,;-9.99,1.22,;-7.32,1.22,;-5.99,.45,;-4.66,1.22,;-3.32,.45,;-3.32,-1.09,;-4.66,-1.86,;-4.66,-3.4,;-3.32,-4.17,;-1.99,-3.4,;-.5,-3.79,;.34,-2.5,;1.88,-2.5,;2.65,-3.84,;2.65,-1.17,;4.19,-1.17,;4.96,-2.5,;6.5,-2.5,;7.27,-1.17,;6.5,.16,;4.96,.16,;7.27,1.5,;6.5,2.83,;8.81,1.5,;9.58,.16,;11.12,.16,;11.89,-1.17,;11.89,1.5,;12.66,.16,;9.58,2.83,;10.35,4.17,;-.65,-1.09,;-.65,.45,;-1.99,1.22,;-1.99,2.76,;-1.99,-1.86,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-9.98,5,;-8.65,4.24,;-8.65,2.7,;-9.98,1.93,;-9.98,.39,;-8.65,-.38,;-7.32,.39,;-7.32,1.93,;-5.98,2.7,;-4.65,1.93,;-4.65,.39,;-3.32,-.38,;-1.98,.39,;-1.98,1.93,;-.65,2.7,;-3.32,2.7,;-.65,-.38,;-.65,-1.92,;-1.98,-2.69,;-1.98,-4.23,;-.65,-5,;.68,-4.23,;2.15,-4.71,;3.05,-3.46,;4.59,-3.46,;5.36,-4.8,;5.36,-2.13,;6.9,-2.13,;7.67,-3.46,;9.21,-3.46,;9.98,-2.13,;9.21,-.8,;7.67,-.8,;2.02,-1.92,;2.02,-.38,;.68,.39,;.68,1.93,;.68,-2.69,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C#N)c([nH]c1=O)c23 |(-2.19,4.41,;-3.52,3.64,;-4.86,4.41,;-6.19,3.64,;-7.52,4.41,;-8.86,3.64,;-10.19,4.41,;-11.52,3.64,;-11.52,2.1,;-10.19,1.33,;-8.86,2.1,;-6.19,2.1,;-4.86,1.33,;-3.52,2.1,;-2.19,1.33,;-2.19,-.21,;-3.52,-.98,;-3.52,-2.52,;-2.19,-3.29,;-.86,-2.52,;.61,-2.99,;1.51,-1.75,;3.05,-1.75,;3.82,-.41,;3.82,-3.08,;5.36,-3.08,;6.13,-4.41,;7.67,-4.41,;8.44,-3.08,;7.67,-1.75,;6.13,-1.75,;9.98,-3.08,;11.52,-3.08,;.48,-.21,;.48,1.33,;-.86,2.1,;-.86,3.64,;-.86,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |r,wD:25.26,(-.93,3.34,;-2.42,2.96,;-3.5,4.06,;-4.99,3.68,;-6.07,4.78,;-7.56,4.39,;-8.64,5.49,;-10.13,5.11,;-10.55,3.63,;-9.47,2.53,;-7.98,2.91,;-5.41,2.19,;-4.33,1.09,;-2.84,1.48,;-1.76,.37,;-2.18,-1.11,;-3.67,-1.49,;-4.08,-2.97,;-3,-4.08,;-1.51,-3.69,;-.23,-4.54,;.98,-3.59,;2.46,-4,;2.84,-5.49,;3.56,-2.92,;5.04,-3.34,;5.43,-4.83,;6.91,-5.24,;8.01,-4.17,;7.63,-2.68,;6.14,-2.26,;8.73,-1.6,;10.21,-2.01,;8.35,-.11,;9.45,.97,;10.55,2.05,;.39,-1.83,;.81,-.34,;-.27,.76,;.14,2.24,;-1.1,-2.21,)|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.21,4.13,;-4.54,3.36,;-5.88,4.13,;-7.21,3.36,;-7.21,1.82,;-8.55,1.05,;-9.88,1.82,;-9.88,3.36,;-11.21,4.13,;-12.55,3.36,;-12.55,1.82,;-11.21,1.05,;-5.88,1.05,;-4.54,1.82,;-3.21,1.05,;-3.21,-.49,;-4.54,-1.26,;-4.54,-2.8,;-3.21,-3.57,;-1.88,-2.8,;-.34,-2.8,;.43,-1.46,;1.97,-1.46,;2.74,-.13,;2.74,-2.8,;4.28,-2.8,;5.05,-4.13,;6.59,-4.13,;7.36,-2.8,;6.59,-1.46,;5.05,-1.46,;7.36,-.13,;6.59,1.2,;8.9,-.13,;9.67,-1.46,;11.21,-1.46,;12.55,-2.23,;12.55,-.69,;9.67,1.2,;10.44,2.54,;-.54,-.49,;-.54,1.05,;-1.88,1.82,;-1.88,3.36,;-1.88,-1.26,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C4CCCN4)c([nH]c1=O)c23 |r,wU:25.26,(-2.6,4.41,;-3.94,3.64,;-5.27,4.41,;-6.6,3.64,;-7.94,4.41,;-9.27,3.64,;-10.61,4.41,;-11.94,3.64,;-11.94,2.1,;-10.61,1.33,;-9.27,2.1,;-6.6,2.1,;-5.27,1.33,;-3.94,2.1,;-2.6,1.33,;-2.6,-.21,;-3.94,-.98,;-3.94,-2.52,;-2.6,-3.29,;-1.27,-2.52,;.19,-2.99,;1.1,-1.75,;2.64,-1.75,;3.41,-.41,;3.41,-3.08,;4.95,-3.08,;5.72,-4.41,;7.26,-4.41,;8.03,-3.08,;7.26,-1.75,;5.72,-1.75,;8.03,-.41,;7.26,.92,;9.57,-.41,;10.47,-1.66,;11.94,-1.18,;11.94,.36,;10.47,.83,;.06,-.21,;.06,1.33,;-1.27,2.1,;-1.27,3.64,;-1.27,-.98,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.24,4.41,;-4.57,3.64,;-5.91,4.41,;-7.24,3.64,;-8.58,4.41,;-9.91,3.64,;-11.24,4.41,;-12.58,3.64,;-12.58,2.1,;-11.24,1.33,;-9.91,2.1,;-7.24,2.1,;-5.91,1.33,;-4.57,2.1,;-3.24,1.33,;-3.24,-.21,;-4.57,-.98,;-4.57,-2.52,;-3.24,-3.29,;-1.91,-2.52,;-.44,-2.99,;.46,-1.75,;2,-1.75,;2.77,-.41,;2.77,-3.08,;4.31,-3.08,;5.08,-4.41,;6.62,-4.41,;7.39,-3.08,;6.62,-1.75,;5.08,-1.75,;7.39,-.41,;6.62,.92,;8.93,-.41,;9.7,-1.75,;11.24,-1.75,;12.58,-2.52,;12.58,-.98,;9.7,.92,;10.47,2.25,;-.57,-.21,;-.57,1.33,;-1.91,2.1,;-1.91,3.64,;-1.91,-.98,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-11.24,3.08,;-9.91,3.85,;-8.58,3.08,;-8.58,1.54,;-7.24,.77,;-5.91,1.54,;-5.91,3.08,;-4.57,3.85,;-7.24,3.85,;-4.57,.77,;-4.57,-.77,;-5.91,-1.54,;-5.91,-3.08,;-4.57,-3.85,;-3.24,-3.08,;-1.78,-3.56,;-.87,-2.31,;.67,-2.31,;1.44,-3.64,;1.44,-.98,;2.98,-.98,;3.75,-2.31,;5.29,-2.31,;6.06,-.98,;5.29,.36,;3.75,.36,;6.06,1.69,;5.29,3.02,;7.6,1.69,;8.37,3.02,;9.91,3.02,;11.24,3.79,;11.24,2.25,;8.37,.36,;9.14,-.98,;-1.91,-.77,;-1.91,.77,;-3.24,1.54,;-3.24,3.08,;-3.24,-1.54,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C=O)c([nH]c1=O)c23 |r,wD:25.26,(-.65,3.85,;-1.98,3.08,;-3.32,3.85,;-4.65,3.08,;-5.98,3.85,;-7.32,3.08,;-8.65,3.85,;-9.98,3.08,;-9.98,1.54,;-8.65,.77,;-7.32,1.54,;-4.65,1.54,;-3.32,.77,;-1.98,1.54,;-.65,.77,;-.65,-.77,;-1.98,-1.54,;-1.98,-3.08,;-.65,-3.85,;.68,-3.08,;2.15,-3.56,;3.05,-2.31,;4.59,-2.31,;5.36,-3.64,;5.36,-.98,;6.9,-.98,;7.67,-2.31,;9.21,-2.31,;9.98,-.98,;9.21,.36,;7.67,.36,;9.98,1.69,;9.21,3.02,;2.02,-.77,;2.02,.77,;.68,1.54,;.68,3.08,;.68,-1.54,)|
C=CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccn5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)CC#N)c([nH]c1=O)c23 |(-2.17,4.35,;-3.5,3.58,;-4.83,4.35,;-6.17,3.58,;-7.5,4.35,;-8.84,3.58,;-10.17,4.35,;-11.5,3.58,;-11.5,2.04,;-10.17,1.27,;-8.84,2.04,;-6.17,2.04,;-4.83,1.27,;-3.5,2.04,;-2.17,1.27,;-2.17,-.27,;-3.5,-1.04,;-3.5,-2.58,;-2.17,-3.35,;-.83,-2.58,;.65,-2.98,;1.49,-1.68,;3.03,-1.68,;3.8,-.35,;3.8,-3.02,;5.34,-3.02,;6.11,-4.35,;7.65,-4.35,;8.42,-3.02,;7.65,-1.68,;6.11,-1.68,;8.42,-.35,;7.65,.98,;9.96,-.35,;10.73,-1.68,;11.5,-3.02,;.5,-.27,;.5,1.27,;-.83,2.04,;-.83,3.58,;-.83,-1.04,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C#N)c([nH]c1=O)c23 |(-10.35,5.01,;-9.01,4.23,;-9.01,2.7,;-10.35,1.92,;-10.35,.39,;-9.01,-.39,;-7.68,.39,;-7.68,1.92,;-6.35,2.7,;-5.01,1.92,;-5.01,.39,;-3.68,-.39,;-2.35,.39,;-2.35,1.92,;-1.01,2.7,;-3.68,2.7,;-1.01,-.39,;-1.01,-1.92,;-2.35,-2.7,;-2.35,-4.23,;-1.01,-5.01,;.32,-4.23,;1.81,-4.63,;2.65,-3.34,;4.19,-3.34,;4.96,-4.68,;4.96,-2.01,;6.5,-2.01,;7.27,-3.34,;8.81,-3.34,;9.58,-2.01,;8.81,-.67,;7.27,-.67,;9.58,.66,;10.35,1.99,;1.66,-1.92,;1.66,-.39,;.32,.39,;.32,1.92,;.32,-2.7,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C#N)c([nH]c1=O)c23 |(-8.84,5,;-10.17,4.23,;-10.17,2.69,;-11.5,1.92,;-11.5,.39,;-10.17,-.39,;-8.84,.39,;-8.84,1.92,;-7.5,2.69,;-6.17,1.92,;-6.17,.39,;-4.83,-.39,;-3.5,.39,;-3.5,1.92,;-2.17,2.69,;-4.83,2.69,;-2.17,-.39,;-2.17,-1.92,;-3.5,-2.69,;-3.5,-4.23,;-2.17,-5,;-.83,-4.23,;.65,-4.63,;1.49,-3.34,;3.03,-3.34,;3.8,-4.68,;3.8,-2.01,;5.34,-2.01,;6.11,-3.34,;7.65,-3.34,;8.42,-2.01,;7.65,-.67,;6.11,-.67,;9.96,-2.01,;11.5,-2.01,;.5,-1.92,;.5,-.39,;-.83,.39,;-.83,1.92,;-.83,-2.69,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C=O)c([nH]c1=O)c23 |r,wU:25.26,(-.63,3.85,;-1.96,3.08,;-3.29,3.85,;-4.63,3.08,;-5.96,3.85,;-7.3,3.08,;-8.63,3.85,;-9.96,3.08,;-9.96,1.54,;-8.63,.77,;-7.3,1.54,;-4.63,1.54,;-3.29,.77,;-1.96,1.54,;-.63,.77,;-.63,-.77,;-1.96,-1.54,;-1.96,-3.08,;-.63,-3.85,;.71,-3.08,;2.19,-3.48,;3.03,-2.19,;4.57,-2.19,;5.34,-3.52,;5.34,-.85,;6.88,-.85,;7.65,-2.19,;9.19,-2.19,;9.96,-.85,;9.19,.48,;7.65,.48,;9.96,1.81,;9.19,3.15,;2.04,-.77,;2.04,.77,;.71,1.54,;.71,3.08,;.71,-1.54,)|
Cc1ccccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-5.89,4.35,;-7.22,3.58,;-8.55,4.35,;-9.89,3.58,;-9.89,2.04,;-8.55,1.27,;-7.22,2.04,;-5.89,1.27,;-5.89,-.27,;-7.22,-1.04,;-7.22,-2.58,;-5.89,-3.35,;-4.55,-2.58,;-3.07,-2.98,;-2.23,-1.68,;-.69,-1.68,;.08,-.35,;.08,-3.02,;1.62,-3.02,;2.39,-4.35,;3.93,-4.35,;4.7,-3.02,;3.93,-1.68,;2.39,-1.68,;4.7,-.35,;3.93,.98,;6.24,-.35,;7.01,.98,;8.55,.98,;9.89,.21,;9.89,1.75,;7.01,-1.68,;7.78,-3.02,;-3.22,-.27,;-3.22,1.27,;-4.55,2.04,;-4.55,3.58,;-4.55,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C#N)c([nH]c1=O)c23 |r,wD:25.26,(-1.01,3.85,;-2.35,3.08,;-3.68,3.85,;-5.01,3.08,;-6.35,3.85,;-7.68,3.08,;-9.01,3.85,;-10.35,3.08,;-10.35,1.54,;-9.01,.77,;-7.68,1.54,;-5.01,1.54,;-3.68,.77,;-2.35,1.54,;-1.01,.77,;-1.01,-.77,;-2.35,-1.54,;-2.35,-3.08,;-1.01,-3.85,;.32,-3.08,;1.81,-3.48,;2.65,-2.19,;4.19,-2.19,;4.96,-3.52,;4.96,-.85,;6.5,-.85,;7.27,-2.19,;8.81,-2.19,;9.58,-.85,;8.81,.48,;7.27,.48,;9.58,1.81,;10.35,3.15,;1.66,-.77,;1.66,.77,;.32,1.54,;.32,3.08,;.32,-1.54,)|
CC(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCNC4)c([nH]c1=O)c23 |(-.63,4.35,;-1.96,3.58,;-3.29,4.35,;-4.63,3.58,;-5.96,4.35,;-7.3,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.3,2.04,;-4.63,2.04,;-3.29,1.27,;-1.96,2.04,;-.63,1.27,;-.63,-.27,;-1.96,-1.04,;-1.96,-2.58,;-.63,-3.35,;.71,-2.58,;2.19,-2.98,;3.03,-1.68,;4.57,-1.68,;5.34,-.35,;5.34,-3.02,;6.88,-3.02,;7.65,-4.35,;9.19,-4.35,;9.96,-3.02,;9.19,-1.68,;7.65,-1.68,;2.04,-.27,;2.04,1.27,;.71,2.04,;.71,3.58,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C#N)c([nH]c1=O)c23 |(-1.01,4.35,;-2.35,3.58,;-3.68,4.35,;-5.01,3.58,;-6.35,4.35,;-7.68,3.58,;-9.01,4.35,;-10.35,3.58,;-10.35,2.04,;-9.01,1.27,;-7.68,2.04,;-5.01,2.04,;-3.68,1.27,;-2.35,2.04,;-1.01,1.27,;-1.01,-.27,;-2.35,-1.04,;-2.35,-2.58,;-1.01,-3.35,;.32,-2.58,;1.81,-2.98,;2.65,-1.68,;4.19,-1.68,;4.96,-.35,;4.96,-3.02,;6.5,-3.02,;7.27,-4.35,;8.81,-4.35,;9.58,-3.02,;8.81,-1.68,;7.27,-1.68,;9.58,-.35,;10.35,.98,;1.66,-.27,;1.66,1.27,;.32,2.04,;.32,3.58,;.32,-1.04,)|
CCC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,(11.12,.48,;10.35,1.81,;8.81,1.81,;8.04,3.15,;8.04,.48,;8.81,-.85,;8.04,-2.19,;6.5,-2.19,;5.73,-.85,;6.5,.48,;4.19,-.85,;3.42,-2.19,;4.19,-3.52,;1.88,-2.19,;1.04,-3.48,;-.45,-3.08,;-1.78,-3.85,;-3.12,-3.08,;-3.12,-1.54,;-1.78,-.77,;-1.78,.77,;-3.12,1.54,;-4.45,.77,;-5.78,1.54,;-5.78,3.08,;-7.12,3.85,;-8.45,3.08,;-9.78,3.85,;-11.12,3.08,;-11.12,1.54,;-9.78,.77,;-8.45,1.54,;-4.45,3.85,;-3.12,3.08,;-1.78,3.85,;-.45,1.54,;-.45,3.08,;.89,.77,;.89,-.77,;-.45,-1.54,)|
Cc1cc(Oc2cccc(COc3ccccc3C#N)c2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:35.37,(1.55,2.7,;.22,1.93,;-1.12,2.69,;-2.45,1.93,;-3.78,2.69,;-5.12,1.93,;-5.12,.38,;-6.45,-.38,;-7.78,.38,;-7.78,1.93,;-9.12,2.7,;-10.45,1.93,;-11.78,2.7,;-11.78,4.24,;-13.12,5.01,;-14.45,4.24,;-14.45,2.7,;-13.12,1.93,;-13.12,.39,;-13.12,-1.15,;-6.45,2.69,;-2.45,.38,;-1.12,-.38,;.22,.38,;1.55,-.38,;1.55,-1.92,;.22,-2.7,;.22,-4.23,;1.55,-5.01,;2.89,-4.23,;4.37,-4.63,;5.21,-3.34,;6.75,-3.34,;7.52,-4.68,;7.52,-2.01,;9.06,-2.01,;9.83,-3.34,;11.37,-3.34,;12.14,-2.01,;11.37,-.67,;9.83,-.67,;12.14,.66,;11.37,1.99,;13.68,.66,;14.45,-.67,;4.22,-1.92,;4.22,-.38,;2.89,.38,;2.89,1.93,;2.89,-2.7,)|
Cc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-1.22,3.2,;-2.55,2.43,;-3.89,3.2,;-5.22,2.43,;-5.22,.89,;-3.89,.12,;-2.55,.89,;-1.22,.12,;-1.22,-1.42,;-2.55,-2.19,;-2.55,-3.73,;-1.22,-4.5,;.12,-3.73,;1.6,-4.13,;2.44,-2.84,;3.98,-2.84,;4.75,-1.51,;4.75,-4.17,;6.29,-4.17,;7.06,-5.51,;8.6,-5.51,;9.37,-4.17,;8.6,-2.84,;7.06,-2.84,;9.37,-1.51,;8.6,-.17,;10.91,-1.51,;11.68,-2.84,;13.22,-2.84,;14.56,-3.61,;14.56,-2.07,;11.68,-.17,;12.45,1.16,;1.45,-1.42,;1.45,.12,;.12,.89,;.12,2.43,;.12,-2.19,;-6.55,3.2,;-6.55,4.74,;-7.89,2.43,;-9.22,3.2,;-10.55,2.43,;-11.89,3.2,;-11.89,4.74,;-10.55,5.51,;-9.22,4.74,;-13.22,2.43,;-14.56,3.2,;-13.22,.89,;-14.56,1.66,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-12.66,5.01,;-11.32,4.24,;-11.32,2.7,;-12.66,1.93,;-12.66,.39,;-11.32,-.39,;-9.99,.39,;-9.99,1.93,;-8.66,2.7,;-7.32,1.93,;-7.32,.39,;-5.99,-.39,;-4.66,.39,;-4.66,1.93,;-3.32,2.7,;-5.99,2.7,;-3.32,-.39,;-3.32,-1.93,;-4.66,-2.7,;-4.66,-4.24,;-3.32,-5.01,;-1.99,-4.24,;-.5,-4.63,;.34,-3.34,;1.88,-3.34,;2.65,-4.68,;2.65,-2.01,;4.19,-2.01,;4.96,-3.34,;6.5,-3.34,;7.27,-2.01,;6.5,-.67,;4.96,-.67,;7.27,.66,;6.5,1.99,;8.81,.66,;9.58,-.67,;11.12,-.67,;11.89,-2.01,;11.89,.66,;12.66,-.67,;9.58,1.99,;10.35,3.33,;-.65,-1.93,;-.65,-.39,;-1.99,.39,;-1.99,1.93,;-1.99,-2.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCCN(C4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.32,4.35,;-4.66,3.58,;-5.99,4.35,;-7.32,3.58,;-8.66,4.35,;-9.99,3.58,;-11.32,4.35,;-12.66,3.58,;-12.66,2.04,;-11.32,1.27,;-9.99,2.04,;-7.32,2.04,;-5.99,1.27,;-4.66,2.04,;-3.32,1.27,;-3.32,-.27,;-4.66,-1.04,;-4.66,-2.58,;-3.32,-3.35,;-1.99,-2.58,;-.5,-2.98,;.34,-1.69,;1.88,-1.69,;2.65,-.35,;2.65,-3.02,;4.19,-3.02,;4.96,-4.35,;6.5,-4.35,;7.27,-3.02,;6.5,-1.68,;4.96,-1.68,;7.27,-.35,;6.5,.98,;8.81,-.35,;9.58,-1.68,;11.12,-1.68,;11.89,-3.02,;11.89,-.35,;12.66,-1.68,;9.58,.98,;10.35,2.32,;-.65,-.27,;-.65,1.27,;-1.99,2.04,;-1.99,3.58,;-1.99,-1.04,)|
CN1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(9.96,-.35,;9.19,-1.68,;9.96,-3.02,;9.19,-4.35,;7.65,-4.35,;6.88,-3.02,;7.65,-1.68,;5.34,-3.02,;4.57,-1.69,;5.34,-.35,;3.03,-1.69,;2.19,-2.98,;.71,-2.58,;-.63,-3.35,;-1.96,-2.58,;-1.96,-1.04,;-.63,-.27,;-.63,1.27,;-1.96,2.04,;-3.29,1.27,;-4.63,2.04,;-4.63,3.58,;-5.96,4.35,;-7.29,3.58,;-8.63,4.35,;-9.96,3.58,;-9.96,2.04,;-8.63,1.27,;-7.29,2.04,;-3.29,4.35,;-1.96,3.58,;-.63,4.35,;.71,2.04,;.71,3.58,;2.04,1.27,;2.04,-.27,;.71,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.22,3.53,;-4.55,2.76,;-5.89,3.53,;-7.22,2.76,;-8.55,3.53,;-9.89,2.76,;-11.22,3.53,;-12.56,2.76,;-12.56,1.22,;-11.22,.45,;-9.89,1.22,;-7.22,1.22,;-5.89,.45,;-4.55,1.22,;-3.22,.45,;-3.22,-1.09,;-4.55,-1.86,;-4.55,-3.4,;-3.22,-4.17,;-1.89,-3.4,;-.4,-3.79,;.44,-2.5,;1.98,-2.5,;2.75,-3.84,;2.75,-1.17,;4.29,-1.17,;5.06,-2.5,;6.6,-2.5,;7.37,-1.17,;6.6,.16,;5.06,.16,;7.37,1.5,;6.6,2.83,;8.91,1.5,;9.68,.16,;11.22,.16,;12.56,-.61,;12.56,.93,;9.68,2.83,;10.45,4.17,;-.55,-1.09,;-.55,.45,;-1.89,1.22,;-1.89,2.76,;-1.89,-1.86,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN4CCCCC4)c([nH]c1=O)c23 |r,wU:25.26,(-4.09,4.04,;-5.42,3.27,;-6.76,4.04,;-8.09,3.27,;-9.43,4.04,;-10.76,3.27,;-12.09,4.04,;-13.43,3.27,;-13.43,1.73,;-12.09,.96,;-10.76,1.73,;-8.09,1.73,;-6.76,.96,;-5.42,1.73,;-4.09,.96,;-4.09,-.58,;-5.42,-1.35,;-5.42,-2.89,;-4.09,-3.66,;-2.76,-2.89,;-1.27,-3.29,;-.43,-2,;1.11,-2,;1.88,-.67,;1.88,-3.33,;3.42,-3.33,;4.19,-4.67,;5.73,-4.67,;6.5,-3.33,;5.73,-2,;4.19,-2,;6.5,-.67,;5.73,.67,;8.04,-.67,;8.81,.67,;10.35,.67,;11.12,2,;12.66,2,;13.43,3.33,;12.66,4.67,;11.12,4.67,;10.35,3.33,;-1.42,-.58,;-1.42,.96,;-2.76,1.73,;-2.76,3.27,;-2.76,-1.35,)|
Cc1c(Oc2ccccc2)cccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-5.66,-1.09,;-5.66,.45,;-6.99,1.22,;-8.32,.45,;-9.81,.85,;-10.21,2.34,;-11.7,2.74,;-12.79,1.65,;-12.39,.16,;-10.9,-.24,;-6.99,2.76,;-5.66,3.53,;-4.32,2.76,;-4.32,1.22,;-2.99,.45,;-2.99,-1.09,;-4.32,-1.86,;-4.32,-3.4,;-2.99,-4.17,;-1.65,-3.4,;-.17,-3.79,;.67,-2.5,;2.21,-2.5,;2.98,-3.84,;2.98,-1.17,;4.52,-1.17,;5.29,-2.5,;6.83,-2.5,;7.6,-1.17,;6.83,.16,;5.29,.16,;7.6,1.5,;6.83,2.83,;9.14,1.5,;9.91,.16,;11.45,.16,;12.79,-.61,;12.79,.93,;9.91,2.83,;10.68,4.17,;-.32,-1.09,;-.32,.45,;-1.65,1.22,;-1.65,2.76,;-1.65,-1.86,)|
Fc1cc(ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:18.18,(-1.89,2.69,;-3.22,1.92,;-4.55,2.69,;-5.89,1.92,;-5.89,.38,;-4.55,-.39,;-3.22,.38,;-1.89,-.39,;-1.89,-1.93,;-3.22,-2.7,;-3.22,-4.24,;-1.89,-5.01,;-.55,-4.24,;.94,-4.63,;1.77,-3.34,;3.31,-3.34,;4.08,-4.68,;4.08,-2.01,;5.62,-2.01,;6.39,-3.34,;7.93,-3.34,;8.7,-2.01,;7.93,-.67,;6.39,-.67,;8.7,.66,;7.93,1.99,;10.24,.66,;11.01,-.67,;12.55,-.67,;13.89,-1.44,;13.89,.1,;11.01,1.99,;11.78,3.33,;.78,-1.93,;.78,-.39,;-.55,.38,;-.55,1.92,;-.55,-2.7,;-7.22,2.69,;-7.22,4.23,;-8.55,1.92,;-9.89,2.7,;-11.22,1.92,;-12.55,2.7,;-12.55,4.24,;-11.22,5.01,;-9.89,4.24,;-13.89,1.93,;-15.22,2.7,;-13.89,.39,;-15.22,1.16,)|
CCC(=O)N1CCCC(C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(11.12,-1.68,;10.35,-.35,;8.81,-.35,;8.04,.98,;8.04,-1.68,;8.81,-3.02,;8.04,-4.35,;6.5,-4.35,;5.73,-3.02,;6.5,-1.68,;4.19,-3.02,;3.42,-1.68,;4.19,-.35,;1.88,-1.68,;1.04,-2.98,;-.45,-2.58,;-1.78,-3.35,;-3.12,-2.58,;-3.12,-1.04,;-1.78,-.27,;-1.78,1.27,;-3.12,2.04,;-4.45,1.27,;-5.78,2.04,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-4.45,4.35,;-3.12,3.58,;-1.78,4.35,;-.45,2.04,;-.45,3.58,;.89,1.27,;.89,-.27,;-.45,-1.04,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.69,3.85,;-5.02,3.08,;-6.36,3.85,;-7.69,3.08,;-9.03,3.85,;-10.36,3.08,;-11.69,3.85,;-13.03,3.08,;-13.03,1.54,;-11.69,.77,;-10.36,1.54,;-7.69,1.54,;-6.36,.77,;-5.02,1.54,;-3.69,.77,;-3.69,-.77,;-5.02,-1.54,;-5.02,-3.08,;-3.69,-3.85,;-2.36,-3.08,;-.87,-3.48,;-.03,-2.19,;1.51,-2.19,;2.28,-3.52,;2.28,-.85,;3.82,-.85,;4.72,-2.1,;6.19,-1.62,;6.19,-.08,;4.72,.39,;7.44,.82,;7.27,2.35,;8.84,.2,;10.09,1.1,;11.49,.47,;12.4,-.77,;13.03,.64,;9,-1.34,;9.4,-2.82,;-1.02,-.77,;-1.02,.77,;-2.36,1.54,;-2.36,3.08,;-2.36,-1.54,)|
ClCCC(=O)N1CCC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCCN(C)C4)c([nH]c1=O)c23 |(-9.96,5,;-8.63,4.23,;-8.63,2.69,;-9.96,1.92,;-9.96,.38,;-8.63,-.39,;-7.3,.38,;-7.3,1.92,;-5.96,2.69,;-4.63,1.92,;-4.63,.38,;-3.29,-.39,;-1.96,.38,;-1.96,1.92,;-.63,2.69,;-3.29,2.69,;-.63,-.39,;-.63,-1.93,;-1.96,-2.7,;-1.96,-4.24,;-.63,-5,;.71,-4.24,;2.19,-4.63,;3.03,-3.34,;4.57,-3.34,;5.34,-4.68,;5.34,-2.01,;6.88,-2.01,;7.65,-3.34,;9.19,-3.34,;9.96,-2.01,;9.19,-.67,;9.96,.66,;7.65,-.67,;2.04,-1.93,;2.04,-.39,;.71,.38,;.71,1.92,;.71,-2.7,)|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)CN4CCC4)c([nH]c1=O)c23 |r,wU:25.26,(-2.53,3.26,;-3.86,2.49,;-5.19,3.26,;-6.53,2.49,;-7.86,3.26,;-9.19,2.49,;-10.53,3.26,;-11.86,2.49,;-11.86,.95,;-10.53,.18,;-9.19,.95,;-6.53,.95,;-5.19,.18,;-3.86,.95,;-2.53,.18,;-2.53,-1.36,;-3.86,-2.13,;-3.86,-3.67,;-2.53,-4.44,;-1.19,-3.67,;.3,-4.07,;1.13,-2.78,;2.67,-2.78,;3.44,-4.11,;3.44,-1.45,;4.98,-1.45,;5.75,-2.78,;7.29,-2.78,;8.06,-1.45,;7.29,-.11,;5.75,-.11,;8.06,1.22,;7.29,2.56,;9.6,1.22,;10.37,2.56,;11.86,2.95,;11.46,4.44,;9.98,4.04,;.14,-1.36,;.14,.18,;-1.19,.95,;-1.19,2.49,;-1.19,-2.13,)|
O=C(NC1CCOCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CN1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)\C=C\CN(C)C)c([nH]c1=O)c23 |r,wU:22.22,(-11.04,2.04,;-11.04,3.58,;-12.38,4.35,;-9.71,4.35,;-8.38,3.58,;-8.38,2.04,;-7.04,1.27,;-5.71,2.04,;-5.71,3.58,;-4.37,4.35,;-7.04,4.35,;-4.37,1.27,;-4.37,-.27,;-5.71,-1.04,;-5.71,-2.58,;-4.37,-3.35,;-3.04,-2.58,;-1.55,-2.98,;-.71,-1.69,;.83,-1.69,;1.6,-.35,;1.6,-3.02,;3.14,-3.02,;3.91,-4.35,;5.45,-4.35,;6.22,-3.02,;5.45,-1.69,;3.91,-1.69,;6.22,-.35,;5.45,.98,;7.76,-.35,;8.53,.98,;10.07,.98,;10.84,2.32,;12.38,2.32,;10.07,3.65,;-1.71,-.27,;-1.71,1.27,;-3.04,2.04,;-3.04,3.58,;-3.04,-1.04,)|
O=C(N[C@@H]1CCN(C1)C(=O)c1ccccc1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cn4)c(=O)[nH]c1c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |(-3.32,4.35,;-4.66,3.58,;-5.99,4.35,;-7.32,3.58,;-8.66,4.35,;-9.99,3.58,;-11.32,4.35,;-12.66,3.58,;-12.66,2.04,;-11.32,1.27,;-9.99,2.04,;-7.32,2.04,;-5.99,1.27,;-4.66,2.04,;-3.32,1.27,;-3.32,-.27,;-4.66,-1.04,;-4.66,-2.58,;-3.32,-3.35,;-1.99,-2.58,;-.5,-2.98,;.34,-1.68,;1.88,-1.68,;2.65,-.35,;2.65,-3.02,;4.19,-3.02,;4.96,-4.35,;6.5,-4.35,;7.27,-3.02,;6.5,-1.68,;4.96,-1.68,;8.81,-3.02,;9.58,-4.35,;9.58,-1.68,;8.81,-.35,;9.58,.98,;10.91,1.75,;9.58,2.52,;11.12,-1.68,;12.66,-1.68,;-.65,-.27,;-.65,1.27,;-1.99,2.04,;-1.99,3.58,;-1.99,-1.04,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCNCC4)c([nH]c1=O)c23 |(-9.96,5.51,;-8.63,4.74,;-8.63,3.2,;-9.96,2.43,;-9.96,.89,;-8.63,.12,;-7.3,.89,;-7.3,2.43,;-5.96,3.2,;-4.63,2.43,;-4.63,.89,;-3.29,.12,;-1.96,.89,;-1.96,2.43,;-.63,3.2,;-3.29,3.2,;-.63,.12,;-.63,-1.42,;-1.96,-2.19,;-1.96,-3.73,;-.63,-4.5,;.71,-3.73,;2.19,-4.13,;3.03,-2.84,;4.57,-2.84,;5.34,-1.51,;5.34,-4.17,;6.88,-4.17,;7.65,-5.51,;9.19,-5.51,;9.96,-4.17,;9.19,-2.84,;7.65,-2.84,;2.04,-1.42,;2.04,.12,;.71,.89,;.71,2.43,;.71,-2.19,)|
COc1ccccc1Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)NC4CCN(C)CC4)c([nH]c1=O)c23 |(-8.07,5.01,;-9.4,4.24,;-9.4,2.7,;-10.73,1.93,;-10.73,.39,;-9.4,-.39,;-8.07,.39,;-8.07,1.93,;-6.73,2.7,;-5.4,1.93,;-5.4,.39,;-4.06,-.39,;-2.73,.39,;-2.73,1.93,;-1.4,2.7,;-4.06,2.7,;-1.4,-.39,;-1.4,-1.93,;-2.73,-2.7,;-2.73,-4.24,;-1.4,-5.01,;-.06,-4.24,;1.42,-4.63,;2.26,-3.34,;3.8,-3.34,;4.57,-4.68,;4.57,-2.01,;6.11,-2.01,;6.88,-3.34,;8.42,-3.34,;9.19,-2.01,;10.73,-2.01,;8.42,-.67,;6.88,-.67,;1.27,-1.93,;1.27,-.39,;-.06,.39,;-.06,1.93,;-.06,-2.7,)|
Cc1cc(OC2CCCC2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r,wU:24.25,(-.74,4.35,;-2.08,3.58,;-3.41,4.35,;-4.74,3.58,;-6.08,4.35,;-7.41,3.58,;-8.82,4.21,;-9.85,3.06,;-9.08,1.73,;-7.57,2.05,;-4.74,2.04,;-3.41,1.27,;-2.08,2.04,;-.74,1.27,;-.74,-.27,;-2.08,-1.04,;-2.08,-2.58,;-.74,-3.35,;.59,-2.58,;2.08,-2.98,;2.92,-1.68,;4.46,-1.68,;5.23,-.35,;5.23,-3.02,;6.77,-3.02,;7.54,-4.35,;9.08,-4.35,;9.85,-3.02,;9.08,-1.68,;7.54,-1.68,;1.93,-.27,;1.93,1.27,;.59,2.04,;.59,3.58,;.59,-1.04,)|
CN1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C(=C\C(C)(C)C)\C#N)c([nH]c1=O)c23 |(-3.66,4.4,;-4.99,3.63,;-6.32,4.4,;-7.66,3.63,;-8.99,4.4,;-10.32,3.63,;-11.66,4.4,;-12.99,3.63,;-12.99,2.09,;-11.66,1.32,;-10.32,2.09,;-7.66,2.09,;-6.32,1.32,;-4.99,2.09,;-3.66,1.32,;-3.66,-.22,;-4.99,-.99,;-4.99,-2.53,;-3.66,-3.3,;-2.32,-2.53,;-.83,-2.93,;0,-1.64,;1.54,-1.64,;2.31,-.31,;2.31,-2.97,;3.96,-2.97,;4.78,-4.4,;6.42,-4.4,;7.24,-2.97,;6.42,-1.55,;4.78,-1.55,;8.88,-2.97,;9.71,-4.4,;9.71,-1.55,;8.88,-.13,;9.71,1.29,;8.88,2.72,;11.35,1.29,;10.53,2.72,;11.35,-1.55,;12.99,-1.55,;-.99,-.22,;-.99,1.32,;-2.32,2.09,;-2.32,3.63,;-2.32,-.99,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)nc4)c(=O)[nH]c1c23 |r|
CNCC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(OC(C)C)cc4C)c(=O)[nH]c1c23 |r,wU:9.11,(11.22,.98,;9.68,.98,;8.91,-.35,;7.37,-.35,;6.6,.98,;6.6,-1.68,;7.37,-3.02,;6.6,-4.35,;5.06,-4.35,;4.29,-3.02,;5.06,-1.68,;2.75,-3.02,;1.98,-1.68,;2.75,-.35,;.44,-1.68,;-.4,-2.98,;-1.89,-2.58,;-3.22,-3.35,;-4.55,-2.58,;-4.55,-1.04,;-3.22,-.27,;-3.22,1.27,;-4.55,2.04,;-5.89,1.27,;-7.22,2.04,;-7.22,3.58,;-8.55,4.35,;-9.89,3.58,;-9.89,2.04,;-11.22,4.35,;-5.89,4.35,;-4.55,3.58,;-3.22,4.35,;-1.89,2.04,;-1.89,3.58,;-.55,1.27,;-.55,-.27,;-1.89,-1.04,)|
CC(=O)N1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NC1CCNCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCNCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)C=C)c([nH]c1=O)c23 |(-2.44,4.31,;-3.77,3.54,;-5.11,4.31,;-6.44,3.54,;-7.78,4.31,;-9.11,3.54,;-10.44,4.31,;-11.78,3.54,;-11.78,2,;-10.44,1.23,;-9.11,2,;-6.44,2,;-5.11,1.23,;-3.77,2,;-2.44,1.23,;-2.44,-.31,;-3.77,-1.08,;-3.77,-2.62,;-2.44,-3.39,;-1.11,-2.62,;.33,-2.88,;1,-1.64,;2.54,-1.64,;3.31,-.31,;3.31,-2.98,;4.85,-2.98,;5.62,-4.31,;7.16,-4.31,;7.93,-2.98,;7.16,-1.64,;5.62,-1.64,;9.47,-2.98,;10.24,-1.64,;10.24,-4.31,;11.78,-4.31,;.23,-.31,;.23,1.23,;-1.11,2,;-1.11,3.54,;-1.11,-1.08,)|
CN1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
O=C(NCCN1CCCCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
O=C(NCCN1CCOCC1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23
CN1CCN(CCNC(=O)c2sc3nccc4n(-c5ccc(Oc6ccccc6)cc5)c(=O)[nH]c2c34)CC1
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(C)=O)c([nH]c1=O)c23 |r,wU:22.22,(-8.62,2,;-8.62,3.54,;-9.95,4.31,;-7.29,4.31,;-5.95,3.54,;-5.95,2,;-4.62,1.23,;-3.29,2,;-3.29,3.54,;-1.95,4.31,;-4.62,4.31,;-1.95,1.23,;-1.95,-.31,;-3.29,-1.08,;-3.29,-2.62,;-1.95,-3.39,;-.62,-2.62,;.82,-2.88,;1.48,-1.64,;3.02,-1.64,;3.79,-.31,;3.79,-2.98,;5.33,-2.98,;6.1,-4.31,;7.64,-4.31,;8.41,-2.98,;7.64,-1.64,;6.1,-1.64,;8.41,-.31,;9.95,-.31,;7.64,1.02,;.71,-.31,;.71,1.23,;-.62,2,;-.62,3.54,;-.62,-1.08,)|
O=C(N[C@@H]1CCCNC1)c1sc2nccc3n(-c4cccc(c4)-c4cccnc4)c(=O)[nH]c1c23 |r|
Cc1ccc(Oc2ccccc2)cc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-3.11,3.49,;-4.44,2.72,;-5.78,3.49,;-7.11,2.72,;-7.11,1.18,;-8.44,.41,;-9.78,1.18,;-9.78,2.72,;-11.11,3.49,;-12.44,2.72,;-12.44,1.18,;-11.11,.41,;-5.78,.41,;-4.44,1.18,;-3.11,.41,;-3.11,-1.13,;-4.44,-1.9,;-4.44,-3.44,;-3.11,-4.21,;-1.77,-3.44,;-.33,-3.7,;.33,-2.46,;1.87,-2.46,;2.64,-3.79,;2.64,-1.13,;4.18,-1.13,;4.95,-2.46,;6.49,-2.46,;7.26,-1.13,;6.49,.21,;4.95,.21,;7.26,1.54,;6.49,2.87,;8.8,1.54,;9.57,.21,;11.11,.21,;12.44,-.56,;12.44,.98,;9.57,2.87,;10.34,4.21,;-.44,-1.13,;-.44,.41,;-1.77,1.18,;-1.77,2.72,;-1.77,-1.9,)|
O=C(N[C@H]1CCCN(C1)C(=O)C(=C\C1CC1)\C#N)c1sc2nccc3n(-c4cccc(Oc5ccccc5)c4)c(=O)[nH]c1c23 |r|
O=C(N[C@H]1CCN(C1)C(=O)c1ccccc1)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r|
Clc1cc(Cl)cc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1ccccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wU:18.18,(-9.05,.63,;-8.65,2.12,;-9.74,3.21,;-9.34,4.69,;-7.86,5.09,;-6.77,4,;-7.16,2.51,;-6.08,1.43,;-6.08,-.11,;-7.41,-.88,;-7.41,-2.42,;-6.08,-3.19,;-4.74,-2.42,;-3.28,-2.9,;-2.37,-1.65,;-.83,-1.65,;-.06,-2.99,;-.06,-.32,;1.48,-.32,;2.25,1.01,;3.79,1.01,;4.56,-.32,;3.79,-1.65,;2.25,-1.65,;4.56,-2.99,;3.79,-4.32,;6.1,-2.99,;6.87,-4.32,;8.41,-4.32,;9.74,-5.09,;9.74,-3.55,;6.87,-1.65,;7.64,-.32,;-3.41,-.11,;-3.41,1.43,;-4.74,2.2,;-4.74,3.74,;-4.74,-.88,)|
CN(C)c1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CCN(CC4)C(=O)CC#N)c([nH]c1=O)c23 |(-3.34,4.41,;-4.68,3.64,;-6.01,4.41,;-7.34,3.64,;-8.68,4.41,;-10.01,3.64,;-11.35,4.41,;-12.68,3.64,;-12.68,2.1,;-11.35,1.33,;-10.01,2.1,;-7.34,2.1,;-6.01,1.33,;-4.68,2.1,;-3.34,1.33,;-3.34,-.21,;-4.68,-.98,;-4.68,-2.52,;-3.34,-3.29,;-2.01,-2.52,;-.55,-2.99,;.36,-1.75,;1.9,-1.75,;2.67,-.41,;2.67,-3.08,;4.21,-3.08,;4.98,-4.41,;6.52,-4.41,;7.29,-3.08,;6.52,-1.75,;4.98,-1.75,;8.83,-3.08,;9.6,-1.75,;9.6,-4.41,;11.14,-4.41,;12.68,-4.41,;-.68,-.21,;-.68,1.33,;-2.01,2.1,;-2.01,3.64,;-2.01,-.98,)|
COc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:20.20,(-11.24,3.64,;-9.91,4.41,;-8.58,3.64,;-8.58,2.1,;-7.24,1.33,;-5.91,2.1,;-5.91,3.64,;-4.57,4.41,;-7.24,4.41,;-4.57,1.33,;-4.57,-.21,;-5.91,-.98,;-5.91,-2.52,;-4.57,-3.29,;-3.24,-2.52,;-1.78,-2.99,;-.87,-1.75,;.67,-1.75,;1.44,-.41,;1.44,-3.08,;2.98,-3.08,;3.75,-4.41,;5.29,-4.41,;6.06,-3.08,;5.29,-1.75,;3.75,-1.75,;6.06,-.41,;5.29,.92,;7.6,-.41,;8.37,-1.75,;9.91,-1.75,;11.24,-2.52,;11.24,-.98,;8.37,.92,;9.14,2.25,;-1.91,-.21,;-1.91,1.33,;-3.24,2.1,;-3.24,3.64,;-3.24,-.98,)|
CCC(=O)N1CCC(CC1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |(11.91,-4.41,;10.37,-4.41,;9.6,-3.08,;10.37,-1.75,;8.06,-3.08,;7.29,-4.41,;5.75,-4.41,;4.98,-3.08,;5.75,-1.75,;7.29,-1.75,;3.44,-3.08,;2.67,-1.75,;3.44,-.41,;1.13,-1.75,;.22,-2.99,;-1.24,-2.52,;-2.57,-3.29,;-3.91,-2.52,;-3.91,-.98,;-2.57,-.21,;-2.57,1.33,;-3.91,2.1,;-5.24,1.33,;-6.57,2.1,;-6.57,3.64,;-7.91,4.41,;-9.24,3.64,;-10.58,4.41,;-11.91,3.64,;-11.91,2.1,;-10.58,1.33,;-9.24,2.1,;-5.24,4.41,;-3.91,3.64,;-2.57,4.41,;-1.24,2.1,;-1.24,3.64,;.09,1.33,;.09,-.21,;-1.24,-.98,)|
Nc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r|
CN(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1cccc(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Clc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Fc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)(C)c1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
CC(C)Oc1ccc(cc1C)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Nc1ccc(cc1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCNC4)c([nH]c1=O)c23 |r|
Cc1c(Oc2ccccc2)cccc1-n1c2ccnc3sc(C(=O)N[C@H]4CCCN(C4)C(=O)C(=C\C4CC4)\C#N)c([nH]c1=O)c23 |r,wD:25.26,(-5.91,-1.02,;-5.91,.52,;-7.24,1.29,;-8.58,.52,;-9.91,1.29,;-11.24,.52,;-12.58,1.29,;-12.58,2.83,;-11.24,3.6,;-9.91,2.83,;-7.24,2.83,;-5.91,3.6,;-4.57,2.83,;-4.57,1.29,;-3.24,.52,;-3.24,-1.02,;-4.57,-1.79,;-4.57,-3.33,;-3.24,-4.1,;-1.91,-3.33,;-.44,-3.81,;.46,-2.56,;2,-2.56,;2.77,-3.9,;2.77,-1.23,;4.31,-1.23,;5.08,-2.56,;6.62,-2.56,;7.39,-1.23,;6.62,.1,;5.08,.1,;7.39,1.44,;6.62,2.77,;8.93,1.44,;9.7,.1,;11.24,.1,;12.58,-.67,;12.58,.87,;9.7,2.77,;10.47,4.1,;-.57,-1.02,;-.57,.52,;-1.91,1.29,;-1.91,2.83,;-1.91,-1.79,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCNC4)c([nH]c1=O)c23 |r,wD:22.22,(-7.63,2.06,;-7.63,3.6,;-8.96,4.37,;-6.3,4.37,;-4.96,3.6,;-3.63,4.37,;-2.29,3.6,;-.96,4.37,;-2.29,2.06,;-3.63,1.29,;-4.96,2.06,;-.96,1.29,;-.96,-.25,;-2.29,-1.02,;-2.29,-2.56,;-.96,-3.33,;.37,-2.56,;1.84,-3.04,;2.74,-1.79,;4.28,-1.79,;5.05,-.46,;5.05,-3.12,;6.59,-3.12,;7.5,-1.88,;8.96,-2.35,;8.96,-3.89,;7.5,-4.37,;1.71,-.25,;1.71,1.29,;.37,2.06,;.37,3.6,;.37,-1.02,)|
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-9.46,3.11,;-9.46,4.65,;-10.8,5.42,;-8.13,5.42,;-6.79,4.65,;-5.46,5.42,;-4.13,4.65,;-2.79,5.42,;-4.13,3.11,;-5.46,2.34,;-6.79,3.11,;-2.79,2.34,;-2.79,.8,;-4.13,.03,;-4.13,-1.51,;-2.79,-2.28,;-1.46,-1.51,;.01,-1.99,;.91,-.74,;2.45,-.74,;3.22,.59,;3.22,-2.07,;4.76,-2.07,;5.67,-.83,;7.13,-1.3,;7.13,-2.84,;5.67,-3.32,;8.22,-3.93,;7.82,-5.42,;9.71,-3.53,;10.8,-4.62,;-.13,.8,;-.13,2.34,;-1.46,3.11,;-1.46,4.65,;-1.46,.03,)|
Cc1nc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.41,5.1,;-3.6,4.35,;-4.94,5.12,;-6.27,4.35,;-7.6,5.12,;-8.94,4.35,;-8.94,2.81,;-10.27,2.04,;-11.61,2.81,;-11.61,4.35,;-10.27,5.12,;-6.27,2.81,;-4.94,2.04,;-3.6,2.81,;-2.27,2.04,;-2.27,.5,;-3.6,-.27,;-3.6,-1.81,;-2.27,-2.58,;-.94,-1.81,;.55,-2.2,;1.49,-.58,;3.03,-.58,;3.8,.75,;3.8,-1.92,;5.34,-1.92,;6.24,-.67,;7.71,-1.15,;7.71,-2.69,;6.24,-3.16,;8.95,-3.59,;8.79,-5.12,;10.36,-2.97,;11.61,-3.87,;.4,.5,;.4,2.04,;-.94,2.81,;-.94,4.35,;-.94,-.27,)|
Cc1nc(Oc2cccnn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.97,4.17,;-3.16,3.42,;-4.5,4.19,;-5.83,3.42,;-7.17,4.19,;-8.5,3.42,;-8.5,1.88,;-9.83,1.11,;-11.17,1.88,;-11.17,3.42,;-9.83,4.19,;-5.83,1.88,;-4.5,1.11,;-3.16,1.88,;-1.83,1.11,;-1.83,-.43,;-3.16,-1.2,;-3.16,-2.74,;-1.83,-3.51,;-.5,-2.74,;.99,-3.14,;1.93,-1.52,;3.47,-1.52,;4.24,-.19,;4.24,-2.85,;5.78,-2.85,;6.55,-4.19,;8.09,-4.19,;8.86,-2.85,;8.09,-1.52,;6.55,-1.52,;8.86,-.19,;8.09,1.15,;10.4,-.19,;11.17,-1.52,;.84,-.43,;.84,1.11,;-.5,1.88,;-.5,3.42,;-.5,-1.2,)|