59 SMILES Strings for Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]

Compound Name
SMILES String
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(5.54,-10.9,;5.54,-9.36,;6.87,-8.59,;6.87,-7.05,;5.54,-6.28,;4.21,-7.05,;4.21,-8.59,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
[H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1 |r,wU:10.12,wD:8.8,(5.92,2,;4.58,1.23,;4.58,-.31,;3.25,-1.08,;1.91,-.31,;1.91,1.23,;3.25,2,;.58,-1.08,;-.75,-.31,;-1.52,1.03,;-2.29,-.31,;-3.63,-1.08,;-5.09,-.6,;-6,-1.85,;-5.09,-3.09,;-3.63,-2.62,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cccnc1 |r,wU:10.12,wD:8.8,(6.06,2.15,;4.73,1.38,;4.73,-.16,;3.4,-.93,;2.06,-.16,;2.06,1.38,;3.4,2.15,;.73,-.93,;-.6,-.16,;-1.37,1.17,;-2.14,-.16,;-3.48,-.93,;-4.81,-.16,;-6.14,-.93,;-6.14,-2.47,;-4.81,-3.24,;-3.48,-2.47,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-1.37,.22,;-2.71,-.55,;-4.04,.22,;-4.04,1.76,;-2.71,2.53,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.42,;8.11,2.65,;8.11,1.11,;6.77,.34,;5.44,1.11,;5.44,2.65,;6.77,3.42,;4.1,.34,;2.77,1.11,;2,2.44,;1.23,1.11,;-.1,.34,;-.1,-1.2,;-1.44,-1.97,;-2.77,-1.2,;-4.1,-1.97,;-5.44,-1.2,;-6.77,-1.97,;-8.11,-1.2,;-9.44,-1.97,;-9.44,-3.51,;-8.11,-4.28,;-6.77,-3.51,;-2.77,.34,;-1.44,1.11,)|
CC1(N)CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.21,1.64,;4.67,1.64,;5.44,2.98,;4.67,.1,;3.33,-.67,;2,.1,;2,1.64,;3.33,2.41,;.67,-.67,;-.67,.1,;-1.44,1.44,;-2.21,.1,;-3.54,-.67,;-3.54,-2.21,;-4.87,-2.98,;-6.21,-2.21,;-6.21,-.67,;-4.87,.1,)|
NCC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.93,;5.44,2.7,;4.1,1.93,;4.1,.39,;2.77,-.38,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
NC1CCCC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r|
NC1CC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:8.10,wD:6.6,(5.71,2.47,;4.38,1.7,;3.98,.21,;2.49,.61,;2.89,2.1,;1.16,-.16,;-.17,.61,;-.94,1.94,;-1.71,.61,;-3.05,-.16,;-3.05,-1.7,;-4.38,-2.47,;-5.71,-1.7,;-5.71,-.16,;-4.38,.61,)|
NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12 |r|
NC1CCC(CC1)N[C@@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,8.8,(6.1,2.69,;4.77,1.93,;4.77,.39,;3.44,-.39,;2.1,.39,;2.1,1.93,;3.44,2.7,;.77,-.38,;-.56,.39,;-1.33,1.72,;-2.1,.39,;-3.44,-.39,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-6.1,-.39,;-4.77,.38,)|
CNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.92,;5.44,2.69,;4.1,1.93,;4.1,.39,;2.77,-.39,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
CC(C)(C)OC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:17.19,wD:15.15,(8.77,2.69,;7.44,1.92,;7.44,.38,;8.77,1.15,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
CCNC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.17,wD:13.13,(8.77,2.69,;7.44,1.92,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
C1[C@H](NC2CCC(CC2)N2CCOCC2)[C@H]1c1ccccc1 |r,wU:15.18,wD:1.1,(-2.67,.56,;-1.9,-.77,;-.56,-1.54,;.77,-.77,;2.1,-1.54,;3.44,-.77,;3.44,.77,;2.1,1.54,;.77,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;6.1,3.85,;4.77,3.08,;-3.44,-.77,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r,wU:10.12,wD:8.8,(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
Cc1ccccc1C1CC1NC1CCC(N)CC1 |(-2.1,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-6.1,-.38,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,)|
NC1CCC(CC1)NC1CC1c1ccc(cc1)C(F)(F)F |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-2.77,-1.93,;-4.1,-2.69,;-5.44,-1.93,;-5.44,-.38,;-4.1,.38,;-6.77,-2.69,;-8.11,-1.92,;-7.86,-3.78,;-6.37,-4.18,)|
COc1ccc(cc1)C1CC1NC1CCC(N)CC1 |(-7.44,-1.93,;-6.1,-2.69,;-4.77,-1.93,;-4.77,-.38,;-3.44,.38,;-2.1,-.38,;-2.1,-1.93,;-3.44,-2.69,;-.77,.38,;,1.72,;.77,.38,;2.1,-.38,;3.44,.38,;4.77,-.39,;6.1,.38,;6.1,1.92,;7.44,2.69,;4.77,2.69,;3.44,1.92,)|
NC1CCC(CC1)NC1CC1c1ccc(O)cc1 |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
NC1CCC(CC1)NC1CC1c1ccccc1F |(6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,-.39,;2.1,.38,;2.1,1.92,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,;-2.1,-2.69,)|
NC1CCC(CC1)NC1CC1c1ccc(F)c(F)c1 |(6.77,3.46,;5.44,2.69,;5.44,1.15,;4.1,.38,;2.77,1.15,;2.77,2.69,;4.1,3.46,;1.44,.38,;.1,1.15,;-.67,2.49,;-1.44,1.15,;-2.77,.38,;-4.1,1.15,;-5.44,.38,;-5.44,-1.16,;-6.77,-1.93,;-4.1,-1.93,;-4.1,-3.46,;-2.77,-1.16,)|
NC1CCC(CC1)NC1CC1c1ccc2ccccc2c1 |(6.77,3.85,;5.44,3.08,;5.44,1.54,;4.1,.77,;2.77,1.54,;2.77,3.08,;4.1,3.85,;1.44,.77,;.1,1.54,;-.67,2.87,;-1.44,1.54,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-5.44,-.77,;-6.77,-1.54,;-6.77,-3.08,;-5.44,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-2.77,-.77,)|
CC1(CC1NC1CCC(N)CC1)c1ccccc1 |(-3.44,1.15,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:15.18,wD:13.14,1.0,(10.17,5.25,;9.4,3.92,;9.87,2.45,;8.63,1.55,;7.38,2.45,;7.86,3.92,;6.05,1.68,;6.05,.14,;4.71,-.63,;3.38,.14,;3.38,1.68,;4.71,2.45,;2.04,-.63,;.71,.14,;-.06,1.47,;-.83,.14,;-2.16,-.63,;-2.16,-2.17,;-3.5,-2.94,;-4.83,-2.17,;-4.83,-.63,;-3.5,.14,;-6.16,-2.94,;-6.16,-4.48,;-7.5,-5.25,;-8.83,-4.48,;-8.83,-2.94,;-7.5,-2.17,;-10.17,-2.17,;-11.71,-2.17,;-10.17,-.63,;-9.08,-1.08,)|
N[C@H]1CC[C@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,4.7,1.0,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,1.0,wD:8.8,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,4.7,1.0,wD:10.12,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,1.0,wD:10.12,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r,wU:10.12,wD:8.8,(8.11,3.85,;6.77,3.08,;6.77,1.54,;5.44,.77,;4.1,1.54,;4.1,3.08,;5.44,3.85,;2.77,.77,;1.44,1.54,;.67,2.87,;-.1,1.54,;-1.44,.77,;-1.44,-.77,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-2.77,1.54,;-5.44,-1.54,;-6.77,-.77,;-8.11,-1.54,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1 |r,wU:10.12,wD:8.8,(7.96,3.7,;6.62,2.93,;6.62,1.39,;5.29,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;2.62,.62,;1.29,1.39,;.52,2.73,;-.25,1.39,;-1.59,.62,;-1.59,-.92,;-2.92,-1.69,;-4.25,-.92,;-4.25,.62,;-2.92,1.39,;-5.59,-1.69,;-7.05,-1.21,;-7.96,-2.46,;-7.05,-3.7,;-5.59,-3.23,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)C#N |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;-2.31,2.84,;-2.31,1.3,;-.97,.53,;.36,1.3,;.36,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;2.46,-5.42,;2.46,-6.96,;1.13,-7.73,;1.13,-9.27,;-.2,-6.96,;-.2,-5.42,;-3.64,8.23,;-4.98,9,)|
Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:14.15,wD:16.19,(-8.77,-3.08,;-7.44,-2.31,;-7.44,-.77,;-6.1,,;-4.77,-.77,;-4.77,-2.31,;-6.1,-3.08,;-6.1,-4.62,;-3.44,,;-3.44,1.54,;-2.1,2.31,;-.77,1.54,;-.77,,;-2.1,-.77,;.56,2.31,;1.33,3.64,;2.1,2.31,;3.44,1.54,;4.77,2.31,;6.1,1.54,;7.44,2.31,;7.44,3.85,;8.77,4.62,;6.1,4.62,;4.77,3.85,)|
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(10.95,4.7,;9.61,3.93,;9.61,2.39,;8.28,1.62,;6.94,2.39,;6.94,3.93,;8.28,4.7,;5.61,1.62,;4.28,2.39,;3.51,3.73,;2.74,2.39,;1.4,1.62,;.16,2.53,;-1.09,1.62,;-.61,.16,;.93,.16,;-1.7,-.93,;-1.3,-2.42,;-2.39,-3.51,;-3.88,-3.11,;-4.28,-1.62,;-5.61,-.85,;-6.94,-1.62,;-7.71,-.29,;-6.17,-2.96,;-8.28,-2.39,;-8.28,-3.93,;-9.61,-4.7,;-10.95,-3.93,;-10.95,-2.39,;-9.61,-1.57,;-9.61,-.03,;-9.61,1.51,;-3.19,-.53,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(11.52,3.85,;10.18,3.08,;10.18,1.54,;8.85,.77,;7.52,1.54,;7.52,3.08,;8.85,3.85,;6.18,.77,;4.85,1.54,;4.08,2.87,;3.31,1.54,;1.98,.77,;.64,1.54,;-.69,.77,;-.69,-.77,;.64,-1.54,;1.98,-.77,;-2.03,-1.54,;-2.03,-3.08,;-3.36,-3.85,;-4.69,-3.08,;-4.69,-1.54,;-6.18,-.64,;-7.52,.13,;-6.75,1.47,;-8.29,1.47,;-8.85,-.64,;-8.85,-2.18,;-10.18,-2.95,;-11.52,-2.18,;-11.52,-.64,;-10.18,.13,;-10.18,1.67,;-10.18,3.21,;-3.36,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,wD:8.8,(12.2,3.85,;10.87,3.08,;10.87,1.54,;9.54,.77,;8.2,1.54,;8.2,3.08,;9.54,3.85,;6.87,.77,;5.53,1.54,;4.76,2.87,;3.99,1.54,;2.66,.77,;1.33,1.54,;-.01,.77,;-.01,-.77,;1.33,-1.54,;2.66,-.77,;-1.34,-1.54,;-1.34,-3.08,;-2.67,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.34,-.77,;-6.87,-1.64,;-6.1,-2.97,;-7.64,-2.97,;-8.2,-.87,;-8.2,.67,;-9.54,1.44,;-10.87,.67,;-12.2,1.44,;-10.87,-.87,;-9.54,-1.64,;-2.67,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;.56,1.54,;-.77,.77,;-.77,-.77,;.56,-1.54,;1.9,-.77,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-6.67,-2.87,;-8.21,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@]1(F)c1ccccc1 |r,wD:8.8,10.12,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@]1(F)c1ccccc1 |r,wU:10.12,wD:8.8,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccnc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-2.77,.77,;-1.44,1.54,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)|
Cc1cccc(CNc2ccc(cn2)[C@H]2C[C@@H]2NC2CCC(N)CC2)c1 |r,wU:14.14,wD:16.18,(-10.11,-.77,;-8.77,-1.54,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-6.1,-1.54,;-4.77,-.77,;-3.44,-1.54,;-2.1,-.77,;-2.1,.77,;-.77,1.54,;.56,.77,;.56,-.77,;-.77,-1.54,;1.9,1.54,;2.67,2.87,;3.44,1.54,;4.77,.77,;6.1,1.54,;7.44,.77,;8.77,1.54,;8.77,3.08,;10.11,3.85,;7.44,3.85,;6.1,3.08,;-7.44,-.77,)|
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(c2)C#N)nc1 |r,wU:10.12,wD:8.8,(8.77,2.31,;7.44,1.54,;7.44,,;6.1,-.77,;4.77,,;4.77,1.54,;6.1,2.31,;3.44,-.77,;2.1,,;1.33,1.33,;.56,,;-.77,-.77,;-2.1,,;-3.44,-.77,;-3.44,-2.31,;-4.77,-3.08,;-6.1,-2.31,;-7.44,-3.08,;-8.77,-2.31,;-8.77,-.77,;-7.44,.06,;-6.1,-.77,;-7.44,1.6,;-7.44,3.14,;-2.1,-3.08,;-.77,-2.31,)|